A0A087YFF4_POEFO Loading...

CWF19-like protein 1

AlphaFold DB , UniProt , Accession A0A087YFF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 551 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
1M35.7Very low79.6Confident237 Ų23765.5 Ų65.5100%1.16736%0.363SS*.  0123.50-80.4171.1169.300106.2
2G41.4Very low81Confident75 Ų7560 Ų6077%0.77333%0.333SS*.  trans-63.2135-177.800000111.2Q4G2-Q4 PolarHBondContact O-N 3.48Å
3D61.4Low82.1Confident106 Ų10655.7 Ų55.757%0.56731%0.309SS*.  trans-67.2116-175-68.4-44.3000111S249D3-S249 WeakPolarHBondContact OD2-CB 3.27Å
4Q73.2Confident83.1Confident173 Ų17351.7 Ų51.781%0.80829%0.287SS*.PPolyproline II helixtrans-74.8133.8-178.2-73.8-171.3-15.200111.2G2G2-Q4 PolarHBondContact O-N 3.48Å
5P87.1Confident83.9Confident65 Ų6554.1 Ų54.142%0.42230%0.295SS..PPolyproline II helixtrans-69137.6175.428.4-33.5000111N243 V245P5-N243 HydrophobicContact CB-CB 4.27Å; P5-V245 HydrophobicContact CB-CG2 3.97Å
6V93Very high84.5Confident8 Ų851 Ų515%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-80.8129.8174.2-172.30000109V8 D36 L37 S108 L110 N243 I244 P246V6-V8 HydrophobicContact CG1-CG2 3.92Å; V6-D36 WeakPolarHBondContact CA-OD2 3.36Å; V6-D36 HydrophobicContact CG1-CB 3.94Å; V6-L37 HydrophobicContact CG1-CD2 4.04Å; V6-S108 WeakPolarHBondContact CG2-OG 3.33Å; V6-L110 HydrophobicContact CG1-CD2 4.19Å; V6-N243 CarbonylContact O-C 3.44Å; V6-N243 VanDerWaalsContact O-CA 3.31Å; V6-N243 WeakPolarHBondContact O-CA 3.27Å; V6-I244 HydrophobicContact CB-CG2 4.25Å; V6-I244 PolarHBondContact N-O 2.89Å; V6-I244 PolarHBondContact O-N 2.81Å; V6-P246 HydrophobicContact CG2-CG 4.24Å
7R94.8Very high85.1Confident56 Ų5651.9 Ų51.921%0.21128%0.278CS..EExtended strand (participates in β ladder)trans-96.3112180-56.6-171.263.9-1755.1109.5T32 G33 Q34 F35 D36 N243R7-T32 PolarHBondContact NH1-O 3.33Å; R7-T32 PolarHBondContact NH2-O 2.79Å; R7-G33 VanDerWaalsContact NH1-C 3.34Å; R7-Q34 WeakPolarHBondContact CD-O 3.41Å; R7-Q34 PolarHBondContact NE-O 3.22Å; R7-Q34 PolarHBondContact NH1-O 3.3Å; R7-F35 HydrophobicContact CB-CB 4.38Å; R7-F35 HydrophobicContact CB-CD1 3.72Å; R7-F35 HydrophobicContact CB-CE1 4.31Å; R7-F35 HydrophobicContact CB-CG 4.19Å; R7-D36 PolarHBondContact N-OD2 3.1Å; R7-D36 PolarHBondContact O-N 3.27Å; R7-N243 WeakPolarHBondContact CG-OD1 3.49Å
8V96.1Very high85.7Confident0 Ų049.1 Ų49.10%026%0.263CS..EExtended strand (participates in β ladder)trans-116.2134.5-172.4-176.90000110.6V6 V10 L37 L39 L110 F242 I244V6-V8 HydrophobicContact CG1-CG2 3.92Å; V8-V10 HydrophobicContact CG1-CG2 3.98Å; V8-L37 HydrophobicContact CG1-CD1 3.82Å; V8-L37 HydrophobicContact CG1-CG 4.38Å; V8-L37 HydrophobicContact CG2-CD1 4.29Å; V8-L37 HydrophobicContact CG2-CD2 4.36Å; V8-L37 HydrophobicContact CG2-CG 4.2Å; V8-L39 HydrophobicContact CG1-CD1 3.76Å; V8-L39 HydrophobicContact CG1-CG 4.04Å; V8-L110 HydrophobicContact CG2-CD2 4.28Å; V8-F242 HydrophobicContact CB-CD1 4.19Å; V8-F242 HydrophobicContact CB-CE1 3.73Å; V8-F242 HydrophobicContact CB-CZ 4.23Å; V8-F242 HydrophobicContact CG1-CE1 3.85Å; V8-F242 HydrophobicContact CG1-CZ 4.44Å; V8-F242 PolarHBondContact N-O 3.07Å; V8-F242 PolarHBondContact O-N 2.72Å; V8-I244 HydrophobicContact CG2-CG2 3.98Å
9L97.5Very high86.1Confident0 Ų047.9 Ų47.90%026%0.259CS..EExtended strand (participates in β ladder)trans-102.6139.4164.4-70.2166.8000109.2V25 I28 F35 L37 L38 L39 L239 Y240 A241L9-V25 HydrophobicContact CD1-CG1 3.86Å; L9-V25 HydrophobicContact CD1-CG2 4.3Å; L9-I28 HydrophobicContact CD2-CG2 4.43Å; L9-F35 HydrophobicContact CD1-CB 4.06Å; L9-F35 HydrophobicContact CD1-CD1 4.2Å; L9-F35 HydrophobicContact CD1-CD2 4.13Å; L9-F35 HydrophobicContact CD1-CG 3.87Å; L9-F35 HydrophobicContact CD2-CD1 4.04Å; L9-F35 HydrophobicContact CD2-CE1 3.84Å; L9-F35 HydrophobicContact CD2-CE2 4.47Å; L9-F35 HydrophobicContact CD2-CG 4.42Å; L9-F35 HydrophobicContact CD2-CZ 4.07Å; L9-F35 HydrophobicContact CG-CB 4.23Å; L9-F35 HydrophobicContact CG-CD1 3.59Å; L9-F35 HydrophobicContact CG-CD2 4.33Å; L9-F35 HydrophobicContact CG-CE1 3.95Å; L9-F35 HydrophobicContact CG-CG 3.8Å; L9-F35 HydrophobicContact CG-CZ 4.45Å; L9-L37 PolarHBondContact N-O 2.91Å; L9-L38 HydrophobicContact CB-CB 4.46Å; L9-L38 HydrophobicContact CB-CD1 3.56Å; L9-L38 CarbonylContact O-C 3.51Å; L9-L38 WeakPolarHBondContact O-CA 3.35Å; L9-L39 PolarHBondContact O-N 3.09Å; L9-L239 HydrophobicContact CD2-CD2 4.44Å; L9-Y240 CarbonylContact C-O 3.44Å; L9-Y240 WeakPolarHBondContact CA-O 3.39Å; L9-A241 HydrophobicContact CD2-CB 3.57Å
10V97.9Very high86.6Confident0 Ų047.8 Ų47.80%026%0.262CS..EExtended strand (participates in β ladder)trans-127.4132.2174.9-167.90000109.2V8 L39 V41 F195 L227 L239 Y240 F242V8-V10 HydrophobicContact CG1-CG2 3.98Å; V10-L39 CarbonylContact C-O 3.58Å; V10-L39 VanDerWaalsContact CA-O 3.27Å; V10-L39 WeakPolarHBondContact CA-O 3.29Å; V10-L39 HydrophobicContact CG1-CB 4.24Å; V10-L39 WeakPolarHBondContact CG1-O 3.49Å; V10-L39 HydrophobicContact CG2-CB 4.32Å; V10-L39 HydrophobicContact CG2-CD1 4.37Å; V10-V41 HydrophobicContact CG1-CG1 3.95Å; V10-V41 HydrophobicContact CG1-CG2 4.3Å; V10-F195 HydrophobicContact CB-CD1 4.11Å; V10-F195 HydrophobicContact CB-CE1 4.15Å; V10-F195 HydrophobicContact CB-CG 4.37Å; V10-F195 HydrophobicContact CB-CZ 4.45Å; V10-F195 HydrophobicContact CG1-CB 3.93Å; V10-F195 HydrophobicContact CG1-CD1 3.77Å; V10-F195 HydrophobicContact CG1-CD2 4.23Å; V10-F195 HydrophobicContact CG1-CE1 4.32Å; V10-F195 HydrophobicContact CG1-CG 3.72Å; V10-F195 HydrophobicContact CG2-CD1 4.25Å; V10-F195 HydrophobicContact CG2-CD2 4.06Å; V10-F195 HydrophobicContact CG2-CE1 4.03Å; V10-F195 HydrophobicContact CG2-CE2 3.83Å; V10-F195 HydrophobicContact CG2-CG 4.27Å; V10-F195 HydrophobicContact CG2-CZ 3.81Å; V10-L227 HydrophobicContact CB-CD1 3.98Å; V10-L227 HydrophobicContact CG1-CD1 3.73Å; V10-L227 VanDerWaalsContact O-CD1 3.31Å; V10-L227 WeakPolarHBondContact O-CD1 3.1Å; V10-L239 CarbonylContact O-C 3.52Å; V10-L239 WeakPolarHBondContact O-CA 3.46Å; V10-L239 WeakPolarHBondContact O-CD1 3.37Å; V10-Y240 PolarHBondContact N-O 2.83Å; V10-Y240 PolarHBondContact O-N 3.37Å; V10-F242 HydrophobicContact CG2-CE1 3.86Å
11C97.8Very high87Confident0 Ų045.5 Ų45.50%025%0.249CC..EExtended strand (participates in β ladder)trans-118.9140.7179.2-173.80000110.8L21 L38 L39 C40 V41 V230 Y238 L239C11-L21 HydrophobicContact CB-CD1 4.1Å; C11-L38 HydrophobicContact CB-CD1 4.25Å; C11-L39 PolarHBondContact N-O 3.45Å; C11-C40 WeakPolarHBondContact O-CA 3.43Å; C11-V41 WeakPolarHBondContact O-CG2 3.44Å; C11-V41 PolarHBondContact O-N 2.93Å; C11-V230 VanDerWaalsContact SG-CG2 3.57Å; C11-Y238 WeakPolarHBondContact CA-O 3.47Å; C11-L239 HydrophobicContact CB-CD1 3.82Å
12G96.2Very high89.9Confident0 Ų034.4 Ų34.40%020%0.195CC..  trans-74.8-144169.100000112.4V14 Y238G12-V14 PolarHBondContact O-N 3.31Å; G12-Y238 PolarHBondContact N-O 3.17Å
13D95.7Very high92.5Very high4 Ų435.6 Ų35.62%0.02118%0.183CC..  trans-67121.2-179-57.5-64.9000111.7E15 G42 E43 L198 T229 V230D13-E15 HydrophobicContact CB-CG 4.14Å; D13-G42 WeakPolarHBondContact OD1-CA 3.39Å; D13-E43 PolarHBondContact OD1-N 3.08Å; D13-L198 WeakPolarHBondContact OD1-CD2 3.25Å; D13-L198 PolarHBondContact OD1-N 2.78Å; D13-L198 WeakPolarHBondContact OD2-CA 3.44Å; D13-L198 PolarHBondContact OD2-N 2.84Å; D13-T229 HydrophobicContact CB-CG2 3.75Å; D13-T229 CarbonylContact O-C 3.37Å; D13-T229 WeakPolarHBondContact O-CA 3.28Å; D13-T229 WeakPolarHBondContact O-CG2 3.26Å; D13-V230 WeakPolarHBondContact O-CG2 2.97Å; D13-V230 PolarHBondContact O-N 3.32Å
14V95.9Very high94.1Very high0 Ų037 Ų370%018%0.18CC..  trans-88.9-41.2178.4-172.10000110.2G12 G16 R17 L18 L21 E43 F44 V230G12-V14 PolarHBondContact O-N 3.31Å; V14-G16 PolarHBondContact O-N 2.69Å; V14-R17 PolarHBondContact O-N 3.04Å; V14-R17 VanDerWaalsContact O-N 3.14Å; V14-R17 PolarHBondContact O-NE 2.89Å; V14-R17 VanDerWaalsContact O-NE 3.08Å; V14-R17 PolarHBondContact O-NH2 2.84Å; V14-R17 VanDerWaalsContact O-NH2 3.14Å; V14-L18 HydrophobicContact CG1-CD2 3.9Å; V14-L21 HydrophobicContact CG1-CB 4.48Å; V14-L21 HydrophobicContact CG1-CD2 4.03Å; V14-L21 HydrophobicContact CG2-CD2 3.74Å; V14-E43 PolarHBondContact N-O 2.91Å; V14-F44 HydrophobicContact CB-CD2 4.18Å; V14-F44 HydrophobicContact CG2-CD2 3.82Å; V14-F44 HydrophobicContact CG2-CE2 4.31Å; V14-V230 HydrophobicContact CB-CG2 4.43Å; V14-V230 HydrophobicContact CG1-CG2 4.45Å; V14-V230 HydrophobicContact CG2-CG2 4.35Å
15E94.6Very high95.2Very high88 Ų8828.7 Ų28.741%0.41114%0.142SC..THydrogen-bonded Turntrans47.641.8-176.9-47.9176149.500112.1D13 R17 E43 G46 T229D13-E15 HydrophobicContact CB-CG 4.14Å; E15-R17 PolarHBondContact O-N 2.73Å; E15-R17 IonicContact OE2-CZ 3.05Å; E15-R17 IonicContact OE2-NH1 3.44Å; E15-R17 IonicContact OE2-NH2 3.51Å; E15-R17 PolarHBondContact OE2-NH2 2.98Å; E15-E43 PolarHBondContact N-O 3.11Å; E15-G46 VanDerWaalsContact C-CA 3.49Å; E15-G46 WeakPolarHBondContact O-CA 3.4Å; E15-T229 VanDerWaalsContact CD-CG2 3.47Å; E15-T229 HydrophobicContact CG-CG2 4.02Å; E15-T229 WeakPolarHBondContact OE2-CG2 3.38Å
16G93.6Very high95.6Very high4 Ų429.4 Ų29.44%0.04114%0.139CC..THydrogen-bonded Turntrans81.51.4176.800000116.6V14 L18 F44V14-G16 PolarHBondContact O-N 2.69Å; G16-L18 PolarHBondContact O-N 2.83Å; G16-F44 PolarHBondContact N-O 2.77Å
17R94.9Very high95.7Very high66 Ų6631.3 Ų31.325%0.24916%0.156CC..  trans-78.556.8175.5-68.4170.1-70.7-132-29112.9V14 E15 S20 L21 V230V14-R17 PolarHBondContact O-N 3.04Å; V14-R17 VanDerWaalsContact O-N 3.14Å; V14-R17 PolarHBondContact O-NE 2.89Å; V14-R17 VanDerWaalsContact O-NE 3.08Å; V14-R17 PolarHBondContact O-NH2 2.84Å; V14-R17 VanDerWaalsContact O-NH2 3.14Å; E15-R17 PolarHBondContact O-N 2.73Å; E15-R17 IonicContact OE2-CZ 3.05Å; E15-R17 IonicContact OE2-NH1 3.44Å; E15-R17 IonicContact OE2-NH2 3.51Å; E15-R17 PolarHBondContact OE2-NH2 2.98Å; R17-S20 PolarHBondContact O-N 2.9Å; R17-L21 PolarHBondContact O-N 2.74Å; R17-L21 VanDerWaalsContact O-N 3.16Å; R17-V230 HydrophobicContact CB-CG1 4.08Å; R17-V230 PolarHBondContact NE-O 3.21Å; R17-V230 PolarHBondContact NH1-O 3.37Å
18L95.6Very high95.6Very high1 Ų130 Ų301%0.00515%0.153CC..Hα-helixtrans-66-45.7-168.6-59.3-179.5000112.9V14 G16 S20 L21 F22 F44 E54 W55 Y58V14-L18 HydrophobicContact CG1-CD2 3.9Å; G16-L18 PolarHBondContact O-N 2.83Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 2.61Å; L18-L21 PolarHBondContact O-N 3.01Å; L18-F22 HydrophobicContact CB-CD2 4.19Å; L18-F22 HydrophobicContact CB-CE2 4.11Å; L18-F22 HydrophobicContact CD2-CE2 4.45Å; L18-F22 WeakPolarHBondContact O-CB 3.39Å; L18-F22 WeakPolarHBondContact O-CD2 3.45Å; L18-F22 WeakPolarHBondContact O-CG 3.45Å; L18-F22 PolarHBondContact O-N 3.38Å; L18-F44 HydrophobicContact CD2-CD1 4.44Å; L18-F44 HydrophobicContact CD2-CD2 4.45Å; L18-F44 HydrophobicContact CD2-CE1 3.72Å; L18-F44 HydrophobicContact CD2-CE2 3.72Å; L18-F44 HydrophobicContact CD2-CZ 3.32Å; L18-E54 HydrophobicContact CB-CG 4.09Å; L18-E54 HydrophobicContact CD1-CG 4.34Å; L18-E54 HydrophobicContact CG-CG 4.45Å; L18-E54 PolarHBondContact N-OE2 2.9Å; L18-W55 HydrophobicContact CD1-CE3 3.91Å; L18-Y58 HydrophobicContact CB-CD2 4.4Å; L18-Y58 HydrophobicContact CB-CE2 3.72Å; L18-Y58 HydrophobicContact CD1-CD2 3.62Å; L18-Y58 HydrophobicContact CD1-CE2 3.83Å; L18-Y58 HydrophobicContact CD1-CG 4.39Å; L18-Y58 HydrophobicContact CG-CE2 4.43Å
19S94.2Very high95.5Very high27 Ų2731.5 Ų31.519%0.18916%0.16CC..Hα-helixtrans-63.2-38.6-179.7-67.70000110.7N23 E54 K63S19-N23 WeakPolarHBondContact O-CB 3.27Å; S19-N23 PolarHBondContact O-N 2.84Å; S19-N23 PolarHBondContact O-ND2 2.95Å; S19-N23 VanDerWaalsContact O-ND2 3.13Å; S19-E54 WeakPolarHBondContact CA-OE1 3.37Å; S19-E54 WeakPolarHBondContact CB-OE1 3.43Å; S19-E54 PolarHBondContact N-OE1 3.19Å; S19-E54 PolarHBondContact OG-OE1 3.3Å; S19-K63 PolarHBondContact OG-NZ 2.67Å
20S94.7Very high95.3Very high46 Ų4640.2 Ų40.232%0.32220%0.198SC..Hα-helixtrans-63.7-45.1176.9-69.60000111.7R17 L18 R24 N231R17-S20 PolarHBondContact O-N 2.9Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 2.61Å; S20-R24 WeakPolarHBondContact O-CB 3.43Å; S20-R24 PolarHBondContact O-N 2.9Å; S20-N231 WeakPolarHBondContact CB-ND2 3.2Å; S20-N231 PolarHBondContact OG-ND2 2.68Å
21L96.4Very high95Very high0 Ų049.2 Ų49.20%024%0.237CC..Hα-helixtrans-61.5-55.1175.7173.759.4000111.1C11 V14 R17 L18 N23 R24 V25 L38 L239C11-L21 HydrophobicContact CB-CD1 4.1Å; V14-L21 HydrophobicContact CG1-CB 4.48Å; V14-L21 HydrophobicContact CG1-CD2 4.03Å; V14-L21 HydrophobicContact CG2-CD2 3.74Å; R17-L21 PolarHBondContact O-N 2.74Å; R17-L21 VanDerWaalsContact O-N 3.16Å; L18-L21 PolarHBondContact O-N 3.01Å; L21-N23 PolarHBondContact O-N 3.38Å; L21-R24 WeakPolarHBondContact O-CB 3.38Å; L21-R24 PolarHBondContact O-N 2.92Å; L21-R24 VanDerWaalsContact O-N 3.14Å; L21-V25 HydrophobicContact CD1-CG2 4.09Å; L21-V25 HydrophobicContact CG-CG2 4.47Å; L21-V25 WeakPolarHBondContact O-CG2 3.11Å; L21-V25 PolarHBondContact O-N 2.67Å; L21-L38 HydrophobicContact CD2-CD2 4.28Å; L21-L38 HydrophobicContact CG-CD2 4.48Å; L21-L239 HydrophobicContact CD1-CD1 4.03Å
22F96.6Very high94.6Very high4 Ų453.1 Ų53.12%0.01826%0.261CS..Hα-helixtrans-69.9-34.8-173.3-67.1-46.3000113.4L18 R24 V25 Q26 L38 Y58 A65 P66 T69 I95L18-F22 HydrophobicContact CB-CD2 4.19Å; L18-F22 HydrophobicContact CB-CE2 4.11Å; L18-F22 HydrophobicContact CD2-CE2 4.45Å; L18-F22 WeakPolarHBondContact O-CB 3.39Å; L18-F22 WeakPolarHBondContact O-CD2 3.45Å; L18-F22 WeakPolarHBondContact O-CG 3.45Å; L18-F22 PolarHBondContact O-N 3.38Å; F22-R24 VanDerWaalsContact C-N 3.29Å; F22-R24 PolarHBondContact O-N 3.3Å; F22-V25 PolarHBondContact O-N 3.27Å; F22-Q26 WeakPolarHBondContact O-CG 3.31Å; F22-Q26 PolarHBondContact O-N 2.86Å; F22-L38 HydrophobicContact CD1-CD2 4.43Å; F22-L38 HydrophobicContact CE1-CD2 4Å; F22-Y58 AromaticContact CD2-CE1 3.74Å; F22-Y58 HydrophobicContact CD2-CE1 3.74Å; F22-Y58 AromaticContact CD2-CZ 3.67Å; F22-Y58 WeakPolarHBondContact CD2-OH 3.38Å; F22-Y58 HydrophobicContact CE2-CD1 4.3Å; F22-Y58 AromaticContact CE2-CE1 3.66Å; F22-Y58 HydrophobicContact CE2-CE1 3.66Å; F22-Y58 AromaticContact CE2-CZ 3.86Å; F22-A65 HydrophobicContact CD1-CB 4.45Å; F22-A65 HydrophobicContact CE1-CB 3.78Å; F22-A65 HydrophobicContact CE2-CB 4.15Å; F22-A65 HydrophobicContact CZ-CB 3.59Å; F22-P66 HydrophobicContact CB-CG 4.04Å; F22-P66 HydrophobicContact CD1-CG 3.88Å; F22-P66 HydrophobicContact CG-CG 4.25Å; F22-T69 HydrophobicContact CE1-CG2 4.44Å; F22-I95 HydrophobicContact CE2-CD1 4.32Å; F22-I95 HydrophobicContact CZ-CD1 4.11Å
23N95.8Very high94.2Very high100 Ų10054.5 Ų54.554%0.53528%0.276SS..Hα-helixtrans-61.3-40.9170.9-72.2-19.5000111S19 L21 Q26 A27S19-N23 WeakPolarHBondContact O-CB 3.27Å; S19-N23 PolarHBondContact O-N 2.84Å; S19-N23 PolarHBondContact O-ND2 2.95Å; S19-N23 VanDerWaalsContact O-ND2 3.13Å; L21-N23 PolarHBondContact O-N 3.38Å; N23-Q26 PolarHBondContact O-N 2.81Å; N23-A27 WeakPolarHBondContact O-CB 3.42Å; N23-A27 PolarHBondContact O-N 2.97Å
24R95.2Very high94.1Very high134 Ų13461.8 Ų61.851%0.50631%0.309SS..Hα-helixtrans-65.9-42.1176-175.661.5174179-0.6111.8S20 L21 F22 A27 I28 L239S20-R24 WeakPolarHBondContact O-CB 3.43Å; S20-R24 PolarHBondContact O-N 2.9Å; L21-R24 WeakPolarHBondContact O-CB 3.38Å; L21-R24 PolarHBondContact O-N 2.92Å; L21-R24 VanDerWaalsContact O-N 3.14Å; F22-R24 VanDerWaalsContact C-N 3.29Å; F22-R24 PolarHBondContact O-N 3.3Å; R24-A27 PolarHBondContact O-N 3.14Å; R24-I28 HydrophobicContact CG-CD1 4.06Å; R24-I28 WeakPolarHBondContact O-CG1 3.22Å; R24-I28 PolarHBondContact O-N 3.19Å; R24-L239 HydrophobicContact CG-CD2 4.19Å
25V95.8Very high94Very high0 Ų062.5 Ų62.50%031%0.313CS..Hα-helixtrans-60.8-47.2176.2169.30000110.8L9 L21 F22 A27 I28 Q29 L38 P66 I67L9-V25 HydrophobicContact CD1-CG1 3.86Å; L9-V25 HydrophobicContact CD1-CG2 4.3Å; L21-V25 HydrophobicContact CD1-CG2 4.09Å; L21-V25 HydrophobicContact CG-CG2 4.47Å; L21-V25 WeakPolarHBondContact O-CG2 3.11Å; L21-V25 PolarHBondContact O-N 2.67Å; F22-V25 PolarHBondContact O-N 3.27Å; V25-A27 VanDerWaalsContact C-N 3.33Å; V25-A27 PolarHBondContact O-N 3.34Å; V25-I28 PolarHBondContact O-N 3.4Å; V25-Q29 WeakPolarHBondContact O-CG 3.32Å; V25-Q29 PolarHBondContact O-N 3.39Å; V25-L38 HydrophobicContact CG2-CD2 4.12Å; V25-P66 HydrophobicContact CB-CG 4.43Å; V25-P66 HydrophobicContact CG1-CG 4.03Å; V25-I67 HydrophobicContact CG1-CG2 3.93Å
26Q95.6Very high93.9Very high79 Ų7962.7 Ų62.737%0.36932%0.316SS..Hα-helixtrans-59.7-43175.6-73.9179.4-2.900112F22 N23 I28 Q29 K30 P66F22-Q26 WeakPolarHBondContact O-CG 3.31Å; F22-Q26 PolarHBondContact O-N 2.86Å; N23-Q26 PolarHBondContact O-N 2.81Å; Q26-I28 VanDerWaalsContact C-N 3.3Å; Q26-I28 PolarHBondContact O-N 3.28Å; Q26-Q29 PolarHBondContact O-N 3.03Å; Q26-K30 WeakPolarHBondContact O-CB 3.11Å; Q26-K30 WeakPolarHBondContact O-CG 3.42Å; Q26-K30 PolarHBondContact O-N 3.08Å; Q26-P66 HydrophobicContact CG-CB 3.59Å; Q26-P66 HydrophobicContact CG-CG 3.94Å
27A94.8Very high94Very high48 Ų4863.2 Ų63.240%0.39732%0.318SS..Hα-helixtrans-61.7-39.217700000112.1N23 R24 V25 K31N23-A27 WeakPolarHBondContact O-CB 3.42Å; N23-A27 PolarHBondContact O-N 2.97Å; R24-A27 PolarHBondContact O-N 3.14Å; V25-A27 VanDerWaalsContact C-N 3.33Å; V25-A27 PolarHBondContact O-N 3.34Å; A27-K31 PolarHBondContact O-N 3.33Å
28I93.2Very high94.1Very high28 Ų2860.1 Ų60.114%0.14431%0.306CS..Hα-helixtrans-68.4-44.3176.2-70.3165.7000111L9 R24 V25 Q26 K30 K31 T32 F35 L239L9-I28 HydrophobicContact CD2-CG2 4.43Å; R24-I28 HydrophobicContact CG-CD1 4.06Å; R24-I28 WeakPolarHBondContact O-CG1 3.22Å; R24-I28 PolarHBondContact O-N 3.19Å; V25-I28 PolarHBondContact O-N 3.4Å; Q26-I28 VanDerWaalsContact C-N 3.3Å; Q26-I28 PolarHBondContact O-N 3.28Å; I28-K30 VanDerWaalsContact C-N 3.3Å; I28-K30 PolarHBondContact O-N 3.09Å; I28-K31 PolarHBondContact O-N 3.03Å; I28-K31 VanDerWaalsContact O-N 3.1Å; I28-T32 PolarHBondContact O-N 2.95Å; I28-T32 PolarHBondContact O-OG1 2.73Å; I28-F35 HydrophobicContact CG2-CD2 4.46Å; I28-F35 HydrophobicContact CG2-CE2 3.64Å; I28-F35 HydrophobicContact CG2-CZ 4.09Å; I28-L239 HydrophobicContact CD1-CD2 3.32Å
29Q92.7Very high94.3Very high33 Ų3360 Ų6015%0.15431%0.306CS..Hα-helixtrans-61.5-39.6177.4-74.2-164.847.400112.2V25 Q26 K31 G33 F35V25-Q29 WeakPolarHBondContact O-CG 3.32Å; V25-Q29 PolarHBondContact O-N 3.39Å; Q26-Q29 PolarHBondContact O-N 3.03Å; Q29-K31 VanDerWaalsContact C-N 3.29Å; Q29-K31 PolarHBondContact O-N 2.82Å; Q29-G33 WeakPolarHBondContact CA-O 3.42Å; Q29-G33 CarbonylContact O-C 3.55Å; Q29-G33 VanDerWaalsContact O-C 3.25Å; Q29-G33 WeakPolarHBondContact O-CA 3.32Å; Q29-G33 PolarHBondContact O-N 2.73Å; Q29-F35 HydrophobicContact CG-CD2 4.09Å
30K93.5Very high94.4Very high182 Ų18258.9 Ų58.979%0.79130%0.298SS*.Hα-helixtrans-62.3-35.3174.3-74.6176.7-179-1790112.6Q26 I28Q26-K30 WeakPolarHBondContact O-CB 3.11Å; Q26-K30 WeakPolarHBondContact O-CG 3.42Å; Q26-K30 PolarHBondContact O-N 3.08Å; I28-K30 VanDerWaalsContact C-N 3.3Å; I28-K30 PolarHBondContact O-N 3.09Å
31K93.1Very high94.4Very high189 Ų18956.7 Ų56.782%0.82228%0.282SS*.Hα-helixtrans-85.2-41.9-176.3-172.2177.3180179.90113.4A27 I28 Q29A27-K31 PolarHBondContact O-N 3.33Å; I28-K31 PolarHBondContact O-N 3.03Å; I28-K31 VanDerWaalsContact O-N 3.1Å; Q29-K31 VanDerWaalsContact C-N 3.29Å; Q29-K31 PolarHBondContact O-N 2.82Å
32T88.4Confident94.3Very high82 Ų8256.7 Ų56.750%0.50328%0.283SS..Hα-helixtrans-112.8-2.6-167.7-38.80000111.8R7 I28R7-T32 PolarHBondContact NH1-O 3.33Å; R7-T32 PolarHBondContact NH2-O 2.79Å; I28-T32 PolarHBondContact O-N 2.95Å; I28-T32 PolarHBondContact O-OG1 2.73Å
33G88.7Confident94.2Very high30 Ų3057.2 Ų57.231%0.30929%0.285SS..  trans91.7171.9-174.400000113.1R7 Q29 F35R7-G33 VanDerWaalsContact NH1-C 3.34Å; Q29-G33 WeakPolarHBondContact CA-O 3.42Å; Q29-G33 CarbonylContact O-C 3.55Å; Q29-G33 VanDerWaalsContact O-C 3.25Å; Q29-G33 WeakPolarHBondContact O-CA 3.32Å; Q29-G33 PolarHBondContact O-N 2.73Å; G33-F35 WeakPolarHBondContact O-CD2 3.4Å
34Q92.1Very high94.1Very high157 Ų15752.5 Ų52.573%0.73426%0.26SS*.  trans-65.2144.6-175.9-68-175.5-500112.2R7R7-Q34 WeakPolarHBondContact CD-O 3.41Å; R7-Q34 PolarHBondContact NE-O 3.22Å; R7-Q34 PolarHBondContact NH1-O 3.3Å
35F94.5Very high94.1Very high15 Ų1546.4 Ų46.47%0.06624%0.237CC..  trans-109.2153.4172.9-76.4-103.4000108.5R7 L9 I28 Q29 G33 I67 A241R7-F35 HydrophobicContact CB-CB 4.38Å; R7-F35 HydrophobicContact CB-CD1 3.72Å; R7-F35 HydrophobicContact CB-CE1 4.31Å; R7-F35 HydrophobicContact CB-CG 4.19Å; L9-F35 HydrophobicContact CD1-CB 4.06Å; L9-F35 HydrophobicContact CD1-CD1 4.2Å; L9-F35 HydrophobicContact CD1-CD2 4.13Å; L9-F35 HydrophobicContact CD1-CG 3.87Å; L9-F35 HydrophobicContact CD2-CD1 4.04Å; L9-F35 HydrophobicContact CD2-CE1 3.84Å; L9-F35 HydrophobicContact CD2-CE2 4.47Å; L9-F35 HydrophobicContact CD2-CG 4.42Å; L9-F35 HydrophobicContact CD2-CZ 4.07Å; L9-F35 HydrophobicContact CG-CB 4.23Å; L9-F35 HydrophobicContact CG-CD1 3.59Å; L9-F35 HydrophobicContact CG-CD2 4.33Å; L9-F35 HydrophobicContact CG-CE1 3.95Å; L9-F35 HydrophobicContact CG-CG 3.8Å; L9-F35 HydrophobicContact CG-CZ 4.45Å; I28-F35 HydrophobicContact CG2-CD2 4.46Å; I28-F35 HydrophobicContact CG2-CE2 3.64Å; I28-F35 HydrophobicContact CG2-CZ 4.09Å; Q29-F35 HydrophobicContact CG-CD2 4.09Å; G33-F35 WeakPolarHBondContact O-CD2 3.4Å; F35-I67 HydrophobicContact CB-CD1 3.58Å; F35-I67 WeakPolarHBondContact O-CD1 3.17Å; F35-A241 HydrophobicContact CE1-CB 3.89Å; F35-A241 HydrophobicContact CZ-CB 3.91Å
36D93.6Very high93.9Very high91 Ų9146.8 Ų46.849%0.48724%0.241SC..SBendtrans-82.8-39.9-175-59.5-64000112V6 R7V6-D36 WeakPolarHBondContact CA-OD2 3.36Å; V6-D36 HydrophobicContact CG1-CB 3.94Å; R7-D36 PolarHBondContact N-OD2 3.1Å; R7-D36 PolarHBondContact O-N 3.27Å
37L95.3Very high93.7Very high16 Ų1647.8 Ų47.88%0.08425%0.253CS..EExtended strand (participates in β ladder)trans-153.5155.6-177.962.8109.4000113.8V6 V8 L9 L39 Q68 Y70 L110V6-L37 HydrophobicContact CG1-CD2 4.04Å; V8-L37 HydrophobicContact CG1-CD1 3.82Å; V8-L37 HydrophobicContact CG1-CG 4.38Å; V8-L37 HydrophobicContact CG2-CD1 4.29Å; V8-L37 HydrophobicContact CG2-CD2 4.36Å; V8-L37 HydrophobicContact CG2-CG 4.2Å; L9-L37 PolarHBondContact N-O 2.91Å; L37-L39 HydrophobicContact CD1-CD1 3.96Å; L37-L39 HydrophobicContact CD1-CD2 3.3Å; L37-L39 HydrophobicContact CD1-CG 3.47Å; L37-L39 VanDerWaalsContact CD1-CG 3.47Å; L37-Q68 WeakPolarHBondContact CA-O 3.39Å; L37-Y70 HydrophobicContact CB-CD2 4.22Å; L37-Y70 HydrophobicContact CB-CE2 4Å; L37-Y70 HydrophobicContact CD1-CD2 4.28Å; L37-L110 HydrophobicContact CD2-CD2 4.3Å
38L97.4Very high93.6Very high0 Ų048.8 Ų48.80%025%0.253CS..EExtended strand (participates in β ladder)trans-114.8127.2173174.463.9000110L9 C11 L21 F22 V25 I67 Q68 T69 Y70 L239L9-L38 HydrophobicContact CB-CB 4.46Å; L9-L38 HydrophobicContact CB-CD1 3.56Å; L9-L38 CarbonylContact O-C 3.51Å; L9-L38 WeakPolarHBondContact O-CA 3.35Å; C11-L38 HydrophobicContact CB-CD1 4.25Å; L21-L38 HydrophobicContact CD2-CD2 4.28Å; L21-L38 HydrophobicContact CG-CD2 4.48Å; F22-L38 HydrophobicContact CD1-CD2 4.43Å; F22-L38 HydrophobicContact CE1-CD2 4Å; V25-L38 HydrophobicContact CG2-CD2 4.12Å; L38-I67 HydrophobicContact CB-CG2 3.71Å; L38-I67 HydrophobicContact CD2-CG2 4.26Å; L38-Q68 PolarHBondContact N-O 3.39Å; L38-T69 HydrophobicContact CB-CG2 4.37Å; L38-T69 HydrophobicContact CD2-CG2 3.86Å; L38-T69 HydrophobicContact CG-CG2 4.08Å; L38-T69 CarbonylContact O-C 3.43Å; L38-T69 WeakPolarHBondContact O-CA 3.43Å; L38-Y70 PolarHBondContact O-N 3.09Å; L38-L239 HydrophobicContact CD1-CD1 4.14Å
39L97.8Very high93.5Very high0 Ų052.1 Ų52.10%028%0.277CS..EExtended strand (participates in β ladder)trans-109.2116.8177.5-56.2178000109.9V8 L9 V10 C11 L37 Y70 L112 I153 L155V8-L39 HydrophobicContact CG1-CD1 3.76Å; V8-L39 HydrophobicContact CG1-CG 4.04Å; L9-L39 PolarHBondContact O-N 3.09Å; V10-L39 CarbonylContact C-O 3.58Å; V10-L39 VanDerWaalsContact CA-O 3.27Å; V10-L39 WeakPolarHBondContact CA-O 3.29Å; V10-L39 HydrophobicContact CG1-CB 4.24Å; V10-L39 WeakPolarHBondContact CG1-O 3.49Å; V10-L39 HydrophobicContact CG2-CB 4.32Å; V10-L39 HydrophobicContact CG2-CD1 4.37Å; C11-L39 PolarHBondContact N-O 3.45Å; L37-L39 HydrophobicContact CD1-CD1 3.96Å; L37-L39 HydrophobicContact CD1-CD2 3.3Å; L37-L39 HydrophobicContact CD1-CG 3.47Å; L37-L39 VanDerWaalsContact CD1-CG 3.47Å; L39-Y70 HydrophobicContact CD2-CD2 3.96Å; L39-Y70 HydrophobicContact CD2-CG 4.32Å; L39-L112 HydrophobicContact CD1-CD1 4.44Å; L39-L112 HydrophobicContact CD1-CD2 4.24Å; L39-L112 HydrophobicContact CD2-CD1 3.9Å; L39-I153 HydrophobicContact CD1-CD1 4.19Å; L39-L155 HydrophobicContact CB-CD1 4.34Å; L39-L155 HydrophobicContact CB-CD2 4.48Å; L39-L155 HydrophobicContact CD1-CD1 4.1Å; L39-L155 HydrophobicContact CD1-CD2 3.91Å; L39-L155 HydrophobicContact CD2-CD1 4.19Å; L39-L155 HydrophobicContact CG-CD1 4.44Å
40C97.3Very high93.5Very high2 Ų256.9 Ų56.91%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-99.9111.3173.8-62.80000109.3C11 F44 Y70 I71 L72C11-C40 WeakPolarHBondContact O-CA 3.43Å; C40-F44 HydrophobicContact CB-CD2 3.97Å; C40-Y70 PolarHBondContact N-O 3.13Å; C40-I71 HydrophobicContact CB-CB 4.43Å; C40-I71 HydrophobicContact CB-CG2 4.02Å; C40-L72 PolarHBondContact O-N 2.93Å
41V95.7Very high93.5Very high0 Ų048.5 Ų48.50%026%0.264CS..  trans-97.7-11-172.7-610000114.2V10 C11 L72 L155 S157 F195 A197V10-V41 HydrophobicContact CG1-CG1 3.95Å; V10-V41 HydrophobicContact CG1-CG2 4.3Å; C11-V41 WeakPolarHBondContact O-CG2 3.44Å; C11-V41 PolarHBondContact O-N 2.93Å; V41-L72 HydrophobicContact CB-CD1 4.24Å; V41-L72 WeakPolarHBondContact O-CD1 3.29Å; V41-L155 HydrophobicContact CG1-CB 3.97Å; V41-L155 HydrophobicContact CG1-CD1 4.47Å; V41-L155 HydrophobicContact CG1-CD2 3.55Å; V41-L155 HydrophobicContact CG1-CG 4.19Å; V41-S157 VanDerWaalsContact O-CA 3.24Å; V41-S157 WeakPolarHBondContact O-CA 3.35Å; V41-S157 PolarHBondContact O-OG 3.23Å; V41-F195 HydrophobicContact CG1-CB 3.96Å; V41-F195 HydrophobicContact CG2-CB 4.26Å; V41-A197 HydrophobicContact CG2-CB 4.04Å
42G92.7Very high93.4Very high1 Ų141.6 Ų41.61%0.0124%0.235CC..SBendtrans-103.5-162178.700000114.1D13 F44 A197D13-G42 WeakPolarHBondContact OD1-CA 3.39Å; G42-F44 PolarHBondContact O-N 3.08Å; G42-A197 VanDerWaalsContact CA-CB 3.48Å
43E94.4Very high93.7Very high15 Ų1540.4 Ų40.47%0.0723%0.233CC..  trans-68118.3173.5-175.658.1-87.300109.9D13 V14 E15 F45 A75 S76 T79 L198D13-E43 PolarHBondContact OD1-N 3.08Å; V14-E43 PolarHBondContact N-O 2.91Å; E15-E43 PolarHBondContact N-O 3.11Å; E43-F45 WeakPolarHBondContact CG-O 3.49Å; E43-A75 HydrophobicContact CB-CB 4.37Å; E43-A75 PolarHBondContact OE2-N 3.47Å; E43-S76 PolarHBondContact OE2-N 3.06Å; E43-S76 PolarHBondContact OE2-OG 2.78Å; E43-T79 HydrophobicContact CG-CG2 4.39Å; E43-T79 PolarHBondContact OE1-OG1 2.89Å; E43-T79 PolarHBondContact OE2-OG1 3.13Å; E43-L198 HydrophobicContact CB-CD2 4.3Å
44F95.3Very high93.9Very high1 Ų140.6 Ų40.60%0.00423%0.226CC..  trans-88-41.4-174.8-174.2-103.9000111.7V14 G16 L18 C40 G42 W55 T69 I71 I95V14-F44 HydrophobicContact CB-CD2 4.18Å; V14-F44 HydrophobicContact CG2-CD2 3.82Å; V14-F44 HydrophobicContact CG2-CE2 4.31Å; G16-F44 PolarHBondContact N-O 2.77Å; L18-F44 HydrophobicContact CD2-CD1 4.44Å; L18-F44 HydrophobicContact CD2-CD2 4.45Å; L18-F44 HydrophobicContact CD2-CE1 3.72Å; L18-F44 HydrophobicContact CD2-CE2 3.72Å; L18-F44 HydrophobicContact CD2-CZ 3.32Å; C40-F44 HydrophobicContact CB-CD2 3.97Å; G42-F44 PolarHBondContact O-N 3.08Å; F44-W55 HydrophobicContact CE1-CZ3 4.28Å; F44-T69 HydrophobicContact CE2-CG2 4.48Å; F44-I71 HydrophobicContact CB-CB 4.39Å; F44-I71 HydrophobicContact CB-CD1 4.28Å; F44-I71 HydrophobicContact CB-CG2 4.43Å; F44-I71 HydrophobicContact CD1-CD1 3.75Å; F44-I71 HydrophobicContact CD1-CG2 4.15Å; F44-I71 HydrophobicContact CD2-CB 4.41Å; F44-I71 HydrophobicContact CD2-CG2 3.59Å; F44-I71 HydrophobicContact CE1-CD1 4.28Å; F44-I71 HydrophobicContact CE1-CG2 4.28Å; F44-I71 HydrophobicContact CE2-CG2 3.74Å; F44-I71 HydrophobicContact CG-CB 4.26Å; F44-I71 HydrophobicContact CG-CD1 4.07Å; F44-I71 HydrophobicContact CG-CG2 3.8Å; F44-I71 HydrophobicContact CZ-CG2 4.07Å; F44-I95 HydrophobicContact CE1-CG2 4.26Å; F44-I95 HydrophobicContact CZ-CD1 4.47Å; F44-I95 HydrophobicContact CZ-CG2 4.26Å
45F94.8Very high94.1Very high6 Ų633.6 Ų33.63%0.02619%0.193CC..SBendtrans-90.7147.5-176.5-63.1-66.2000111.7E43 W55 I71 T79 N82 F83 L91E43-F45 WeakPolarHBondContact CG-O 3.49Å; F45-W55 HydrophobicContact CD1-CD2 4.16Å; F45-W55 HydrophobicContact CD1-CG 4.23Å; F45-W55 AromaticContact CE1-CD2 3.47Å; F45-W55 HydrophobicContact CE1-CD2 3.47Å; F45-W55 VanDerWaalsContact CE1-CD2 3.47Å; F45-W55 AromaticContact CE1-CE2 3.41Å; F45-W55 VanDerWaalsContact CE1-CE2 3.41Å; F45-W55 AromaticContact CE1-CE3 3.74Å; F45-W55 HydrophobicContact CE1-CE3 3.74Å; F45-W55 AromaticContact CE1-CG 3.98Å; F45-W55 HydrophobicContact CE1-CG 3.98Å; F45-W55 AromaticContact CE1-CH2 3.93Å; F45-W55 HydrophobicContact CE1-CH2 3.93Å; F45-W55 AromaticContact CE1-CZ2 3.66Å; F45-W55 HydrophobicContact CE1-CZ2 3.66Å; F45-W55 AromaticContact CE1-CZ3 3.96Å; F45-W55 HydrophobicContact CE1-CZ3 3.96Å; F45-W55 AromaticContact CE1-NE1 3.83Å; F45-W55 HydrophobicContact CZ-CD2 4.43Å; F45-W55 AromaticContact CZ-CE2 3.98Å; F45-W55 HydrophobicContact CZ-CH2 4.08Å; F45-W55 AromaticContact CZ-CZ2 3.8Å; F45-W55 HydrophobicContact CZ-CZ2 3.8Å; F45-W55 HydrophobicContact CZ-CZ3 4.49Å; F45-I71 HydrophobicContact CE2-CD1 4.01Å; F45-I71 HydrophobicContact CZ-CD1 4.09Å; F45-T79 HydrophobicContact CB-CG2 3.9Å; F45-N82 WeakPolarHBondContact CB-ND2 3.48Å; F45-N82 HydrophobicContact CD1-CB 4.19Å; F45-N82 HydrophobicContact CD2-CB 3.59Å; F45-N82 HydrophobicContact CE1-CB 4.21Å; F45-N82 HydrophobicContact CE2-CB 3.58Å; F45-N82 HydrophobicContact CG-CB 3.9Å; F45-N82 WeakPolarHBondContact CG-ND2 3.26Å; F45-N82 HydrophobicContact CZ-CB 3.91Å; F45-F83 HydrophobicContact CD2-CD2 4.45Å; F45-F83 HydrophobicContact CD2-CE1 4.47Å; F45-F83 AromaticContact CD2-CE2 3.58Å; F45-F83 HydrophobicContact CD2-CE2 3.58Å; F45-F83 AromaticContact CD2-CZ 3.61Å; F45-F83 HydrophobicContact CD2-CZ 3.61Å; F45-F83 HydrophobicContact CE2-CD1 4.44Å; F45-F83 HydrophobicContact CE2-CD2 4.3Å; F45-F83 AromaticContact CE2-CE1 3.83Å; F45-F83 HydrophobicContact CE2-CE1 3.83Å; F45-F83 AromaticContact CE2-CE2 3.65Å; F45-F83 HydrophobicContact CE2-CE2 3.65Å; F45-F83 AromaticContact CE2-CZ 3.41Å; F45-F83 HydrophobicContact CE2-CZ 3.41Å; F45-F83 VanDerWaalsContact CE2-CZ 3.41Å; F45-L91 HydrophobicContact CE2-CD1 4.18Å; F45-L91 HydrophobicContact CZ-CD1 3.75Å
46G91.3Very high94Very high8 Ų836.5 Ų36.58%0.08221%0.206CC..  trans-99.7157.1173.100000111.3E15E15-G46 VanDerWaalsContact C-CA 3.49Å; E15-G46 WeakPolarHBondContact O-CA 3.4Å
47V91.3Very high94.1Very high100 Ų10035.8 Ų35.861%0.60620%0.2SC*.SBendtrans-92.8-11.8176.1-61.70000113.2E78 T79V47-E78 HydrophobicContact CG1-CB 3.57Å; V47-E78 HydrophobicContact CG1-CG 4.22Å; V47-T79 HydrophobicContact CG1-CG2 4.33Å
48T92.4Very high94.1Very high68 Ų6835.6 Ų35.642%0.41720%0.199SC..SBendtrans-75145.4-178.4530000111.5E50 A51 E52T48-E50 WeakPolarHBondContact CB-OE2 3.48Å; T48-E50 PolarHBondContact O-N 3.26Å; T48-E50 VanDerWaalsContact O-N 3.15Å; T48-A51 WeakPolarHBondContact O-CB 3.37Å; T48-A51 PolarHBondContact O-N 3.2Å; T48-A51 VanDerWaalsContact OG1-CB 3.24Å; T48-A51 WeakPolarHBondContact OG1-CB 3.4Å; T48-E52 PolarHBondContact O-N 2.94Å; T48-E52 VanDerWaalsContact O-N 3.11Å
49P91.5Very high93.8Very high98 Ų9841.8 Ų41.864%0.63623%0.226SC*.Hα-helixtrans-53.4-35.4176.9-26.535.1000113.8E52 A53P49-E52 PolarHBondContact O-N 3.22Å; P49-A53 WeakPolarHBondContact O-CB 3.47Å; P49-A53 PolarHBondContact O-N 3.49Å
50E92.8Very high93.6Very high134 Ų13446.8 Ų46.863%0.62626%0.256SS*.Hα-helixtrans-65.5-40.9178.7-61.471.4-154.700111.6T48 A53 E54T48-E50 WeakPolarHBondContact CB-OE2 3.48Å; T48-E50 PolarHBondContact O-N 3.26Å; T48-E50 VanDerWaalsContact O-N 3.15Å; E50-A53 PolarHBondContact O-N 3.28Å; E50-E54 WeakPolarHBondContact O-CB 3.35Å; E50-E54 PolarHBondContact O-N 3.08Å
51A92.6Very high93.2Very high6 Ų648.3 Ų48.35%0.0527%0.272CS..Hα-helixtrans-67.7-40177.200000111.7T48 E54 W55T48-A51 WeakPolarHBondContact O-CB 3.37Å; T48-A51 PolarHBondContact O-N 3.2Å; T48-A51 VanDerWaalsContact OG1-CB 3.24Å; T48-A51 WeakPolarHBondContact OG1-CB 3.4Å; A51-E54 PolarHBondContact O-N 3.38Å; A51-W55 WeakPolarHBondContact O-CB 3.44Å; A51-W55 PolarHBondContact O-N 3.43Å
52E92.4Very high93Very high44 Ų4452.1 Ų52.121%0.20630%0.303CS..Hα-helixtrans-64.7-46.8175.1-174.367.6-123.700110.6T48 P49 E54 W55 Q56 K81T48-E52 PolarHBondContact O-N 2.94Å; T48-E52 VanDerWaalsContact O-N 3.11Å; P49-E52 PolarHBondContact O-N 3.22Å; E52-E54 VanDerWaalsContact C-N 3.28Å; E52-E54 PolarHBondContact O-N 3.18Å; E52-W55 WeakPolarHBondContact O-CB 3.48Å; E52-W55 PolarHBondContact O-N 2.92Å; E52-W55 VanDerWaalsContact O-N 3.14Å; E52-Q56 WeakPolarHBondContact O-CG 3.39Å; E52-Q56 PolarHBondContact O-N 3.45Å; E52-Q56 PolarHBondContact OE1-NE2 3.06Å; E52-K81 WeakPolarHBondContact OE2-CE 3.48Å; E52-K81 IonicContact OE2-NZ 3.82Å; E52-K81 PolarHBondContact OE2-NZ 3.14Å
53A93.4Very high93.1Very high56 Ų5655.5 Ų55.546%0.46332%0.318SS..Hα-helixtrans-59.9-40176.700000112P49 E50 Q56 Q57P49-A53 WeakPolarHBondContact O-CB 3.47Å; P49-A53 PolarHBondContact O-N 3.49Å; E50-A53 PolarHBondContact O-N 3.28Å; A53-Q56 PolarHBondContact O-N 3.4Å; A53-Q57 PolarHBondContact O-N 2.96Å
54E94.2Very high93Very high35 Ų3560.1 Ų60.116%0.16434%0.338CS..Hα-helixtrans-63.7-45.2174177.8161.2-148.400111.8L18 S19 E50 A51 E52 Q56 Q57 Y58L18-E54 HydrophobicContact CB-CG 4.09Å; L18-E54 HydrophobicContact CD1-CG 4.34Å; L18-E54 HydrophobicContact CG-CG 4.45Å; L18-E54 PolarHBondContact N-OE2 2.9Å; S19-E54 WeakPolarHBondContact CA-OE1 3.37Å; S19-E54 WeakPolarHBondContact CB-OE1 3.43Å; S19-E54 PolarHBondContact N-OE1 3.19Å; S19-E54 PolarHBondContact OG-OE1 3.3Å; E50-E54 WeakPolarHBondContact O-CB 3.35Å; E50-E54 PolarHBondContact O-N 3.08Å; A51-E54 PolarHBondContact O-N 3.38Å; E52-E54 VanDerWaalsContact C-N 3.28Å; E52-E54 PolarHBondContact O-N 3.18Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.19Å; E54-Q57 WeakPolarHBondContact O-CB 3.36Å; E54-Q57 PolarHBondContact O-N 3.29Å; E54-Q57 VanDerWaalsContact O-N 3.11Å; E54-Y58 HydrophobicContact CG-CE2 4.08Å; E54-Y58 WeakPolarHBondContact O-CD2 3.47Å
55W94.7Very high92.9Very high9 Ų960.2 Ų60.23%0.03434%0.339CS..Hα-helixtrans-59.1-40.4176.7173.8-127.5000112.7L18 F44 F45 A51 E52 Q57 Y58 K59 L91 A92 I95L18-W55 HydrophobicContact CD1-CE3 3.91Å; F44-W55 HydrophobicContact CE1-CZ3 4.28Å; F45-W55 HydrophobicContact CD1-CD2 4.16Å; F45-W55 HydrophobicContact CD1-CG 4.23Å; F45-W55 AromaticContact CE1-CD2 3.47Å; F45-W55 HydrophobicContact CE1-CD2 3.47Å; F45-W55 VanDerWaalsContact CE1-CD2 3.47Å; F45-W55 AromaticContact CE1-CE2 3.41Å; F45-W55 VanDerWaalsContact CE1-CE2 3.41Å; F45-W55 AromaticContact CE1-CE3 3.74Å; F45-W55 HydrophobicContact CE1-CE3 3.74Å; F45-W55 AromaticContact CE1-CG 3.98Å; F45-W55 HydrophobicContact CE1-CG 3.98Å; F45-W55 AromaticContact CE1-CH2 3.93Å; F45-W55 HydrophobicContact CE1-CH2 3.93Å; F45-W55 AromaticContact CE1-CZ2 3.66Å; F45-W55 HydrophobicContact CE1-CZ2 3.66Å; F45-W55 AromaticContact CE1-CZ3 3.96Å; F45-W55 HydrophobicContact CE1-CZ3 3.96Å; F45-W55 AromaticContact CE1-NE1 3.83Å; F45-W55 HydrophobicContact CZ-CD2 4.43Å; F45-W55 AromaticContact CZ-CE2 3.98Å; F45-W55 HydrophobicContact CZ-CH2 4.08Å; F45-W55 AromaticContact CZ-CZ2 3.8Å; F45-W55 HydrophobicContact CZ-CZ2 3.8Å; F45-W55 HydrophobicContact CZ-CZ3 4.49Å; A51-W55 WeakPolarHBondContact O-CB 3.44Å; A51-W55 PolarHBondContact O-N 3.43Å; E52-W55 WeakPolarHBondContact O-CB 3.48Å; E52-W55 PolarHBondContact O-N 2.92Å; E52-W55 VanDerWaalsContact O-N 3.14Å; W55-Q57 PolarHBondContact O-N 3.43Å; W55-Y58 PolarHBondContact O-N 3.44Å; W55-K59 PolarHBondContact O-N 3.48Å; W55-L91 HydrophobicContact CH2-CB 3.72Å; W55-L91 HydrophobicContact CH2-CD1 4.4Å; W55-L91 HydrophobicContact CZ2-CB 3.93Å; W55-L91 HydrophobicContact CZ2-CD1 4.4Å; W55-A92 HydrophobicContact CH2-CB 4.05Å; W55-A92 HydrophobicContact CZ3-CB 4.33Å; W55-I95 HydrophobicContact CH2-CG2 4.46Å; W55-I95 HydrophobicContact CZ3-CD1 3.98Å
56Q93.7Very high92.9Very high76 Ų7661.7 Ų61.736%0.35535%0.349SS..Hα-helixtrans-59.8-31177-65.2-53.5-40.500112.8E52 A53 E54 Y58 K59 T60E52-Q56 WeakPolarHBondContact O-CG 3.39Å; E52-Q56 PolarHBondContact O-N 3.45Å; E52-Q56 PolarHBondContact OE1-NE2 3.06Å; A53-Q56 PolarHBondContact O-N 3.4Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.19Å; Q56-Y58 VanDerWaalsContact C-N 3.31Å; Q56-Y58 PolarHBondContact O-N 3.26Å; Q56-K59 PolarHBondContact O-N 3.49Å; Q56-T60 WeakPolarHBondContact O-CB 3.31Å; Q56-T60 VanDerWaalsContact O-CG2 3.31Å; Q56-T60 WeakPolarHBondContact O-CG2 3.41Å; Q56-T60 PolarHBondContact O-N 3Å; Q56-T60 PolarHBondContact O-OG1 3.43Å
57Q94.9Very high93.1Very high77 Ų7761.9 Ų61.936%0.3635%0.348SS..Hα-helixtrans-65.7-33.6175.4-62.4175.7100112.5A53 E54 W55 T60 G61 A62 K63A53-Q57 PolarHBondContact O-N 2.96Å; E54-Q57 WeakPolarHBondContact O-CB 3.36Å; E54-Q57 PolarHBondContact O-N 3.29Å; E54-Q57 VanDerWaalsContact O-N 3.11Å; W55-Q57 PolarHBondContact O-N 3.43Å; Q57-T60 PolarHBondContact O-OG1 2.68Å; Q57-G61 PolarHBondContact O-N 2.93Å; Q57-A62 HydrophobicContact CB-CB 4.44Å; Q57-A62 WeakPolarHBondContact O-CA 3.32Å; Q57-A62 WeakPolarHBondContact O-CB 3.39Å; Q57-A62 PolarHBondContact O-N 3.49Å; Q57-K63 HydrophobicContact CB-CB 4.44Å; Q57-K63 HydrophobicContact CB-CD 4.24Å; Q57-K63 HydrophobicContact CB-CG 4.27Å; Q57-K63 PolarHBondContact O-N 3.03Å
58Y94.4Very high93.3Very high12 Ų1259.6 Ų59.65%0.04733%0.331CS..Hα-helixtrans-77.2-41.4174.9-70.1-87.8000111.3L18 F22 E54 W55 Q56 T60 G61 K63 I95L18-Y58 HydrophobicContact CB-CD2 4.4Å; L18-Y58 HydrophobicContact CB-CE2 3.72Å; L18-Y58 HydrophobicContact CD1-CD2 3.62Å; L18-Y58 HydrophobicContact CD1-CE2 3.83Å; L18-Y58 HydrophobicContact CD1-CG 4.39Å; L18-Y58 HydrophobicContact CG-CE2 4.43Å; F22-Y58 AromaticContact CD2-CE1 3.74Å; F22-Y58 HydrophobicContact CD2-CE1 3.74Å; F22-Y58 AromaticContact CD2-CZ 3.67Å; F22-Y58 WeakPolarHBondContact CD2-OH 3.38Å; F22-Y58 HydrophobicContact CE2-CD1 4.3Å; F22-Y58 AromaticContact CE2-CE1 3.66Å; F22-Y58 HydrophobicContact CE2-CE1 3.66Å; F22-Y58 AromaticContact CE2-CZ 3.86Å; E54-Y58 HydrophobicContact CG-CE2 4.08Å; E54-Y58 WeakPolarHBondContact O-CD2 3.47Å; W55-Y58 PolarHBondContact O-N 3.44Å; Q56-Y58 VanDerWaalsContact C-N 3.31Å; Q56-Y58 PolarHBondContact O-N 3.26Å; Y58-T60 VanDerWaalsContact C-N 3.3Å; Y58-T60 PolarHBondContact O-N 2.93Å; Y58-G61 PolarHBondContact O-N 2.88Å; Y58-G61 VanDerWaalsContact O-N 3.07Å; Y58-K63 HydrophobicContact CD1-CB 3.85Å; Y58-K63 HydrophobicContact CD2-CB 4.3Å; Y58-K63 HydrophobicContact CE1-CB 3.61Å; Y58-K63 HydrophobicContact CE2-CB 4.07Å; Y58-K63 HydrophobicContact CE2-CD 3.9Å; Y58-K63 HydrophobicContact CG-CB 4.18Å; Y58-I95 HydrophobicContact CD1-CD1 4.15Å; Y58-I95 HydrophobicContact CG-CD1 4.44Å
59K91.9Very high93.6Very high130 Ų13056.4 Ų56.457%0.56531%0.311SS*.Hα-helixtrans-62.5-36.2178.7-165.4176.7-176.8179.20113W55 Q56 G61W55-K59 PolarHBondContact O-N 3.48Å; Q56-K59 PolarHBondContact O-N 3.49Å; K59-G61 VanDerWaalsContact C-N 3.31Å
60T92.9Very high93.8Very high105 Ų10553.4 Ų53.464%0.64429%0.287SS*.THydrogen-bonded Turntrans-81.6-7.6176.252.90000113.7Q56 Q57 Y58 A62Q56-T60 WeakPolarHBondContact O-CB 3.31Å; Q56-T60 VanDerWaalsContact O-CG2 3.31Å; Q56-T60 WeakPolarHBondContact O-CG2 3.41Å; Q56-T60 PolarHBondContact O-N 3Å; Q56-T60 PolarHBondContact O-OG1 3.43Å; Q57-T60 PolarHBondContact O-OG1 2.68Å; Y58-T60 VanDerWaalsContact C-N 3.3Å; Y58-T60 PolarHBondContact O-N 2.93Å; T60-A62 VanDerWaalsContact C-N 3.29Å; T60-A62 PolarHBondContact O-N 2.91Å
61G90.1Very high94Very high33 Ų3347 Ų4734%0.3426%0.257SS..THydrogen-bonded Turntrans78.55.6-176.800000114.9Q57 Y58 K59 K63Q57-G61 PolarHBondContact O-N 2.93Å; Y58-G61 PolarHBondContact O-N 2.88Å; Y58-G61 VanDerWaalsContact O-N 3.07Å; K59-G61 VanDerWaalsContact C-N 3.31Å; G61-K63 PolarHBondContact O-N 2.98Å
62A92Very high94.1Very high80 Ų8046.8 Ų46.866%0.66126%0.255SS*.SBendtrans-64.3-31.9174.600000112.2Q57 T60Q57-A62 HydrophobicContact CB-CB 4.44Å; Q57-A62 WeakPolarHBondContact O-CA 3.32Å; Q57-A62 WeakPolarHBondContact O-CB 3.39Å; Q57-A62 PolarHBondContact O-N 3.49Å; T60-A62 VanDerWaalsContact C-N 3.29Å; T60-A62 PolarHBondContact O-N 2.91Å
63K93.3Very high93.8Very high72 Ų7245 Ų4531%0.31325%0.248SC..SBendtrans-121.8150.4168-72.8-177.3176167.30110S19 Q57 Y58 G61S19-K63 PolarHBondContact OG-NZ 2.67Å; Q57-K63 HydrophobicContact CB-CB 4.44Å; Q57-K63 HydrophobicContact CB-CD 4.24Å; Q57-K63 HydrophobicContact CB-CG 4.27Å; Q57-K63 PolarHBondContact O-N 3.03Å; Y58-K63 HydrophobicContact CD1-CB 3.85Å; Y58-K63 HydrophobicContact CD2-CB 4.3Å; Y58-K63 HydrophobicContact CE1-CB 3.61Å; Y58-K63 HydrophobicContact CE2-CB 4.07Å; Y58-K63 HydrophobicContact CE2-CD 3.9Å; Y58-K63 HydrophobicContact CG-CB 4.18Å; G61-K63 PolarHBondContact O-N 2.98Å
64K92.3Very high93.6Very high113 Ų11342.6 Ų42.649%0.49123%0.229SC..  trans-125.9142.4-180-61-176.5176.2-148.90110.4E93K64-E93 WeakPolarHBondContact CD-OE1 3.19Å; K64-E93 WeakPolarHBondContact CD-OE2 3.35Å; K64-E93 WeakPolarHBondContact CE-OE2 3.17Å; K64-E93 IonicContact NZ-OE1 2.84Å; K64-E93 PolarHBondContact NZ-OE1 3.18Å; K64-E93 IonicContact NZ-OE2 2.8Å; K64-E93 PolarHBondContact NZ-OE2 3.49Å
65A94.6Very high93.3Very high3 Ų341.3 Ų41.33%0.02522%0.224CC..  trans-69.6135.417200000109.5F22 I67 N94 I95F22-A65 HydrophobicContact CD1-CB 4.45Å; F22-A65 HydrophobicContact CE1-CB 3.78Å; F22-A65 HydrophobicContact CE2-CB 4.15Å; F22-A65 HydrophobicContact CZ-CB 3.59Å; A65-I67 PolarHBondContact O-N 3.4Å; A65-N94 HydrophobicContact CB-CB 4Å; A65-N94 PolarHBondContact O-ND2 3.49Å; A65-N94 VanDerWaalsContact O-ND2 3.07Å; A65-I95 HydrophobicContact CB-CD1 4.1Å; A65-I95 HydrophobicContact CB-CG1 3.71Å
66P94.7Very high92.9Very high37 Ų3742.3 Ų42.324%0.2423%0.232CC..SBendtrans-75.2-4-174.632.5-37.3000113.9F22 V25 Q26F22-P66 HydrophobicContact CB-CG 4.04Å; F22-P66 HydrophobicContact CD1-CG 3.88Å; F22-P66 HydrophobicContact CG-CG 4.25Å; V25-P66 HydrophobicContact CB-CG 4.43Å; V25-P66 HydrophobicContact CG1-CG 4.03Å; Q26-P66 HydrophobicContact CG-CB 3.59Å; Q26-P66 HydrophobicContact CG-CG 3.94Å
67I95.4Very high92.6Very high12 Ų1244 Ų446%0.06224%0.24CC..SBendtrans-157.7153.7-176.4-171.2171.4000108.5V25 F35 L38 A65 T69V25-I67 HydrophobicContact CG1-CG2 3.93Å; F35-I67 HydrophobicContact CB-CD1 3.58Å; F35-I67 WeakPolarHBondContact O-CD1 3.17Å; L38-I67 HydrophobicContact CB-CG2 3.71Å; L38-I67 HydrophobicContact CD2-CG2 4.26Å; A65-I67 PolarHBondContact O-N 3.4Å; I67-T69 PolarHBondContact O-N 3.39Å; I67-T69 VanDerWaalsContact O-N 3.1Å; I67-T69 PolarHBondContact O-OG1 2.92Å
68Q95.8Very high92.2Very high52 Ų5246 Ų4624%0.24325%0.249CC..  trans-56.9116.6171.5-16862.33800110.2L37 L38 Y70 T96L37-Q68 WeakPolarHBondContact CA-O 3.39Å; L38-Q68 PolarHBondContact N-O 3.39Å; Q68-Y70 HydrophobicContact CG-CD2 4.49Å; Q68-Y70 HydrophobicContact CG-CE1 4.32Å; Q68-Y70 HydrophobicContact CG-CE2 3.71Å; Q68-T96 PolarHBondContact NE2-OG1 3.08Å
69T97.2Very high92Very high0 Ų045.5 Ų45.50%025%0.248CC..EExtended strand (participates in β ladder)trans-115.9118.9-172.6-57.60000109.6F22 L38 F44 I67 I71 N94 I95 T96F22-T69 HydrophobicContact CE1-CG2 4.44Å; L38-T69 HydrophobicContact CB-CG2 4.37Å; L38-T69 HydrophobicContact CD2-CG2 3.86Å; L38-T69 HydrophobicContact CG-CG2 4.08Å; L38-T69 CarbonylContact O-C 3.43Å; L38-T69 WeakPolarHBondContact O-CA 3.43Å; F44-T69 HydrophobicContact CE2-CG2 4.48Å; I67-T69 PolarHBondContact O-N 3.39Å; I67-T69 VanDerWaalsContact O-N 3.1Å; I67-T69 PolarHBondContact O-OG1 2.92Å; T69-I71 HydrophobicContact CG2-CG2 4.12Å; T69-N94 WeakPolarHBondContact CB-O 3.34Å; T69-N94 PolarHBondContact N-O 2.92Å; T69-I95 WeakPolarHBondContact O-CA 3.24Å; T69-T96 PolarHBondContact O-N 2.87Å
70Y97.1Very high91.8Very high35 Ų3540.9 Ų40.914%0.13723%0.23CC..EExtended strand (participates in β ladder)trans-103.7129176.6-62.1-75.3000110.2L37 L38 L39 C40 Q68 T96 L98 F104L37-Y70 HydrophobicContact CB-CD2 4.22Å; L37-Y70 HydrophobicContact CB-CE2 4Å; L37-Y70 HydrophobicContact CD1-CD2 4.28Å; L38-Y70 PolarHBondContact O-N 3.09Å; L39-Y70 HydrophobicContact CD2-CD2 3.96Å; L39-Y70 HydrophobicContact CD2-CG 4.32Å; C40-Y70 PolarHBondContact N-O 3.13Å; Q68-Y70 HydrophobicContact CG-CD2 4.49Å; Q68-Y70 HydrophobicContact CG-CE1 4.32Å; Q68-Y70 HydrophobicContact CG-CE2 3.71Å; Y70-T96 CarbonylContact C-O 3.52Å; Y70-T96 VanDerWaalsContact CA-O 3.32Å; Y70-T96 WeakPolarHBondContact CA-O 3.41Å; Y70-T96 HydrophobicContact CD1-CG2 4.31Å; Y70-T96 HydrophobicContact CE1-CG2 4.36Å; Y70-L98 HydrophobicContact CD1-CD2 3.49Å; Y70-L98 VanDerWaalsContact CD1-CD2 3.49Å; Y70-L98 HydrophobicContact CD1-CG 4.16Å; Y70-L98 HydrophobicContact CE1-CD2 4.2Å; Y70-L98 HydrophobicContact CG-CD2 4.09Å; Y70-L98 HydrophobicContact CG-CG 4.45Å; Y70-F104 HydrophobicContact CE1-CE2 4.09Å; Y70-F104 HydrophobicContact CE1-CZ 4.02Å; Y70-F104 HydrophobicContact CE2-CE1 4.44Å; Y70-F104 HydrophobicContact CE2-CZ 4.39Å; Y70-F104 AromaticContact CZ-CZ 3.67Å; Y70-F104 WeakPolarHBondContact OH-CZ 3.27Å
71I96.3Very high91.7Very high0 Ų042.7 Ų42.70%023%0.229CC..EExtended strand (participates in β ladder)trans-119147.9-177.873.9171.5000111.4C40 F44 F45 T69 F83 L91 I95 T96 Y97 L98C40-I71 HydrophobicContact CB-CB 4.43Å; C40-I71 HydrophobicContact CB-CG2 4.02Å; F44-I71 HydrophobicContact CB-CB 4.39Å; F44-I71 HydrophobicContact CB-CD1 4.28Å; F44-I71 HydrophobicContact CB-CG2 4.43Å; F44-I71 HydrophobicContact CD1-CD1 3.75Å; F44-I71 HydrophobicContact CD1-CG2 4.15Å; F44-I71 HydrophobicContact CD2-CB 4.41Å; F44-I71 HydrophobicContact CD2-CG2 3.59Å; F44-I71 HydrophobicContact CE1-CD1 4.28Å; F44-I71 HydrophobicContact CE1-CG2 4.28Å; F44-I71 HydrophobicContact CE2-CG2 3.74Å; F44-I71 HydrophobicContact CG-CB 4.26Å; F44-I71 HydrophobicContact CG-CD1 4.07Å; F44-I71 HydrophobicContact CG-CG2 3.8Å; F44-I71 HydrophobicContact CZ-CG2 4.07Å; F45-I71 HydrophobicContact CE2-CD1 4.01Å; F45-I71 HydrophobicContact CZ-CD1 4.09Å; T69-I71 HydrophobicContact CG2-CG2 4.12Å; I71-F83 HydrophobicContact CD1-CE1 3.94Å; I71-F83 HydrophobicContact CD1-CZ 4.42Å; I71-F83 HydrophobicContact CG1-CE1 4.5Å; I71-L91 HydrophobicContact CD1-CD1 3.67Å; I71-I95 HydrophobicContact CG2-CG2 4.36Å; I71-T96 PolarHBondContact N-O 2.98Å; I71-Y97 HydrophobicContact CG1-CD2 4.42Å; I71-L98 PolarHBondContact O-N 3.42Å; I71-L98 VanDerWaalsContact O-N 3.08Å
72L94.1Very high91.6Very high2 Ų242.1 Ų42.11%0.0122%0.218CC..PPolyproline II helixtrans-82.4169.4169.9-60.9-169.7000111.7C40 V41 L98 Y114 L155C40-L72 PolarHBondContact O-N 2.93Å; V41-L72 HydrophobicContact CB-CD1 4.24Å; V41-L72 WeakPolarHBondContact O-CD1 3.29Å; L72-L98 HydrophobicContact CD2-CD1 4.34Å; L72-Y114 HydrophobicContact CD2-CD2 4.2Å; L72-Y114 HydrophobicContact CD2-CG 4.22Å; L72-L155 HydrophobicContact CD1-CB 4.04Å; L72-L155 HydrophobicContact CD2-CB 4.14Å; L72-L155 HydrophobicContact CD2-CD1 4.39Å
73G87.8Confident91.4Very high5 Ų539.4 Ų39.45%0.05219%0.192CC..PPolyproline II helixtrans-69.6165.3179.100000113.7Y97G73-Y97 VanDerWaalsContact CA-CE2 3.43Å
74A88.1Confident90.9Very high7 Ų740.8 Ų40.86%0.05821%0.208CC..PPolyproline II helixtrans-48.4137.2178.100000112.6T79 V80 F83 G117 H128A74-T79 WeakPolarHBondContact CB-OG1 3.06Å; A74-V80 HydrophobicContact CB-CG2 3.88Å; A74-F83 HydrophobicContact CB-CD2 3.88Å; A74-F83 HydrophobicContact CB-CE2 3.56Å; A74-F83 HydrophobicContact CB-CZ 4.4Å; A74-G117 VanDerWaalsContact O-CA 3.3Å; A74-G117 WeakPolarHBondContact O-CA 3.3Å; A74-H128 HydrophobicContact CB-CB 4Å; A74-H128 WeakPolarHBondContact O-CB 3.45Å
75A87Confident90.2Very high7 Ų737.8 Ų37.86%0.05820%0.201CC..SBendtrans-100.6-8.2172.900000113.1E43 L198E43-A75 HydrophobicContact CB-CB 4.37Å; E43-A75 PolarHBondContact OE2-N 3.47Å; A75-L198 HydrophobicContact CB-CD1 3.98Å; A75-L198 HydrophobicContact CB-CD2 3.5Å; A75-L198 HydrophobicContact CB-CG 4.42Å
76S87.6Confident89.2Confident31 Ų3140.6 Ų40.622%0.21722%0.22CC..SBendtrans-137.7158.9-177.360.90000110.9E43 E78 T79 V80E43-S76 PolarHBondContact OE2-N 3.06Å; E43-S76 PolarHBondContact OE2-OG 2.78Å; S76-E78 VanDerWaalsContact C-N 3.29Å; S76-E78 WeakPolarHBondContact CB-OE2 3.16Å; S76-E78 PolarHBondContact O-N 2.96Å; S76-T79 PolarHBondContact O-OG1 3.05Å; S76-T79 WeakPolarHBondContact OG-CG2 2.99Å; S76-T79 PolarHBondContact OG-OG1 2.84Å; S76-T79 VanDerWaalsContact OG-OG1 3.08Å; S76-V80 WeakPolarHBondContact O-CG2 3.48Å
77Q86.8Confident88.4Confident110 Ų11044.7 Ų44.751%0.51424%0.24SC..THydrogen-bonded Turntrans-69.5-31.7-177.6-176.759.727.700111.6T79 V80 H128Q77-T79 VanDerWaalsContact C-N 3.31Å; Q77-T79 PolarHBondContact O-N 2.94Å; Q77-V80 PolarHBondContact O-N 3.12Å; Q77-H128 PolarHBondContact OE1-CE1 2.77Å; Q77-H128 VanDerWaalsContact OE1-CE1 3.28Å; Q77-H128 PolarHBondContact OE1-ND1 2.94Å
78E87.4Confident87.9Confident120 Ų12046.2 Ų46.256%0.56126%0.259SS*.THydrogen-bonded Turntrans-67.5-29.8-177.5-61.489.1163.500112.8V47 S76 K81V47-E78 HydrophobicContact CG1-CB 3.57Å; V47-E78 HydrophobicContact CG1-CG 4.22Å; S76-E78 VanDerWaalsContact C-N 3.29Å; S76-E78 WeakPolarHBondContact CB-OE2 3.16Å; S76-E78 PolarHBondContact O-N 2.96Å; E78-K81 WeakPolarHBondContact O-CG 3.36Å
79T89.2Confident87.7Confident2 Ų245 Ų451%0.01226%0.256CS..THydrogen-bonded Turntrans-90.9-12-17859.70000113.3E43 F45 V47 A74 S76 Q77 K81 N82 F83E43-T79 HydrophobicContact CG-CG2 4.39Å; E43-T79 PolarHBondContact OE1-OG1 2.89Å; E43-T79 PolarHBondContact OE2-OG1 3.13Å; F45-T79 HydrophobicContact CB-CG2 3.9Å; V47-T79 HydrophobicContact CG1-CG2 4.33Å; A74-T79 WeakPolarHBondContact CB-OG1 3.06Å; S76-T79 PolarHBondContact O-OG1 3.05Å; S76-T79 WeakPolarHBondContact OG-CG2 2.99Å; S76-T79 PolarHBondContact OG-OG1 2.84Å; S76-T79 VanDerWaalsContact OG-OG1 3.08Å; Q77-T79 VanDerWaalsContact C-N 3.31Å; Q77-T79 PolarHBondContact O-N 2.94Å; T79-K81 PolarHBondContact O-N 3.11Å; T79-K81 VanDerWaalsContact O-N 3.17Å; T79-N82 WeakPolarHBondContact O-CB 3.33Å; T79-N82 PolarHBondContact O-N 2.91Å; T79-F83 VanDerWaalsContact O-CD2 3.31Å; T79-F83 WeakPolarHBondContact O-CD2 3.42Å; T79-F83 WeakPolarHBondContact O-CE2 3.18Å
80V89.1Confident87.5Confident32 Ų3251.1 Ų51.119%0.19429%0.285CS..G310 helixtrans-53.9-37.7177.8176.20000112.2A74 S76 Q77 N82 F83 A127 H128A74-V80 HydrophobicContact CB-CG2 3.88Å; S76-V80 WeakPolarHBondContact O-CG2 3.48Å; Q77-V80 PolarHBondContact O-N 3.12Å; V80-N82 PolarHBondContact O-N 3.38Å; V80-F83 PolarHBondContact O-N 3.29Å; V80-A127 HydrophobicContact CG1-CB 3.85Å; V80-A127 HydrophobicContact CG2-CB 4.4Å; V80-H128 HydrophobicContact CG2-CB 3.75Å
81K89.6Confident87.3Confident143 Ų14350.6 Ų50.662%0.62229%0.285SS*.G310 helixtrans-55.6-22.8-179.868.7-179.5-175.91600114E52 E78 T79 F83E52-K81 WeakPolarHBondContact OE2-CE 3.48Å; E52-K81 IonicContact OE2-NZ 3.82Å; E52-K81 PolarHBondContact OE2-NZ 3.14Å; E78-K81 WeakPolarHBondContact O-CG 3.36Å; T79-K81 PolarHBondContact O-N 3.11Å; T79-K81 VanDerWaalsContact O-N 3.17Å; K81-F83 VanDerWaalsContact C-N 3.31Å
82N87.4Confident87.2Confident21 Ų2151.2 Ų51.211%0.11229%0.289CS..G310 helixtrans-85.2-6.8-177.8-64.1-31.6000112.8F45 T79 V80F45-N82 WeakPolarHBondContact CB-ND2 3.48Å; F45-N82 HydrophobicContact CD1-CB 4.19Å; F45-N82 HydrophobicContact CD2-CB 3.59Å; F45-N82 HydrophobicContact CE1-CB 4.21Å; F45-N82 HydrophobicContact CE2-CB 3.58Å; F45-N82 HydrophobicContact CG-CB 3.9Å; F45-N82 WeakPolarHBondContact CG-ND2 3.26Å; F45-N82 HydrophobicContact CZ-CB 3.91Å; T79-N82 WeakPolarHBondContact O-CB 3.33Å; T79-N82 PolarHBondContact O-N 2.91Å; V80-N82 PolarHBondContact O-N 3.38Å
83F89.1Confident87.1Confident24 Ų2455.1 Ų55.111%0.10531%0.307CS..  trans-107.6114.4179.5-60.4-88.7000109.6F45 I71 A74 T79 V80 K81 S85 L91 Y97F45-F83 HydrophobicContact CD2-CD2 4.45Å; F45-F83 HydrophobicContact CD2-CE1 4.47Å; F45-F83 AromaticContact CD2-CE2 3.58Å; F45-F83 HydrophobicContact CD2-CE2 3.58Å; F45-F83 AromaticContact CD2-CZ 3.61Å; F45-F83 HydrophobicContact CD2-CZ 3.61Å; F45-F83 HydrophobicContact CE2-CD1 4.44Å; F45-F83 HydrophobicContact CE2-CD2 4.3Å; F45-F83 AromaticContact CE2-CE1 3.83Å; F45-F83 HydrophobicContact CE2-CE1 3.83Å; F45-F83 AromaticContact CE2-CE2 3.65Å; F45-F83 HydrophobicContact CE2-CE2 3.65Å; F45-F83 AromaticContact CE2-CZ 3.41Å; F45-F83 HydrophobicContact CE2-CZ 3.41Å; F45-F83 VanDerWaalsContact CE2-CZ 3.41Å; I71-F83 HydrophobicContact CD1-CE1 3.94Å; I71-F83 HydrophobicContact CD1-CZ 4.42Å; I71-F83 HydrophobicContact CG1-CE1 4.5Å; A74-F83 HydrophobicContact CB-CD2 3.88Å; A74-F83 HydrophobicContact CB-CE2 3.56Å; A74-F83 HydrophobicContact CB-CZ 4.4Å; T79-F83 VanDerWaalsContact O-CD2 3.31Å; T79-F83 WeakPolarHBondContact O-CD2 3.42Å; T79-F83 WeakPolarHBondContact O-CE2 3.18Å; V80-F83 PolarHBondContact O-N 3.29Å; K81-F83 VanDerWaalsContact C-N 3.31Å; F83-S85 PolarHBondContact O-N 3.31Å; F83-L91 HydrophobicContact CD1-CD1 4.48Å; F83-Y97 AromaticContact CD1-CD1 3.93Å; F83-Y97 HydrophobicContact CD1-CD1 3.93Å; F83-Y97 AromaticContact CD1-CD2 3.7Å; F83-Y97 HydrophobicContact CD1-CD2 3.7Å; F83-Y97 HydrophobicContact CD1-CE1 4.08Å; F83-Y97 AromaticContact CD1-CE2 3.88Å; F83-Y97 HydrophobicContact CD1-CE2 3.88Å; F83-Y97 AromaticContact CD1-CG 3.7Å; F83-Y97 HydrophobicContact CD1-CG 3.7Å; F83-Y97 AromaticContact CE1-CD2 3.64Å; F83-Y97 HydrophobicContact CE1-CD2 3.64Å; F83-Y97 AromaticContact CE1-CE2 3.97Å; F83-Y97 HydrophobicContact CE1-CE2 3.97Å; F83-Y97 AromaticContact CE1-CG 4Å; F83-Y97 HydrophobicContact CE1-CG 4Å
84P81.4Confident87.4Confident100 Ų10057.3 Ų57.365%0.64932%0.318SS*.SBendtrans-75.2-24.1-173.129.1-34.3000113.5S89 L91P84-S89 WeakPolarHBondContact CG-OG 3.32Å; P84-L91 VanDerWaalsContact CD-CD2 3.42Å; P84-L91 HydrophobicContact CG-CD2 3.9Å
85S78.3Confident87.8Confident50 Ų5057 Ų5735%0.3532%0.315SS..  trans-144.7158.7-174.650.90000110.8F83 D87 S89 Y97F83-S85 PolarHBondContact O-N 3.31Å; S85-D87 VanDerWaalsContact C-N 3.32Å; S85-D87 WeakPolarHBondContact CB-O 3.36Å; S85-D87 PolarHBondContact OG-O 3.45Å; S85-S89 PolarHBondContact OG-OG 2.87Å; S85-Y97 VanDerWaalsContact O-CE1 3.27Å; S85-Y97 WeakPolarHBondContact O-CE1 3.23Å
86S74.3Confident88.2Confident62 Ų6258 Ų5843%0.43432%0.321SS..SBendtrans-73-30.8168.751.20000112.2Y97 R100S86-Y97 PolarHBondContact O-OH 3.23Å; S86-R100 PolarHBondContact O-N 3.46Å
87D77.1Confident88.6Confident123 Ų12357 Ų5766%0.65831%0.312SS*.EExtended strand (participates in β ladder)trans-87.9135.2179.8-55.7-25.5000108.3S85S85-D87 VanDerWaalsContact C-N 3.32Å; S85-D87 WeakPolarHBondContact CB-O 3.36Å; S85-D87 PolarHBondContact OG-O 3.45Å
88G86.3Confident88.8Confident44 Ų4452.3 Ų52.345%0.45429%0.291SS..EExtended strand (participates in β ladder)trans-50.8146.8-170.700000113.8Y97G88-Y97 CarbonylContact C-O 3.51Å; G88-Y97 WeakPolarHBondContact CA-O 3.24Å
89S91Very high89Confident27 Ų2746.7 Ų46.719%0.18927%0.265CS..EExtended strand (participates in β ladder)trans-151.7154.4-177.849.70000111.8P84 S85 Y97P84-S89 WeakPolarHBondContact CG-OG 3.32Å; S85-S89 PolarHBondContact OG-OG 2.87Å; S89-Y97 PolarHBondContact N-O 3.13Å; S89-Y97 PolarHBondContact O-N 2.62Å
90E93.2Very high88.8Confident129 Ų12949.6 Ų49.660%0.60328%0.276SS*.EExtended strand (participates in β ladder)trans-75.9123.7168.1-169.6173.1-171.700109.2A92E90-A92 WeakPolarHBondContact CG-O 3.26Å
91L92.7Very high88.9Confident24 Ų2451.7 Ų51.713%0.12628%0.28CS..EExtended strand (participates in β ladder)trans-96.6-32.9-176.2-59.7-173.3000112.3F45 W55 I71 F83 P84 I95F45-L91 HydrophobicContact CE2-CD1 4.18Å; F45-L91 HydrophobicContact CZ-CD1 3.75Å; W55-L91 HydrophobicContact CH2-CB 3.72Å; W55-L91 HydrophobicContact CH2-CD1 4.4Å; W55-L91 HydrophobicContact CZ2-CB 3.93Å; W55-L91 HydrophobicContact CZ2-CD1 4.4Å; I71-L91 HydrophobicContact CD1-CD1 3.67Å; F83-L91 HydrophobicContact CD1-CD1 4.48Å; P84-L91 VanDerWaalsContact CD-CD2 3.42Å; P84-L91 HydrophobicContact CG-CD2 3.9Å; L91-I95 PolarHBondContact N-O 3.32Å
92A93.6Very high89Confident12 Ų1245.6 Ų45.610%0.09926%0.258CS..EExtended strand (participates in β ladder)trans-157.8167.9175.500000108.4W55 E90 N94 I95W55-A92 HydrophobicContact CH2-CB 4.05Å; W55-A92 HydrophobicContact CZ3-CB 4.33Å; E90-A92 WeakPolarHBondContact CG-O 3.26Å; A92-N94 PolarHBondContact O-N 2.75Å; A92-I95 HydrophobicContact CB-CB 4.3Å; A92-I95 HydrophobicContact CB-CD1 4.32Å; A92-I95 PolarHBondContact N-O 3.07Å; A92-I95 PolarHBondContact O-N 2.96Å; A92-I95 VanDerWaalsContact O-O 3.11Å
93E92.7Very high89.3Confident84 Ų8447 Ų4739%0.39327%0.267SS..THydrogen-bonded Turntrans-55122.9179.5-172.6177.7162.600111.2K64 I95K64-E93 WeakPolarHBondContact CD-OE1 3.19Å; K64-E93 WeakPolarHBondContact CD-OE2 3.35Å; K64-E93 WeakPolarHBondContact CE-OE2 3.17Å; K64-E93 IonicContact NZ-OE1 2.84Å; K64-E93 PolarHBondContact NZ-OE1 3.18Å; K64-E93 IonicContact NZ-OE2 2.8Å; K64-E93 PolarHBondContact NZ-OE2 3.49Å; E93-I95 PolarHBondContact O-N 2.9Å
94N94.4Very high89.5Confident51 Ų5148.5 Ų48.527%0.27327%0.274SS..THydrogen-bonded Turntrans64.315.6-174.9-57.7-30.5000115.1A65 T69 A92A65-N94 HydrophobicContact CB-CB 4Å; A65-N94 PolarHBondContact O-ND2 3.49Å; A65-N94 VanDerWaalsContact O-ND2 3.07Å; T69-N94 WeakPolarHBondContact CB-O 3.34Å; T69-N94 PolarHBondContact N-O 2.92Å; A92-N94 PolarHBondContact O-N 2.75Å
95I96.5Very high90Very high0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-124.5108.2175.8-56178000109.3F22 F44 W55 Y58 A65 T69 I71 L91 A92 E93F22-I95 HydrophobicContact CE2-CD1 4.32Å; F22-I95 HydrophobicContact CZ-CD1 4.11Å; F44-I95 HydrophobicContact CE1-CG2 4.26Å; F44-I95 HydrophobicContact CZ-CD1 4.47Å; F44-I95 HydrophobicContact CZ-CG2 4.26Å; W55-I95 HydrophobicContact CH2-CG2 4.46Å; W55-I95 HydrophobicContact CZ3-CD1 3.98Å; Y58-I95 HydrophobicContact CD1-CD1 4.15Å; Y58-I95 HydrophobicContact CG-CD1 4.44Å; A65-I95 HydrophobicContact CB-CD1 4.1Å; A65-I95 HydrophobicContact CB-CG1 3.71Å; T69-I95 WeakPolarHBondContact O-CA 3.24Å; I71-I95 HydrophobicContact CG2-CG2 4.36Å; L91-I95 PolarHBondContact N-O 3.32Å; A92-I95 HydrophobicContact CB-CB 4.3Å; A92-I95 HydrophobicContact CB-CD1 4.32Å; A92-I95 PolarHBondContact N-O 3.07Å; A92-I95 PolarHBondContact O-N 2.96Å; A92-I95 VanDerWaalsContact O-O 3.11Å; E93-I95 PolarHBondContact O-N 2.9Å
96T95.6Very high90.3Very high29 Ų2946.4 Ų46.418%0.17826%0.26CS..EExtended strand (participates in β ladder)trans-116.8126-176.6-50.70000110.9Q68 T69 Y70 I71Q68-T96 PolarHBondContact NE2-OG1 3.08Å; T69-T96 PolarHBondContact O-N 2.87Å; Y70-T96 CarbonylContact C-O 3.52Å; Y70-T96 VanDerWaalsContact CA-O 3.32Å; Y70-T96 WeakPolarHBondContact CA-O 3.41Å; Y70-T96 HydrophobicContact CD1-CG2 4.31Å; Y70-T96 HydrophobicContact CE1-CG2 4.36Å; I71-T96 PolarHBondContact N-O 2.98Å
97Y94.8Very high90.7Very high9 Ų949.2 Ų49.24%0.03529%0.287CS..EExtended strand (participates in β ladder)trans-81123.2166.4164.4-124.7000109.7I71 G73 F83 S85 S86 G88 S89 G99 R100I71-Y97 HydrophobicContact CG1-CD2 4.42Å; G73-Y97 VanDerWaalsContact CA-CE2 3.43Å; F83-Y97 AromaticContact CD1-CD1 3.93Å; F83-Y97 HydrophobicContact CD1-CD1 3.93Å; F83-Y97 AromaticContact CD1-CD2 3.7Å; F83-Y97 HydrophobicContact CD1-CD2 3.7Å; F83-Y97 HydrophobicContact CD1-CE1 4.08Å; F83-Y97 AromaticContact CD1-CE2 3.88Å; F83-Y97 HydrophobicContact CD1-CE2 3.88Å; F83-Y97 AromaticContact CD1-CG 3.7Å; F83-Y97 HydrophobicContact CD1-CG 3.7Å; F83-Y97 AromaticContact CE1-CD2 3.64Å; F83-Y97 HydrophobicContact CE1-CD2 3.64Å; F83-Y97 AromaticContact CE1-CE2 3.97Å; F83-Y97 HydrophobicContact CE1-CE2 3.97Å; F83-Y97 AromaticContact CE1-CG 4Å; F83-Y97 HydrophobicContact CE1-CG 4Å; S85-Y97 VanDerWaalsContact O-CE1 3.27Å; S85-Y97 WeakPolarHBondContact O-CE1 3.23Å; S86-Y97 PolarHBondContact O-OH 3.23Å; G88-Y97 CarbonylContact C-O 3.51Å; G88-Y97 WeakPolarHBondContact CA-O 3.24Å; S89-Y97 PolarHBondContact N-O 3.13Å; S89-Y97 PolarHBondContact O-N 2.62Å; Y97-G99 VanDerWaalsContact C-N 3.28Å; Y97-G99 VanDerWaalsContact CE2-CA 3.47Å; Y97-G99 VanDerWaalsContact CE2-N 3.29Å; Y97-G99 WeakPolarHBondContact CE2-O 3.35Å; Y97-G99 PolarHBondContact O-N 3.49Å; Y97-G99 WeakPolarHBondContact OH-CA 3.43Å; Y97-R100 PolarHBondContact OH-N 3.43Å
98L92.4Very high91Very high12 Ų1246.4 Ų46.46%0.06328%0.278CS..EExtended strand (participates in β ladder)trans-73-19.9-176.4-70.8175.8000113.3Y70 I71 L72 F104 Y114 L155Y70-L98 HydrophobicContact CD1-CD2 3.49Å; Y70-L98 VanDerWaalsContact CD1-CD2 3.49Å; Y70-L98 HydrophobicContact CD1-CG 4.16Å; Y70-L98 HydrophobicContact CE1-CD2 4.2Å; Y70-L98 HydrophobicContact CG-CD2 4.09Å; Y70-L98 HydrophobicContact CG-CG 4.45Å; I71-L98 PolarHBondContact O-N 3.42Å; I71-L98 VanDerWaalsContact O-N 3.08Å; L72-L98 HydrophobicContact CD2-CD1 4.34Å; L98-F104 HydrophobicContact CD2-CB 4.19Å; L98-F104 HydrophobicContact CD2-CD2 4.15Å; L98-F104 HydrophobicContact CD2-CG 4.19Å; L98-Y114 HydrophobicContact CB-CD1 4.29Å; L98-Y114 HydrophobicContact CB-CD2 3.81Å; L98-Y114 HydrophobicContact CB-CE1 4.01Å; L98-Y114 HydrophobicContact CB-CE2 3.48Å; L98-Y114 VanDerWaalsContact CB-CE2 3.48Å; L98-Y114 HydrophobicContact CB-CG 4.22Å; L98-Y114 HydrophobicContact CD1-CD1 3.92Å; L98-Y114 HydrophobicContact CD1-CD2 4.4Å; L98-Y114 HydrophobicContact CD1-CE1 4.27Å; L98-Y114 HydrophobicContact CD1-CG 4.01Å; L98-Y114 VanDerWaalsContact O-CE2 3.31Å; L98-Y114 WeakPolarHBondContact O-CE2 3.47Å; L98-Y114 PolarHBondContact O-OH 3.07Å; L98-L155 HydrophobicContact CD1-CD1 4.36Å
99G89.6Confident91Very high2 Ų245.3 Ų45.32%0.02127%0.266CS..EExtended strand (participates in β ladder)trans107.7171.6-169.700000112Y97 R101 Y114Y97-G99 VanDerWaalsContact C-N 3.28Å; Y97-G99 VanDerWaalsContact CE2-CA 3.47Å; Y97-G99 VanDerWaalsContact CE2-N 3.29Å; Y97-G99 WeakPolarHBondContact CE2-O 3.35Å; Y97-G99 PolarHBondContact O-N 3.49Å; Y97-G99 WeakPolarHBondContact OH-CA 3.43Å; G99-R101 VanDerWaalsContact C-N 3.33Å; G99-R101 PolarHBondContact O-N 2.81Å; G99-Y114 WeakPolarHBondContact O-CE2 3.39Å
100R86.1Confident91.1Very high64 Ų6444.1 Ų44.124%0.24226%0.258CS..SBendtrans-65.3-39.3-177.5-174-179.7-66.1167.25.2111.8S86 Y97 G116 A127S86-R100 PolarHBondContact O-N 3.46Å; Y97-R100 PolarHBondContact OH-N 3.43Å; R100-G116 PolarHBondContact O-N 2.99Å; R100-A127 PolarHBondContact NE-O 3.36Å; R100-A127 PolarHBondContact NH2-O 2.73Å; R100-A127 VanDerWaalsContact NH2-O 3.14Å
101R90.9Very high91.1Very high76 Ų7640.5 Ų40.529%0.28724%0.241SC..EExtended strand (participates in β ladder)trans-150.9161.8174.263.8163.2175.3-77.720.7109.8G99 Y114 V115 D134G99-R101 VanDerWaalsContact C-N 3.33Å; G99-R101 PolarHBondContact O-N 2.81Å; R101-Y114 VanDerWaalsContact CA-O 3.25Å; R101-Y114 WeakPolarHBondContact CA-O 3.16Å; R101-V115 HydrophobicContact CB-CG2 4.49Å; R101-D134 WeakPolarHBondContact CD-O 3.36Å; R101-D134 VanDerWaalsContact CZ-CB 3.5Å; R101-D134 IonicContact CZ-OD1 2.8Å; R101-D134 PolarHBondContact NE-O 2.89Å; R101-D134 IonicContact NH1-OD1 3.11Å; R101-D134 PolarHBondContact NH1-OD1 3.23Å; R101-D134 IonicContact NH1-OD2 2.98Å; R101-D134 IonicContact NH2-OD1 2.61Å; R101-D134 PolarHBondContact NH2-OD1 2.74Å
102G92.3Very high91.2Very high15 Ų1539.4 Ų39.416%0.15524%0.235CC..EExtended strand (participates in β ladder)trans157.1-164.1168.700000113.5Y114 L138G102-Y114 PolarHBondContact N-O 3.01Å; G102-Y114 VanDerWaalsContact N-O 3.09Å; G102-Y114 WeakPolarHBondContact O-CD1 3.39Å; G102-Y114 WeakPolarHBondContact O-CE1 3.32Å; G102-Y114 PolarHBondContact O-N 3.35Å; G102-L138 WeakPolarHBondContact O-CD1 3.32Å
103V93.4Very high91.4Very high50 Ų5038.8 Ų38.830%0.30323%0.23SC..EExtended strand (participates in β ladder)trans-128.4124.7178.2-172.90000107.5Q111 L112 L138 L142V103-Q111 HydrophobicContact CG1-CG 3.88Å; V103-L112 CarbonylContact C-O 3.59Å; V103-L112 VanDerWaalsContact CA-O 3.29Å; V103-L112 WeakPolarHBondContact CA-O 3.49Å; V103-L138 HydrophobicContact CG2-CD1 3.64Å; V103-L142 HydrophobicContact CB-CD2 4.33Å; V103-L142 HydrophobicContact CG1-CD2 3.89Å; V103-L142 HydrophobicContact CG2-CD1 3.81Å; V103-L142 HydrophobicContact CG2-CD2 3.5Å; V103-L142 VanDerWaalsContact CG2-CD2 3.5Å; V103-L142 HydrophobicContact CG2-CG 3.66Å
104F93Very high91.5Very high56 Ų5635.9 Ų35.925%0.24622%0.216CC..EExtended strand (participates in β ladder)trans-110.8128173.3173.4-91.7000108.8Y70 L98 L112 Y114Y70-F104 HydrophobicContact CE1-CE2 4.09Å; Y70-F104 HydrophobicContact CE1-CZ 4.02Å; Y70-F104 HydrophobicContact CE2-CE1 4.44Å; Y70-F104 HydrophobicContact CE2-CZ 4.39Å; Y70-F104 AromaticContact CZ-CZ 3.67Å; Y70-F104 WeakPolarHBondContact OH-CZ 3.27Å; L98-F104 HydrophobicContact CD2-CB 4.19Å; L98-F104 HydrophobicContact CD2-CD2 4.15Å; L98-F104 HydrophobicContact CD2-CG 4.19Å; F104-L112 HydrophobicContact CB-CB 4.27Å; F104-L112 HydrophobicContact CD1-CB 4.5Å; F104-L112 HydrophobicContact CD1-CD1 3.58Å; F104-L112 HydrophobicContact CD1-CG 4.05Å; F104-L112 HydrophobicContact CE1-CD1 4.24Å; F104-L112 HydrophobicContact CG-CD1 4.42Å; F104-L112 PolarHBondContact N-O 3.13Å; F104-L112 PolarHBondContact O-N 3.43Å; F104-Y114 HydrophobicContact CB-CE1 4.05Å
105T91.4Very high91.6Very high88 Ų8833.5 Ų33.554%0.5420%0.203SC..EExtended strand (participates in β ladder)trans-114.5113.4174.8-55.10000108.5L110T105-L110 WeakPolarHBondContact CA-O 3.46Å
106G84.4Confident91.4Very high17 Ų1733.6 Ų33.618%0.17520%0.204CC..  trans-72.4164.9177.900000112.4S108 G109 L110G106-S108 PolarHBondContact O-N 3.23Å; G106-G109 WeakPolarHBondContact O-CA 3.37Å; G106-G109 PolarHBondContact O-N 2.94Å; G106-L110 PolarHBondContact N-O 3.21Å
107A82.7Confident91.1Very high121 Ų12132.2 Ų32.2100%120%0.195SC*.THydrogen-bonded Turntrans-59.5-28.1178.700000113.5G109A107-G109 PolarHBondContact O-N 3.06Å
108S84.4Confident90.9Very high65 Ų6537.1 Ų37.146%0.45521%0.214SC..THydrogen-bonded Turntrans-72.8-6.2173.756.80000114V6 G106 L110V6-S108 WeakPolarHBondContact CG2-OG 3.33Å; G106-S108 PolarHBondContact O-N 3.23Å; S108-L110 VanDerWaalsContact C-N 3.33Å
109G86.7Confident90.8Very high20 Ų2039.4 Ų39.421%0.20622%0.224CC..  trans82.96.3-172.100000114.3G106 A107 Q111G106-G109 WeakPolarHBondContact O-CA 3.37Å; G106-G109 PolarHBondContact O-N 2.94Å; A107-G109 PolarHBondContact O-N 3.06Å; G109-Q111 PolarHBondContact O-N 3.42Å
110L91.6Very high90.8Very high3 Ų340.4 Ų40.42%0.01623%0.232CC..  trans-65124.7173.2-174.671.8000110.6V6 V8 L37 T105 G106 S108 L112 D152 I153 I244 P246V6-L110 HydrophobicContact CG1-CD2 4.19Å; V8-L110 HydrophobicContact CG2-CD2 4.28Å; L37-L110 HydrophobicContact CD2-CD2 4.3Å; T105-L110 WeakPolarHBondContact CA-O 3.46Å; G106-L110 PolarHBondContact N-O 3.21Å; S108-L110 VanDerWaalsContact C-N 3.33Å; L110-L112 HydrophobicContact CD2-CD2 4.02Å; L110-L112 HydrophobicContact CG-CD2 4.2Å; L110-D152 HydrophobicContact CD1-CB 3.58Å; L110-D152 HydrophobicContact CG-CB 4.44Å; L110-I153 HydrophobicContact CD2-CD1 4.33Å; L110-I244 HydrophobicContact CD1-CD1 4.18Å; L110-I244 HydrophobicContact CD1-CG1 4.36Å; L110-I244 HydrophobicContact CD1-CG2 3.76Å; L110-I244 HydrophobicContact CD2-CG2 4.44Å; L110-P246 HydrophobicContact CB-CG 4.06Å; L110-P246 HydrophobicContact CD1-CG 4.26Å
111Q93.8Very high90.5Very high53 Ų5345.3 Ų45.325%0.24826%0.262CS..EExtended strand (participates in β ladder)trans-106115.5-177.3-169.1177.1-8.800112.2V103 G109 D152 I153V103-Q111 HydrophobicContact CG1-CG 3.88Å; G109-Q111 PolarHBondContact O-N 3.42Å; Q111-D152 PolarHBondContact N-OD2 3.21Å; Q111-D152 WeakPolarHBondContact O-CB 3.33Å; Q111-D152 PolarHBondContact O-N 3.11Å; Q111-I153 PolarHBondContact O-N 3.37Å
112L95.4Very high89.8Confident0 Ų049.4 Ų49.40%029%0.285CS..EExtended strand (participates in β ladder)trans-104124.8176.1-48.1178.1000109.5L39 V103 F104 L110 I153L39-L112 HydrophobicContact CD1-CD1 4.44Å; L39-L112 HydrophobicContact CD1-CD2 4.24Å; L39-L112 HydrophobicContact CD2-CD1 3.9Å; V103-L112 CarbonylContact C-O 3.59Å; V103-L112 VanDerWaalsContact CA-O 3.29Å; V103-L112 WeakPolarHBondContact CA-O 3.49Å; F104-L112 HydrophobicContact CB-CB 4.27Å; F104-L112 HydrophobicContact CD1-CB 4.5Å; F104-L112 HydrophobicContact CD1-CD1 3.58Å; F104-L112 HydrophobicContact CD1-CG 4.05Å; F104-L112 HydrophobicContact CE1-CD1 4.24Å; F104-L112 HydrophobicContact CG-CD1 4.42Å; F104-L112 PolarHBondContact N-O 3.13Å; F104-L112 PolarHBondContact O-N 3.43Å; L110-L112 HydrophobicContact CD2-CD2 4.02Å; L110-L112 HydrophobicContact CG-CD2 4.2Å; L112-I153 WeakPolarHBondContact CA-O 3.27Å; L112-I153 HydrophobicContact CD2-CB 3.62Å; L112-I153 HydrophobicContact CD2-CD1 3.65Å; L112-I153 HydrophobicContact CD2-CG1 3.87Å; L112-I153 HydrophobicContact CD2-CG2 4.42Å
113A96.6Very high88.9Confident0 Ų056.8 Ų56.80%032%0.315CS..EExtended strand (participates in β ladder)trans-100.2139.7162.200000108.8L142 V151 I153 L154 L155 L189A113-L142 HydrophobicContact CB-CD1 4.06Å; A113-V151 HydrophobicContact CB-CG1 4.2Å; A113-V151 HydrophobicContact CB-CG2 4.24Å; A113-I153 PolarHBondContact N-O 3.24Å; A113-L154 HydrophobicContact CB-CD1 4Å; A113-L154 CarbonylContact O-C 3.22Å; A113-L154 WeakPolarHBondContact O-CA 3.15Å; A113-L155 PolarHBondContact O-N 2.64Å; A113-L189 HydrophobicContact CB-CD1 3.99Å
114Y96.1Very high88.2Confident22 Ų2260.5 Ų60.59%0.08634%0.34CS..EExtended strand (participates in β ladder)trans-142.9147.6-177.159-86.5000113.4L72 L98 G99 R101 G102 F104 L155L72-Y114 HydrophobicContact CD2-CD2 4.2Å; L72-Y114 HydrophobicContact CD2-CG 4.22Å; L98-Y114 HydrophobicContact CB-CD1 4.29Å; L98-Y114 HydrophobicContact CB-CD2 3.81Å; L98-Y114 HydrophobicContact CB-CE1 4.01Å; L98-Y114 HydrophobicContact CB-CE2 3.48Å; L98-Y114 VanDerWaalsContact CB-CE2 3.48Å; L98-Y114 HydrophobicContact CB-CG 4.22Å; L98-Y114 HydrophobicContact CD1-CD1 3.92Å; L98-Y114 HydrophobicContact CD1-CD2 4.4Å; L98-Y114 HydrophobicContact CD1-CE1 4.27Å; L98-Y114 HydrophobicContact CD1-CG 4.01Å; L98-Y114 VanDerWaalsContact O-CE2 3.31Å; L98-Y114 WeakPolarHBondContact O-CE2 3.47Å; L98-Y114 PolarHBondContact O-OH 3.07Å; G99-Y114 WeakPolarHBondContact O-CE2 3.39Å; R101-Y114 VanDerWaalsContact CA-O 3.25Å; R101-Y114 WeakPolarHBondContact CA-O 3.16Å; G102-Y114 PolarHBondContact N-O 3.01Å; G102-Y114 VanDerWaalsContact N-O 3.09Å; G102-Y114 WeakPolarHBondContact O-CD1 3.39Å; G102-Y114 WeakPolarHBondContact O-CE1 3.32Å; G102-Y114 PolarHBondContact O-N 3.35Å; F104-Y114 HydrophobicContact CB-CE1 4.05Å; Y114-L155 CarbonylContact C-O 3.58Å; Y114-L155 VanDerWaalsContact CA-O 3.28Å; Y114-L155 WeakPolarHBondContact CA-O 3.3Å
115V95.3Very high87.6Confident1 Ų159.4 Ų59.41%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-141113.3172-177.30000108.6R101 F130 L135 L138 L155 T156 S157 I182 L185R101-V115 HydrophobicContact CB-CG2 4.49Å; V115-F130 HydrophobicContact CG1-CB 3.87Å; V115-F130 HydrophobicContact CG1-CD1 3.65Å; V115-F130 HydrophobicContact CG1-CD2 4.23Å; V115-F130 HydrophobicContact CG1-CE1 4.25Å; V115-F130 HydrophobicContact CG1-CG 3.65Å; V115-L135 HydrophobicContact CB-CD2 4.38Å; V115-L135 HydrophobicContact CG1-CD2 3.87Å; V115-L135 HydrophobicContact CG2-CD2 3.71Å; V115-L138 HydrophobicContact CG2-CD2 3.53Å; V115-L155 PolarHBondContact N-O 2.88Å; V115-T156 HydrophobicContact CB-CG2 4.45Å; V115-T156 WeakPolarHBondContact O-CA 3.47Å; V115-S157 PolarHBondContact O-N 3.25Å; V115-I182 HydrophobicContact CG1-CD1 4.5Å; V115-L185 HydrophobicContact CG2-CD2 3.71Å
116G92.3Very high87.2Confident2 Ų257.7 Ų57.72%0.02133%0.332CS..  trans-90.1153.817700000112.7R100R100-G116 PolarHBondContact O-N 2.99Å
117G90.5Very high87.2Confident0 Ų059.2 Ų59.20%034%0.343CS..SBendtrans89.4-159171.300000115.1A74 H128 S157A74-G117 VanDerWaalsContact O-CA 3.3Å; A74-G117 WeakPolarHBondContact O-CA 3.3Å; G117-H128 VanDerWaalsContact CA-O 3.27Å; G117-H128 WeakPolarHBondContact CA-O 3.28Å; G117-S157 PolarHBondContact N-OG 3.13Å
118R90.9Very high87.2Confident113 Ų11355 Ų5543%0.42630%0.303SS..EExtended strand (participates in β ladder)trans-114.8155.5-176.7-65.1-173.7171.9-140.5-4.6112.4A120 H128 C129 F130 Q158 L198R118-A120 PolarHBondContact O-N 3.1Å; R118-H128 PolarHBondContact N-O 3.11Å; R118-H128 VanDerWaalsContact N-O 3.14Å; R118-C129 CarbonylContact O-C 3.25Å; R118-C129 WeakPolarHBondContact O-CA 3.32Å; R118-C129 VanDerWaalsContact O-CB 3.24Å; R118-C129 WeakPolarHBondContact O-CB 3.19Å; R118-F130 VanDerWaalsContact C-CD1 3.49Å; R118-F130 WeakPolarHBondContact O-CD1 3.31Å; R118-F130 PolarHBondContact O-N 2.91Å; R118-Q158 HydrophobicContact CB-CG 4.42Å; R118-Q158 HydrophobicContact CG-CG 4.07Å; R118-L198 HydrophobicContact CG-CD1 4.18Å
119E90.4Very high87.4Confident60 Ų6052.4 Ų52.428%0.2828%0.284SS..EExtended strand (participates in β ladder)trans-64.2129.2173.8-174.6167.6-158.800110.9F130 S179 S181E119-F130 HydrophobicContact CB-CE1 4.42Å; E119-F130 HydrophobicContact CB-CE2 3.77Å; E119-F130 HydrophobicContact CB-CZ 3.65Å; E119-F130 HydrophobicContact CG-CE2 4.1Å; E119-F130 HydrophobicContact CG-CZ 4.47Å; E119-F130 VanDerWaalsContact N-CE1 3.31Å; E119-S179 VanDerWaalsContact OE2-CB 3.31Å; E119-S179 WeakPolarHBondContact OE2-CB 3.48Å; E119-S179 PolarHBondContact OE2-OG 3.39Å; E119-S181 VanDerWaalsContact OE1-CB 3.23Å; E119-S181 WeakPolarHBondContact OE1-CB 3.45Å; E119-S181 PolarHBondContact OE1-OG 3.01Å
120A88.3Confident87.6Confident22 Ų2251.5 Ų51.518%0.18227%0.274CS..  trans-67.9131.5176.900000111.1R118 A125 C129 F130 T131R118-A120 PolarHBondContact O-N 3.1Å; A120-A125 HydrophobicContact CB-CB 3.63Å; A120-C129 HydrophobicContact CB-CB 3.85Å; A120-F130 PolarHBondContact N-O 3.16Å; A120-T131 HydrophobicContact CB-CG2 4.28Å
121L80.9Confident87.5Confident168 Ų16852.4 Ų52.488%0.8828%0.28SS*.SBendtrans-90.8-17.9176.1-63175.5000113.1
122Q74.8Confident87.2Confident162 Ų16252.9 Ų52.976%0.75729%0.289SS*.SBendtrans-146.9152.3-175.8-62.1-179.18.700110.2
123E74.8Confident86.8Confident169 Ų16960.3 Ų60.379%0.7932%0.322SS*.SBendtrans-104.5139.9171.5-66.4-161.8174.600110.7
124P78.3Confident86.3Confident129 Ų12961.1 Ų61.184%0.83833%0.326SS*.SBendcis-73.7139.22.729.6-33.7000112.8
125A80.4Confident86.1Confident32 Ų3260.6 Ų60.626%0.26433%0.325SS..PPolyproline II helixtrans-68.7134-175.200000112.2A120 T131A120-A125 HydrophobicContact CB-CB 3.63Å; A125-T131 HydrophobicContact CB-CG2 3.31Å
126P83.6Confident85.8Confident52 Ų5263 Ų6334%0.33834%0.341SS..PPolyproline II helixtrans-58.8157.3173.6-24.934.2000113H128 C129P126-H128 WeakPolarHBondContact CB-CE1 3.43Å; P126-H128 PolarHBondContact O-N 2.78Å; P126-H128 VanDerWaalsContact O-N 3.16Å; P126-C129 HydrophobicContact CB-CB 4.49Å; P126-C129 PolarHBondContact O-N 3.23Å
127A82.6Confident85.6Confident50 Ų5066 Ų6641%0.41336%0.359SS..THydrogen-bonded Turntrans-63.8-23.5-176.500000114.7V80 R100 C129V80-A127 HydrophobicContact CG1-CB 3.85Å; V80-A127 HydrophobicContact CG2-CB 4.4Å; R100-A127 PolarHBondContact NE-O 3.36Å; R100-A127 PolarHBondContact NH2-O 2.73Å; R100-A127 VanDerWaalsContact NH2-O 3.14Å; A127-C129 VanDerWaalsContact C-N 3.34Å
128H83.1Confident85.7Confident33 Ų3366.2 Ų66.215%0.15336%0.36CS..THydrogen-bonded Turntrans-89.24.4175.664.1-89.9000113.4A74 Q77 V80 G117 R118 P126A74-H128 HydrophobicContact CB-CB 4Å; A74-H128 WeakPolarHBondContact O-CB 3.45Å; Q77-H128 PolarHBondContact OE1-CE1 2.77Å; Q77-H128 VanDerWaalsContact OE1-CE1 3.28Å; Q77-H128 PolarHBondContact OE1-ND1 2.94Å; V80-H128 HydrophobicContact CG2-CB 3.75Å; G117-H128 VanDerWaalsContact CA-O 3.27Å; G117-H128 WeakPolarHBondContact CA-O 3.28Å; R118-H128 PolarHBondContact N-O 3.11Å; R118-H128 VanDerWaalsContact N-O 3.14Å; P126-H128 WeakPolarHBondContact CB-CE1 3.43Å; P126-H128 PolarHBondContact O-N 2.78Å; P126-H128 VanDerWaalsContact O-N 3.16Å
129C89.4Confident85.7Confident9 Ų961.4 Ų61.46%0.06134%0.344CS..EExtended strand (participates in β ladder)trans-113.8150.9-179.7-660000112.3R118 A120 P126 A127R118-C129 CarbonylContact O-C 3.25Å; R118-C129 WeakPolarHBondContact O-CA 3.32Å; R118-C129 VanDerWaalsContact O-CB 3.24Å; R118-C129 WeakPolarHBondContact O-CB 3.19Å; A120-C129 HydrophobicContact CB-CB 3.85Å; P126-C129 HydrophobicContact CB-CB 4.49Å; P126-C129 PolarHBondContact O-N 3.23Å; A127-C129 VanDerWaalsContact C-N 3.34Å
130F90.4Very high85.6Confident1 Ų163.4 Ų63.40%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-104.7151.7167.264.9-96.8000110.4V115 R118 E119 A120 L135 I182V115-F130 HydrophobicContact CG1-CB 3.87Å; V115-F130 HydrophobicContact CG1-CD1 3.65Å; V115-F130 HydrophobicContact CG1-CD2 4.23Å; V115-F130 HydrophobicContact CG1-CE1 4.25Å; V115-F130 HydrophobicContact CG1-CG 3.65Å; R118-F130 VanDerWaalsContact C-CD1 3.49Å; R118-F130 WeakPolarHBondContact O-CD1 3.31Å; R118-F130 PolarHBondContact O-N 2.91Å; E119-F130 HydrophobicContact CB-CE1 4.42Å; E119-F130 HydrophobicContact CB-CE2 3.77Å; E119-F130 HydrophobicContact CB-CZ 3.65Å; E119-F130 HydrophobicContact CG-CE2 4.1Å; E119-F130 HydrophobicContact CG-CZ 4.47Å; E119-F130 VanDerWaalsContact N-CE1 3.31Å; A120-F130 PolarHBondContact N-O 3.16Å; F130-L135 HydrophobicContact CD2-CD1 4.1Å; F130-L135 HydrophobicContact CD2-CD2 4.09Å; F130-L135 HydrophobicContact CD2-CG 4.08Å; F130-L135 HydrophobicContact CE2-CD1 3.96Å; F130-L135 HydrophobicContact CE2-CD2 4.45Å; F130-L135 HydrophobicContact CE2-CG 4.43Å; F130-I182 HydrophobicContact CE1-CD1 4.1Å; F130-I182 HydrophobicContact CE1-CG1 4.44Å; F130-I182 HydrophobicContact CE2-CD1 3.9Å; F130-I182 HydrophobicContact CE2-CG1 4.28Å; F130-I182 HydrophobicContact CZ-CD1 3.53Å; F130-I182 HydrophobicContact CZ-CG1 3.68Å
131T89.8Confident85.6Confident22 Ų2265.7 Ų65.714%0.13537%0.371CS..  trans-110.6167.3178.5660000112A120 A125 K133 D134 L135A120-T131 HydrophobicContact CB-CG2 4.28Å; A125-T131 HydrophobicContact CB-CG2 3.31Å; T131-K133 VanDerWaalsContact C-N 3.26Å; T131-K133 PolarHBondContact O-N 3.37Å; T131-D134 PolarHBondContact N-OD2 3.33Å; T131-D134 VanDerWaalsContact O-CB 3.3Å; T131-D134 WeakPolarHBondContact O-CB 3.31Å; T131-D134 PolarHBondContact O-N 3.05Å; T131-D134 VanDerWaalsContact O-N 3.1Å; T131-D134 PolarHBondContact OG1-N 3.23Å; T131-D134 PolarHBondContact OG1-OD1 2.58Å; T131-D134 PolarHBondContact OG1-OD2 3.1Å; T131-L135 PolarHBondContact O-N 3.16Å
132S86.6Confident85.8Confident63 Ų6358.3 Ų58.344%0.44133%0.333SS..Hα-helixtrans-59.5-37.5172.9-1770000112.5D134 L135 S136S132-D134 PolarHBondContact O-N 3.2Å; S132-L135 PolarHBondContact O-N 2.86Å; S132-S136 PolarHBondContact O-N 2.79Å; S132-S136 PolarHBondContact O-OG 3.23Å
133K86.8Confident86.2Confident157 Ų15753.2 Ų53.268%0.68331%0.312SS*.Hα-helixtrans-61.5-34.9175.5-172.8176.6-179.2177.70111.9T131 S136 T137T131-K133 VanDerWaalsContact C-N 3.26Å; T131-K133 PolarHBondContact O-N 3.37Å; K133-S136 WeakPolarHBondContact CA-OG 3.25Å; K133-S136 PolarHBondContact O-OG 2.92Å; K133-T137 WeakPolarHBondContact O-CB 3.48Å; K133-T137 PolarHBondContact O-N 2.78Å; K133-T137 VanDerWaalsContact O-N 3.07Å; K133-T137 PolarHBondContact O-OG1 3.02Å
134D87.8Confident86.2Confident16 Ų1649.8 Ų49.89%0.08631%0.307CS..Hα-helixtrans-66-44.3178.4-60.5-30000111.4R101 T131 S132 L138R101-D134 WeakPolarHBondContact CD-O 3.36Å; R101-D134 VanDerWaalsContact CZ-CB 3.5Å; R101-D134 IonicContact CZ-OD1 2.8Å; R101-D134 PolarHBondContact NE-O 2.89Å; R101-D134 IonicContact NH1-OD1 3.11Å; R101-D134 PolarHBondContact NH1-OD1 3.23Å; R101-D134 IonicContact NH1-OD2 2.98Å; R101-D134 IonicContact NH2-OD1 2.61Å; R101-D134 PolarHBondContact NH2-OD1 2.74Å; T131-D134 PolarHBondContact N-OD2 3.33Å; T131-D134 VanDerWaalsContact O-CB 3.3Å; T131-D134 WeakPolarHBondContact O-CB 3.31Å; T131-D134 PolarHBondContact O-N 3.05Å; T131-D134 VanDerWaalsContact O-N 3.1Å; T131-D134 PolarHBondContact OG1-N 3.23Å; T131-D134 PolarHBondContact OG1-OD1 2.58Å; T131-D134 PolarHBondContact OG1-OD2 3.1Å; S132-D134 PolarHBondContact O-N 3.2Å; D134-L138 PolarHBondContact O-N 3.17Å
135L91Very high85.9Confident12 Ų1246.7 Ų46.76%0.06329%0.288CS..Hα-helixtrans-67.7-42.6177.2-59.9-175.8000112.4V115 F130 T131 S132 T137 L138 V139 I182 L185V115-L135 HydrophobicContact CB-CD2 4.38Å; V115-L135 HydrophobicContact CG1-CD2 3.87Å; V115-L135 HydrophobicContact CG2-CD2 3.71Å; F130-L135 HydrophobicContact CD2-CD1 4.1Å; F130-L135 HydrophobicContact CD2-CD2 4.09Å; F130-L135 HydrophobicContact CD2-CG 4.08Å; F130-L135 HydrophobicContact CE2-CD1 3.96Å; F130-L135 HydrophobicContact CE2-CD2 4.45Å; F130-L135 HydrophobicContact CE2-CG 4.43Å; T131-L135 PolarHBondContact O-N 3.16Å; S132-L135 PolarHBondContact O-N 2.86Å; L135-T137 VanDerWaalsContact C-N 3.3Å; L135-T137 PolarHBondContact O-N 3.23Å; L135-L138 PolarHBondContact O-N 3.44Å; L135-V139 WeakPolarHBondContact O-CG2 3.27Å; L135-V139 PolarHBondContact O-N 2.54Å; L135-I182 HydrophobicContact CD2-CD1 4.47Å; L135-L185 HydrophobicContact CD2-CD1 4.38Å; L135-L185 HydrophobicContact CD2-CD2 3.99Å
136S88.4Confident85Confident51 Ų5150.1 Ų50.136%0.35731%0.31SS..Hα-helixtrans-63.6-38.6178.866.30000111.7S132 K133 L138 V139 N140S132-S136 PolarHBondContact O-N 2.79Å; S132-S136 PolarHBondContact O-OG 3.23Å; K133-S136 WeakPolarHBondContact CA-OG 3.25Å; K133-S136 PolarHBondContact O-OG 2.92Å; S136-L138 PolarHBondContact O-N 3.36Å; S136-V139 PolarHBondContact O-N 3.33Å; S136-N140 VanDerWaalsContact O-CB 3.32Å; S136-N140 WeakPolarHBondContact O-CB 3.49Å; S136-N140 PolarHBondContact O-N 3.46Å; S136-N140 PolarHBondContact O-ND2 3.21Å
137T89.6Confident84.4Confident65 Ų6554.4 Ų54.440%0.39932%0.324SS..Hα-helixtrans-61.3-45.1174.5-52.80000111.3K133 L135 N140 S141K133-T137 WeakPolarHBondContact O-CB 3.48Å; K133-T137 PolarHBondContact O-N 2.78Å; K133-T137 VanDerWaalsContact O-N 3.07Å; K133-T137 PolarHBondContact O-OG1 3.02Å; L135-T137 VanDerWaalsContact C-N 3.3Å; L135-T137 PolarHBondContact O-N 3.23Å; T137-N140 PolarHBondContact O-N 2.9Å; T137-S141 WeakPolarHBondContact O-CB 3.39Å; T137-S141 PolarHBondContact O-N 2.95Å; T137-S141 PolarHBondContact O-OG 3.25Å
138L90.8Very high84.5Confident4 Ų454.4 Ų54.42%0.02132%0.315CS..Hα-helixtrans-65.5-41.8178.8177.161000112.3G102 V103 V115 D134 L135 S136 S141 L142 L185 L189G102-L138 WeakPolarHBondContact O-CD1 3.32Å; V103-L138 HydrophobicContact CG2-CD1 3.64Å; V115-L138 HydrophobicContact CG2-CD2 3.53Å; D134-L138 PolarHBondContact O-N 3.17Å; L135-L138 PolarHBondContact O-N 3.44Å; S136-L138 PolarHBondContact O-N 3.36Å; L138-S141 PolarHBondContact O-OG 2.65Å; L138-L142 HydrophobicContact CD1-CD1 4.08Å; L138-L142 HydrophobicContact CG-CD1 4.45Å; L138-L142 PolarHBondContact O-N 2.93Å; L138-L185 HydrophobicContact CD2-CD1 4.35Å; L138-L189 HydrophobicContact CD2-CD1 4.49Å
139V91.4Very high84.5Confident12 Ų1259.7 Ų59.77%0.07333%0.333CS..Hα-helixtrans-62.2-53.1175.4170.30000109.6L135 S136 S141 L142 T143 L185 K188 L189L135-V139 WeakPolarHBondContact O-CG2 3.27Å; L135-V139 PolarHBondContact O-N 2.54Å; S136-V139 PolarHBondContact O-N 3.33Å; V139-S141 VanDerWaalsContact C-N 3.29Å; V139-S141 PolarHBondContact O-N 3.2Å; V139-L142 PolarHBondContact O-N 2.83Å; V139-T143 HydrophobicContact CG1-CG2 3.88Å; V139-T143 WeakPolarHBondContact O-CB 3.36Å; V139-T143 WeakPolarHBondContact O-CG2 3.44Å; V139-T143 PolarHBondContact O-N 3.1Å; V139-T143 PolarHBondContact O-OG1 2.66Å; V139-L185 HydrophobicContact CG2-CD1 3.66Å; V139-K188 HydrophobicContact CG1-CB 4.27Å; V139-K188 HydrophobicContact CG1-CD 3.96Å; V139-K188 HydrophobicContact CG2-CB 4.33Å; V139-K188 HydrophobicContact CG2-CD 4.21Å; V139-L189 HydrophobicContact CG2-CD2 4.27Å
140N89.3Confident84.6Confident102 Ų10259.6 Ų59.655%0.54533%0.334SS..Hα-helixtrans-60.9-37.3-176-69-14000112.6S136 T137 L142 S144S136-N140 VanDerWaalsContact O-CB 3.32Å; S136-N140 WeakPolarHBondContact O-CB 3.49Å; S136-N140 PolarHBondContact O-N 3.46Å; S136-N140 PolarHBondContact O-ND2 3.21Å; T137-N140 PolarHBondContact O-N 2.9Å; N140-L142 VanDerWaalsContact C-N 3.27Å; N140-L142 PolarHBondContact O-N 2.83Å; N140-S144 WeakPolarHBondContact O-CB 3.36Å; N140-S144 PolarHBondContact O-N 2.74Å; N140-S144 VanDerWaalsContact O-N 3.11Å; N140-S144 PolarHBondContact O-OG 3.06Å
141S87.6Confident84.8Confident71 Ų7159.6 Ų59.650%0.49733%0.334SS..Hα-helixtrans-64.1-33.3177.770.60000112.5T137 L138 V139 S144T137-S141 WeakPolarHBondContact O-CB 3.39Å; T137-S141 PolarHBondContact O-N 2.95Å; T137-S141 PolarHBondContact O-OG 3.25Å; L138-S141 PolarHBondContact O-OG 2.65Å; V139-S141 VanDerWaalsContact C-N 3.29Å; V139-S141 PolarHBondContact O-N 3.2Å; S141-S144 PolarHBondContact O-OG 3.07Å
142L84.9Confident85.1Confident13 Ų1358.6 Ų58.67%0.06833%0.328CS..Hα-helixtrans-87.4-42.1-179.8-73.4174.1000113.3V103 A113 L138 V139 N140 F148 V151 L189V103-L142 HydrophobicContact CB-CD2 4.33Å; V103-L142 HydrophobicContact CG1-CD2 3.89Å; V103-L142 HydrophobicContact CG2-CD1 3.81Å; V103-L142 HydrophobicContact CG2-CD2 3.5Å; V103-L142 VanDerWaalsContact CG2-CD2 3.5Å; V103-L142 HydrophobicContact CG2-CG 3.66Å; A113-L142 HydrophobicContact CB-CD1 4.06Å; L138-L142 HydrophobicContact CD1-CD1 4.08Å; L138-L142 HydrophobicContact CG-CD1 4.45Å; L138-L142 PolarHBondContact O-N 2.93Å; V139-L142 PolarHBondContact O-N 2.83Å; N140-L142 VanDerWaalsContact C-N 3.27Å; N140-L142 PolarHBondContact O-N 2.83Å; L142-F148 HydrophobicContact CB-CD2 4.27Å; L142-F148 HydrophobicContact CB-CE2 3.88Å; L142-F148 HydrophobicContact CB-CZ 4.27Å; L142-F148 HydrophobicContact CD2-CE2 4.4Å; L142-F148 VanDerWaalsContact O-CD2 3.25Å; L142-F148 WeakPolarHBondContact O-CD2 3.28Å; L142-F148 WeakPolarHBondContact O-CG 3.49Å; L142-V151 HydrophobicContact CD1-CG1 4.03Å; L142-L189 HydrophobicContact CB-CD2 4.16Å; L142-L189 HydrophobicContact CD1-CD1 4.11Å; L142-L189 HydrophobicContact CD1-CD2 3.62Å
143T83Confident85.6Confident54 Ų5455.6 Ų55.633%0.33131%0.307SS..Hα-helixtrans-88.7-7.2-172.464.30000113.7V139 S145 F148V139-T143 HydrophobicContact CG1-CG2 3.88Å; V139-T143 WeakPolarHBondContact O-CB 3.36Å; V139-T143 WeakPolarHBondContact O-CG2 3.44Å; V139-T143 PolarHBondContact O-N 3.1Å; V139-T143 PolarHBondContact O-OG1 2.66Å; T143-S145 PolarHBondContact O-N 3.24Å; T143-F148 HydrophobicContact CG2-CD1 3.82Å; T143-F148 HydrophobicContact CG2-CE1 3.85Å; T143-F148 HydrophobicContact CG2-CG 4.5Å
144S76.2Confident86.2Confident98 Ų9848.1 Ų48.169%0.68527%0.274SS*.THydrogen-bonded Turntrans-62.3-23.6174.455.40000113.1N140 S141N140-S144 WeakPolarHBondContact O-CB 3.36Å; N140-S144 PolarHBondContact O-N 2.74Å; N140-S144 VanDerWaalsContact O-N 3.11Å; N140-S144 PolarHBondContact O-OG 3.06Å; S141-S144 PolarHBondContact O-OG 3.07Å
145S72.2Confident86.7Confident63 Ų6347.5 Ų47.544%0.44127%0.271SS..SBendtrans-79.8123.2173.7178.40000111T143 K147 F148T143-S145 PolarHBondContact O-N 3.24Å; S145-K147 PolarHBondContact O-N 2.65Å; S145-K147 PolarHBondContact OG-N 2.97Å; S145-F148 VanDerWaalsContact O-CB 3.31Å; S145-F148 WeakPolarHBondContact O-CB 3.49Å; S145-F148 PolarHBondContact O-N 3.4Å
146S60.8Low86.9Confident104 Ų10447 Ų4773%0.72727%0.268SS*.THydrogen-bonded Turntrans-63.4-5.817559.30000114.6
147K71.4Confident87.3Confident142 Ų14244.5 Ų44.562%0.61725%0.251SS*.THydrogen-bonded Turntrans-103.56.3174.5-62.7-176.2-179.1179.40113.3S145 R149S145-K147 PolarHBondContact O-N 2.65Å; S145-K147 PolarHBondContact OG-N 2.97Å; K147-R149 PolarHBondContact O-N 3.16Å; K147-R149 VanDerWaalsContact O-N 3.07Å
148F84.3Confident87.5Confident50 Ų5043 Ų4322%0.21924%0.24CC..  trans-65110.8179.2-177.5-103.4000110L142 T143 S145 G150 V151 L189L142-F148 HydrophobicContact CB-CD2 4.27Å; L142-F148 HydrophobicContact CB-CE2 3.88Å; L142-F148 HydrophobicContact CB-CZ 4.27Å; L142-F148 HydrophobicContact CD2-CE2 4.4Å; L142-F148 VanDerWaalsContact O-CD2 3.25Å; L142-F148 WeakPolarHBondContact O-CD2 3.28Å; L142-F148 WeakPolarHBondContact O-CG 3.49Å; T143-F148 HydrophobicContact CG2-CD1 3.82Å; T143-F148 HydrophobicContact CG2-CE1 3.85Å; T143-F148 HydrophobicContact CG2-CG 4.5Å; S145-F148 VanDerWaalsContact O-CB 3.31Å; S145-F148 WeakPolarHBondContact O-CB 3.49Å; S145-F148 PolarHBondContact O-N 3.4Å; F148-G150 WeakPolarHBondContact CE2-O 3.42Å; F148-V151 HydrophobicContact CE2-CG1 3.79Å; F148-V151 HydrophobicContact CZ-CG1 3.93Å; F148-L189 HydrophobicContact CZ-CD2 4.08Å
149R84Confident87.7Confident145 Ų14542.9 Ų42.955%0.54724%0.239SC..  trans-96.4-23.4178-74.3-175.6-97.2179.7-2112.2K147 H220 M247K147-R149 PolarHBondContact O-N 3.16Å; K147-R149 VanDerWaalsContact O-N 3.07Å; R149-H220 PolarHBondContact O-CE1 2.86Å; R149-M247 HydrophobicContact CB-CE 4.19Å
150G90.6Very high87.9Confident7 Ų742.3 Ų42.37%0.07224%0.235CC..  trans148.5-173.7-173.900000109.9F148 L189F148-G150 WeakPolarHBondContact CE2-O 3.42Å; G150-L189 VanDerWaalsContact CA-O 3.3Å; G150-L189 WeakPolarHBondContact CA-O 3.48Å
151V94.6Very high88.2Confident0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-117.2153.6173.8-62.60000111.1A113 L142 F148 L154 L189 P191 R192 M247A113-V151 HydrophobicContact CB-CG1 4.2Å; A113-V151 HydrophobicContact CB-CG2 4.24Å; L142-V151 HydrophobicContact CD1-CG1 4.03Å; F148-V151 HydrophobicContact CE2-CG1 3.79Å; F148-V151 HydrophobicContact CZ-CG1 3.93Å; V151-L154 HydrophobicContact CG2-CB 4.43Å; V151-L189 HydrophobicContact CG2-CB 4.39Å; V151-L189 PolarHBondContact N-O 3.48Å; V151-P191 HydrophobicContact CG2-CB 3.73Å; V151-P191 CarbonylContact O-C 3.58Å; V151-P191 VanDerWaalsContact O-CA 3.29Å; V151-P191 WeakPolarHBondContact O-CA 3.39Å; V151-R192 PolarHBondContact O-N 2.98Å; V151-M247 VanDerWaalsContact C-SD 3.57Å
152D96.3Very high88.4Confident2 Ų239.8 Ų39.81%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-65.1-49.7177.3-69.7-68.4000111L110 Q111 R192 Y193 I244 P246 M247L110-D152 HydrophobicContact CD1-CB 3.58Å; L110-D152 HydrophobicContact CG-CB 4.44Å; Q111-D152 PolarHBondContact N-OD2 3.21Å; Q111-D152 WeakPolarHBondContact O-CB 3.33Å; Q111-D152 PolarHBondContact O-N 3.11Å; D152-R192 WeakPolarHBondContact O-CB 3.38Å; D152-R192 PolarHBondContact O-N 3.31Å; D152-R192 IonicContact OD1-NH1 2.74Å; D152-Y193 PolarHBondContact O-N 3.17Å; D152-Y193 VanDerWaalsContact O-N 3.09Å; D152-I244 HydrophobicContact CB-CD1 4Å; D152-P246 WeakPolarHBondContact OD1-CA 3.39Å; D152-M247 VanDerWaalsContact OD1-CG 3.24Å; D152-M247 WeakPolarHBondContact OD1-CG 3.17Å; D152-M247 PolarHBondContact OD1-N 3.2Å
153I97.8Very high88.8Confident0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-138.1130.7-177.1-47.3180000110.1L39 L110 Q111 L112 A113 L155 Y193 F195 F242 I244L39-I153 HydrophobicContact CD1-CD1 4.19Å; L110-I153 HydrophobicContact CD2-CD1 4.33Å; Q111-I153 PolarHBondContact O-N 3.37Å; L112-I153 WeakPolarHBondContact CA-O 3.27Å; L112-I153 HydrophobicContact CD2-CB 3.62Å; L112-I153 HydrophobicContact CD2-CD1 3.65Å; L112-I153 HydrophobicContact CD2-CG1 3.87Å; L112-I153 HydrophobicContact CD2-CG2 4.42Å; A113-I153 PolarHBondContact N-O 3.24Å; I153-L155 HydrophobicContact CG2-CD2 3.52Å; I153-L155 HydrophobicContact CG2-CG 4.27Å; I153-Y193 CarbonylContact C-O 3.57Å; I153-Y193 VanDerWaalsContact CA-O 3.3Å; I153-Y193 WeakPolarHBondContact CA-O 3.36Å; I153-F195 HydrophobicContact CG2-CD2 3.7Å; I153-F195 HydrophobicContact CG2-CE2 4.03Å; I153-F242 HydrophobicContact CD1-CZ 3.8Å; I153-I244 HydrophobicContact CD1-CD1 4.49Å; I153-I244 HydrophobicContact CG1-CD1 4.14Å
154L98.1Very high89.2Confident0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans-104.9126.1166.4176.261.5000109.3A113 V151 T156 L185 A186 L189 P191 Y193 H194 F195A113-L154 HydrophobicContact CB-CD1 4Å; A113-L154 CarbonylContact O-C 3.22Å; A113-L154 WeakPolarHBondContact O-CA 3.15Å; V151-L154 HydrophobicContact CG2-CB 4.43Å; L154-T156 HydrophobicContact CD1-CG2 4.05Å; L154-T156 HydrophobicContact CD2-CG2 4.37Å; L154-T156 HydrophobicContact CG-CG2 3.99Å; L154-L185 HydrophobicContact CD1-CD2 4.05Å; L154-L185 HydrophobicContact CD2-CD2 4.38Å; L154-L185 HydrophobicContact CD2-CG 4.44Å; L154-A186 HydrophobicContact CD2-CB 4.13Å; L154-L189 HydrophobicContact CD1-CD1 4.07Å; L154-P191 HydrophobicContact CB-CB 3.51Å; L154-P191 HydrophobicContact CB-CG 3.8Å; L154-P191 HydrophobicContact CD2-CG 4.03Å; L154-Y193 PolarHBondContact N-O 2.77Å; L154-H194 HydrophobicContact CB-CB 4.47Å; L154-H194 WeakPolarHBondContact O-CA 3.04Å; L154-H194 PolarHBondContact O-CD2 2.77Å; L154-F195 PolarHBondContact O-N 2.84Å
155L97.9Very high89.9Confident2 Ų237.3 Ų37.31%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-110.9120.6176.9-51.1178.4000109.2L39 V41 L72 L98 A113 Y114 V115 I153 F195L39-L155 HydrophobicContact CB-CD1 4.34Å; L39-L155 HydrophobicContact CB-CD2 4.48Å; L39-L155 HydrophobicContact CD1-CD1 4.1Å; L39-L155 HydrophobicContact CD1-CD2 3.91Å; L39-L155 HydrophobicContact CD2-CD1 4.19Å; L39-L155 HydrophobicContact CG-CD1 4.44Å; V41-L155 HydrophobicContact CG1-CB 3.97Å; V41-L155 HydrophobicContact CG1-CD1 4.47Å; V41-L155 HydrophobicContact CG1-CD2 3.55Å; V41-L155 HydrophobicContact CG1-CG 4.19Å; L72-L155 HydrophobicContact CD1-CB 4.04Å; L72-L155 HydrophobicContact CD2-CB 4.14Å; L72-L155 HydrophobicContact CD2-CD1 4.39Å; L98-L155 HydrophobicContact CD1-CD1 4.36Å; A113-L155 PolarHBondContact O-N 2.64Å; Y114-L155 CarbonylContact C-O 3.58Å; Y114-L155 VanDerWaalsContact CA-O 3.28Å; Y114-L155 WeakPolarHBondContact CA-O 3.3Å; V115-L155 PolarHBondContact N-O 2.88Å; I153-L155 HydrophobicContact CG2-CD2 3.52Å; I153-L155 HydrophobicContact CG2-CG 4.27Å; L155-F195 HydrophobicContact CD2-CB 4.21Å; L155-F195 HydrophobicContact CD2-CD2 4.28Å
156T97Very high90.6Very high1 Ų140.7 Ų40.71%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-134.1138.1174.463.80000110.3V115 L154 Q158 I182 L185 H194 F195 A196V115-T156 HydrophobicContact CB-CG2 4.45Å; V115-T156 WeakPolarHBondContact O-CA 3.47Å; L154-T156 HydrophobicContact CD1-CG2 4.05Å; L154-T156 HydrophobicContact CD2-CG2 4.37Å; L154-T156 HydrophobicContact CG-CG2 3.99Å; T156-Q158 WeakPolarHBondContact CB-O 3.42Å; T156-Q158 PolarHBondContact OG1-O 3.2Å; T156-I182 HydrophobicContact CG2-CD1 4.1Å; T156-I182 HydrophobicContact CG2-CG2 3.93Å; T156-L185 HydrophobicContact CG2-CD2 4.27Å; T156-H194 PolarHBondContact OG1-NE2 3.43Å; T156-F195 PolarHBondContact N-O 3.05Å; T156-A196 WeakPolarHBondContact O-CA 3.49Å; T156-A196 WeakPolarHBondContact O-CB 3.14Å
157S94.9Very high91.9Very high0 Ų036.9 Ų36.90%016%0.162CC..SBendtrans-68.7-47.3175.7-52.50000111.2V41 V115 G117 A197 L198V41-S157 VanDerWaalsContact O-CA 3.24Å; V41-S157 WeakPolarHBondContact O-CA 3.35Å; V41-S157 PolarHBondContact O-OG 3.23Å; V115-S157 PolarHBondContact O-N 3.25Å; G117-S157 PolarHBondContact N-OG 3.13Å; S157-A197 CarbonylContact O-C 3.43Å; S157-A197 PolarHBondContact O-N 3Å; S157-A197 VanDerWaalsContact O-N 3.11Å; S157-L198 WeakPolarHBondContact O-CG 3.26Å
158Q94.1Very high92.7Very high34 Ų3433 Ų3316%0.15915%0.147CC..SBendtrans-80.4152.6174.3-75.8-173-3600113.2R118 T156 L198R118-Q158 HydrophobicContact CB-CG 4.42Å; R118-Q158 HydrophobicContact CG-CG 4.07Å; T156-Q158 WeakPolarHBondContact CB-O 3.42Å; T156-Q158 PolarHBondContact OG1-O 3.2Å; Q158-L198 HydrophobicContact CG-CD1 3.89Å
159W95.6Very high92.8Very high0 Ų037 Ų370%017%0.171CC..PPolyproline II helixtrans-73.3149.9173.7-72.234000111.5V163 P170 V172 G178 S179 A196 A197 E199 Y203 F224 A226W159-V163 HydrophobicContact CE3-CG1 3.92Å; W159-V163 HydrophobicContact CZ3-CG1 4.45Å; W159-P170 HydrophobicContact CH2-CB 4.42Å; W159-P170 HydrophobicContact CZ3-CB 4.14Å; W159-V172 HydrophobicContact CH2-CG1 4.13Å; W159-V172 HydrophobicContact CH2-CG2 4.04Å; W159-V172 HydrophobicContact CZ3-CG2 3.84Å; W159-G178 CarbonylContact O-C 3.51Å; W159-G178 WeakPolarHBondContact O-CA 3.13Å; W159-S179 PolarHBondContact O-N 3.31Å; W159-A196 HydrophobicContact CG-CB 4.29Å; W159-A197 PolarHBondContact NE1-O 2.8Å; W159-E199 HydrophobicContact CD2-CG 3.92Å; W159-E199 HydrophobicContact CG-CG 3.87Å; W159-E199 HydrophobicContact CZ2-CB 3.91Å; W159-E199 HydrophobicContact CZ2-CG 4.19Å; W159-Y203 HydrophobicContact CE3-CD1 4.41Å; W159-Y203 AromaticContact CH2-CD1 3.88Å; W159-Y203 HydrophobicContact CH2-CD1 3.88Å; W159-Y203 AromaticContact CH2-CG 3.97Å; W159-Y203 HydrophobicContact CH2-CG 3.97Å; W159-Y203 AromaticContact CZ3-CD1 3.54Å; W159-Y203 HydrophobicContact CZ3-CD1 3.54Å; W159-Y203 HydrophobicContact CZ3-CE1 4.37Å; W159-Y203 HydrophobicContact CZ3-CG 4.05Å; W159-F224 HydrophobicContact CB-CZ 4.44Å; W159-F224 HydrophobicContact CD2-CE1 4.2Å; W159-F224 AromaticContact CD2-CZ 3.97Å; W159-F224 HydrophobicContact CD2-CZ 3.97Å; W159-F224 HydrophobicContact CE3-CE1 4.02Å; W159-F224 HydrophobicContact CE3-CZ 4.18Å; W159-F224 HydrophobicContact CG-CZ 4.05Å; W159-F224 HydrophobicContact CZ3-CE1 4.36Å; W159-A226 HydrophobicContact CD2-CB 4.05Å; W159-A226 HydrophobicContact CH2-CB 3.71Å; W159-A226 HydrophobicContact CZ2-CB 3.01Å; W159-A226 HydrophobicContact CZ3-CB 4.41Å
160P95.6Very high93Very high0 Ų030.9 Ų30.90%015%0.15CC..BIsolated β-bridgetrans-69.4132.5163.123-25.4000110.9G162 V163 I182 A183 F224 Y267P160-G162 PolarHBondContact O-N 3.21Å; P160-V163 HydrophobicContact CG-CB 3.95Å; P160-V163 HydrophobicContact CG-CG2 4.03Å; P160-V163 WeakPolarHBondContact O-CB 3.31Å; P160-V163 PolarHBondContact O-N 3.19Å; P160-I182 HydrophobicContact CB-CG2 3.94Å; P160-I182 HydrophobicContact CG-CG2 4.45Å; P160-A183 HydrophobicContact CB-CB 4.13Å; P160-F224 HydrophobicContact CG-CD2 4.05Å; P160-F224 HydrophobicContact CG-CE2 3.65Å; P160-F224 HydrophobicContact CG-CZ 4.21Å; P160-Y267 HydrophobicContact CB-CE1 3.67Å; P160-Y267 VanDerWaalsContact CB-OH 3.3Å; P160-Y267 WeakPolarHBondContact CB-OH 3.37Å; P160-Y267 HydrophobicContact CG-CE1 4.25Å; P160-Y267 WeakPolarHBondContact CG-OH 3.48Å
161R94.6Very high92.6Very high116 Ų11637.8 Ų37.844%0.43818%0.181SC..THydrogen-bonded Turntrans-65.2134.8178-169.3165.9-140-1631.8111.6V163 K175 S179 S180 A183R161-V163 VanDerWaalsContact C-N 3.29Å; R161-V163 PolarHBondContact O-N 3.36Å; R161-K175 PolarHBondContact NH2-O 3.13Å; R161-S179 VanDerWaalsContact CB-C 3.47Å; R161-S179 WeakPolarHBondContact CB-O 3.49Å; R161-S179 PolarHBondContact N-O 3.23Å; R161-S180 WeakPolarHBondContact CD-OG 3.31Å; R161-A183 WeakPolarHBondContact O-CB 3.48Å
162G91.8Very high92.1Very high4 Ų438.9 Ų38.94%0.04119%0.187CC..THydrogen-bonded Turntrans77.810.5177.100000114.2P160 W164 Q165 P266P160-G162 PolarHBondContact O-N 3.21Å; G162-W164 PolarHBondContact O-N 3.39Å; G162-Q165 VanDerWaalsContact O-CB 3.29Å; G162-Q165 WeakPolarHBondContact O-CB 3.4Å; G162-Q165 VanDerWaalsContact O-CG 3.24Å; G162-Q165 WeakPolarHBondContact O-CG 3.43Å; G162-Q165 PolarHBondContact O-N 3.07Å; G162-P266 WeakPolarHBondContact O-CB 3.5Å
163V93.7Very high91.4Very high0 Ų043.6 Ų43.60%021%0.212CC..THydrogen-bonded Turntrans-54.7-23.7-178.365.70000114.5W159 P160 R161 Q165 Y203 R205 F224 Y267W159-V163 HydrophobicContact CE3-CG1 3.92Å; W159-V163 HydrophobicContact CZ3-CG1 4.45Å; P160-V163 HydrophobicContact CG-CB 3.95Å; P160-V163 HydrophobicContact CG-CG2 4.03Å; P160-V163 WeakPolarHBondContact O-CB 3.31Å; P160-V163 PolarHBondContact O-N 3.19Å; R161-V163 VanDerWaalsContact C-N 3.29Å; R161-V163 PolarHBondContact O-N 3.36Å; V163-Q165 VanDerWaalsContact C-N 3.33Å; V163-Y203 HydrophobicContact CG1-CE1 4.16Å; V163-R205 WeakPolarHBondContact O-CD 3.26Å; V163-R205 PolarHBondContact O-NE 3.4Å; V163-F224 HydrophobicContact CB-CD1 4.49Å; V163-F224 HydrophobicContact CB-CE1 4.5Å; V163-F224 HydrophobicContact CG1-CD1 4.33Å; V163-F224 HydrophobicContact CG1-CE1 3.97Å; V163-F224 HydrophobicContact CG1-CZ 4.4Å; V163-F224 HydrophobicContact CG2-CB 3.94Å; V163-F224 HydrophobicContact CG2-CD1 3.42Å; V163-F224 VanDerWaalsContact CG2-CD1 3.42Å; V163-F224 HydrophobicContact CG2-CD2 3.95Å; V163-F224 HydrophobicContact CG2-CE1 3.83Å; V163-F224 HydrophobicContact CG2-CE2 4.34Å; V163-F224 HydrophobicContact CG2-CG 3.47Å; V163-F224 VanDerWaalsContact CG2-CG 3.47Å; V163-F224 HydrophobicContact CG2-CZ 4.27Å; V163-Y267 HydrophobicContact CB-CE1 4.27Å; V163-Y267 WeakPolarHBondContact CG2-OH 3.48Å
164W91.8Very high90.6Very high37 Ų3746.2 Ų46.214%0.1423%0.228CC..THydrogen-bonded Turntrans-77.8-11.1176.15485000114.8G162 Y166 G167 P170 T174 C177G162-W164 PolarHBondContact O-N 3.39Å; W164-Y166 PolarHBondContact O-N 3.16Å; W164-G167 PolarHBondContact O-N 2.9Å; W164-G167 VanDerWaalsContact O-N 3.13Å; W164-P170 HydrophobicContact CB-CG 3.99Å; W164-P170 HydrophobicContact CD2-CG 4.3Å; W164-P170 HydrophobicContact CE3-CG 4.06Å; W164-P170 HydrophobicContact CG-CG 4.29Å; W164-T174 HydrophobicContact CD2-CG2 3.69Å; W164-T174 HydrophobicContact CE3-CG2 4.09Å; W164-T174 HydrophobicContact CG-CG2 4.14Å; W164-T174 HydrophobicContact CH2-CG2 4.23Å; W164-T174 VanDerWaalsContact CH2-O 3.25Å; W164-T174 WeakPolarHBondContact CH2-O 3.19Å; W164-T174 HydrophobicContact CZ2-CG2 3.85Å; W164-T174 WeakPolarHBondContact CZ2-O 3.22Å; W164-T174 HydrophobicContact CZ3-CG2 4.34Å; W164-C177 HydrophobicContact CH2-CB 4.32Å; W164-C177 HydrophobicContact CZ3-CB 4.22Å
165Q90.2Very high89.6Confident76 Ų7654.3 Ų54.336%0.35526%0.263SS..THydrogen-bonded Turntrans-58.5138.3179.1-70.918015.600111.3G162 V163 G167 R205 P266G162-Q165 VanDerWaalsContact O-CB 3.29Å; G162-Q165 WeakPolarHBondContact O-CB 3.4Å; G162-Q165 VanDerWaalsContact O-CG 3.24Å; G162-Q165 WeakPolarHBondContact O-CG 3.43Å; G162-Q165 PolarHBondContact O-N 3.07Å; V163-Q165 VanDerWaalsContact C-N 3.33Å; Q165-G167 PolarHBondContact O-N 3.41Å; Q165-R205 PolarHBondContact O-NH2 3.27Å; Q165-P266 HydrophobicContact CB-CB 3.95Å; Q165-P266 PolarHBondContact OE1-O 3.38Å
166Y87.4Confident88.7Confident135 Ų13558.3 Ų58.353%0.52929%0.292SS..THydrogen-bonded Turntrans59.61.2-176.2-44.4-64.5000115.7W164 T263 E264 S265W164-Y166 PolarHBondContact O-N 3.16Å; Y166-T263 WeakPolarHBondContact O-CB 3.42Å; Y166-T263 WeakPolarHBondContact O-CG2 3.39Å; Y166-E264 HydrophobicContact CD2-CB 4.28Å; Y166-S265 WeakPolarHBondContact CE2-O 3.32Å
167G88.1Confident88.1Confident24 Ų2458.3 Ų58.325%0.24729%0.292CS..SBendtrans-113.9-159.3-17900000112.9W164 Q165W164-G167 PolarHBondContact O-N 2.9Å; W164-G167 VanDerWaalsContact O-N 3.13Å; Q165-G167 PolarHBondContact O-N 3.41Å
168N88.9Confident87.8Confident60 Ų6059.1 Ų59.132%0.32130%0.3SS..PPolyproline II helixtrans-74.2153.917152.3-50.2000111.3Y203 E204 R205 L206N168-Y203 WeakPolarHBondContact ND2-CE2 3.27Å; N168-Y203 PolarHBondContact O-OH 2.94Å; N168-E204 PolarHBondContact ND2-O 3.41Å; N168-R205 WeakPolarHBondContact OD1-CA 3.48Å; N168-L206 PolarHBondContact OD1-N 3.33Å
169N86.9Confident87.8Confident135 Ų13557.7 Ų57.772%0.72229%0.294SS*.PPolyproline II helixtrans-86.3137.1180-71.5-43.8000111.3
170P87Confident87.6Confident15 Ų1560.5 Ų60.510%0.09731%0.314CS..PPolyproline II helixtrans-83.9158.7175.435-37.1000111.2W159 W164 V172 T174 Y203W159-P170 HydrophobicContact CH2-CB 4.42Å; W159-P170 HydrophobicContact CZ3-CB 4.14Å; W164-P170 HydrophobicContact CB-CG 3.99Å; W164-P170 HydrophobicContact CD2-CG 4.3Å; W164-P170 HydrophobicContact CE3-CG 4.06Å; W164-P170 HydrophobicContact CG-CG 4.29Å; P170-V172 HydrophobicContact CB-CG2 3.85Å; P170-V172 HydrophobicContact CG-CG2 3.81Å; P170-V172 PolarHBondContact O-N 3.16Å; P170-V172 VanDerWaalsContact O-N 3.17Å; P170-T174 HydrophobicContact CG-CG2 4.02Å; P170-Y203 HydrophobicContact CB-CD1 4.08Å; P170-Y203 HydrophobicContact CB-CD2 3.55Å; P170-Y203 HydrophobicContact CB-CE1 4.34Å; P170-Y203 HydrophobicContact CB-CE2 3.81Å; P170-Y203 HydrophobicContact CB-CG 3.7Å
171E83.1Confident87.4Confident153 Ų15361.8 Ų61.872%0.71532%0.323SS*.SBendtrans-81.522.3174.6-59.5178.5171.200113.3K236E171-K236 IonicContact OE2-NZ 3.78Å; E171-K236 PolarHBondContact OE2-NZ 3.02Å
172V84.1Confident87.5Confident22 Ų2256.2 Ų56.213%0.13330%0.302CS..SBendtrans-110.9160.1-179.3-61.50000111.4W159 P170 T174 C177 E199 A201W159-V172 HydrophobicContact CH2-CG1 4.13Å; W159-V172 HydrophobicContact CH2-CG2 4.04Å; W159-V172 HydrophobicContact CZ3-CG2 3.84Å; P170-V172 HydrophobicContact CB-CG2 3.85Å; P170-V172 HydrophobicContact CG-CG2 3.81Å; P170-V172 PolarHBondContact O-N 3.16Å; P170-V172 VanDerWaalsContact O-N 3.17Å; V172-T174 PolarHBondContact O-N 3.1Å; V172-C177 HydrophobicContact CG2-CB 4.16Å; V172-E199 HydrophobicContact CG1-CB 4.19Å; V172-A201 HydrophobicContact CG1-CB 3.37Å
173N81.4Confident87.6Confident101 Ų10156.6 Ų56.654%0.5430%0.304SS..  trans-7198.4175.6-173.8-9.9000110.8K175 S176 C177N173-K175 PolarHBondContact O-N 3.48Å; N173-K175 VanDerWaalsContact O-N 3.08Å; N173-K175 WeakPolarHBondContact OD1-CB 3.24Å; N173-K175 PolarHBondContact OD1-N 3.45Å; N173-K175 VanDerWaalsContact OD1-N 3.1Å; N173-S176 PolarHBondContact O-N 3.12Å; N173-S176 PolarHBondContact O-OG 2.81Å; N173-C177 WeakPolarHBondContact O-CB 3.42Å; N173-C177 PolarHBondContact O-N 3.44Å
174T80.6Confident87.6Confident55 Ų5559 Ų5934%0.33732%0.321SS..THydrogen-bonded Turntrans-62.2-15.4-178.1540000114.4W164 P170 V172W164-T174 HydrophobicContact CD2-CG2 3.69Å; W164-T174 HydrophobicContact CE3-CG2 4.09Å; W164-T174 HydrophobicContact CG-CG2 4.14Å; W164-T174 HydrophobicContact CH2-CG2 4.23Å; W164-T174 VanDerWaalsContact CH2-O 3.25Å; W164-T174 WeakPolarHBondContact CH2-O 3.19Å; W164-T174 HydrophobicContact CZ2-CG2 3.85Å; W164-T174 WeakPolarHBondContact CZ2-O 3.22Å; W164-T174 HydrophobicContact CZ3-CG2 4.34Å; P170-T174 HydrophobicContact CG-CG2 4.02Å; V172-T174 PolarHBondContact O-N 3.1Å
175K76.8Confident87.8Confident170 Ų17057.5 Ų57.574%0.73932%0.316SS*.THydrogen-bonded Turntrans-76-40.6178-63.6-175.9178.2-178.90112.5R161 N173R161-K175 PolarHBondContact NH2-O 3.13Å; N173-K175 PolarHBondContact O-N 3.48Å; N173-K175 VanDerWaalsContact O-N 3.08Å; N173-K175 WeakPolarHBondContact OD1-CB 3.24Å; N173-K175 PolarHBondContact OD1-N 3.45Å; N173-K175 VanDerWaalsContact OD1-N 3.1Å
176S79.2Confident88Confident87 Ų8753.9 Ų53.961%0.60830%0.299SS*.THydrogen-bonded Turntrans-101.5-15.5-176.455.60000113.7N173N173-S176 PolarHBondContact O-N 3.12Å; N173-S176 PolarHBondContact O-OG 2.81Å
177C85.3Confident88.4Confident0 Ų049.8 Ų49.80%029%0.286CS..  trans-76.2136.4-176.3179.30000112.6W164 V172 N173 E199W164-C177 HydrophobicContact CH2-CB 4.32Å; W164-C177 HydrophobicContact CZ3-CB 4.22Å; V172-C177 HydrophobicContact CG2-CB 4.16Å; N173-C177 WeakPolarHBondContact O-CB 3.42Å; N173-C177 PolarHBondContact O-N 3.44Å; C177-E199 VanDerWaalsContact SG-CD 3.5Å; C177-E199 PolarHBondContact SG-OE1 3.4Å
178G88.3Confident88.6Confident18 Ų1853.9 Ų53.919%0.18630%0.297CS..SBendtrans81.6156.416700000116.1W159W159-G178 CarbonylContact O-C 3.51Å; W159-G178 WeakPolarHBondContact O-CA 3.13Å
179S92.9Very high88.9Confident4 Ų451 Ų513%0.02828%0.282CS..BIsolated β-bridgetrans-102.5134.1-179.6162.20000111.1E119 W159 R161 S181 I182 A183E119-S179 VanDerWaalsContact OE2-CB 3.31Å; E119-S179 WeakPolarHBondContact OE2-CB 3.48Å; E119-S179 PolarHBondContact OE2-OG 3.39Å; W159-S179 PolarHBondContact O-N 3.31Å; R161-S179 VanDerWaalsContact CB-C 3.47Å; R161-S179 WeakPolarHBondContact CB-O 3.49Å; R161-S179 PolarHBondContact N-O 3.23Å; S179-S181 PolarHBondContact O-N 3.17Å; S179-S181 WeakPolarHBondContact OG-CB 3.2Å; S179-S181 PolarHBondContact OG-N 2.84Å; S179-S181 VanDerWaalsContact OG-N 3.12Å; S179-I182 PolarHBondContact O-N 2.82Å; S179-I182 PolarHBondContact OG-N 2.8Å; S179-A183 PolarHBondContact O-N 2.68Å; S179-A183 VanDerWaalsContact O-N 3.08Å
180S92.1Very high89.3Confident58 Ų5846.9 Ų46.941%0.40626%0.257SS..Hα-helixtrans-64.2-32.8173.1-59.90000111.4R161 A183 S184R161-S180 WeakPolarHBondContact CD-OG 3.31Å; S180-A183 WeakPolarHBondContact O-CB 3.28Å; S180-A183 PolarHBondContact O-N 2.82Å; S180-S184 PolarHBondContact O-N 3.36Å
181S92.3Very high89.7Confident27 Ų2746.1 Ų46.119%0.18925%0.253CS..Hα-helixtrans-68.5-38.8178.3-64.40000111.7E119 S179 S184 L185E119-S181 VanDerWaalsContact OE1-CB 3.23Å; E119-S181 WeakPolarHBondContact OE1-CB 3.45Å; E119-S181 PolarHBondContact OE1-OG 3.01Å; S179-S181 PolarHBondContact O-N 3.17Å; S179-S181 WeakPolarHBondContact OG-CB 3.2Å; S179-S181 PolarHBondContact OG-N 2.84Å; S179-S181 VanDerWaalsContact OG-N 3.12Å; S181-S184 PolarHBondContact O-N 3.12Å; S181-L185 WeakPolarHBondContact O-CB 3.38Å; S181-L185 PolarHBondContact O-N 3.04Å
182I95.1Very high90.4Very high0 Ų040 Ų400%022%0.223CC..Hα-helixtrans-69.4-34.8172.6-60.7-59.6000111.9V115 F130 L135 T156 P160 S179 L185 A186V115-I182 HydrophobicContact CG1-CD1 4.5Å; F130-I182 HydrophobicContact CE1-CD1 4.1Å; F130-I182 HydrophobicContact CE1-CG1 4.44Å; F130-I182 HydrophobicContact CE2-CD1 3.9Å; F130-I182 HydrophobicContact CE2-CG1 4.28Å; F130-I182 HydrophobicContact CZ-CD1 3.53Å; F130-I182 HydrophobicContact CZ-CG1 3.68Å; L135-I182 HydrophobicContact CD2-CD1 4.47Å; T156-I182 HydrophobicContact CG2-CD1 4.1Å; T156-I182 HydrophobicContact CG2-CG2 3.93Å; P160-I182 HydrophobicContact CB-CG2 3.94Å; P160-I182 HydrophobicContact CG-CG2 4.45Å; S179-I182 PolarHBondContact O-N 2.82Å; S179-I182 PolarHBondContact OG-N 2.8Å; I182-L185 HydrophobicContact CD1-CD2 4.19Å; I182-L185 WeakPolarHBondContact O-CB 3.09Å; I182-L185 PolarHBondContact O-N 2.97Å; I182-A186 PolarHBondContact O-N 2.7Å
183A94.8Very high91Very high11 Ų1140.2 Ų40.29%0.09122%0.222CC..Hα-helixtrans-61.3-46.2171.700000111.5P160 R161 S179 S180 L185 A186 D187 Y267P160-A183 HydrophobicContact CB-CB 4.13Å; R161-A183 WeakPolarHBondContact O-CB 3.48Å; S179-A183 PolarHBondContact O-N 2.68Å; S179-A183 VanDerWaalsContact O-N 3.08Å; S180-A183 WeakPolarHBondContact O-CB 3.28Å; S180-A183 PolarHBondContact O-N 2.82Å; A183-L185 VanDerWaalsContact C-N 3.28Å; A183-L185 PolarHBondContact O-N 3.42Å; A183-A186 PolarHBondContact O-N 2.98Å; A183-D187 PolarHBondContact O-N 3.37Å; A183-Y267 HydrophobicContact CB-CD1 3.61Å; A183-Y267 HydrophobicContact CB-CE1 3.95Å; A183-Y267 HydrophobicContact CB-CG 4.23Å
184S93.8Very high91.8Very high52 Ų5235.4 Ų35.436%0.36420%0.196SC..Hα-helixtrans-62.9-34.8174-179.60000112.5S180 S181 K188S180-S184 PolarHBondContact O-N 3.36Å; S181-S184 PolarHBondContact O-N 3.12Å; S184-K188 WeakPolarHBondContact O-CG 3.47Å; S184-K188 PolarHBondContact O-N 3.35Å; S184-K188 VanDerWaalsContact O-N 3.15Å; S184-K188 WeakPolarHBondContact OG-CE 3.22Å
185L94.8Very high92.7Very high4 Ų432.8 Ų32.82%0.02118%0.18CC..Hα-helixtrans-65.1-47.7177.5-178.170.4000110.8V115 L135 L138 V139 L154 T156 S181 I182 A183 D187 K188 L189V115-L185 HydrophobicContact CG2-CD2 3.71Å; L135-L185 HydrophobicContact CD2-CD1 4.38Å; L135-L185 HydrophobicContact CD2-CD2 3.99Å; L138-L185 HydrophobicContact CD2-CD1 4.35Å; V139-L185 HydrophobicContact CG2-CD1 3.66Å; L154-L185 HydrophobicContact CD1-CD2 4.05Å; L154-L185 HydrophobicContact CD2-CD2 4.38Å; L154-L185 HydrophobicContact CD2-CG 4.44Å; T156-L185 HydrophobicContact CG2-CD2 4.27Å; S181-L185 WeakPolarHBondContact O-CB 3.38Å; S181-L185 PolarHBondContact O-N 3.04Å; I182-L185 HydrophobicContact CD1-CD2 4.19Å; I182-L185 WeakPolarHBondContact O-CB 3.09Å; I182-L185 PolarHBondContact O-N 2.97Å; A183-L185 VanDerWaalsContact C-N 3.28Å; A183-L185 PolarHBondContact O-N 3.42Å; L185-D187 VanDerWaalsContact C-N 3.33Å; L185-D187 PolarHBondContact O-N 2.95Å; L185-K188 PolarHBondContact O-N 2.88Å; L185-L189 HydrophobicContact CD1-CD1 3.6Å; L185-L189 HydrophobicContact CD1-CG 3.96Å; L185-L189 HydrophobicContact CG-CD1 3.91Å; L185-L189 HydrophobicContact CG-CG 4.34Å; L185-L189 WeakPolarHBondContact O-CB 3.47Å; L185-L189 WeakPolarHBondContact O-CG 3.24Å; L185-L189 PolarHBondContact O-N 3.4Å
186A95.9Very high93.7Very high0 Ų024.7 Ų24.70%015%0.145CC..Hα-helixtrans-62.9-39.5179.400000112L154 I182 A183 K190 P191 Y267L154-A186 HydrophobicContact CD2-CB 4.13Å; I182-A186 PolarHBondContact O-N 2.7Å; A183-A186 PolarHBondContact O-N 2.98Å; A186-K190 PolarHBondContact O-N 3.02Å; A186-P191 VanDerWaalsContact O-CD 3.29Å; A186-P191 WeakPolarHBondContact O-CD 3.46Å; A186-Y267 HydrophobicContact CB-CD2 4.13Å; A186-Y267 HydrophobicContact CB-CE2 3.52Å
187D94.6Very high94.4Very high49 Ų4920.6 Ų20.626%0.26212%0.116SC..Hα-helixtrans-63.7-40.6176.2-16858.2000112.5A183 L185 K190 Y267A183-D187 PolarHBondContact O-N 3.37Å; L185-D187 VanDerWaalsContact C-N 3.33Å; L185-D187 PolarHBondContact O-N 2.95Å; D187-K190 WeakPolarHBondContact O-CG 3.39Å; D187-Y267 HydrophobicContact CB-CD2 4.18Å; D187-Y267 HydrophobicContact CB-CG 4.49Å
188K93.1Very high94.7Very high111 Ų11122 Ų2248%0.48312%0.123SC..Hα-helixtrans-76-41.2179.4-69.7179.9-173.8179.80113.2V139 S184 L185V139-K188 HydrophobicContact CG1-CB 4.27Å; V139-K188 HydrophobicContact CG1-CD 3.96Å; V139-K188 HydrophobicContact CG2-CB 4.33Å; V139-K188 HydrophobicContact CG2-CD 4.21Å; S184-K188 WeakPolarHBondContact O-CG 3.47Å; S184-K188 PolarHBondContact O-N 3.35Å; S184-K188 VanDerWaalsContact O-N 3.15Å; S184-K188 WeakPolarHBondContact OG-CE 3.22Å; L185-K188 PolarHBondContact O-N 2.88Å
189L94.6Very high94.8Very high0 Ų024.5 Ų24.50%013%0.13CC..Hα-helixtrans-83.6-15.8-175.8-66.4-171.3000113.9A113 L138 V139 L142 F148 G150 V151 L154 L185A113-L189 HydrophobicContact CB-CD1 3.99Å; L138-L189 HydrophobicContact CD2-CD1 4.49Å; V139-L189 HydrophobicContact CG2-CD2 4.27Å; L142-L189 HydrophobicContact CB-CD2 4.16Å; L142-L189 HydrophobicContact CD1-CD1 4.11Å; L142-L189 HydrophobicContact CD1-CD2 3.62Å; F148-L189 HydrophobicContact CZ-CD2 4.08Å; G150-L189 VanDerWaalsContact CA-O 3.3Å; G150-L189 WeakPolarHBondContact CA-O 3.48Å; V151-L189 HydrophobicContact CG2-CB 4.39Å; V151-L189 PolarHBondContact N-O 3.48Å; L154-L189 HydrophobicContact CD1-CD1 4.07Å; L185-L189 HydrophobicContact CD1-CD1 3.6Å; L185-L189 HydrophobicContact CD1-CG 3.96Å; L185-L189 HydrophobicContact CG-CD1 3.91Å; L185-L189 HydrophobicContact CG-CG 4.34Å; L185-L189 WeakPolarHBondContact O-CB 3.47Å; L185-L189 WeakPolarHBondContact O-CG 3.24Å; L185-L189 PolarHBondContact O-N 3.4Å
190K95.2Very high94.6Very high47 Ų4725.9 Ų25.920%0.20415%0.145CC..  trans44.462.3176.6-60.3176.7172.7-175.70111.6A186 D187 N210 Q219 H220A186-K190 PolarHBondContact O-N 3.02Å; D187-K190 WeakPolarHBondContact O-CG 3.39Å; K190-N210 HydrophobicContact CB-CB 4.05Å; K190-N210 HydrophobicContact CD-CB 4.06Å; K190-N210 HydrophobicContact CG-CB 3.97Å; K190-Q219 VanDerWaalsContact CD-OE1 3.3Å; K190-H220 PolarHBondContact O-CE1 2.95Å; K190-H220 PolarHBondContact O-NE2 3.47Å
191P96.8Very high94.6Very high0 Ų023.4 Ų23.40%013%0.128CC..EExtended strand (participates in β ladder)trans-74.1146.5-175.331-36.3000112V151 L154 A186 H194 S222V151-P191 HydrophobicContact CG2-CB 3.73Å; V151-P191 CarbonylContact O-C 3.58Å; V151-P191 VanDerWaalsContact O-CA 3.29Å; V151-P191 WeakPolarHBondContact O-CA 3.39Å; L154-P191 HydrophobicContact CB-CB 3.51Å; L154-P191 HydrophobicContact CB-CG 3.8Å; L154-P191 HydrophobicContact CD2-CG 4.03Å; A186-P191 VanDerWaalsContact O-CD 3.29Å; A186-P191 WeakPolarHBondContact O-CD 3.46Å; P191-H194 HydrophobicContact CG-CB 3.94Å; P191-S222 WeakPolarHBondContact O-CA 3.32Å; P191-S222 WeakPolarHBondContact O-CB 3.31Å; P191-S222 PolarHBondContact O-OG 3.31Å
192R96.4Very high94.7Very high24 Ų2423.9 Ų23.99%0.09113%0.127CC..EExtended strand (participates in β ladder)trans-68.9-38.2169.8-71.2177.866.6-164.45.6112.1V151 D152 H220 S222 R223 V245 M247 M250 L255V151-R192 PolarHBondContact O-N 2.98Å; D152-R192 WeakPolarHBondContact O-CB 3.38Å; D152-R192 PolarHBondContact O-N 3.31Å; D152-R192 IonicContact OD1-NH1 2.74Å; R192-H220 HydrophobicContact CG-CB 4.3Å; R192-H220 WeakPolarHBondContact CG-CD2 3.38Å; R192-S222 WeakPolarHBondContact O-CA 3.38Å; R192-R223 PolarHBondContact O-N 2.88Å; R192-V245 PolarHBondContact NH1-O 2.87Å; R192-M247 HydrophobicContact CG-CG 4.16Å; R192-M247 HydrophobicContact CG-SD 3.8Å; R192-M250 VanDerWaalsContact CZ-SD 3.59Å; R192-M250 PolarHBondContact NH2-SD 3.01Å; R192-L255 HydrophobicContact CG-CD1 4.44Å
193Y97.9Very high94.7Very high27 Ų2724.3 Ų24.311%0.10613%0.129CC..EExtended strand (participates in β ladder)trans-128132.4173.1-69.9-95000110.2D152 I153 L154 F195 R223 I225 F242 I244D152-Y193 PolarHBondContact O-N 3.17Å; D152-Y193 VanDerWaalsContact O-N 3.09Å; I153-Y193 CarbonylContact C-O 3.57Å; I153-Y193 VanDerWaalsContact CA-O 3.3Å; I153-Y193 WeakPolarHBondContact CA-O 3.36Å; L154-Y193 PolarHBondContact N-O 2.77Å; Y193-F195 HydrophobicContact CD1-CE2 4.21Å; Y193-F195 HydrophobicContact CD1-CZ 4.02Å; Y193-F195 HydrophobicContact CG-CE2 4.21Å; Y193-F195 HydrophobicContact CG-CZ 4.48Å; Y193-R223 CarbonylContact C-O 3.18Å; Y193-R223 WeakPolarHBondContact CA-O 3.4Å; Y193-R223 HydrophobicContact CD1-CB 3.97Å; Y193-R223 HydrophobicContact CE1-CB 4.08Å; Y193-R223 HydrophobicContact CE1-CG 4.48Å; Y193-I225 HydrophobicContact CD1-CD1 3.99Å; Y193-F242 HydrophobicContact CD1-CD2 4.38Å; Y193-F242 AromaticContact CD1-CE2 3.96Å; Y193-F242 HydrophobicContact CD1-CE2 3.96Å; Y193-F242 HydrophobicContact CD1-CZ 4.37Å; Y193-F242 AromaticContact CD2-CE2 3.74Å; Y193-F242 HydrophobicContact CD2-CE2 3.74Å; Y193-F242 HydrophobicContact CD2-CZ 4.39Å; Y193-F242 AromaticContact CE1-CD2 3.93Å; Y193-F242 HydrophobicContact CE1-CD2 3.93Å; Y193-F242 AromaticContact CE1-CE2 3.92Å; Y193-F242 HydrophobicContact CE1-CE2 3.92Å; Y193-F242 HydrophobicContact CE2-CD2 4.13Å; Y193-F242 AromaticContact CE2-CE2 3.7Å; Y193-F242 HydrophobicContact CE2-CE2 3.7Å; Y193-F242 AromaticContact CG-CE2 3.87Å; Y193-F242 HydrophobicContact CG-CE2 3.87Å; Y193-F242 HydrophobicContact CG-CZ 4.21Å; Y193-F242 AromaticContact CZ-CD2 3.79Å; Y193-F242 AromaticContact CZ-CE2 3.79Å; Y193-I244 HydrophobicContact CD2-CD1 3.8Å; Y193-I244 HydrophobicContact CE2-CD1 4Å
194H98.3Very high94.7Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-120.5115.4172.4-176.2-178.3000108.5L154 T156 P191 R223 F224 I225L154-H194 HydrophobicContact CB-CB 4.47Å; L154-H194 WeakPolarHBondContact O-CA 3.04Å; L154-H194 PolarHBondContact O-CD2 2.77Å; T156-H194 PolarHBondContact OG1-NE2 3.43Å; P191-H194 HydrophobicContact CG-CB 3.94Å; H194-R223 PolarHBondContact N-O 2.84Å; H194-F224 HydrophobicContact CB-CD2 3.94Å; H194-F224 AromaticContact CG-CD2 3.73Å; H194-F224 AromaticContact ND1-CD2 3.74Å; H194-F224 WeakPolarHBondContact O-CA 3.29Å; H194-F224 WeakPolarHBondContact O-CD2 3.34Å; H194-I225 PolarHBondContact O-N 3.39Å
195F98.3Very high94.8Very high0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-106135.6177.1-66.2-82.6000111.5V10 V41 I153 L154 L155 T156 Y193 I225 L227 Y240 F242V10-F195 HydrophobicContact CB-CD1 4.11Å; V10-F195 HydrophobicContact CB-CE1 4.15Å; V10-F195 HydrophobicContact CB-CG 4.37Å; V10-F195 HydrophobicContact CB-CZ 4.45Å; V10-F195 HydrophobicContact CG1-CB 3.93Å; V10-F195 HydrophobicContact CG1-CD1 3.77Å; V10-F195 HydrophobicContact CG1-CD2 4.23Å; V10-F195 HydrophobicContact CG1-CE1 4.32Å; V10-F195 HydrophobicContact CG1-CG 3.72Å; V10-F195 HydrophobicContact CG2-CD1 4.25Å; V10-F195 HydrophobicContact CG2-CD2 4.06Å; V10-F195 HydrophobicContact CG2-CE1 4.03Å; V10-F195 HydrophobicContact CG2-CE2 3.83Å; V10-F195 HydrophobicContact CG2-CG 4.27Å; V10-F195 HydrophobicContact CG2-CZ 3.81Å; V41-F195 HydrophobicContact CG1-CB 3.96Å; V41-F195 HydrophobicContact CG2-CB 4.26Å; I153-F195 HydrophobicContact CG2-CD2 3.7Å; I153-F195 HydrophobicContact CG2-CE2 4.03Å; L154-F195 PolarHBondContact O-N 2.84Å; L155-F195 HydrophobicContact CD2-CB 4.21Å; L155-F195 HydrophobicContact CD2-CD2 4.28Å; T156-F195 PolarHBondContact N-O 3.05Å; Y193-F195 HydrophobicContact CD1-CE2 4.21Å; Y193-F195 HydrophobicContact CD1-CZ 4.02Å; Y193-F195 HydrophobicContact CG-CE2 4.21Å; Y193-F195 HydrophobicContact CG-CZ 4.48Å; F195-I225 VanDerWaalsContact CA-O 3.29Å; F195-I225 WeakPolarHBondContact CA-O 3.4Å; F195-I225 HydrophobicContact CD1-CB 3.75Å; F195-I225 HydrophobicContact CD1-CD1 4.49Å; F195-I225 HydrophobicContact CD1-CG2 4.23Å; F195-I225 HydrophobicContact CE1-CB 3.71Å; F195-I225 HydrophobicContact CE1-CD1 3.89Å; F195-I225 HydrophobicContact CE1-CG1 4.1Å; F195-I225 HydrophobicContact CE1-CG2 4.14Å; F195-I225 HydrophobicContact CZ-CD1 4.18Å; F195-L227 HydrophobicContact CD1-CD1 4.44Å; F195-Y240 AromaticContact CE1-CD1 3.7Å; F195-Y240 HydrophobicContact CE1-CD1 3.7Å; F195-Y240 HydrophobicContact CE1-CE1 4.22Å; F195-Y240 HydrophobicContact CE1-CG 4.16Å; F195-Y240 AromaticContact CZ-CD1 3.84Å; F195-Y240 HydrophobicContact CZ-CD1 3.84Å; F195-Y240 HydrophobicContact CZ-CE1 4.11Å; F195-F242 AromaticContact CE2-CE1 3.79Å; F195-F242 HydrophobicContact CE2-CE1 3.79Å; F195-F242 AromaticContact CE2-CZ 3.79Å; F195-F242 HydrophobicContact CE2-CZ 3.79Å; F195-F242 HydrophobicContact CZ-CD1 4.19Å; F195-F242 AromaticContact CZ-CE1 3.62Å; F195-F242 HydrophobicContact CZ-CE1 3.62Å; F195-F242 AromaticContact CZ-CZ 3.93Å; F195-F242 HydrophobicContact CZ-CZ 3.93Å
196A97.2Very high94.7Very high0 Ų028.2 Ų28.20%014%0.141CC..EExtended strand (participates in β ladder)trans-140.8167.7175.800000114.2T156 W159 F224 I225 A226 L227T156-A196 WeakPolarHBondContact O-CA 3.49Å; T156-A196 WeakPolarHBondContact O-CB 3.14Å; W159-A196 HydrophobicContact CG-CB 4.29Å; A196-F224 HydrophobicContact CB-CE2 3.81Å; A196-F224 HydrophobicContact CB-CZ 3.84Å; A196-I225 PolarHBondContact N-O 2.78Å; A196-I225 VanDerWaalsContact N-O 3.16Å; A196-A226 VanDerWaalsContact O-CA 3.23Å; A196-A226 WeakPolarHBondContact O-CA 3.35Å; A196-L227 PolarHBondContact O-N 2.8Å
197A95.1Very high94.7Very high0 Ų028.8 Ų28.80%014%0.144CC..  trans-147.1-147-177.100000111.3V41 G42 S157 W159 E199V41-A197 HydrophobicContact CG2-CB 4.04Å; G42-A197 VanDerWaalsContact CA-CB 3.48Å; S157-A197 CarbonylContact O-C 3.43Å; S157-A197 PolarHBondContact O-N 3Å; S157-A197 VanDerWaalsContact O-N 3.11Å; W159-A197 PolarHBondContact NE1-O 2.8Å; A197-E199 PolarHBondContact O-N 2.92Å
198L92.3Very high94.8Very high30 Ų3026.4 Ų26.416%0.15713%0.132CC..SBendtrans68.4-18.7177.9-57.2-177.6000117.7D13 E43 A75 R118 S157 Q158 G200D13-L198 WeakPolarHBondContact OD1-CD2 3.25Å; D13-L198 PolarHBondContact OD1-N 2.78Å; D13-L198 WeakPolarHBondContact OD2-CA 3.44Å; D13-L198 PolarHBondContact OD2-N 2.84Å; E43-L198 HydrophobicContact CB-CD2 4.3Å; A75-L198 HydrophobicContact CB-CD1 3.98Å; A75-L198 HydrophobicContact CB-CD2 3.5Å; A75-L198 HydrophobicContact CB-CG 4.42Å; R118-L198 HydrophobicContact CG-CD1 4.18Å; S157-L198 WeakPolarHBondContact O-CG 3.26Å; Q158-L198 HydrophobicContact CG-CD1 3.89Å; L198-G200 VanDerWaalsContact C-N 3.34Å
199E90.1Very high94.8Very high71 Ų7123.5 Ų23.533%0.33212%0.118SC..SBendtrans-89.10.5178.5-61.1-68.9173.900113W159 V172 C177 A197 A201W159-E199 HydrophobicContact CD2-CG 3.92Å; W159-E199 HydrophobicContact CG-CG 3.87Å; W159-E199 HydrophobicContact CZ2-CB 3.91Å; W159-E199 HydrophobicContact CZ2-CG 4.19Å; V172-E199 HydrophobicContact CG1-CB 4.19Å; C177-E199 VanDerWaalsContact SG-CD 3.5Å; C177-E199 PolarHBondContact SG-OE1 3.4Å; A197-E199 PolarHBondContact O-N 2.92Å; E199-A201 PolarHBondContact O-N 3.06Å
200G89.1Confident94.8Very high33 Ų3323.6 Ų23.634%0.3412%0.118SC..SBendtrans63.314.1179.500000114.8L198L198-G200 VanDerWaalsContact C-N 3.34Å
201A90.9Very high94.5Very high6 Ų621.7 Ų21.75%0.0511%0.11CC..  trans-125.9148.8-174.300000111.9V172 E199 L227 A228V172-A201 HydrophobicContact CG1-CB 3.37Å; E199-A201 PolarHBondContact O-N 3.06Å; A201-L227 CarbonylContact O-C 3.57Å; A201-A228 PolarHBondContact O-N 3.37Å
202H94.8Very high94Very high37 Ų3723 Ų2317%0.17112%0.118CC..  trans-91.4130.6167.2175.6-96.7000109.2E204 A226 A228 K236 K237H202-E204 IonicContact CE1-OE2 3.71Å; H202-A226 WeakPolarHBondContact CA-O 3.19Å; H202-A226 PolarHBondContact CD2-O 2.94Å; H202-A226 VanDerWaalsContact CD2-O 3.28Å; H202-A228 HydrophobicContact CB-CB 4.41Å; H202-K236 HydrophobicContact CB-CB 4.11Å; H202-K237 HydrophobicContact CB-CB 4.37Å; H202-K237 WeakPolarHBondContact CB-O 3.39Å; H202-K237 PolarHBondContact CD2-O 2.79Å
203Y95.1Very high93.2Very high8 Ų824.7 Ų24.73%0.03113%0.131CC..EExtended strand (participates in β ladder)trans-146.7119.2173.9172.7-118.3000110W159 V163 N168 P170 R205 F224 I225 A226W159-Y203 HydrophobicContact CE3-CD1 4.41Å; W159-Y203 AromaticContact CH2-CD1 3.88Å; W159-Y203 HydrophobicContact CH2-CD1 3.88Å; W159-Y203 AromaticContact CH2-CG 3.97Å; W159-Y203 HydrophobicContact CH2-CG 3.97Å; W159-Y203 AromaticContact CZ3-CD1 3.54Å; W159-Y203 HydrophobicContact CZ3-CD1 3.54Å; W159-Y203 HydrophobicContact CZ3-CE1 4.37Å; W159-Y203 HydrophobicContact CZ3-CG 4.05Å; V163-Y203 HydrophobicContact CG1-CE1 4.16Å; N168-Y203 WeakPolarHBondContact ND2-CE2 3.27Å; N168-Y203 PolarHBondContact O-OH 2.94Å; P170-Y203 HydrophobicContact CB-CD1 4.08Å; P170-Y203 HydrophobicContact CB-CD2 3.55Å; P170-Y203 HydrophobicContact CB-CE1 4.34Å; P170-Y203 HydrophobicContact CB-CE2 3.81Å; P170-Y203 HydrophobicContact CB-CG 3.7Å; Y203-R205 HydrophobicContact CE1-CB 3.86Å; Y203-R205 HydrophobicContact CE1-CG 4.31Å; Y203-R205 WeakPolarHBondContact OH-CG 3.33Å; Y203-F224 AromaticContact CD1-CD1 3.99Å; Y203-F224 HydrophobicContact CD1-CD1 3.99Å; Y203-F224 AromaticContact CD1-CE1 3.86Å; Y203-F224 HydrophobicContact CD1-CE1 3.86Å; Y203-F224 HydrophobicContact CE1-CD1 4.09Å; Y203-F224 HydrophobicContact CE1-CE1 4.27Å; Y203-I225 WeakPolarHBondContact O-CA 3.49Å; Y203-A226 PolarHBondContact N-O 3.35Å; Y203-A226 PolarHBondContact O-N 2.99Å
204E95.3Very high92.1Very high79 Ų7931.9 Ų31.937%0.36917%0.17SC..EExtended strand (participates in β ladder)trans-109.7108176.5-174.8168.9-17700106.9N168 H202 I225N168-E204 PolarHBondContact ND2-O 3.41Å; H202-E204 IonicContact CE1-OE2 3.71Å; E204-I225 HydrophobicContact CG-CG1 4.32Å
205R94.3Very high91.1Very high7 Ų739.6 Ų39.63%0.02621%0.206CC..PPolyproline II helixtrans-79145.3-179.8-169.5-161.4-178.1-81.52.3109.1V163 Q165 N168 Y203 P207 Y208 F224 T263 E264V163-R205 WeakPolarHBondContact O-CD 3.26Å; V163-R205 PolarHBondContact O-NE 3.4Å; Q165-R205 PolarHBondContact O-NH2 3.27Å; N168-R205 WeakPolarHBondContact OD1-CA 3.48Å; Y203-R205 HydrophobicContact CE1-CB 3.86Å; Y203-R205 HydrophobicContact CE1-CG 4.31Å; Y203-R205 WeakPolarHBondContact OH-CG 3.33Å; R205-P207 PolarHBondContact NH1-O 3.29Å; R205-Y208 VanDerWaalsContact NH1-CB 3.34Å; R205-F224 HydrophobicContact CB-CB 4.06Å; R205-F224 HydrophobicContact CB-CD1 4.33Å; R205-F224 PolarHBondContact N-O 2.91Å; R205-T263 VanDerWaalsContact CZ-OG1 3.32Å; R205-T263 PolarHBondContact NH1-OG1 3.45Å; R205-T263 PolarHBondContact NH2-OG1 2.96Å; R205-E264 PolarHBondContact NH2-O 2.61Å
206L94.1Very high90.4Very high63 Ų6342.2 Ų42.233%0.3322%0.219SC..PPolyproline II helixtrans-48.6147.8159.7-64.3178.7000110.6N168 D261 T263N168-L206 PolarHBondContact OD1-N 3.33Å; L206-D261 HydrophobicContact CD2-CB 4.2Å; L206-D261 WeakPolarHBondContact CD2-OD2 3.19Å; L206-T263 HydrophobicContact CB-CG2 3.94Å; L206-T263 HydrophobicContact CD1-CG2 4.1Å
207P96Very high89.8Confident12 Ų1249.2 Ų49.28%0.07826%0.256CS..PPolyproline II helixtrans-61.3148.3177.2-2132.9000111.7R205 V221 S222 R223 P259 V262 T263R205-P207 PolarHBondContact NH1-O 3.29Å; P207-V221 HydrophobicContact CB-CB 4.35Å; P207-V221 HydrophobicContact CB-CG2 4.17Å; P207-S222 CarbonylContact C-O 3.53Å; P207-S222 VanDerWaalsContact CA-O 3.31Å; P207-S222 WeakPolarHBondContact CA-O 3.47Å; P207-R223 HydrophobicContact CB-CG 4.23Å; P207-R223 HydrophobicContact CG-CG 4.2Å; P207-P259 HydrophobicContact CB-CG 4.31Å; P207-P259 HydrophobicContact CG-CB 4.34Å; P207-P259 HydrophobicContact CG-CG 4.05Å; P207-V262 HydrophobicContact CB-CG2 4.24Å; P207-V262 WeakPolarHBondContact O-CA 3.27Å; P207-T263 PolarHBondContact O-N 3.03Å; P207-T263 PolarHBondContact O-OG1 2.7Å
208Y95.7Very high89.4Confident0 Ų051.5 Ų51.50%028%0.275CS..EExtended strand (participates in β ladder)trans-121152.8170.158.1-87.1000113.4R205 V221 S222 F224 T263 E264 P266 Y267R205-Y208 VanDerWaalsContact NH1-CB 3.34Å; Y208-V221 CarbonylContact O-C 3.4Å; Y208-V221 VanDerWaalsContact O-CA 3.27Å; Y208-V221 WeakPolarHBondContact O-CA 3.37Å; Y208-V221 WeakPolarHBondContact O-CB 3.48Å; Y208-S222 VanDerWaalsContact CE1-CB 3.5Å; Y208-S222 PolarHBondContact N-O 3.35Å; Y208-S222 PolarHBondContact O-N 2.94Å; Y208-S222 WeakPolarHBondContact OH-CB 3.44Å; Y208-F224 HydrophobicContact CE1-CB 4.48Å; Y208-T263 VanDerWaalsContact CA-O 3.32Å; Y208-T263 WeakPolarHBondContact CA-O 3.35Å; Y208-E264 WeakPolarHBondContact CB-O 3.43Å; Y208-P266 HydrophobicContact CD1-CG 4.16Å; Y208-P266 HydrophobicContact CE1-CG 4.28Å; Y208-P266 VanDerWaalsContact CG-CD 3.46Å; Y208-P266 HydrophobicContact CG-CG 4.35Å; Y208-Y267 HydrophobicContact CE1-CE2 4.48Å; Y208-Y267 HydrophobicContact CE2-CE2 4.2Å; Y208-Y267 AromaticContact CZ-CE2 3.79Å; Y208-Y267 WeakPolarHBondContact OH-CE2 3.29Å
209R94.1Very high89.3Confident49 Ų4952 Ų5219%0.18528%0.277CS..EExtended strand (participates in β ladder)trans-75.4137.2175.1-62-179.8179.798.16111.4H211 V213 V262 T263 E264 S265R209-H211 VanDerWaalsContact C-N 3.27Å; R209-H211 WeakPolarHBondContact CB-O 3.44Å; R209-V213 VanDerWaalsContact NE-CG2 3.34Å; R209-V262 HydrophobicContact CG-CG1 4.31Å; R209-V262 HydrophobicContact CG-CG2 3.67Å; R209-V262 VanDerWaalsContact CZ-CG1 3.41Å; R209-T263 PolarHBondContact N-O 3.38Å; R209-E264 IonicContact CZ-OE1 3.91Å; R209-E264 IonicContact NH1-OE1 2.73Å; R209-E264 PolarHBondContact NH1-OE1 3Å; R209-S265 WeakPolarHBondContact O-CB 3.42Å
210N93.5Very high89.5Confident3 Ų348.9 Ų48.92%0.01626%0.262CS..SBendtrans-90.510.1168.2-67.9-51.1000113.4K190 Q219 H220 S222K190-N210 HydrophobicContact CB-CB 4.05Å; K190-N210 HydrophobicContact CD-CB 4.06Å; K190-N210 HydrophobicContact CG-CB 3.97Å; N210-Q219 HydrophobicContact CB-CB 4.31Å; N210-Q219 PolarHBondContact O-OE1 3.2Å; N210-H220 WeakPolarHBondContact CB-O 3.29Å; N210-H220 PolarHBondContact ND2-O 3.41Å; N210-S222 PolarHBondContact ND2-OG 3.26Å; N210-S222 PolarHBondContact OD1-OG 2.87Å; N210-S222 VanDerWaalsContact OD1-OG 3.09Å
211H89.9Confident89.8Confident6 Ų647.5 Ų47.53%0.02825%0.247CC..SBendtrans-136.1157.3179.967.5-78000110.6R209 E216 N217 Q219 Q258 R268R209-H211 VanDerWaalsContact C-N 3.27Å; R209-H211 WeakPolarHBondContact CB-O 3.44Å; H211-E216 WeakPolarHBondContact CA-OE2 3.15Å; H211-E216 HydrophobicContact CB-CB 3.87Å; H211-N217 VanDerWaalsContact CB-O 3.22Å; H211-N217 WeakPolarHBondContact CB-O 3.33Å; H211-Q219 HydrophobicContact CB-CB 4.1Å; H211-Q219 HydrophobicContact CB-CG 4.26Å; H211-Q219 PolarHBondContact ND1-N 2.8Å; H211-Q219 VanDerWaalsContact ND1-N 3.12Å; H211-Q219 PolarHBondContact ND1-O 2.86Å; H211-Q258 PolarHBondContact CE1-NE2 3.49Å; H211-Q258 PolarHBondContact NE2-NE2 3.33Å; H211-Q258 VanDerWaalsContact NE2-NE2 3.16Å; H211-R268 PolarHBondContact O-NH1 3.13Å
212V86.6Confident90.1Very high27 Ų2747.2 Ų47.216%0.16425%0.245CC..  trans-89.1121.8174-177.40000108.8L214 Q215 E216V212-L214 PolarHBondContact O-N 3.4Å; V212-Q215 HydrophobicContact CB-CB 3.95Å; V212-Q215 HydrophobicContact CG1-CB 3.82Å; V212-Q215 HydrophobicContact CG1-CG 3.84Å; V212-Q215 PolarHBondContact O-N 3.46Å; V212-Q215 VanDerWaalsContact O-N 3.07Å; V212-E216 HydrophobicContact CB-CG 4.3Å; V212-E216 PolarHBondContact N-OE2 2.81Å; V212-E216 PolarHBondContact O-N 2.81Å
213V78.8Confident90.2Very high60 Ų6048.6 Ų48.636%0.36425%0.248SC..THydrogen-bonded Turntrans-57.3131.9179.5-177.10000109.4R209 Q215R209-V213 VanDerWaalsContact NE-CG2 3.34Å; V213-Q215 PolarHBondContact O-N 3.11Å; V213-Q215 VanDerWaalsContact O-N 3.16Å
214L74.7Confident90.3Very high178 Ų17848.2 Ų48.293%0.93225%0.247SC*.THydrogen-bonded Turntrans67.2-2.8-176.6-49.4171.6000116.5V212V212-L214 PolarHBondContact O-N 3.4Å
215Q77.9Confident90.4Very high162 Ų16244.7 Ų44.776%0.75723%0.23SC*.THydrogen-bonded Turntrans-117.6-32.7178.7-60.9179.92300113.3V212 V213V212-Q215 HydrophobicContact CB-CB 3.95Å; V212-Q215 HydrophobicContact CG1-CB 3.82Å; V212-Q215 HydrophobicContact CG1-CG 3.84Å; V212-Q215 PolarHBondContact O-N 3.46Å; V212-Q215 VanDerWaalsContact O-N 3.07Å; V213-Q215 PolarHBondContact O-N 3.11Å; V213-Q215 VanDerWaalsContact O-N 3.16Å
216E83.6Confident90.5Very high56 Ų5644.3 Ų44.326%0.26223%0.229SC..SBendtrans-120.8152178.9-67.8178.7-168.200110.1H211 V212 A218 R268H211-E216 WeakPolarHBondContact CA-OE2 3.15Å; H211-E216 HydrophobicContact CB-CB 3.87Å; V212-E216 HydrophobicContact CB-CG 4.3Å; V212-E216 PolarHBondContact N-OE2 2.81Å; V212-E216 PolarHBondContact O-N 2.81Å; E216-A218 PolarHBondContact O-N 2.86Å; E216-R268 IonicContact OE1-CZ 3.93Å; E216-R268 IonicContact OE1-NH2 3.32Å; E216-R268 PolarHBondContact OE1-NH2 2.98Å; E216-R268 IonicContact OE2-CZ 3.71Å; E216-R268 IonicContact OE2-NH2 2.73Å; E216-R268 PolarHBondContact OE2-NH2 2.86Å
217N84.4Confident90.7Very high146 Ų14641.3 Ų41.378%0.78121%0.213SC*.  trans-56.3140.7172.7-74.1-32.2000110.8H211 Q219H211-N217 VanDerWaalsContact CB-O 3.22Å; H211-N217 WeakPolarHBondContact CB-O 3.33Å; N217-Q219 PolarHBondContact O-N 2.99Å; N217-Q219 VanDerWaalsContact O-N 3.13Å; N217-Q219 PolarHBondContact O-NE2 2.77Å
218A85.8Confident90.7Very high49 Ų4940.8 Ų40.841%0.40521%0.21SC..  trans-54.6122.4176.200000109.5E216 V256E216-A218 PolarHBondContact O-N 2.86Å; A218-V256 HydrophobicContact CB-CB 4.22Å; A218-V256 WeakPolarHBondContact O-CG1 3.44Å
219Q90.4Very high90.7Very high40 Ų4041.6 Ų41.619%0.18722%0.215CC..  trans-115.3164.1175.7-74163.766.500108.8K190 N210 H211 N217K190-Q219 VanDerWaalsContact CD-OE1 3.3Å; N210-Q219 HydrophobicContact CB-CB 4.31Å; N210-Q219 PolarHBondContact O-OE1 3.2Å; H211-Q219 HydrophobicContact CB-CB 4.1Å; H211-Q219 HydrophobicContact CB-CG 4.26Å; H211-Q219 PolarHBondContact ND1-N 2.8Å; H211-Q219 VanDerWaalsContact ND1-N 3.12Å; H211-Q219 PolarHBondContact ND1-O 2.86Å; N217-Q219 PolarHBondContact O-N 2.99Å; N217-Q219 VanDerWaalsContact O-N 3.13Å; N217-Q219 PolarHBondContact O-NE2 2.77Å
220H93.8Very high90.7Very high6 Ų639.2 Ų39.23%0.02821%0.206CC..PPolyproline II helixtrans-57.6154.817361.9-74.7000111.3R149 K190 R192 N210 L255R149-H220 PolarHBondContact O-CE1 2.86Å; K190-H220 PolarHBondContact O-CE1 2.95Å; K190-H220 PolarHBondContact O-NE2 3.47Å; R192-H220 HydrophobicContact CG-CB 4.3Å; R192-H220 WeakPolarHBondContact CG-CD2 3.38Å; N210-H220 WeakPolarHBondContact CB-O 3.29Å; N210-H220 PolarHBondContact ND2-O 3.41Å; H220-L255 VanDerWaalsContact CA-O 3.26Å; H220-L255 WeakPolarHBondContact CA-O 3.49Å; H220-L255 HydrophobicContact CB-CD1 3.65Å; H220-L255 HydrophobicContact CB-CG 3.92Å; H220-L255 WeakPolarHBondContact CB-O 3.47Å
221V95.4Very high90.6Very high4 Ų443 Ų432%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-90151.3176.5-55.80000110.6P207 Y208 Q258 P259 V262P207-V221 HydrophobicContact CB-CB 4.35Å; P207-V221 HydrophobicContact CB-CG2 4.17Å; Y208-V221 CarbonylContact O-C 3.4Å; Y208-V221 VanDerWaalsContact O-CA 3.27Å; Y208-V221 WeakPolarHBondContact O-CA 3.37Å; Y208-V221 WeakPolarHBondContact O-CB 3.48Å; V221-Q258 HydrophobicContact CG1-CB 4.43Å; V221-Q258 HydrophobicContact CG1-CG 4.14Å; V221-P259 HydrophobicContact CG2-CG 4.29Å; V221-V262 HydrophobicContact CB-CG2 4.25Å; V221-V262 HydrophobicContact CG1-CG2 3.64Å
222S97.2Very high90.7Very high0 Ų043.5 Ų43.50%023%0.229CC..EExtended strand (participates in β ladder)trans-98138.5171.6-66.70000110.8P191 R192 P207 Y208 N210P191-S222 WeakPolarHBondContact O-CA 3.32Å; P191-S222 WeakPolarHBondContact O-CB 3.31Å; P191-S222 PolarHBondContact O-OG 3.31Å; R192-S222 WeakPolarHBondContact O-CA 3.38Å; P207-S222 CarbonylContact C-O 3.53Å; P207-S222 VanDerWaalsContact CA-O 3.31Å; P207-S222 WeakPolarHBondContact CA-O 3.47Å; Y208-S222 VanDerWaalsContact CE1-CB 3.5Å; Y208-S222 PolarHBondContact N-O 3.35Å; Y208-S222 PolarHBondContact O-N 2.94Å; Y208-S222 WeakPolarHBondContact OH-CB 3.44Å; N210-S222 PolarHBondContact ND2-OG 3.26Å; N210-S222 PolarHBondContact OD1-OG 2.87Å; N210-S222 VanDerWaalsContact OD1-OG 3.09Å
223R97.3Very high90.9Very high66 Ų6648.6 Ų48.625%0.24926%0.262CS..EExtended strand (participates in β ladder)trans-112.5119.8170-68.8172.3-175.472.32.1108.7R192 Y193 H194 P207 I225R192-R223 PolarHBondContact O-N 2.88Å; Y193-R223 CarbonylContact C-O 3.18Å; Y193-R223 WeakPolarHBondContact CA-O 3.4Å; Y193-R223 HydrophobicContact CD1-CB 3.97Å; Y193-R223 HydrophobicContact CE1-CB 4.08Å; Y193-R223 HydrophobicContact CE1-CG 4.48Å; H194-R223 PolarHBondContact N-O 2.84Å; P207-R223 HydrophobicContact CB-CG 4.23Å; P207-R223 HydrophobicContact CG-CG 4.2Å; R223-I225 HydrophobicContact CB-CD1 3.92Å
224F97.8Very high91.4Very high0 Ų048.8 Ų48.80%027%0.271CS..EExtended strand (participates in β ladder)trans-98.7125.4175.3179-96.8000110.1W159 P160 V163 H194 A196 Y203 R205 Y208 A226W159-F224 HydrophobicContact CB-CZ 4.44Å; W159-F224 HydrophobicContact CD2-CE1 4.2Å; W159-F224 AromaticContact CD2-CZ 3.97Å; W159-F224 HydrophobicContact CD2-CZ 3.97Å; W159-F224 HydrophobicContact CE3-CE1 4.02Å; W159-F224 HydrophobicContact CE3-CZ 4.18Å; W159-F224 HydrophobicContact CG-CZ 4.05Å; W159-F224 HydrophobicContact CZ3-CE1 4.36Å; P160-F224 HydrophobicContact CG-CD2 4.05Å; P160-F224 HydrophobicContact CG-CE2 3.65Å; P160-F224 HydrophobicContact CG-CZ 4.21Å; V163-F224 HydrophobicContact CB-CD1 4.49Å; V163-F224 HydrophobicContact CB-CE1 4.5Å; V163-F224 HydrophobicContact CG1-CD1 4.33Å; V163-F224 HydrophobicContact CG1-CE1 3.97Å; V163-F224 HydrophobicContact CG1-CZ 4.4Å; V163-F224 HydrophobicContact CG2-CB 3.94Å; V163-F224 HydrophobicContact CG2-CD1 3.42Å; V163-F224 VanDerWaalsContact CG2-CD1 3.42Å; V163-F224 HydrophobicContact CG2-CD2 3.95Å; V163-F224 HydrophobicContact CG2-CE1 3.83Å; V163-F224 HydrophobicContact CG2-CE2 4.34Å; V163-F224 HydrophobicContact CG2-CG 3.47Å; V163-F224 VanDerWaalsContact CG2-CG 3.47Å; V163-F224 HydrophobicContact CG2-CZ 4.27Å; H194-F224 HydrophobicContact CB-CD2 3.94Å; H194-F224 AromaticContact CG-CD2 3.73Å; H194-F224 AromaticContact ND1-CD2 3.74Å; H194-F224 WeakPolarHBondContact O-CA 3.29Å; H194-F224 WeakPolarHBondContact O-CD2 3.34Å; A196-F224 HydrophobicContact CB-CE2 3.81Å; A196-F224 HydrophobicContact CB-CZ 3.84Å; Y203-F224 AromaticContact CD1-CD1 3.99Å; Y203-F224 HydrophobicContact CD1-CD1 3.99Å; Y203-F224 AromaticContact CD1-CE1 3.86Å; Y203-F224 HydrophobicContact CD1-CE1 3.86Å; Y203-F224 HydrophobicContact CE1-CD1 4.09Å; Y203-F224 HydrophobicContact CE1-CE1 4.27Å; R205-F224 HydrophobicContact CB-CB 4.06Å; R205-F224 HydrophobicContact CB-CD1 4.33Å; R205-F224 PolarHBondContact N-O 2.91Å; Y208-F224 HydrophobicContact CE1-CB 4.48Å; F224-A226 HydrophobicContact CE1-CB 3.9Å; F224-A226 HydrophobicContact CZ-CB 4.09Å
225I97.8Very high92.2Very high4 Ų449.5 Ų49.52%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-131.1117.5177.1-56.587.4000108.3Y193 H194 F195 A196 Y203 E204 R223 L227 Y240Y193-I225 HydrophobicContact CD1-CD1 3.99Å; H194-I225 PolarHBondContact O-N 3.39Å; F195-I225 VanDerWaalsContact CA-O 3.29Å; F195-I225 WeakPolarHBondContact CA-O 3.4Å; F195-I225 HydrophobicContact CD1-CB 3.75Å; F195-I225 HydrophobicContact CD1-CD1 4.49Å; F195-I225 HydrophobicContact CD1-CG2 4.23Å; F195-I225 HydrophobicContact CE1-CB 3.71Å; F195-I225 HydrophobicContact CE1-CD1 3.89Å; F195-I225 HydrophobicContact CE1-CG1 4.1Å; F195-I225 HydrophobicContact CE1-CG2 4.14Å; F195-I225 HydrophobicContact CZ-CD1 4.18Å; A196-I225 PolarHBondContact N-O 2.78Å; A196-I225 VanDerWaalsContact N-O 3.16Å; Y203-I225 WeakPolarHBondContact O-CA 3.49Å; E204-I225 HydrophobicContact CG-CG1 4.32Å; R223-I225 HydrophobicContact CB-CD1 3.92Å; I225-L227 HydrophobicContact CG2-CD2 4.05Å; I225-L227 HydrophobicContact CG2-CG 4.33Å; I225-Y240 HydrophobicContact CG2-CD2 4.29Å
226A96.7Very high92.9Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-98.2138.416700000111.1W159 A196 H202 Y203 F224W159-A226 HydrophobicContact CD2-CB 4.05Å; W159-A226 HydrophobicContact CH2-CB 3.71Å; W159-A226 HydrophobicContact CZ2-CB 3.01Å; W159-A226 HydrophobicContact CZ3-CB 4.41Å; A196-A226 VanDerWaalsContact O-CA 3.23Å; A196-A226 WeakPolarHBondContact O-CA 3.35Å; H202-A226 WeakPolarHBondContact CA-O 3.19Å; H202-A226 PolarHBondContact CD2-O 2.94Å; H202-A226 VanDerWaalsContact CD2-O 3.28Å; Y203-A226 PolarHBondContact N-O 3.35Å; Y203-A226 PolarHBondContact O-N 2.99Å; F224-A226 HydrophobicContact CE1-CB 3.9Å; F224-A226 HydrophobicContact CZ-CB 4.09Å
227L96.8Very high93.4Very high0 Ų047.8 Ų47.80%026%0.255CS..  trans-112.8137.8-175.8-65.1169000110.9V10 F195 A196 A201 I225V10-L227 HydrophobicContact CB-CD1 3.98Å; V10-L227 HydrophobicContact CG1-CD1 3.73Å; V10-L227 VanDerWaalsContact O-CD1 3.31Å; V10-L227 WeakPolarHBondContact O-CD1 3.1Å; F195-L227 HydrophobicContact CD1-CD1 4.44Å; A196-L227 PolarHBondContact O-N 2.8Å; A201-L227 CarbonylContact O-C 3.57Å; I225-L227 HydrophobicContact CG2-CD2 4.05Å; I225-L227 HydrophobicContact CG2-CG 4.33Å
228A95.9Very high93.9Very high0 Ų042.6 Ų42.60%023%0.225CC..  trans-74.7174.5176.800000111.7A201 H202 K236 K237 Y238A201-A228 PolarHBondContact O-N 3.37Å; H202-A228 HydrophobicContact CB-CB 4.41Å; A228-K236 HydrophobicContact CB-CB 3.65Å; A228-K237 PolarHBondContact N-O 3.44Å; A228-K237 VanDerWaalsContact N-O 3.09Å; A228-Y238 WeakPolarHBondContact O-CA 3.4Å; A228-Y238 WeakPolarHBondContact O-CB 3.32Å
229T95.9Very high94.4Very high17 Ų1741.7 Ų41.710%0.10421%0.213CC..  trans-68.3141.5175.7-340000112D13 E15 N231 N232D13-T229 HydrophobicContact CB-CG2 3.75Å; D13-T229 CarbonylContact O-C 3.37Å; D13-T229 WeakPolarHBondContact O-CA 3.28Å; D13-T229 WeakPolarHBondContact O-CG2 3.26Å; E15-T229 VanDerWaalsContact CD-CG2 3.47Å; E15-T229 HydrophobicContact CG-CG2 4.02Å; E15-T229 WeakPolarHBondContact OE2-CG2 3.38Å; T229-N231 PolarHBondContact O-N 3.26Å; T229-N232 WeakPolarHBondContact O-CB 3.49Å; T229-N232 PolarHBondContact O-N 3.41Å; T229-N232 PolarHBondContact O-ND2 3.22Å
230V95.1Very high94.7Very high0 Ų042 Ų420%021%0.213CC..THydrogen-bonded Turntrans-54.9134.8176.5172.20000110C11 D13 V14 R17 N232 Y238C11-V230 VanDerWaalsContact SG-CG2 3.57Å; D13-V230 WeakPolarHBondContact O-CG2 2.97Å; D13-V230 PolarHBondContact O-N 3.32Å; V14-V230 HydrophobicContact CB-CG2 4.43Å; V14-V230 HydrophobicContact CG1-CG2 4.45Å; V14-V230 HydrophobicContact CG2-CG2 4.35Å; R17-V230 HydrophobicContact CB-CG1 4.08Å; R17-V230 PolarHBondContact NE-O 3.21Å; R17-V230 PolarHBondContact NH1-O 3.37Å; V230-N232 PolarHBondContact O-N 3.21Å; V230-N232 VanDerWaalsContact O-N 3.09Å; V230-Y238 HydrophobicContact CB-CD2 4.22Å; V230-Y238 HydrophobicContact CB-CE2 4.47Å; V230-Y238 HydrophobicContact CG1-CD2 4.44Å; V230-Y238 HydrophobicContact CG1-CE2 4.19Å; V230-Y238 HydrophobicContact CG2-CD2 3.7Å; V230-Y238 HydrophobicContact CG2-CE2 4.13Å; V230-Y238 HydrophobicContact CG2-CG 4.38Å
231N91.4Very high94.7Very high83 Ų8344.2 Ų44.244%0.44423%0.232SC..THydrogen-bonded Turntrans52.331.7-179.3-62.7-11.1000114.6S20 T229S20-N231 WeakPolarHBondContact CB-ND2 3.2Å; S20-N231 PolarHBondContact OG-ND2 2.68Å; T229-N231 PolarHBondContact O-N 3.26Å
232N91.4Very high94.7Very high15 Ų1544.7 Ų44.78%0.0823%0.234CC..  trans-58.4146.6174.567.289.2000111.3T229 V230 A234 K235 K236T229-N232 WeakPolarHBondContact O-CB 3.49Å; T229-N232 PolarHBondContact O-N 3.41Å; T229-N232 PolarHBondContact O-ND2 3.22Å; V230-N232 PolarHBondContact O-N 3.21Å; V230-N232 VanDerWaalsContact O-N 3.09Å; N232-A234 PolarHBondContact O-N 3.45Å; N232-A234 PolarHBondContact OD1-N 3.42Å; N232-K235 PolarHBondContact O-N 2.78Å; N232-K235 PolarHBondContact OD1-N 3.1Å; N232-K236 PolarHBondContact ND2-O 2.69Å; N232-K236 WeakPolarHBondContact OD1-CB 3.31Å; N232-K236 PolarHBondContact OD1-N 3.44Å
233P90.1Very high94.5Very high134 Ų13449 Ų4987%0.8726%0.257SS*.THydrogen-bonded Turntrans-63.6-29.2-174.924.5-34.6000113K235P233-K235 PolarHBondContact O-N 3.47Å
234A89.5Confident94.3Very high65 Ų6546 Ų4654%0.53725%0.246SC..THydrogen-bonded Turntrans-78.41.9178.600000113.6N232 K236N232-A234 PolarHBondContact O-N 3.45Å; N232-A234 PolarHBondContact OD1-N 3.42Å; A234-K236 HydrophobicContact CB-CD 4.32Å; A234-K236 HydrophobicContact CB-CG 3.88Å; A234-K236 PolarHBondContact O-N 2.75Å
235K91.2Very high94.1Very high193 Ų19347.9 Ų47.984%0.83926%0.257SS*.  trans51.927.6-178.2-58.9179.7-179.7175.60113.6N232 P233N232-K235 PolarHBondContact O-N 2.78Å; N232-K235 PolarHBondContact OD1-N 3.1Å; P233-K235 PolarHBondContact O-N 3.47Å
236K92.6Very high93.8Very high59 Ų5947.9 Ų47.926%0.25726%0.257SS..  trans-63.9149.4174.8-62.3-171.8-173.5-159.60109.6E171 H202 A228 N232 A234 Y238E171-K236 IonicContact OE2-NZ 3.78Å; E171-K236 PolarHBondContact OE2-NZ 3.02Å; H202-K236 HydrophobicContact CB-CB 4.11Å; A228-K236 HydrophobicContact CB-CB 3.65Å; N232-K236 PolarHBondContact ND2-O 2.69Å; N232-K236 WeakPolarHBondContact OD1-CB 3.31Å; N232-K236 PolarHBondContact OD1-N 3.44Å; A234-K236 HydrophobicContact CB-CD 4.32Å; A234-K236 HydrophobicContact CB-CG 3.88Å; A234-K236 PolarHBondContact O-N 2.75Å; K236-Y238 PolarHBondContact O-N 3.29Å
237K94Very high93.4Very high123 Ų12348.7 Ų48.754%0.53526%0.262SS..  trans-63.7121.9179.5-65.4178-176.7175.60110H202 A228H202-K237 HydrophobicContact CB-CB 4.37Å; H202-K237 WeakPolarHBondContact CB-O 3.39Å; H202-K237 PolarHBondContact CD2-O 2.79Å; A228-K237 PolarHBondContact N-O 3.44Å; A228-K237 VanDerWaalsContact N-O 3.09Å
238Y95.6Very high92.9Very high36 Ų3657.7 Ų57.714%0.14130%0.3CS..  trans-113.6-9.1177.563.2-95.1000112.9C11 G12 A228 V230 K236C11-Y238 WeakPolarHBondContact CA-O 3.47Å; G12-Y238 PolarHBondContact N-O 3.17Å; A228-Y238 WeakPolarHBondContact O-CA 3.4Å; A228-Y238 WeakPolarHBondContact O-CB 3.32Å; V230-Y238 HydrophobicContact CB-CD2 4.22Å; V230-Y238 HydrophobicContact CB-CE2 4.47Å; V230-Y238 HydrophobicContact CG1-CD2 4.44Å; V230-Y238 HydrophobicContact CG1-CE2 4.19Å; V230-Y238 HydrophobicContact CG2-CD2 3.7Å; V230-Y238 HydrophobicContact CG2-CE2 4.13Å; V230-Y238 HydrophobicContact CG2-CG 4.38Å; K236-Y238 PolarHBondContact O-N 3.29Å
239L95.8Very high92.4Very high30 Ų3059.6 Ų59.616%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-131.6131.1-177.9-165.374.5000109.4L9 V10 C11 L21 R24 I28 L38L9-L239 HydrophobicContact CD2-CD2 4.44Å; V10-L239 CarbonylContact O-C 3.52Å; V10-L239 WeakPolarHBondContact O-CA 3.46Å; V10-L239 WeakPolarHBondContact O-CD1 3.37Å; C11-L239 HydrophobicContact CB-CD1 3.82Å; L21-L239 HydrophobicContact CD1-CD1 4.03Å; R24-L239 HydrophobicContact CG-CD2 4.19Å; I28-L239 HydrophobicContact CD1-CD2 3.32Å; L38-L239 HydrophobicContact CD1-CD1 4.14Å
240Y96.8Very high91.9Very high47 Ų4760.9 Ų60.918%0.18432%0.319CS..EExtended strand (participates in β ladder)trans-123.4131.8-179.9-170.4-95.5000109.6L9 V10 F195 I225 F242L9-Y240 CarbonylContact C-O 3.44Å; L9-Y240 WeakPolarHBondContact CA-O 3.39Å; V10-Y240 PolarHBondContact N-O 2.83Å; V10-Y240 PolarHBondContact O-N 3.37Å; F195-Y240 AromaticContact CE1-CD1 3.7Å; F195-Y240 HydrophobicContact CE1-CD1 3.7Å; F195-Y240 HydrophobicContact CE1-CE1 4.22Å; F195-Y240 HydrophobicContact CE1-CG 4.16Å; F195-Y240 AromaticContact CZ-CD1 3.84Å; F195-Y240 HydrophobicContact CZ-CD1 3.84Å; F195-Y240 HydrophobicContact CZ-CE1 4.11Å; I225-Y240 HydrophobicContact CG2-CD2 4.29Å; Y240-F242 HydrophobicContact CD1-CB 4.21Å; Y240-F242 AromaticContact CD1-CD1 3.73Å; Y240-F242 HydrophobicContact CD1-CD1 3.73Å; Y240-F242 HydrophobicContact CD1-CE1 4.46Å; Y240-F242 HydrophobicContact CD1-CG 4.2Å; Y240-F242 HydrophobicContact CE1-CB 3.61Å; Y240-F242 AromaticContact CE1-CD1 3.76Å; Y240-F242 HydrophobicContact CE1-CD1 3.76Å; Y240-F242 AromaticContact CE1-CG 3.76Å; Y240-F242 HydrophobicContact CE1-CG 3.76Å
241A94.8Very high91.5Very high52 Ų5264.8 Ų64.843%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-119.8126.2-178.400000108.8L9 F35L9-A241 HydrophobicContact CD2-CB 3.57Å; F35-A241 HydrophobicContact CE1-CB 3.89Å; F35-A241 HydrophobicContact CZ-CB 3.91Å
242F94.9Very high91.1Very high15 Ų1564.1 Ų64.17%0.06634%0.34CS..EExtended strand (participates in β ladder)trans-153.6165.1178.376.2-65.1000112.1V8 V10 I153 Y193 F195 Y240 I244V8-F242 HydrophobicContact CB-CD1 4.19Å; V8-F242 HydrophobicContact CB-CE1 3.73Å; V8-F242 HydrophobicContact CB-CZ 4.23Å; V8-F242 HydrophobicContact CG1-CE1 3.85Å; V8-F242 HydrophobicContact CG1-CZ 4.44Å; V8-F242 PolarHBondContact N-O 3.07Å; V8-F242 PolarHBondContact O-N 2.72Å; V10-F242 HydrophobicContact CG2-CE1 3.86Å; I153-F242 HydrophobicContact CD1-CZ 3.8Å; Y193-F242 HydrophobicContact CD1-CD2 4.38Å; Y193-F242 AromaticContact CD1-CE2 3.96Å; Y193-F242 HydrophobicContact CD1-CE2 3.96Å; Y193-F242 HydrophobicContact CD1-CZ 4.37Å; Y193-F242 AromaticContact CD2-CE2 3.74Å; Y193-F242 HydrophobicContact CD2-CE2 3.74Å; Y193-F242 HydrophobicContact CD2-CZ 4.39Å; Y193-F242 AromaticContact CE1-CD2 3.93Å; Y193-F242 HydrophobicContact CE1-CD2 3.93Å; Y193-F242 AromaticContact CE1-CE2 3.92Å; Y193-F242 HydrophobicContact CE1-CE2 3.92Å; Y193-F242 HydrophobicContact CE2-CD2 4.13Å; Y193-F242 AromaticContact CE2-CE2 3.7Å; Y193-F242 HydrophobicContact CE2-CE2 3.7Å; Y193-F242 AromaticContact CG-CE2 3.87Å; Y193-F242 HydrophobicContact CG-CE2 3.87Å; Y193-F242 HydrophobicContact CG-CZ 4.21Å; Y193-F242 AromaticContact CZ-CD2 3.79Å; Y193-F242 AromaticContact CZ-CE2 3.79Å; F195-F242 AromaticContact CE2-CE1 3.79Å; F195-F242 HydrophobicContact CE2-CE1 3.79Å; F195-F242 AromaticContact CE2-CZ 3.79Å; F195-F242 HydrophobicContact CE2-CZ 3.79Å; F195-F242 HydrophobicContact CZ-CD1 4.19Å; F195-F242 AromaticContact CZ-CE1 3.62Å; F195-F242 HydrophobicContact CZ-CE1 3.62Å; F195-F242 AromaticContact CZ-CZ 3.93Å; F195-F242 HydrophobicContact CZ-CZ 3.93Å; Y240-F242 HydrophobicContact CD1-CB 4.21Å; Y240-F242 AromaticContact CD1-CD1 3.73Å; Y240-F242 HydrophobicContact CD1-CD1 3.73Å; Y240-F242 HydrophobicContact CD1-CE1 4.46Å; Y240-F242 HydrophobicContact CD1-CG 4.2Å; Y240-F242 HydrophobicContact CE1-CB 3.61Å; Y240-F242 AromaticContact CE1-CD1 3.76Å; Y240-F242 HydrophobicContact CE1-CD1 3.76Å; Y240-F242 AromaticContact CE1-CG 3.76Å; Y240-F242 HydrophobicContact CE1-CG 3.76Å; F242-I244 HydrophobicContact CD2-CB 4.27Å; F242-I244 HydrophobicContact CE2-CB 3.78Å; F242-I244 HydrophobicContact CE2-CD1 4.18Å; F242-I244 HydrophobicContact CE2-CG2 4.12Å; F242-I244 HydrophobicContact CZ-CG2 4.46Å
243N93.9Very high90.9Very high89 Ų8967.8 Ų67.848%0.47636%0.363SS..EExtended strand (participates in β ladder)trans-111.2139.2175.9-58.7-22000108.6P5 V6 R7P5-N243 HydrophobicContact CB-CB 4.27Å; V6-N243 CarbonylContact O-C 3.44Å; V6-N243 VanDerWaalsContact O-CA 3.31Å; V6-N243 WeakPolarHBondContact O-CA 3.27Å; R7-N243 WeakPolarHBondContact CG-OD1 3.49Å
244I93.1Very high90.7Very high3 Ų365.6 Ų65.62%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-136.6130.3179.4-173.9166.7000110.7V6 V8 L110 D152 I153 Y193 F242V6-I244 HydrophobicContact CB-CG2 4.25Å; V6-I244 PolarHBondContact N-O 2.89Å; V6-I244 PolarHBondContact O-N 2.81Å; V8-I244 HydrophobicContact CG2-CG2 3.98Å; L110-I244 HydrophobicContact CD1-CD1 4.18Å; L110-I244 HydrophobicContact CD1-CG1 4.36Å; L110-I244 HydrophobicContact CD1-CG2 3.76Å; L110-I244 HydrophobicContact CD2-CG2 4.44Å; D152-I244 HydrophobicContact CB-CD1 4Å; I153-I244 HydrophobicContact CD1-CD1 4.49Å; I153-I244 HydrophobicContact CG1-CD1 4.14Å; Y193-I244 HydrophobicContact CD2-CD1 3.8Å; Y193-I244 HydrophobicContact CE2-CD1 4Å; F242-I244 HydrophobicContact CD2-CB 4.27Å; F242-I244 HydrophobicContact CE2-CB 3.78Å; F242-I244 HydrophobicContact CE2-CD1 4.18Å; F242-I244 HydrophobicContact CE2-CG2 4.12Å; F242-I244 HydrophobicContact CZ-CG2 4.46Å
245V92.4Very high90.6Very high41 Ų4163.1 Ų63.125%0.24832%0.319CS..  trans-89.9123.2166.2-179.40000107.2P5 R192 M250P5-V245 HydrophobicContact CB-CG2 3.97Å; R192-V245 PolarHBondContact NH1-O 2.87Å; V245-M250 HydrophobicContact CG1-CB 4.21Å
246P91.8Very high90.6Very high3 Ų356.3 Ų56.32%0.01929%0.293CS..  trans-53142.9179.2-28.736.1000113.2V6 L110 D152 K248 S249 M250V6-P246 HydrophobicContact CG2-CG 4.24Å; L110-P246 HydrophobicContact CB-CG 4.06Å; L110-P246 HydrophobicContact CD1-CG 4.26Å; D152-P246 WeakPolarHBondContact OD1-CA 3.39Å; P246-K248 PolarHBondContact O-N 3.37Å; P246-K248 VanDerWaalsContact O-N 3.09Å; P246-S249 PolarHBondContact O-N 3Å; P246-S249 PolarHBondContact O-OG 2.94Å; P246-S249 VanDerWaalsContact O-OG 3.06Å; P246-M250 WeakPolarHBondContact O-CB 3.45Å; P246-M250 PolarHBondContact O-N 2.75Å
247M89.1Confident90.4Very high18 Ų1859.2 Ų59.29%0.08931%0.306CS..THydrogen-bonded Turntrans-57.6-28179.7-79.517682.200113R149 V151 D152 R192 S249 L255R149-M247 HydrophobicContact CB-CE 4.19Å; V151-M247 VanDerWaalsContact C-SD 3.57Å; D152-M247 VanDerWaalsContact OD1-CG 3.24Å; D152-M247 WeakPolarHBondContact OD1-CG 3.17Å; D152-M247 PolarHBondContact OD1-N 3.2Å; R192-M247 HydrophobicContact CG-CG 4.16Å; R192-M247 HydrophobicContact CG-SD 3.8Å; M247-S249 VanDerWaalsContact C-N 3.34Å; M247-L255 HydrophobicContact CE-CD1 4.29Å; M247-L255 HydrophobicContact CE-CD2 4.02Å; M247-L255 HydrophobicContact CG-CD1 4.01Å; M247-L255 HydrophobicContact CG-CD2 4.48Å
248K86.1Confident90.1Very high188 Ų18856.8 Ų56.882%0.81730%0.297SS*.THydrogen-bonded Turntrans-70.4-30.6179-168.5-179.7176.7-175.20112.7P246P246-K248 PolarHBondContact O-N 3.37Å; P246-K248 VanDerWaalsContact O-N 3.09Å
249S85Confident89.8Confident40 Ų4056.7 Ų56.728%0.2830%0.3SS..THydrogen-bonded Turntrans-102.4-16.218050.30000113.4D3 P246 M247D3-S249 WeakPolarHBondContact OD2-CB 3.27Å; P246-S249 PolarHBondContact O-N 3Å; P246-S249 PolarHBondContact O-OG 2.94Å; P246-S249 VanDerWaalsContact O-OG 3.06Å; M247-S249 VanDerWaalsContact C-N 3.34Å
250M85.3Confident89.3Confident45 Ų4565.3 Ų65.322%0.22234%0.34CS..SBendtrans-71.4139.8178.7-165.1170.1-159.900112.4R192 V245 P246 E254 L255R192-M250 VanDerWaalsContact CZ-SD 3.59Å; R192-M250 PolarHBondContact NH2-SD 3.01Å; V245-M250 HydrophobicContact CG1-CB 4.21Å; P246-M250 WeakPolarHBondContact O-CB 3.45Å; P246-M250 PolarHBondContact O-N 2.75Å; M250-E254 HydrophobicContact CE-CB 3.95Å; M250-E254 HydrophobicContact CG-CB 4.47Å; M250-L255 HydrophobicContact CG-CB 4.35Å; M250-L255 HydrophobicContact SD-CB 4.18Å; M250-L255 HydrophobicContact SD-CD1 3.92Å
251D86.1Confident88.9Confident82 Ų8267 Ų6744%0.43935%0.352SS..  trans-60.7132.8172.7-177.7-90.2000111T253 E254 L255D251-T253 PolarHBondContact O-N 2.82Å; D251-T253 WeakPolarHBondContact OD1-CA 3.34Å; D251-T253 VanDerWaalsContact OD1-CB 3.28Å; D251-T253 WeakPolarHBondContact OD1-CB 3.39Å; D251-T253 PolarHBondContact OD1-N 3.06Å; D251-T253 PolarHBondContact OD1-OG1 3.02Å; D251-E254 HydrophobicContact CB-CB 4.33Å; D251-E254 HydrophobicContact CB-CG 4.17Å; D251-E254 PolarHBondContact O-N 3.09Å; D251-E254 PolarHBondContact OD1-N 3.42Å; D251-L255 WeakPolarHBondContact O-CB 3.26Å; D251-L255 PolarHBondContact O-N 3.35Å
252P84.8Confident88.8Confident68 Ų6865.2 Ų65.244%0.44234%0.336SS..Hα-helixtrans-58.1-31.7-178.4-26.635.2000114.6V256P252-V256 WeakPolarHBondContact O-CG1 3.45Å; P252-V256 PolarHBondContact O-N 2.76Å
253T85.6Confident88.7Confident92 Ų9265.2 Ų65.256%0.56434%0.337SS*.Hα-helixtrans-74.2-39.4179.970.10000111.5D251 L255 V256D251-T253 PolarHBondContact O-N 2.82Å; D251-T253 WeakPolarHBondContact OD1-CA 3.34Å; D251-T253 VanDerWaalsContact OD1-CB 3.28Å; D251-T253 WeakPolarHBondContact OD1-CB 3.39Å; D251-T253 PolarHBondContact OD1-N 3.06Å; D251-T253 PolarHBondContact OD1-OG1 3.02Å; T253-L255 VanDerWaalsContact C-N 3.32Å; T253-V256 WeakPolarHBondContact O-CG2 3.43Å
254E86.9Confident88.6Confident89 Ų8964.1 Ų64.142%0.41633%0.329SS..Hα-helixtrans-65.9-36.4172.8-67.2-60.8140.800111.7M250 D251 V256 K257M250-E254 HydrophobicContact CE-CB 3.95Å; M250-E254 HydrophobicContact CG-CB 4.47Å; D251-E254 HydrophobicContact CB-CB 4.33Å; D251-E254 HydrophobicContact CB-CG 4.17Å; D251-E254 PolarHBondContact O-N 3.09Å; D251-E254 PolarHBondContact OD1-N 3.42Å; E254-V256 VanDerWaalsContact C-N 3.32Å; E254-V256 PolarHBondContact O-N 3.38Å; E254-K257 VanDerWaalsContact CD-CE 3.5Å; E254-K257 WeakPolarHBondContact O-CB 3.31Å; E254-K257 PolarHBondContact O-N 3.06Å; E254-K257 VanDerWaalsContact OE1-CE 3.25Å; E254-K257 WeakPolarHBondContact OE1-CE 3.49Å; E254-K257 IonicContact OE1-NZ 2.98Å; E254-K257 PolarHBondContact OE1-NZ 3.09Å; E254-K257 WeakPolarHBondContact OE2-CD 3.24Å; E254-K257 VanDerWaalsContact OE2-CE 3.27Å; E254-K257 WeakPolarHBondContact OE2-CE 3.21Å; E254-K257 IonicContact OE2-NZ 2.74Å; E254-K257 PolarHBondContact OE2-NZ 2.77Å
255L87.3Confident88.7Confident13 Ų1364.1 Ų64.17%0.06833%0.329CS..Hα-helixtrans-64.3-35.6-178.8-179.760.6000112.7R192 H220 M247 M250 D251 T253R192-L255 HydrophobicContact CG-CD1 4.44Å; H220-L255 VanDerWaalsContact CA-O 3.26Å; H220-L255 WeakPolarHBondContact CA-O 3.49Å; H220-L255 HydrophobicContact CB-CD1 3.65Å; H220-L255 HydrophobicContact CB-CG 3.92Å; H220-L255 WeakPolarHBondContact CB-O 3.47Å; M247-L255 HydrophobicContact CE-CD1 4.29Å; M247-L255 HydrophobicContact CE-CD2 4.02Å; M247-L255 HydrophobicContact CG-CD1 4.01Å; M247-L255 HydrophobicContact CG-CD2 4.48Å; M250-L255 HydrophobicContact CG-CB 4.35Å; M250-L255 HydrophobicContact SD-CB 4.18Å; M250-L255 HydrophobicContact SD-CD1 3.92Å; D251-L255 WeakPolarHBondContact O-CB 3.26Å; D251-L255 PolarHBondContact O-N 3.35Å; T253-L255 VanDerWaalsContact C-N 3.32Å
256V91Very high88.7Confident49 Ų4962.2 Ų62.230%0.29732%0.318SS..THydrogen-bonded Turntrans-89.3-2-178.6-58.30000113.7A218 P252 T253 E254 Q258A218-V256 HydrophobicContact CB-CB 4.22Å; A218-V256 WeakPolarHBondContact O-CG1 3.44Å; P252-V256 WeakPolarHBondContact O-CG1 3.45Å; P252-V256 PolarHBondContact O-N 2.76Å; T253-V256 WeakPolarHBondContact O-CG2 3.43Å; E254-V256 VanDerWaalsContact C-N 3.32Å; E254-V256 PolarHBondContact O-N 3.38Å; V256-Q258 WeakPolarHBondContact O-CG 3.33Å; V256-Q258 PolarHBondContact O-N 3.12Å
257K88.1Confident88.7Confident121 Ų12163.4 Ų63.453%0.52632%0.322SS..  trans-60132.1176.3-76.3-174.7-176.8172.20110.9E254E254-K257 VanDerWaalsContact CD-CE 3.5Å; E254-K257 WeakPolarHBondContact O-CB 3.31Å; E254-K257 PolarHBondContact O-N 3.06Å; E254-K257 VanDerWaalsContact OE1-CE 3.25Å; E254-K257 WeakPolarHBondContact OE1-CE 3.49Å; E254-K257 IonicContact OE1-NZ 2.98Å; E254-K257 PolarHBondContact OE1-NZ 3.09Å; E254-K257 WeakPolarHBondContact OE2-CD 3.24Å; E254-K257 VanDerWaalsContact OE2-CE 3.27Å; E254-K257 WeakPolarHBondContact OE2-CE 3.21Å; E254-K257 IonicContact OE2-NZ 2.74Å; E254-K257 PolarHBondContact OE2-NZ 2.77Å
258Q87.4Confident88.1Confident71 Ų7165.5 Ų65.533%0.33233%0.329SS..  trans-107.3131-176.8-57.3-169.540.600110.4H211 V221 V256 V262H211-Q258 PolarHBondContact CE1-NE2 3.49Å; H211-Q258 PolarHBondContact NE2-NE2 3.33Å; H211-Q258 VanDerWaalsContact NE2-NE2 3.16Å; V221-Q258 HydrophobicContact CG1-CB 4.43Å; V221-Q258 HydrophobicContact CG1-CG 4.14Å; V256-Q258 WeakPolarHBondContact O-CG 3.33Å; V256-Q258 PolarHBondContact O-N 3.12Å; Q258-V262 HydrophobicContact CB-CG1 4.17Å
259P90Very high86.9Confident34 Ų3466.9 Ų66.922%0.22133%0.329CS..  trans-59.9155.8166.8-24.136.5000111.8P207 V221 D261 V262P207-P259 HydrophobicContact CB-CG 4.31Å; P207-P259 HydrophobicContact CG-CB 4.34Å; P207-P259 HydrophobicContact CG-CG 4.05Å; V221-P259 HydrophobicContact CG2-CG 4.29Å; P259-D261 WeakPolarHBondContact CB-OD1 3.46Å; P259-D261 PolarHBondContact O-N 3.24Å; P259-V262 WeakPolarHBondContact O-CB 3.41Å; P259-V262 VanDerWaalsContact O-CG1 3.28Å; P259-V262 WeakPolarHBondContact O-CG1 3.44Å; P259-V262 PolarHBondContact O-N 2.87Å
260Q84.6Confident84.9Confident211 Ų21169.2 Ų69.299%0.98635%0.346SS*.THydrogen-bonded Turntrans-66.6-28.2-179.9-68.6-178.7-11.300112.9
261D89.3Confident83Confident82 Ų8271.5 Ų71.544%0.43937%0.372SS..THydrogen-bonded Turntrans-95.314.2-176.562.4-28.8000113.3L206 P259L206-D261 HydrophobicContact CD2-CB 4.2Å; L206-D261 WeakPolarHBondContact CD2-OD2 3.19Å; P259-D261 WeakPolarHBondContact CB-OD1 3.46Å; P259-D261 PolarHBondContact O-N 3.24Å
262V92.8Very high80.4Confident15 Ų1575 Ų759%0.09139%0.39CS..  trans-69.5135.9-178.873.60000111.5P207 R209 V221 Q258 P259P207-V262 HydrophobicContact CB-CG2 4.24Å; P207-V262 WeakPolarHBondContact O-CA 3.27Å; R209-V262 HydrophobicContact CG-CG1 4.31Å; R209-V262 HydrophobicContact CG-CG2 3.67Å; R209-V262 VanDerWaalsContact CZ-CG1 3.41Å; V221-V262 HydrophobicContact CB-CG2 4.25Å; V221-V262 HydrophobicContact CG1-CG2 3.64Å; Q258-V262 HydrophobicContact CB-CG1 4.17Å; P259-V262 WeakPolarHBondContact O-CB 3.41Å; P259-V262 VanDerWaalsContact O-CG1 3.28Å; P259-V262 WeakPolarHBondContact O-CG1 3.44Å; P259-V262 PolarHBondContact O-N 2.87Å
263T93.4Very high78.1Confident16 Ų1678.3 Ų78.310%0.09840%0.404CS..BIsolated β-bridgetrans-104.8173179.877.50000111.3Y166 R205 L206 P207 Y208 R209Y166-T263 WeakPolarHBondContact O-CB 3.42Å; Y166-T263 WeakPolarHBondContact O-CG2 3.39Å; R205-T263 VanDerWaalsContact CZ-OG1 3.32Å; R205-T263 PolarHBondContact NH1-OG1 3.45Å; R205-T263 PolarHBondContact NH2-OG1 2.96Å; L206-T263 HydrophobicContact CB-CG2 3.94Å; L206-T263 HydrophobicContact CD1-CG2 4.1Å; P207-T263 PolarHBondContact O-N 3.03Å; P207-T263 PolarHBondContact O-OG1 2.7Å; Y208-T263 VanDerWaalsContact CA-O 3.32Å; Y208-T263 WeakPolarHBondContact CA-O 3.35Å; R209-T263 PolarHBondContact N-O 3.38Å
264E91.8Very high75.8Confident66 Ų6683.1 Ų83.131%0.30842%0.417SS..  trans-66.9160.8164.7-65.8-53.111900111.8Y166 R205 Y208 R209Y166-E264 HydrophobicContact CD2-CB 4.28Å; R205-E264 PolarHBondContact NH2-O 2.61Å; Y208-E264 WeakPolarHBondContact CB-O 3.43Å; R209-E264 IonicContact CZ-OE1 3.91Å; R209-E264 IonicContact NH1-OE1 2.73Å; R209-E264 PolarHBondContact NH1-OE1 3Å
265S93.4Very high73.3Confident2 Ų284.6 Ų84.61%0.01443%0.433CS..  trans-60.4128.3176.5175.40000110.5Y166 R209 Y267Y166-S265 WeakPolarHBondContact CE2-O 3.32Å; R209-S265 WeakPolarHBondContact O-CB 3.42Å; S265-Y267 PolarHBondContact O-N 2.85Å; S265-Y267 PolarHBondContact OG-N 2.79Å
266P92.6Very high70.5Confident2 Ų292.7 Ų92.71%0.01347%0.47CS..THydrogen-bonded Turntrans-70.3-8.2177.129.2-33.9000113.4G162 Q165 Y208G162-P266 WeakPolarHBondContact O-CB 3.5Å; Q165-P266 HydrophobicContact CB-CB 3.95Å; Q165-P266 PolarHBondContact OE1-O 3.38Å; Y208-P266 HydrophobicContact CD1-CG 4.16Å; Y208-P266 HydrophobicContact CE1-CG 4.28Å; Y208-P266 VanDerWaalsContact CG-CD 3.46Å; Y208-P266 HydrophobicContact CG-CG 4.35Å
267Y92.4Very high67.9Low27 Ų2796.7 Ų96.711%0.10650%0.495CS..THydrogen-bonded Turntrans-106.1-16.9-173.4-46.6-48.5000113.4P160 V163 A183 A186 D187 Y208 S265 R269P160-Y267 HydrophobicContact CB-CE1 3.67Å; P160-Y267 VanDerWaalsContact CB-OH 3.3Å; P160-Y267 WeakPolarHBondContact CB-OH 3.37Å; P160-Y267 HydrophobicContact CG-CE1 4.25Å; P160-Y267 WeakPolarHBondContact CG-OH 3.48Å; V163-Y267 HydrophobicContact CB-CE1 4.27Å; V163-Y267 WeakPolarHBondContact CG2-OH 3.48Å; A183-Y267 HydrophobicContact CB-CD1 3.61Å; A183-Y267 HydrophobicContact CB-CE1 3.95Å; A183-Y267 HydrophobicContact CB-CG 4.23Å; A186-Y267 HydrophobicContact CB-CD2 4.13Å; A186-Y267 HydrophobicContact CB-CE2 3.52Å; D187-Y267 HydrophobicContact CB-CD2 4.18Å; D187-Y267 HydrophobicContact CB-CG 4.49Å; Y208-Y267 HydrophobicContact CE1-CE2 4.48Å; Y208-Y267 HydrophobicContact CE2-CE2 4.2Å; Y208-Y267 AromaticContact CZ-CE2 3.79Å; Y208-Y267 WeakPolarHBondContact OH-CE2 3.29Å; S265-Y267 PolarHBondContact O-N 2.85Å; S265-Y267 PolarHBondContact OG-N 2.79Å; Y267-R269 PolarHBondContact O-N 3.46Å
268R77.2Confident65.2Low63 Ų63100.1 Ų100.124%0.23851%0.513CS..PPolyproline II helixtrans-75.9117175.9-88.4-172.1-175.1126.6-4.4110.4H211 E216H211-R268 PolarHBondContact O-NH1 3.13Å; E216-R268 IonicContact OE1-CZ 3.93Å; E216-R268 IonicContact OE1-NH2 3.32Å; E216-R268 PolarHBondContact OE1-NH2 2.98Å; E216-R268 IonicContact OE2-CZ 3.71Å; E216-R268 IonicContact OE2-NH2 2.73Å; E216-R268 PolarHBondContact OE2-NH2 2.86Å
269R60.2Low62.6Low217 Ų217105.9 Ų105.982%0.81954%0.537SS*.PPolyproline II helixtrans-90.7135.2171.7-64.7-175.4-178.4-175.8-0.3110.6Y267Y267-R269 PolarHBondContact O-N 3.46Å
270S43.1Very low59.9Low89 Ų89109.4 Ų109.462%0.62256%0.56SS**PPolyproline II helixtrans-67.8142.7170-67.10000111N272 D273S270-N272 PolarHBondContact O-N 3.21Å; S270-D273 PolarHBondContact O-N 3.02Å
271A44.8Very low57.7Low93 Ų93105.3 Ų105.377%0.76955%0.551SS**THydrogen-bonded Turntrans-61.9-6.6-179.700000115.4
272N32.2Very low55.1Low154 Ų154109.2 Ų109.282%0.82457%0.565SS**THydrogen-bonded Turntrans-90.7-4.6-176.4-79.1-4.4000115.1S270 K274S270-N272 PolarHBondContact O-N 3.21Å; N272-K274 PolarHBondContact O-N 3.37Å
273D35.8Very low52.1Low138 Ų138113 Ų11374%0.73859%0.591SS**  trans-101.451.4-173.2-146.716.8000112.3S270S270-D273 PolarHBondContact O-N 3.02Å
274K37.6Very low49.2Very low194 Ų194117.1 Ų117.184%0.84362%0.617SS**  trans-100.114.9179.8-82.2-168.3177.7-176.50114.2N272N272-K274 PolarHBondContact O-N 3.37Å
275T34.1Very low46.3Very low120 Ų120119.6 Ų119.674%0.73664%0.637SS**  trans-12078.217546.60000110.1
276E29.9Very low43.3Very low182 Ų182128.4 Ų128.485%0.8568%0.678SS**SBendtrans174.2105.4138.7-96.6174.3-174.200109.7
277T34.8Very low40.3Very low134 Ų134137.7 Ų137.782%0.82272%0.721SS**  trans26.1101.5151.829.70000119.5
278Q32.2Very low37.2Very low193 Ų193145.5 Ų145.590%0.90276%0.758SS**  -169.4140.7117.3-98.6172.92700109.9
279K32.1Very low34.7Very low191 Ų191151 Ų15183%0.8379%0.787SS**  trans-45.1147.4-178.2-71.1174.2173.6-179.50112.8P281K279-P281 WeakPolarHBondContact O-CD 3.4Å
280P34.4Very low33.3Very low108 Ų108146.2 Ų146.270%0.70178%0.784SS**  trans-65.6124.817228.4-31.1000109F282P280-F282 PolarHBondContact O-N 3.31Å
281P37.9Very low32.5Very low125 Ų125148.4 Ų148.481%0.81279%0.793SS**SBendtrans-78120.8162.130.3-24.2000106.5K279K279-P281 WeakPolarHBondContact O-CD 3.4Å
282F35.3Very low31.8Very low165 Ų165151.8 Ų151.872%0.72479%0.793SS**  trans93.977.9176.8-146.2-104.9000115.7P280 T284P280-F282 PolarHBondContact O-N 3.31Å; F282-T284 HydrophobicContact CD1-CG2 4.14Å; F282-T284 HydrophobicContact CE1-CG2 3.43Å; F282-T284 VanDerWaalsContact CE1-CG2 3.43Å; F282-T284 HydrophobicContact CZ-CG2 3.7Å
283S29.1Very low31.6Very low93 Ų93152.9 Ų152.965%0.6579%0.793SS**  trans-96.9117.6154.7176.70000107.9
284T33.5Very low31.1Very low104 Ų104155.5 Ų155.564%0.63880%0.798SS**  trans-88.197.3163.744.70000108F282F282-T284 HydrophobicContact CD1-CG2 4.14Å; F282-T284 HydrophobicContact CE1-CG2 3.43Å; F282-T284 VanDerWaalsContact CE1-CG2 3.43Å; F282-T284 HydrophobicContact CZ-CG2 3.7Å
285T30Very low30.5Very low117 Ų117155.5 Ų155.572%0.71880%0.798SS**  trans-171.1117.9156.223.80000106.6
286E29.6Very low30Very low188 Ų188158.5 Ų158.588%0.87980%0.801SS**  trans-55.7149.5159.6-69.2172.5163.200109E288E286-E288 PolarHBondContact O-N 2.84Å
287E30.2Very low29.8Very low197 Ų197156.5 Ų156.592%0.92180%0.797SS**  trans-59.3119.5-178.5-63.1171.1156.900110.7
288E27.6Very low29.3Very low191 Ų191157.4 Ų157.489%0.89380%0.796SS**  trans-123.8124.6151.1-78.1-169165.500108.2E286E286-E288 PolarHBondContact O-N 2.84Å
289E25.6Very low29.2Very low178 Ų178152.9 Ų152.983%0.83279%0.786SS**  trans-56.3153.8-179.5-75.4-157.9147.700113.1V291E289-V291 PolarHBondContact O-N 3.09Å; E289-V291 VanDerWaalsContact O-N 3.17Å
290P29.3Very low28.9Very low117 Ų117155.5 Ų155.576%0.7679%0.79SS**  trans-73.1114.1-178.330.5-31.5000110.4H292P290-H292 PolarHBondContact O-N 2.89Å
291V26.6Very low28.7Very low134 Ų134159.3 Ų159.381%0.81280%0.796SS**  trans-70110.6166.5-168.10000108.4E289 Q293E289-V291 PolarHBondContact O-N 3.09Å; E289-V291 VanDerWaalsContact O-N 3.17Å; V291-Q293 PolarHBondContact O-N 2.52Å
292H31Very low28.2Very low165 Ų165162.3 Ų162.376%0.76480%0.799SS**  trans-48.3119.2170.2-78.2-87.4000111.8P290P290-H292 PolarHBondContact O-N 2.89Å
293Q27.8Very low27.7Very low177 Ų177158.3 Ų158.383%0.82780%0.804SS**  trans-108.9104.5161.3-74.9-173.4-6.300109.6V291 F295V291-Q293 PolarHBondContact O-N 2.52Å; Q293-F295 PolarHBondContact O-N 2.85Å
294F25.2Very low27.6Very low192 Ų192157.9 Ų157.984%0.84282%0.815SS**  trans-63.7120.1161-80.9-101.5000108.8
295F24.1Very low27.2Very low195 Ų195157.7 Ų157.786%0.85582%0.823SS**  trans-109.2119.5159.1-120.9-96.7000108.7Q293 D297Q293-F295 PolarHBondContact O-N 2.85Å; F295-D297 PolarHBondContact O-N 3.39Å
296F24Very low28.2Very low182 Ų182157.5 Ų157.580%0.79882%0.824SS**  trans-62.7113.2170.5-117-103000108.6L298F296-L298 HydrophobicContact CD1-CD1 4.29Å; F296-L298 HydrophobicContact CD1-CG 4.26Å
297D25.8Very low28.2Very low141 Ų141160.4 Ų160.475%0.75483%0.827SS**  trans-109.1101.9166.9-167.5-7.8000109.1F295 S299F295-D297 PolarHBondContact O-N 3.39Å; D297-S299 PolarHBondContact OD1-N 3.21Å
298L25.3Very low28Very low152 Ų152154.6 Ų154.680%0.79682%0.82SS**  trans-95.782.1167.2-80169.3000108.9F296F296-L298 HydrophobicContact CD1-CD1 4.29Å; F296-L298 HydrophobicContact CD1-CG 4.26Å
299S29.1Very low28Very low99 Ų99158 Ų15869%0.69282%0.824SS**  trans-163.8101139.452.80000112.4D297D297-S299 PolarHBondContact OD1-N 3.21Å
300R26.9Very low28.1Very low246 Ų246153.2 Ų153.293%0.92882%0.823SS**  trans-68.8132.7161.9-81.9179.4167.5177.9-3110.1
301K29.1Very low28.1Very low187 Ų187151.1 Ų151.181%0.81382%0.823SS**  172110.1117.1-92.9174.7-175.8-177.30108.6
302Q27.3Very low28.2Very low189 Ų189154.6 Ų154.688%0.88383%0.827SS**  105.6112.277.6-142.6-178.745.600110.7
303G25.2Very low28.6Very low81 Ų81158.3 Ų158.384%0.83583%0.834SS**  trans116.3114.4136.600000118.7
304G26.6Very low29Very low84 Ų84155.8 Ų155.887%0.86683%0.833SS**  trans108.598.2133.200000117.5
305A25.3Very low29.4Very low99 Ų99151.4 Ų151.482%0.81883%0.826SS**  trans-81.2-164.4168.800000111.8
306P50.7Low29.7Very low114 Ų114149.2 Ų149.274%0.7482%0.824SS**  -124.5171.6-100.835.2-16.5000112.8
307R28.9Very low30Very low249 Ų249143.9 Ų143.994%0.9482%0.82SS**  trans-178111.4150.2-103155.4-170.5-158.44.4113.6
308G27Very low30.2Very low75 Ų75149.7 Ų149.777%0.77383%0.831SS**  55.4136.9107.200000121.9
309R28Very low30.3Very low261 Ų261146.2 Ų146.299%0.98583%0.832SS**  trans91.8125.1153.8-78.5-175169-174.9-2.6118.8
310G26.6Very low30.4Very low78 Ų78152.2 Ų152.280%0.80484%0.84SS**  119.795.4123.200000114
311G30.8Very low30.7Very low73 Ų73147.3 Ų147.375%0.75383%0.832SS**  trans-68.6168170.400000113.6
312K27.9Very low30.7Very low207 Ų207141.7 Ų141.790%0.983%0.827SS**  trans176.9129.5131.5-96.7171.1-176.6-174.30108.4
313R39Very low31.2Very low244 Ų244142 Ų14292%0.92183%0.828SS**  trans-67.6152.2156.7-71.6177.8173.1173-3108.5
314P35.3Very low31.4Very low124 Ų124148 Ų14881%0.80583%0.832SS**  -135150.4115.819.8-0.1000114
315S34.5Very low31.7Very low99 Ų99152.7 Ų152.769%0.69283%0.831SS**  trans-67.4136160.8-178.60000109.9
316D30.9Very low32Very low150 Ų150151.7 Ų151.780%0.80283%0.83SS**  168.6130.9117.9-86.7-13000112.9
317G29Very low30.9Very low70 Ų70154.8 Ų154.872%0.72284%0.835SS**  80.398.3125.700000121.7
318R30.3Very low31.3Very low262 Ų262148.8 Ų148.899%0.98983%0.828SS**  trans67.3129.1139.2-60.7-177-173.2-1692120.2
319G27Very low31.6Very low79 Ų79154.9 Ų154.981%0.81483%0.833SS**  trans144.8104.7147.100000116.1
320R32.3Very low31.7Very low226 Ų226151 Ų15185%0.85383%0.826SS**  trans-24.8150167.4-108.1177.6162.9159.1-2.2121.1
321D32.7Very low32.4Very low143 Ų143152.8 Ų152.877%0.76582%0.824SS**  trans72.8111.3144.7-56.7-29.3000119.9
322G28.5Very low33.1Very low69 Ų69159.3 Ų159.371%0.71183%0.826SS**  trans174110.5167.800000112.9F324G322-F324 PolarHBondContact O-N 3.07Å
323H38.1Very low34.1Very low195 Ų195161.1 Ų161.190%0.90383%0.827SS**  trans-37.7126.7173.1-71.5-91.2000114.4
324F29.9Very low34.6Very low207 Ų207152 Ų15291%0.90880%0.795SS**  trans-137.4128.9160.5-106.3-90.9000111.8G322G322-F324 PolarHBondContact O-N 3.07Å
325Q32.8Very low35.4Very low183 Ų183148.9 Ų148.986%0.85577%0.774SS**PPolyproline II helixtrans-52.8143.2179.7-73.8159.2-24.700112.4Q327Q325-Q327 PolarHBondContact O-N 3.09Å
326G31Very low36.3Very low78 Ų78151.2 Ų151.280%0.80478%0.775SS**PPolyproline II helixtrans-56.8121.4-177.700000112.7
327Q28.7Very low36.9Very low178 Ų178145.6 Ų145.683%0.83275%0.746SS**PPolyproline II helixtrans-68.5139.7155.4-71-176-14.100108.4Q325 K329Q325-Q327 PolarHBondContact O-N 3.09Å; Q327-K329 PolarHBondContact O-N 3.44Å; Q327-K329 VanDerWaalsContact O-N 3.13Å
328P35.8Very low37.7Very low124 Ų124148.7 Ų148.781%0.80575%0.751SS**PPolyproline II helixtrans-59.9121.9175.1-10.121.7000108.2Q330P328-Q330 PolarHBondContact O-N 2.92Å; P328-Q330 VanDerWaalsContact O-N 3.1Å
329K33.4Very low39.1Very low202 Ų202138.2 Ų138.288%0.87873%0.725SS**PPolyproline II helixtrans-54.5120169-76.8176.3177.8170.90106.8Q327Q327-K329 PolarHBondContact O-N 3.44Å; Q327-K329 VanDerWaalsContact O-N 3.13Å
330Q31.9Very low40.6Very low179 Ų179138.2 Ų138.284%0.83671%0.71SS**PPolyproline II helixtrans-52.2134.1169.1-72.5-175.7-600108.5P328 R332P328-Q330 PolarHBondContact O-N 2.92Å; P328-Q330 VanDerWaalsContact O-N 3.1Å; Q330-R332 PolarHBondContact O-N 3.34Å; Q330-R332 VanDerWaalsContact O-N 3.16Å
331P39.8Very low42.4Very low116 Ų116127.5 Ų127.575%0.75367%0.67SS**PPolyproline II helixtrans-56.7125.1-178.419.2-28.9000109.1R333P331-R333 PolarHBondContact O-N 2.77Å
332R46.5Very low44.3Very low211 Ų211127.5 Ų127.580%0.79666%0.66SS**PPolyproline II helixtrans-57.2124.1175.5-80.3177.9166.6167.6-6107.5Q330 H334Q330-R332 PolarHBondContact O-N 3.34Å; Q330-R332 VanDerWaalsContact O-N 3.16Å; R332-H334 PolarHBondContact O-N 2.99Å
333R48.6Very low46.8Very low244 Ų244127.3 Ų127.392%0.92164%0.639SS**PPolyproline II helixtrans-58.5123.4177.8-68.9-176.8179.1-178.2-0.7109.1P331P331-R333 PolarHBondContact O-N 2.77Å
334H48.6Very low48.6Very low53 Ų53118.1 Ų118.125%0.24560%0.597CS.*PPolyproline II helixtrans-61.9146179.6-54.9-79.2000111R332 Q336 T360 H361R332-H334 PolarHBondContact O-N 2.99Å; H334-Q336 PolarHBondContact O-N 3.33Å; H334-T360 PolarHBondContact CE1-O 2.94Å; H334-T360 PolarHBondContact NE2-O 3.45Å; H334-H361 AromaticContact CE1-CD2 3.55Å
335P52.7Low50.8Low58 Ų58110.2 Ų110.238%0.37756%0.564SS.*PPolyproline II helixtrans-53.6134.5173-25.835.5000111G382 H383 Y384P335-G382 CarbonylContact O-C 3.55Å; P335-G382 WeakPolarHBondContact O-CA 3.44Å; P335-H383 PolarHBondContact O-N 3.3Å; P335-Y384 VanDerWaalsContact CD-OH 3.24Å; P335-Y384 WeakPolarHBondContact CD-OH 3.35Å; P335-Y384 HydrophobicContact CG-CE1 3.8Å; P335-Y384 HydrophobicContact CG-CE2 4.26Å; P335-Y384 WeakPolarHBondContact CG-OH 3.48Å
336Q52.8Low52.4Low149 Ų149105.1 Ų105.170%0.69655%0.553SS**  trans-104.2146.9-179.2-71.2-164.2-10.400111.4H334H334-Q336 PolarHBondContact O-N 3.33Å
337P44.5Very low54.3Low32 Ų32101.8 Ų101.821%0.20852%0.518CS..  trans-66.8142.1178.129.5-35.9000111.1G339 C341 C344 H383P337-G339 WeakPolarHBondContact CB-O 3.32Å; P337-G339 PolarHBondContact O-N 2.93Å; P337-C341 HydrophobicContact CB-CB 3.79Å; P337-C341 HydrophobicContact CG-CB 4.08Å; P337-C344 HydrophobicContact CG-CB 3.87Å; P337-C344 VanDerWaalsContact CG-SG 3.51Å; P337-H383 HydrophobicContact CB-CB 4.15Å
338T45.9Very low56Low134 Ų13499.4 Ų99.482%0.82252%0.518SS*.SBendtrans-82.19.5174.753.10000113.2
339G59Low57.5Low42 Ų4297.8 Ų97.843%0.43350%0.499SS..SBendtrans-164.8-178.8-177.700000112.7P337 C341P337-G339 WeakPolarHBondContact CB-O 3.32Å; P337-G339 PolarHBondContact O-N 2.93Å; G339-C341 PolarHBondContact O-N 3.08Å
340P58.5Low59.7Low79 Ų7988.8 Ų88.851%0.51346%0.461SS..  trans-68.3101.5179.326.7-31.9000110.8Q349P340-Q349 VanDerWaalsContact CB-CD 3.43Å; P340-Q349 HydrophobicContact CB-CG 4.46Å; P340-Q349 VanDerWaalsContact CB-NE2 3.29Å; P340-Q349 VanDerWaalsContact CB-OE1 3.3Å
341C70.4Confident62.1Low2 Ų283.5 Ų83.51%0.01444%0.437CS..  trans-98.4131.4175.6-1770000109.8P337 G339 F343 C344 S347 H427P337-C341 HydrophobicContact CB-CB 3.79Å; P337-C341 HydrophobicContact CG-CB 4.08Å; G339-C341 PolarHBondContact O-N 3.08Å; C341-F343 PolarHBondContact O-N 3.41Å; C341-F343 PolarHBondContact SG-N 3.11Å; C341-C344 HydrophobicContact CB-CB 3.88Å; C341-C344 VanDerWaalsContact CB-SG 3.54Å; C341-S347 WeakPolarHBondContact O-CB 3.2Å; C341-S347 PolarHBondContact O-OG 3.26Å; C341-H427 PolarHBondContact SG-ND1 3.12Å; C341-H427 VanDerWaalsContact SG-ND1 3.42Å
342W73.9Confident64.3Low143 Ų14384.9 Ų84.954%0.54243%0.43SS..THydrogen-bonded Turntrans-78.6-12.3-179-68.941.4000112.6V350W342-V350 WeakPolarHBondContact O-CG2 3.18Å
343F79.8Confident66.3Low65 Ų6576.2 Ų76.229%0.28540%0.399SS..THydrogen-bonded Turntrans-1174.9-176.6-55.9-71.5000113C341 Y363 L377 L379 H427C341-F343 PolarHBondContact O-N 3.41Å; C341-F343 PolarHBondContact SG-N 3.11Å; F343-Y363 VanDerWaalsContact C-OH 3.31Å; F343-Y363 WeakPolarHBondContact CA-OH 3.35Å; F343-Y363 PolarHBondContact O-OH 3.36Å; F343-L377 HydrophobicContact CE1-CD1 3.91Å; F343-L379 HydrophobicContact CB-CD1 4.39Å; F343-L379 HydrophobicContact CB-CD2 4.19Å; F343-L379 HydrophobicContact CD1-CD1 3.83Å; F343-L379 HydrophobicContact CD1-CD2 4.05Å; F343-L379 HydrophobicContact CG-CD2 4.22Å; F343-H427 HydrophobicContact CB-CB 3.95Å; F343-H427 HydrophobicContact CD2-CB 4.07Å; F343-H427 HydrophobicContact CG-CB 4.44Å; F343-H427 PolarHBondContact O-CE1 3.09Å
344C77.1Confident68.4Low2 Ų265.1 Ų65.11%0.01436%0.358CS..  trans-90.4119.5171.5-760000108.9P337 C341 A346 S347 H383 H427P337-C344 HydrophobicContact CG-CB 3.87Å; P337-C344 VanDerWaalsContact CG-SG 3.51Å; C341-C344 HydrophobicContact CB-CB 3.88Å; C341-C344 VanDerWaalsContact CB-SG 3.54Å; C344-A346 PolarHBondContact O-N 3.41Å; C344-A346 VanDerWaalsContact O-N 3.07Å; C344-S347 WeakPolarHBondContact O-CB 3.35Å; C344-S347 PolarHBondContact O-N 3.1Å; C344-H383 PolarHBondContact SG-ND1 3.14Å; C344-H427 PolarHBondContact SG-CE1 2.84Å; C344-H427 PolarHBondContact SG-ND1 3.43Å
345L74.4Confident70.6Confident40 Ų4063.2 Ų63.221%0.20935%0.35CS..THydrogen-bonded Turntrans-57.4-25.6176.9-69.4179.5000113.5S347 V350 V355 I358 Y363 I381L345-S347 VanDerWaalsContact C-N 3.31Å; L345-V350 HydrophobicContact CD2-CG2 4.36Å; L345-V355 HydrophobicContact CD2-CG2 3.98Å; L345-I358 HydrophobicContact CD1-CD1 4.49Å; L345-I358 HydrophobicContact CD1-CG2 4.28Å; L345-Y363 HydrophobicContact CD1-CD1 3.74Å; L345-Y363 HydrophobicContact CD1-CD2 4.43Å; L345-Y363 HydrophobicContact CD1-CE1 4.19Å; L345-Y363 HydrophobicContact CD1-CG 3.87Å; L345-Y363 HydrophobicContact CD2-CD1 4.33Å; L345-Y363 HydrophobicContact CD2-CD2 4.06Å; L345-Y363 HydrophobicContact CD2-CE1 4.13Å; L345-Y363 HydrophobicContact CD2-CE2 3.83Å; L345-Y363 HydrophobicContact CD2-CG 4.28Å; L345-Y363 HydrophobicContact CG-CD1 3.82Å; L345-Y363 HydrophobicContact CG-CD2 4.43Å; L345-Y363 HydrophobicContact CG-CE1 3.72Å; L345-Y363 HydrophobicContact CG-CE2 4.33Å; L345-Y363 HydrophobicContact CG-CG 4.16Å; L345-I381 HydrophobicContact CD1-CD1 4.46Å; L345-I381 HydrophobicContact CD1-CG1 4Å; L345-I381 HydrophobicContact CD1-CG2 4.37Å
346A66.3Low72.5Confident76 Ų7660.7 Ų60.763%0.62833%0.333SS*.THydrogen-bonded Turntrans-78.6-10.1175.500000114.2C344C344-A346 PolarHBondContact O-N 3.41Å; C344-A346 VanDerWaalsContact O-N 3.07Å
347S71.7Confident74.5Confident9 Ų953.9 Ų53.96%0.06330%0.302CS..SBendtrans-82.6138.8179179.70000110.8C341 C344 L345 Q349 V350C341-S347 WeakPolarHBondContact O-CB 3.2Å; C341-S347 PolarHBondContact O-OG 3.26Å; C344-S347 WeakPolarHBondContact O-CB 3.35Å; C344-S347 PolarHBondContact O-N 3.1Å; L345-S347 VanDerWaalsContact C-N 3.31Å; S347-Q349 PolarHBondContact O-N 2.87Å; S347-Q349 PolarHBondContact OG-N 2.72Å; S347-V350 WeakPolarHBondContact O-CG1 2.97Å; S347-V350 PolarHBondContact O-N 3.05Å
348P65.4Low76.8Confident128 Ų12856.8 Ų56.883%0.83132%0.315SS*.THydrogen-bonded Turntrans-69.2-11.3174.429.1-34.5000113.3
349Q66.9Low79Confident90 Ų9051.2 Ų51.242%0.42128%0.284SS..THydrogen-bonded Turntrans-93.90.8-179.5-60.1-1734.800113.7P340 S347P340-Q349 VanDerWaalsContact CB-CD 3.43Å; P340-Q349 HydrophobicContact CB-CG 4.46Å; P340-Q349 VanDerWaalsContact CB-NE2 3.29Å; P340-Q349 VanDerWaalsContact CB-OE1 3.3Å; S347-Q349 PolarHBondContact O-N 2.87Å; S347-Q349 PolarHBondContact OG-N 2.72Å
350V78.6Confident80.4Confident13 Ų1353.5 Ų53.58%0.07929%0.29CS..SBendtrans-73.9131.3178.270.40000110.3W342 L345 S347 K352W342-V350 WeakPolarHBondContact O-CG2 3.18Å; L345-V350 HydrophobicContact CD2-CG2 4.36Å; S347-V350 WeakPolarHBondContact O-CG1 2.97Å; S347-V350 PolarHBondContact O-N 3.05Å; V350-K352 VanDerWaalsContact C-N 3.27Å; V350-K352 HydrophobicContact CG1-CG 3.7Å; V350-K352 PolarHBondContact O-N 3.26Å
351E82.6Confident82Confident68 Ų6852 Ų5232%0.31828%0.276SS..  trans-76.879.1176.9-62.6-78.7-152.100109H353 L354 K368E351-H353 PolarHBondContact O-N 2.89Å; E351-H353 VanDerWaalsContact O-N 3.08Å; E351-H353 IonicContact OE2-CE1 2.74Å; E351-H353 PolarHBondContact OE2-CE1 3.39Å; E351-H353 VanDerWaalsContact OE2-CE1 3.31Å; E351-H353 IonicContact OE2-ND1 3.07Å; E351-L354 HydrophobicContact CB-CD1 3.92Å; E351-L354 HydrophobicContact CB-CG 4.25Å; E351-L354 PolarHBondContact O-N 2.96Å; E351-L354 VanDerWaalsContact O-N 3.11Å; E351-K368 IonicContact OE1-NZ 2.71Å; E351-K368 PolarHBondContact OE1-NZ 2.97Å; E351-K368 VanDerWaalsContact OE1-NZ 3.13Å
352K86.6Confident83.1Confident144 Ų14451.9 Ų51.963%0.62628%0.275SS*.G310 helixtrans-58.3-24.8-172.6-65.6-178.4-177.4179.80113.6V350 L354 V355V350-K352 VanDerWaalsContact C-N 3.27Å; V350-K352 HydrophobicContact CG1-CG 3.7Å; V350-K352 PolarHBondContact O-N 3.26Å; K352-L354 PolarHBondContact O-N 3.27Å; K352-V355 WeakPolarHBondContact O-CB 3.29Å; K352-V355 WeakPolarHBondContact O-CG2 3.3Å; K352-V355 PolarHBondContact O-N 3.39Å
353H88.6Confident84.1Confident29 Ų2945.2 Ų45.213%0.13425%0.25CC..G310 helixtrans-70.9-20.7-179.168.8-78.5000113.7E351 V355 E531 D532 C535E351-H353 PolarHBondContact O-N 2.89Å; E351-H353 VanDerWaalsContact O-N 3.08Å; E351-H353 IonicContact OE2-CE1 2.74Å; E351-H353 PolarHBondContact OE2-CE1 3.39Å; E351-H353 VanDerWaalsContact OE2-CE1 3.31Å; E351-H353 IonicContact OE2-ND1 3.07Å; H353-V355 VanDerWaalsContact C-N 3.3Å; H353-E531 IonicContact CD2-OE2 2.65Å; H353-E531 IonicContact CE1-OE2 3.09Å; H353-E531 IonicContact NE2-OE2 2.58Å; H353-E531 PolarHBondContact NE2-OE2 2.9Å; H353-D532 WeakPolarHBondContact CB-OD1 3.15Å; H353-D532 IonicContact CD2-OD1 3.98Å; H353-D532 PolarHBondContact CD2-OD1 2.93Å; H353-D532 IonicContact CG-OD1 3.7Å; H353-C535 PolarHBondContact O-SG 3.5Å
354L92.4Very high84.8Confident12 Ų1242.2 Ų42.26%0.06324%0.237CC..G310 helixtrans-82.3-5.2175.5-63177.1000113.5E351 K352 V356 A365 L366 K368 E531 C535E351-L354 HydrophobicContact CB-CD1 3.92Å; E351-L354 HydrophobicContact CB-CG 4.25Å; E351-L354 PolarHBondContact O-N 2.96Å; E351-L354 VanDerWaalsContact O-N 3.11Å; K352-L354 PolarHBondContact O-N 3.27Å; L354-V356 PolarHBondContact O-N 2.97Å; L354-A365 CarbonylContact O-C 3.5Å; L354-A365 WeakPolarHBondContact O-CA 3.35Å; L354-A365 WeakPolarHBondContact O-CB 3.17Å; L354-L366 HydrophobicContact CB-CB 4.48Å; L354-L366 HydrophobicContact CD2-CB 4.28Å; L354-L366 HydrophobicContact CD2-CD2 4.25Å; L354-L366 PolarHBondContact O-N 3.2Å; L354-K368 HydrophobicContact CD1-CB 4.49Å; L354-E531 HydrophobicContact CD2-CB 3.78Å; L354-E531 HydrophobicContact CD2-CG 4.05Å; L354-C535 VanDerWaalsContact C-SG 3.55Å
355V93.9Very high85.7Confident12 Ų1242.5 Ų42.57%0.07324%0.239CC..EExtended strand (participates in β ladder)trans-74.6124-177.9178.10000109.9L345 K352 H353 I358 Y363 R539L345-V355 HydrophobicContact CD2-CG2 3.98Å; K352-V355 WeakPolarHBondContact O-CB 3.29Å; K352-V355 WeakPolarHBondContact O-CG2 3.3Å; K352-V355 PolarHBondContact O-N 3.39Å; H353-V355 VanDerWaalsContact C-N 3.3Å; V355-I358 HydrophobicContact CG1-CD1 3.85Å; V355-I358 HydrophobicContact CG1-CG1 3.47Å; V355-I358 VanDerWaalsContact CG1-CG1 3.47Å; V355-Y363 HydrophobicContact CG1-CD2 4.13Å; V355-Y363 HydrophobicContact CG2-CD2 4.16Å; V355-Y363 HydrophobicContact CG2-CE2 4.06Å; V355-R539 PolarHBondContact O-NH2 3.03Å
356V93.8Very high86.7Confident5 Ų540.8 Ų40.83%0.0323%0.23CC..EExtended strand (participates in β ladder)trans-92.8-51-178.2-1790000110.7L354 L364 L538 R539 F542L354-V356 PolarHBondContact O-N 2.97Å; V356-L364 HydrophobicContact CB-CB 4.33Å; V356-L364 HydrophobicContact CB-CD2 4.11Å; V356-L364 HydrophobicContact CB-CG 4.25Å; V356-L364 HydrophobicContact CG1-CD2 4.05Å; V356-L364 PolarHBondContact N-O 3.05Å; V356-L538 HydrophobicContact CG1-CG 4.32Å; V356-L538 HydrophobicContact CG2-CD2 3.77Å; V356-L538 HydrophobicContact CG2-CG 4.3Å; V356-R539 HydrophobicContact CG1-CB 4.17Å; V356-R539 PolarHBondContact O-NE 3.41Å; V356-R539 VanDerWaalsContact O-NE 3.1Å; V356-F542 HydrophobicContact CG1-CD1 4.39Å
357S94.4Very high87.9Confident6 Ų637.3 Ų37.34%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-142.1147.9-176171.60000109.8Y363 L364 Y401 D546S357-Y363 CarbonylContact O-C 3.55Å; S357-Y363 WeakPolarHBondContact O-CA 3.19Å; S357-Y363 WeakPolarHBondContact O-CB 3.33Å; S357-L364 PolarHBondContact N-O 2.93Å; S357-L364 PolarHBondContact O-N 2.91Å; S357-Y401 PolarHBondContact OG-OH 2.82Å; S357-D546 WeakPolarHBondContact CB-OD2 3.46Å; S357-D546 PolarHBondContact OG-OD1 3.11Å; S357-D546 PolarHBondContact OG-OD2 3.47Å
358I93.4Very high88.8Confident94 Ų9440.1 Ų40.148%0.48221%0.213SC..EExtended strand (participates in β ladder)trans-130.5116.6177.6-55.6175.3000108.2L345 V355 I381L345-I358 HydrophobicContact CD1-CD1 4.49Å; L345-I358 HydrophobicContact CD1-CG2 4.28Å; V355-I358 HydrophobicContact CG1-CD1 3.85Å; V355-I358 HydrophobicContact CG1-CG1 3.47Å; V355-I358 VanDerWaalsContact CG1-CG1 3.47Å; I358-I381 HydrophobicContact CG2-CD1 4.14Å
359G91.4Very high89.9Confident16 Ų1634.1 Ų34.117%0.16517%0.174CC..  trans-93.8-158.5172.400000112.5C362 I381 E397 Y401G359-C362 WeakPolarHBondContact CA-O 3.31Å; G359-C362 PolarHBondContact N-O 2.97Å; G359-I381 WeakPolarHBondContact O-CD1 3.39Å; G359-E397 VanDerWaalsContact C-OE1 3.3Å; G359-E397 VanDerWaalsContact CA-OE1 3.31Å; G359-E397 WeakPolarHBondContact CA-OE1 3.48Å; G359-Y401 PolarHBondContact N-OH 2.89Å
360T89.4Confident91Very high90 Ų9030 Ų3055%0.55216%0.155SC*.SBendtrans-78.2-39.6-178.8-56.10000112.3H334 E397H334-T360 PolarHBondContact CE1-O 2.94Å; H334-T360 PolarHBondContact NE2-O 3.45Å; T360-E397 PolarHBondContact N-OE1 2.72Å
361H90.4Very high91.6Very high47 Ų4729.7 Ų29.722%0.21815%0.153CC..SBendtrans-127.2-18.7-176.7-51.589000113.5H334 P380 I381 V394 E397H334-H361 AromaticContact CE1-CD2 3.55Å; H361-P380 CarbonylContact O-C 3.55Å; H361-P380 WeakPolarHBondContact O-CA 3.25Å; H361-I381 PolarHBondContact O-N 2.88Å; H361-V394 HydrophobicContact CB-CB 4.34Å; H361-V394 HydrophobicContact CB-CG1 4.15Å; H361-V394 HydrophobicContact CB-CG2 3.95Å; H361-E397 WeakPolarHBondContact CA-OE2 3.37Å; H361-E397 WeakPolarHBondContact CB-OE2 3.39Å; H361-E397 IonicContact CE1-OE2 2.77Å; H361-E397 IonicContact CG-OE2 3.04Å; H361-E397 VanDerWaalsContact CG-OE2 3.32Å; H361-E397 PolarHBondContact N-OE1 2.73Å; H361-E397 PolarHBondContact N-OE2 3.38Å; H361-E397 IonicContact ND1-OE2 2.83Å; H361-E397 PolarHBondContact ND1-OE2 3.31Å
362C94.1Very high92Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-124.6158.3179.2-700000110.3G359 I378 L379 E397 Y401G359-C362 WeakPolarHBondContact CA-O 3.31Å; G359-C362 PolarHBondContact N-O 2.97Å; C362-I378 HydrophobicContact CB-CG2 4.42Å; C362-L379 CarbonylContact C-O 3.56Å; C362-L379 VanDerWaalsContact CA-O 3.31Å; C362-L379 WeakPolarHBondContact CA-O 3.43Å; C362-E397 HydrophobicContact CB-CG 4.31Å; C362-E397 PolarHBondContact N-OE1 3.18Å; C362-Y401 HydrophobicContact CB-CD2 3.83Å; C362-Y401 HydrophobicContact CB-CE2 3.78Å
363Y94.2Very high92.2Very high4 Ų425.4 Ų25.42%0.01615%0.145CC..EExtended strand (participates in β ladder)trans-139.2153.9171.276.4-84000109.7F343 L345 V355 S357 A365 L379 I381F343-Y363 VanDerWaalsContact C-OH 3.31Å; F343-Y363 WeakPolarHBondContact CA-OH 3.35Å; F343-Y363 PolarHBondContact O-OH 3.36Å; L345-Y363 HydrophobicContact CD1-CD1 3.74Å; L345-Y363 HydrophobicContact CD1-CD2 4.43Å; L345-Y363 HydrophobicContact CD1-CE1 4.19Å; L345-Y363 HydrophobicContact CD1-CG 3.87Å; L345-Y363 HydrophobicContact CD2-CD1 4.33Å; L345-Y363 HydrophobicContact CD2-CD2 4.06Å; L345-Y363 HydrophobicContact CD2-CE1 4.13Å; L345-Y363 HydrophobicContact CD2-CE2 3.83Å; L345-Y363 HydrophobicContact CD2-CG 4.28Å; L345-Y363 HydrophobicContact CG-CD1 3.82Å; L345-Y363 HydrophobicContact CG-CD2 4.43Å; L345-Y363 HydrophobicContact CG-CE1 3.72Å; L345-Y363 HydrophobicContact CG-CE2 4.33Å; L345-Y363 HydrophobicContact CG-CG 4.16Å; V355-Y363 HydrophobicContact CG1-CD2 4.13Å; V355-Y363 HydrophobicContact CG2-CD2 4.16Å; V355-Y363 HydrophobicContact CG2-CE2 4.06Å; S357-Y363 CarbonylContact O-C 3.55Å; S357-Y363 WeakPolarHBondContact O-CA 3.19Å; S357-Y363 WeakPolarHBondContact O-CB 3.33Å; Y363-A365 HydrophobicContact CD2-CB 4.28Å; Y363-A365 HydrophobicContact CE2-CB 3.89Å; Y363-L379 HydrophobicContact CD1-CB 3.88Å; Y363-L379 WeakPolarHBondContact CD1-O 3.29Å; Y363-L379 HydrophobicContact CE1-CB 3.41Å; Y363-L379 VanDerWaalsContact CE1-CB 3.41Å; Y363-L379 HydrophobicContact CE1-CD1 4.17Å; Y363-L379 HydrophobicContact CE1-CG 4.41Å; Y363-L379 HydrophobicContact CE2-CB 4.23Å; Y363-L379 HydrophobicContact CE2-CD1 3.66Å; Y363-L379 HydrophobicContact CG-CB 4.46Å; Y363-L379 VanDerWaalsContact CZ-CD1 3.44Å; Y363-L379 PolarHBondContact N-O 3.21Å; Y363-L379 PolarHBondContact O-N 3.28Å; Y363-L379 VanDerWaalsContact OH-CD1 3.26Å; Y363-L379 WeakPolarHBondContact OH-CD1 3.13Å; Y363-I381 HydrophobicContact CD1-CG1 4.07Å
364L95.6Very high92.5Very high1 Ų126.9 Ų26.91%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-102.4133.5177.8-168.370.1000108.9V356 S357 V376 I378 Y401 L405 F542V356-L364 HydrophobicContact CB-CB 4.33Å; V356-L364 HydrophobicContact CB-CD2 4.11Å; V356-L364 HydrophobicContact CB-CG 4.25Å; V356-L364 HydrophobicContact CG1-CD2 4.05Å; V356-L364 PolarHBondContact N-O 3.05Å; S357-L364 PolarHBondContact N-O 2.93Å; S357-L364 PolarHBondContact O-N 2.91Å; L364-V376 HydrophobicContact CD1-CB 3.83Å; L364-V376 HydrophobicContact CD1-CG2 3.68Å; L364-V376 HydrophobicContact CG-CB 4.24Å; L364-V376 HydrophobicContact CG-CG2 4.48Å; L364-I378 HydrophobicContact CD1-CG1 3.99Å; L364-Y401 HydrophobicContact CB-CE1 4.33Å; L364-L405 HydrophobicContact CD1-CD1 3.89Å; L364-L405 HydrophobicContact CD1-CD2 4.42Å; L364-L405 HydrophobicContact CD2-CD2 4.11Å; L364-F542 HydrophobicContact CD2-CD1 3.96Å; L364-F542 HydrophobicContact CD2-CE1 3.8Å; L364-F542 HydrophobicContact CD2-CZ 4.24Å
365A95.3Very high92.6Very high8 Ų826.3 Ų26.37%0.06615%0.147CC..EExtended strand (participates in β ladder)trans-136.3149.1174.300000112L354 Y363 V376 L377 L379L354-A365 CarbonylContact O-C 3.5Å; L354-A365 WeakPolarHBondContact O-CA 3.35Å; L354-A365 WeakPolarHBondContact O-CB 3.17Å; Y363-A365 HydrophobicContact CD2-CB 4.28Å; Y363-A365 HydrophobicContact CE2-CB 3.89Å; A365-V376 CarbonylContact O-C 3.53Å; A365-V376 WeakPolarHBondContact O-CA 3.33Å; A365-L377 PolarHBondContact N-O 3.31Å; A365-L377 PolarHBondContact O-N 3Å; A365-L379 HydrophobicContact CB-CD1 4.11Å
366L94.9Very high92.8Very high4 Ų425.8 Ų25.82%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-67.3136.3171.4-174.469.7000110L354 C535 L538L354-L366 HydrophobicContact CB-CB 4.48Å; L354-L366 HydrophobicContact CD2-CB 4.28Å; L354-L366 HydrophobicContact CD2-CD2 4.25Å; L354-L366 PolarHBondContact O-N 3.2Å; L366-C535 HydrophobicContact CD2-CB 4.32Å; L366-L538 HydrophobicContact CD1-CD2 3.79Å
367A93.1Very high92.9Very high3 Ų325.9 Ų25.93%0.02514%0.144CC..PPolyproline II helixtrans-72.7131.2177.500000110.9G369 P370 H375 L377A367-G369 PolarHBondContact O-N 3.39Å; A367-P370 HydrophobicContact CB-CB 4.48Å; A367-P370 VanDerWaalsContact O-CD 3.27Å; A367-P370 WeakPolarHBondContact O-CD 3.34Å; A367-H375 HydrophobicContact CB-CB 4.4Å; A367-H375 WeakPolarHBondContact CB-O 3.28Å; A367-H375 PolarHBondContact N-O 3.02Å; A367-L377 HydrophobicContact CB-CD1 4.5Å; A367-L377 HydrophobicContact CB-CD2 4Å; A367-L377 HydrophobicContact CB-CG 4.07Å
368K89Confident93Very high69 Ų6925.6 Ų25.630%0.314%0.142SC..SBendtrans-66.1127.2172.6-166.4161-164.2155.10110.3E351 L354 W521 E531E351-K368 IonicContact OE1-NZ 2.71Å; E351-K368 PolarHBondContact OE1-NZ 2.97Å; E351-K368 VanDerWaalsContact OE1-NZ 3.13Å; L354-K368 HydrophobicContact CD1-CB 4.49Å; K368-W521 HydrophobicContact CD-CZ3 4.26Å; K368-W521 HydrophobicContact CG-CE3 4.38Å; K368-W521 HydrophobicContact CG-CZ3 4.3Å; K368-E531 WeakPolarHBondContact CE-OE1 3.43Å
369G88.6Confident93Very high1 Ų121.2 Ų21.21%0.0112%0.119CC..SBendtrans58.663.7-170.400000111.5A367 R504 C524A367-G369 PolarHBondContact O-N 3.39Å; G369-R504 PolarHBondContact O-NH1 2.96Å; G369-R504 VanDerWaalsContact O-NH1 3.09Å; G369-R504 PolarHBondContact O-NH2 2.85Å; G369-C524 VanDerWaalsContact CA-O 3.29Å; G369-C524 WeakPolarHBondContact CA-O 3.32Å
370P90.9Very high93.1Very high4 Ų420.4 Ų20.43%0.02611%0.111CC..  trans-69.2153.6-172.530.8-34.7000111.5A367 T372 H375 R518A367-P370 HydrophobicContact CB-CB 4.48Å; A367-P370 VanDerWaalsContact O-CD 3.27Å; A367-P370 WeakPolarHBondContact O-CD 3.34Å; P370-T372 WeakPolarHBondContact CB-O 3.43Å; P370-H375 HydrophobicContact CB-CB 3.72Å; P370-R518 PolarHBondContact O-NE 3.17Å; P370-R518 VanDerWaalsContact O-NE 3.12Å; P370-R518 PolarHBondContact O-NH2 2.61Å
371L90.9Very high93Very high7 Ų717.8 Ų17.84%0.0379%0.093CC..SBendtrans-75.7-40.5175.8-77.5174.8000110.2H375 V433 R504 L507 A508 L513 I515 R518L371-H375 PolarHBondContact N-ND1 3.47Å; L371-V433 HydrophobicContact CB-CG1 4.3Å; L371-V433 HydrophobicContact CD1-CG1 4.21Å; L371-V433 HydrophobicContact CD1-CG2 4.13Å; L371-R504 HydrophobicContact CD1-CB 4.13Å; L371-R504 HydrophobicContact CD1-CG 4.11Å; L371-L507 HydrophobicContact CD1-CB 3.97Å; L371-L507 HydrophobicContact CD1-CD1 4.49Å; L371-A508 HydrophobicContact CD2-CB 4.01Å; L371-L513 HydrophobicContact CB-CD1 4.23Å; L371-I515 HydrophobicContact CB-CD1 4.41Å; L371-I515 HydrophobicContact CD2-CD1 4.19Å; L371-I515 VanDerWaalsContact O-CD1 3.26Å; L371-I515 WeakPolarHBondContact O-CD1 3.43Å; L371-R518 HydrophobicContact CD2-CB 4.03Å; L371-R518 VanDerWaalsContact CD2-O 3.28Å; L371-R518 WeakPolarHBondContact CD2-O 3.47Å
372T91.3Very high92.5Very high16 Ų1615.6 Ų15.610%0.0988%0.083CC..SBendtrans-128.8154.9174.657.40000108.9P370 R374 H375 P434 L513P370-T372 WeakPolarHBondContact CB-O 3.43Å; T372-R374 PolarHBondContact O-N 2.96Å; T372-H375 VanDerWaalsContact O-CB 3.31Å; T372-H375 WeakPolarHBondContact O-CB 3.43Å; T372-H375 PolarHBondContact O-N 2.7Å; T372-P434 WeakPolarHBondContact CG2-O 3.44Å; T372-P434 VanDerWaalsContact OG1-CD 3.31Å; T372-P434 WeakPolarHBondContact OG1-CD 3.45Å; T372-P434 VanDerWaalsContact OG1-CG 3.31Å; T372-P434 WeakPolarHBondContact OG1-CG 3.06Å; T372-L513 HydrophobicContact CG2-CD1 3.78Å; T372-L513 HydrophobicContact CG2-CD2 4.03Å
373P90.4Very high91.9Very high105 Ų10517.8 Ų17.868%0.6829%0.093SC*.THydrogen-bonded Turntrans-54.6-22.2-175.8-28.436000115.2
374R94.4Very high91.6Very high61 Ų6119.2 Ų19.223%0.2310%0.099CC..THydrogen-bonded Turntrans-108.821.8-179.2-56.7176.3-85.9-124.7-6.7113.2T372 V376 Y409 E414 P434 L538T372-R374 PolarHBondContact O-N 2.96Å; R374-V376 PolarHBondContact O-N 3.45Å; R374-Y409 HydrophobicContact CB-CE1 3.83Å; R374-Y409 PolarHBondContact O-OH 3.27Å; R374-E414 VanDerWaalsContact CZ-CD 3.48Å; R374-E414 IonicContact CZ-OE1 2.61Å; R374-E414 IonicContact CZ-OE2 3.68Å; R374-E414 IonicContact NE-OE1 3.79Å; R374-E414 IonicContact NE-OE2 3.64Å; R374-E414 PolarHBondContact NE-OE2 3.25Å; R374-E414 IonicContact NH2-OE1 3.34Å; R374-E414 PolarHBondContact NH2-OE1 2.88Å; R374-E414 IonicContact NH2-OE2 3.06Å; R374-E414 PolarHBondContact NH2-OE2 3.41Å; R374-E414 VanDerWaalsContact NH2-OE2 3.07Å; R374-P434 HydrophobicContact CB-CG 3.83Å; R374-L538 HydrophobicContact CB-CD1 4.19Å; R374-L538 HydrophobicContact CG-CD1 4.1Å
375H95.6Very high91.1Very high0 Ų022.6 Ų22.60%012%0.115CC..  trans-72.6114.2174.7179.6-170000110.5A367 P370 L371 T372 Q431 V432 V433A367-H375 HydrophobicContact CB-CB 4.4Å; A367-H375 WeakPolarHBondContact CB-O 3.28Å; A367-H375 PolarHBondContact N-O 3.02Å; P370-H375 HydrophobicContact CB-CB 3.72Å; L371-H375 PolarHBondContact N-ND1 3.47Å; T372-H375 VanDerWaalsContact O-CB 3.31Å; T372-H375 WeakPolarHBondContact O-CB 3.43Å; T372-H375 PolarHBondContact O-N 2.7Å; H375-Q431 PolarHBondContact CE1-OE1 2.92Å; H375-Q431 PolarHBondContact NE2-OE1 3Å; H375-V432 PolarHBondContact CD2-O 2.79Å; H375-V432 VanDerWaalsContact CD2-O 3.24Å; H375-V433 VanDerWaalsContact NE2-CG2 3.32Å; H375-V433 WeakPolarHBondContact NE2-CG2 3.49Å
376V96.9Very high90.8Very high1 Ų122.2 Ų22.21%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-119.9164.1-175.7-60.20000112.8L364 A365 R374 L405 Y409 V432 L538L364-V376 HydrophobicContact CD1-CB 3.83Å; L364-V376 HydrophobicContact CD1-CG2 3.68Å; L364-V376 HydrophobicContact CG-CB 4.24Å; L364-V376 HydrophobicContact CG-CG2 4.48Å; A365-V376 CarbonylContact O-C 3.53Å; A365-V376 WeakPolarHBondContact O-CA 3.33Å; R374-V376 PolarHBondContact O-N 3.45Å; V376-L405 HydrophobicContact CG2-CD1 3.81Å; V376-L405 HydrophobicContact CG2-CD2 4Å; V376-Y409 VanDerWaalsContact CG2-OH 3.29Å; V376-Y409 WeakPolarHBondContact CG2-OH 3.46Å; V376-V432 HydrophobicContact CG2-CB 3.79Å; V376-V432 HydrophobicContact CG2-CG1 4.43Å; V376-V432 HydrophobicContact CG2-CG2 4.38Å; V376-V432 PolarHBondContact N-O 3.04Å; V376-V432 VanDerWaalsContact N-O 3.1Å; V376-V432 PolarHBondContact O-N 2.95Å; V376-L538 HydrophobicContact CG1-CD2 3.47Å; V376-L538 VanDerWaalsContact CG1-CD2 3.47Å
377L96.4Very high90.5Very high7 Ų722.9 Ų22.94%0.03712%0.116CC..EExtended strand (participates in β ladder)trans-118.6126.7175.2-50-179000108.8F343 A365 A367 L379 L430 Q431F343-L377 HydrophobicContact CE1-CD1 3.91Å; A365-L377 PolarHBondContact N-O 3.31Å; A365-L377 PolarHBondContact O-N 3Å; A367-L377 HydrophobicContact CB-CD1 4.5Å; A367-L377 HydrophobicContact CB-CD2 4Å; A367-L377 HydrophobicContact CB-CG 4.07Å; L377-L379 HydrophobicContact CB-CD1 3.95Å; L377-L379 HydrophobicContact CB-CD2 4.23Å; L377-L379 HydrophobicContact CB-CG 3.9Å; L377-L379 HydrophobicContact CD1-CD1 4.37Å; L377-L430 WeakPolarHBondContact CA-O 3.25Å; L377-Q431 HydrophobicContact CD2-CB 4.14Å; L377-Q431 HydrophobicContact CD2-CG 3.63Å; L377-Q431 VanDerWaalsContact CD2-NE2 3.26Å
378I96.6Very high90.3Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-90.7121163.8-49.6169.2000107.3C362 L364 M398 Y401 K402 L405 L430 V432C362-I378 HydrophobicContact CB-CG2 4.42Å; L364-I378 HydrophobicContact CD1-CG1 3.99Å; I378-M398 HydrophobicContact CB-CE 4.21Å; I378-M398 HydrophobicContact CG2-CE 3.65Å; I378-M398 HydrophobicContact CG2-CG 4.1Å; I378-Y401 HydrophobicContact CG2-CD2 4.4Å; I378-Y401 HydrophobicContact CG2-CG 4.47Å; I378-K402 HydrophobicContact CD1-CG 3.93Å; I378-L405 HydrophobicContact CD1-CD1 3.88Å; I378-L405 HydrophobicContact CG1-CD1 3.97Å; I378-L430 HydrophobicContact CB-CB 4.36Å; I378-L430 HydrophobicContact CB-CD2 4.48Å; I378-L430 HydrophobicContact CD1-CD2 4.03Å; I378-L430 PolarHBondContact N-O 2.76Å; I378-L430 PolarHBondContact O-N 2.8Å; I378-V432 HydrophobicContact CD1-CG2 3.97Å; I378-V432 HydrophobicContact CG1-CG2 4.04Å
379L94.2Very high90.1Very high1 Ų123 Ų231%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-127.8131.7-172.2-62.2164000108.7F343 C362 Y363 A365 L377 L428 Q429F343-L379 HydrophobicContact CB-CD1 4.39Å; F343-L379 HydrophobicContact CB-CD2 4.19Å; F343-L379 HydrophobicContact CD1-CD1 3.83Å; F343-L379 HydrophobicContact CD1-CD2 4.05Å; F343-L379 HydrophobicContact CG-CD2 4.22Å; C362-L379 CarbonylContact C-O 3.56Å; C362-L379 VanDerWaalsContact CA-O 3.31Å; C362-L379 WeakPolarHBondContact CA-O 3.43Å; Y363-L379 HydrophobicContact CD1-CB 3.88Å; Y363-L379 WeakPolarHBondContact CD1-O 3.29Å; Y363-L379 HydrophobicContact CE1-CB 3.41Å; Y363-L379 VanDerWaalsContact CE1-CB 3.41Å; Y363-L379 HydrophobicContact CE1-CD1 4.17Å; Y363-L379 HydrophobicContact CE1-CG 4.41Å; Y363-L379 HydrophobicContact CE2-CB 4.23Å; Y363-L379 HydrophobicContact CE2-CD1 3.66Å; Y363-L379 HydrophobicContact CG-CB 4.46Å; Y363-L379 VanDerWaalsContact CZ-CD1 3.44Å; Y363-L379 PolarHBondContact N-O 3.21Å; Y363-L379 PolarHBondContact O-N 3.28Å; Y363-L379 VanDerWaalsContact OH-CD1 3.26Å; Y363-L379 WeakPolarHBondContact OH-CD1 3.13Å; A365-L379 HydrophobicContact CB-CD1 4.11Å; L377-L379 HydrophobicContact CB-CD1 3.95Å; L377-L379 HydrophobicContact CB-CD2 4.23Å; L377-L379 HydrophobicContact CB-CG 3.9Å; L377-L379 HydrophobicContact CD1-CD1 4.37Å; L379-L428 WeakPolarHBondContact CD2-O 3.36Å; L379-Q429 HydrophobicContact CD2-CB 3.98Å
380P92.3Very high90.1Very high0 Ų023 Ų230%012%0.117CC..EExtended strand (participates in β ladder)trans-68.7144.5168.729.5-32.5000109.7H361 G382 Y384 L390 V394 H427 L428H361-P380 CarbonylContact O-C 3.55Å; H361-P380 WeakPolarHBondContact O-CA 3.25Å; P380-G382 VanDerWaalsContact C-N 3.27Å; P380-G382 CarbonylContact C-O 3.49Å; P380-G382 WeakPolarHBondContact CG-O 3.5Å; P380-Y384 HydrophobicContact CB-CD2 3.7Å; P380-Y384 HydrophobicContact CB-CE2 4.24Å; P380-Y384 HydrophobicContact CG-CD2 3.86Å; P380-L390 HydrophobicContact CB-CD2 4.3Å; P380-L390 HydrophobicContact CG-CD2 4.33Å; P380-V394 HydrophobicContact CB-CG1 4.12Å; P380-H427 PolarHBondContact O-CE1 3.48Å; P380-H427 PolarHBondContact O-NE2 2.79Å; P380-L428 WeakPolarHBondContact CD-O 3.24Å; P380-L428 HydrophobicContact CG-CB 3.98Å; P380-L428 HydrophobicContact CG-CD2 4.12Å; P380-L428 HydrophobicContact CG-CG 4.37Å
381I87.6Confident90Very high34 Ų3425 Ų2517%0.17413%0.132CC..SBendtrans-64.5-38.7173.5-62.4177.2000109.8L345 I358 G359 H361 Y363L345-I381 HydrophobicContact CD1-CD1 4.46Å; L345-I381 HydrophobicContact CD1-CG1 4Å; L345-I381 HydrophobicContact CD1-CG2 4.37Å; I358-I381 HydrophobicContact CG2-CD1 4.14Å; G359-I381 WeakPolarHBondContact O-CD1 3.39Å; H361-I381 PolarHBondContact O-N 2.88Å; Y363-I381 HydrophobicContact CD1-CG1 4.07Å
382G79.4Confident89.9Confident1 Ų128 Ų281%0.0115%0.153CC..SBendtrans-74.4154.2171.500000112.9P335 P380 Y384 H427P335-G382 CarbonylContact O-C 3.55Å; P335-G382 WeakPolarHBondContact O-CA 3.44Å; P380-G382 VanDerWaalsContact C-N 3.27Å; P380-G382 CarbonylContact C-O 3.49Å; P380-G382 WeakPolarHBondContact CG-O 3.5Å; G382-Y384 VanDerWaalsContact O-CD2 3.28Å; G382-Y384 WeakPolarHBondContact O-CD2 3.47Å; G382-Y384 PolarHBondContact O-N 3.16Å; G382-Y384 VanDerWaalsContact O-N 3.17Å; G382-H427 PolarHBondContact O-CE1 2.94Å; G382-H427 VanDerWaalsContact O-CE1 3.23Å; G382-H427 PolarHBondContact O-NE2 3.39Å
383H82.9Confident89.9Confident46 Ų4630.5 Ų30.521%0.21317%0.166CC..  trans-79.897.5176.6-164.475.6000110.9P335 P337 C344 Q426 H427P335-H383 PolarHBondContact O-N 3.3Å; P337-H383 HydrophobicContact CB-CB 4.15Å; C344-H383 PolarHBondContact SG-ND1 3.14Å; H383-Q426 PolarHBondContact CE1-O 3.44Å; H383-Q426 PolarHBondContact NE2-O 2.95Å; H383-Q426 VanDerWaalsContact NE2-O 3.12Å; H383-H427 AromaticContact ND1-ND1 3.22Å; H383-H427 PolarHBondContact ND1-ND1 3.15Å
384Y86.3Confident90Very high34 Ų3425.6 Ų25.613%0.13313%0.134CC..  trans-121144.4173.1-59.1-86.7000108.8P335 P380 G382 L390 V394 H427 L428P335-Y384 VanDerWaalsContact CD-OH 3.24Å; P335-Y384 WeakPolarHBondContact CD-OH 3.35Å; P335-Y384 HydrophobicContact CG-CE1 3.8Å; P335-Y384 HydrophobicContact CG-CE2 4.26Å; P335-Y384 WeakPolarHBondContact CG-OH 3.48Å; P380-Y384 HydrophobicContact CB-CD2 3.7Å; P380-Y384 HydrophobicContact CB-CE2 4.24Å; P380-Y384 HydrophobicContact CG-CD2 3.86Å; G382-Y384 VanDerWaalsContact O-CD2 3.28Å; G382-Y384 WeakPolarHBondContact O-CD2 3.47Å; G382-Y384 PolarHBondContact O-N 3.16Å; G382-Y384 VanDerWaalsContact O-N 3.17Å; Y384-L390 HydrophobicContact CD1-CD2 3.95Å; Y384-L390 HydrophobicContact CD2-CD2 3.62Å; Y384-L390 HydrophobicContact CE2-CD2 4.21Å; Y384-L390 HydrophobicContact CG-CD2 3.46Å; Y384-L390 VanDerWaalsContact CG-CD2 3.46Å; Y384-V394 HydrophobicContact CE2-CG2 4.48Å; Y384-H427 CarbonylContact O-C 3.56Å; Y384-H427 WeakPolarHBondContact O-CA 3.33Å; Y384-L428 WeakPolarHBondContact O-CB 3.4Å; Y384-L428 PolarHBondContact O-N 3.46Å
385Q85.5Confident89.9Confident72 Ų7224.6 Ų24.634%0.33613%0.134SC..SBendtrans-82.7-32-177.6-171.8172.313.100112.6E389 S425Q385-E389 WeakPolarHBondContact CB-OE2 3.3Å; Q385-E389 PolarHBondContact N-OE2 3.39Å; Q385-E389 VanDerWaalsContact N-OE2 3.1Å; Q385-S425 WeakPolarHBondContact CG-O 3.4Å; Q385-S425 PolarHBondContact NE2-O 3.06Å
386S90.1Very high89.8Confident0 Ų030.2 Ų30.20%016%0.161CC..SBendtrans-153.4164.1-170.859.10000113.1V388 E389 E420 N422S386-V388 PolarHBondContact O-N 3.36Å; S386-V388 WeakPolarHBondContact OG-CG2 3Å; S386-E389 PolarHBondContact O-N 2.94Å; S386-E420 WeakPolarHBondContact CA-OE1 3.33Å; S386-E420 VanDerWaalsContact CB-OE1 3.27Å; S386-E420 WeakPolarHBondContact CB-OE1 3.46Å; S386-N422 WeakPolarHBondContact CB-ND2 3.29Å
387V88.3Confident89.7Confident19 Ų1930.8 Ų30.812%0.11516%0.163CC..G310 helixtrans-60.4-33.5177.6173.40000111.4E389 L390 M398 E420 L428 Y479V387-E389 PolarHBondContact O-N 2.89Å; V387-L390 HydrophobicContact CG1-CD1 4.45Å; V387-L390 WeakPolarHBondContact O-CB 3.48Å; V387-L390 WeakPolarHBondContact O-CG 3.23Å; V387-L390 PolarHBondContact O-N 2.83Å; V387-M398 HydrophobicContact CG2-SD 4.11Å; V387-E420 WeakPolarHBondContact CB-OE2 3.15Å; V387-E420 WeakPolarHBondContact CG2-OE2 3.42Å; V387-E420 PolarHBondContact N-OE1 3.02Å; V387-L428 HydrophobicContact CG2-CD1 3.73Å; V387-L428 HydrophobicContact CG2-CD2 3.82Å; V387-L428 HydrophobicContact CG2-CG 4.43Å; V387-Y479 PolarHBondContact N-OH 3.1Å
388V88Confident89.6Confident5 Ų530.6 Ų30.63%0.0316%0.162CC..G310 helixtrans-67.4-16.4-179.4-600000114S386 L469 K470 A473 Y479S386-V388 PolarHBondContact O-N 3.36Å; S386-V388 WeakPolarHBondContact OG-CG2 3Å; V388-L469 HydrophobicContact CG1-CB 3.93Å; V388-K470 HydrophobicContact CB-CG 4.04Å; V388-K470 HydrophobicContact CG1-CG 4.26Å; V388-K470 VanDerWaalsContact O-CE 3.25Å; V388-K470 WeakPolarHBondContact O-CE 3.5Å; V388-A473 HydrophobicContact CG1-CB 4.27Å; V388-Y479 HydrophobicContact CG1-CE1 3.95Å; V388-Y479 HydrophobicContact CG2-CE1 4.01Å
389E85.6Confident89.4Confident68 Ų6833.8 Ų33.832%0.31818%0.177SC..G310 helixtrans-93.3-8.4178.1-71172.8-165.700113.6Q385 S386 V387 P475Q385-E389 WeakPolarHBondContact CB-OE2 3.3Å; Q385-E389 PolarHBondContact N-OE2 3.39Å; Q385-E389 VanDerWaalsContact N-OE2 3.1Å; S386-E389 PolarHBondContact O-N 2.94Å; V387-E389 PolarHBondContact O-N 2.89Å; E389-P475 HydrophobicContact CG-CB 4.35Å
390L88.8Confident89.5Confident2 Ų239.5 Ų39.51%0.0120%0.202CC..  trans-71.3144.2-176.6-62.2-176.8000112.3P380 Y384 V387 V394 V395 M398 L428 K470P380-L390 HydrophobicContact CB-CD2 4.3Å; P380-L390 HydrophobicContact CG-CD2 4.33Å; Y384-L390 HydrophobicContact CD1-CD2 3.95Å; Y384-L390 HydrophobicContact CD2-CD2 3.62Å; Y384-L390 HydrophobicContact CE2-CD2 4.21Å; Y384-L390 HydrophobicContact CG-CD2 3.46Å; Y384-L390 VanDerWaalsContact CG-CD2 3.46Å; V387-L390 HydrophobicContact CG1-CD1 4.45Å; V387-L390 WeakPolarHBondContact O-CB 3.48Å; V387-L390 WeakPolarHBondContact O-CG 3.23Å; V387-L390 PolarHBondContact O-N 2.83Å; L390-V394 HydrophobicContact CB-CB 4.28Å; L390-V394 HydrophobicContact CD1-CG1 4.11Å; L390-V394 HydrophobicContact CD2-CB 4.36Å; L390-V394 HydrophobicContact CD2-CG1 3.83Å; L390-V394 HydrophobicContact CG-CG1 4.38Å; L390-V395 HydrophobicContact CB-CG2 3.57Å; L390-V395 HydrophobicContact CD1-CG2 4.17Å; L390-M398 HydrophobicContact CD1-CE 4.38Å; L390-M398 HydrophobicContact CD1-SD 3.94Å; L390-L428 HydrophobicContact CD1-CD2 3.64Å; L390-L428 HydrophobicContact CD2-CD2 3.99Å; L390-L428 HydrophobicContact CG-CD2 4.01Å; L390-K470 PolarHBondContact O-NZ 3.39Å
391S89.2Confident89.7Confident47 Ų4739.5 Ų39.533%0.32920%0.202SC..  trans-73162.2167.161.30000111.4D393 V394 V395S391-D393 VanDerWaalsContact C-N 3.26Å; S391-D393 PolarHBondContact O-N 2.81Å; S391-V394 PolarHBondContact O-N 2.83Å; S391-V394 VanDerWaalsContact O-N 3.11Å; S391-V394 WeakPolarHBondContact OG-CG2 3.49Å; S391-V395 WeakPolarHBondContact O-CG2 3.29Å; S391-V395 PolarHBondContact O-N 2.95Å; S391-V395 VanDerWaalsContact O-N 3.08Å
392S88.6Confident90.1Very high69 Ų6938.1 Ų38.148%0.48320%0.195SC..Hα-helixtrans-48.2-48.5178.547.10000112.4V394 V395 E396S392-V394 VanDerWaalsContact C-N 3.28Å; S392-V394 PolarHBondContact O-N 3Å; S392-V395 PolarHBondContact O-N 2.99Å; S392-V395 VanDerWaalsContact O-N 3.13Å; S392-E396 WeakPolarHBondContact O-CG 3.39Å; S392-E396 PolarHBondContact O-N 3.43Å
393D91.5Very high90.8Very high69 Ų6940.7 Ų40.737%0.36921%0.212SC..Hα-helixtrans-61.4-36.7-175.2-46.6-16.4000112S391 E397S391-D393 VanDerWaalsContact C-N 3.26Å; S391-D393 PolarHBondContact O-N 2.81Å; D393-E397 PolarHBondContact O-N 3.19Å
394V91.9Very high91.5Very high1 Ų139 Ų391%0.00621%0.207CC..Hα-helixtrans-77-37179.5-170.20000110.8H361 P380 Y384 L390 S391 S392 E397 M398H361-V394 HydrophobicContact CB-CB 4.34Å; H361-V394 HydrophobicContact CB-CG1 4.15Å; H361-V394 HydrophobicContact CB-CG2 3.95Å; P380-V394 HydrophobicContact CB-CG1 4.12Å; Y384-V394 HydrophobicContact CE2-CG2 4.48Å; L390-V394 HydrophobicContact CB-CB 4.28Å; L390-V394 HydrophobicContact CD1-CG1 4.11Å; L390-V394 HydrophobicContact CD2-CB 4.36Å; L390-V394 HydrophobicContact CD2-CG1 3.83Å; L390-V394 HydrophobicContact CG-CG1 4.38Å; S391-V394 PolarHBondContact O-N 2.83Å; S391-V394 VanDerWaalsContact O-N 3.11Å; S391-V394 WeakPolarHBondContact OG-CG2 3.49Å; S392-V394 VanDerWaalsContact C-N 3.28Å; S392-V394 PolarHBondContact O-N 3Å; V394-E397 PolarHBondContact O-N 3.42Å; V394-M398 WeakPolarHBondContact O-CB 3.29Å; V394-M398 PolarHBondContact O-N 3.3Å
395V91.9Very high92Very high40 Ų4037.5 Ų37.524%0.24220%0.201CC..Hα-helixtrans-64.5-45.3175.3175.30000110.5L390 S391 S392 E397 M398 E399L390-V395 HydrophobicContact CB-CG2 3.57Å; L390-V395 HydrophobicContact CD1-CG2 4.17Å; S391-V395 WeakPolarHBondContact O-CG2 3.29Å; S391-V395 PolarHBondContact O-N 2.95Å; S391-V395 VanDerWaalsContact O-N 3.08Å; S392-V395 PolarHBondContact O-N 2.99Å; S392-V395 VanDerWaalsContact O-N 3.13Å; V395-E397 VanDerWaalsContact C-N 3.32Å; V395-E397 PolarHBondContact O-N 2.88Å; V395-M398 PolarHBondContact O-N 3.06Å; V395-E399 HydrophobicContact CG1-CG 4.46Å; V395-E399 WeakPolarHBondContact O-CG 3.4Å; V395-E399 PolarHBondContact O-N 3.18Å
396E93.3Very high92.4Very high119 Ų11937 Ų3756%0.55620%0.196SC*.Hα-helixtrans-57.8-44.5177.7-74.6173.3-159.900111.6S392 E399 K400S392-E396 WeakPolarHBondContact O-CG 3.39Å; S392-E396 PolarHBondContact O-N 3.43Å; E396-E399 PolarHBondContact O-N 2.79Å; E396-K400 WeakPolarHBondContact O-CG 3.45Å; E396-K400 PolarHBondContact O-N 2.97Å; E396-K400 VanDerWaalsContact O-N 3.08Å
397E94.3Very high92.7Very high12 Ų1241.4 Ų41.46%0.05622%0.219CC..Hα-helixtrans-69.4-37.6176.9-168.4175.4154.400112.9G359 T360 H361 C362 D393 V394 V395 E399 K400 Y401 F547G359-E397 VanDerWaalsContact C-OE1 3.3Å; G359-E397 VanDerWaalsContact CA-OE1 3.31Å; G359-E397 WeakPolarHBondContact CA-OE1 3.48Å; T360-E397 PolarHBondContact N-OE1 2.72Å; H361-E397 WeakPolarHBondContact CA-OE2 3.37Å; H361-E397 WeakPolarHBondContact CB-OE2 3.39Å; H361-E397 IonicContact CE1-OE2 2.77Å; H361-E397 IonicContact CG-OE2 3.04Å; H361-E397 VanDerWaalsContact CG-OE2 3.32Å; H361-E397 PolarHBondContact N-OE1 2.73Å; H361-E397 PolarHBondContact N-OE2 3.38Å; H361-E397 IonicContact ND1-OE2 2.83Å; H361-E397 PolarHBondContact ND1-OE2 3.31Å; C362-E397 HydrophobicContact CB-CG 4.31Å; C362-E397 PolarHBondContact N-OE1 3.18Å; D393-E397 PolarHBondContact O-N 3.19Å; V394-E397 PolarHBondContact O-N 3.42Å; V395-E397 VanDerWaalsContact C-N 3.32Å; V395-E397 PolarHBondContact O-N 2.88Å; E397-E399 VanDerWaalsContact C-N 3.31Å; E397-E399 PolarHBondContact O-N 3.11Å; E397-K400 WeakPolarHBondContact O-CB 3.32Å; E397-K400 PolarHBondContact O-N 2.93Å; E397-Y401 HydrophobicContact CG-CD2 4.39Å; E397-Y401 HydrophobicContact CG-CE2 4.34Å; E397-Y401 PolarHBondContact O-N 2.82Å; E397-F547 HydrophobicContact CG-CE2 4.27Å; E397-F547 HydrophobicContact CG-CZ 3.98Å
398M94.4Very high93.1Very high3 Ų340.6 Ų40.62%0.01521%0.214CC..Hα-helixtrans-61.4-40.1173.3-176.1161.4-83.800111.3I378 V387 L390 V394 V395 Y401 K402 L428 L430I378-M398 HydrophobicContact CB-CE 4.21Å; I378-M398 HydrophobicContact CG2-CE 3.65Å; I378-M398 HydrophobicContact CG2-CG 4.1Å; V387-M398 HydrophobicContact CG2-SD 4.11Å; L390-M398 HydrophobicContact CD1-CE 4.38Å; L390-M398 HydrophobicContact CD1-SD 3.94Å; V394-M398 WeakPolarHBondContact O-CB 3.29Å; V394-M398 PolarHBondContact O-N 3.3Å; V395-M398 PolarHBondContact O-N 3.06Å; M398-Y401 PolarHBondContact O-N 3.41Å; M398-K402 WeakPolarHBondContact O-CG 3.33Å; M398-K402 PolarHBondContact O-N 3.31Å; M398-L428 HydrophobicContact CE-CD2 3.82Å; M398-L428 HydrophobicContact CE-CG 4.45Å; M398-L428 HydrophobicContact SD-CD2 4.19Å; M398-L430 HydrophobicContact CG-CD2 4.08Å; M398-L430 HydrophobicContact SD-CD2 3.89Å
399E94Very high93.5Very high68 Ų6840.3 Ų40.332%0.31821%0.213SC..Hα-helixtrans-67.6-31.9174.8-70.9-58.3143.500113.3V395 E396 E397 K402 S403V395-E399 HydrophobicContact CG1-CG 4.46Å; V395-E399 WeakPolarHBondContact O-CG 3.4Å; V395-E399 PolarHBondContact O-N 3.18Å; E396-E399 PolarHBondContact O-N 2.79Å; E397-E399 VanDerWaalsContact C-N 3.31Å; E397-E399 PolarHBondContact O-N 3.11Å; E399-K402 PolarHBondContact O-N 3.06Å; E399-K402 WeakPolarHBondContact OE1-CE 3.31Å; E399-K402 IonicContact OE1-NZ 3.86Å; E399-K402 PolarHBondContact OE1-NZ 3.28Å; E399-S403 WeakPolarHBondContact O-CB 3.47Å; E399-S403 PolarHBondContact O-N 3.15Å; E399-S403 PolarHBondContact O-OG 3.47Å
400K95.7Very high94Very high120 Ų12044.7 Ų44.752%0.52223%0.231SC..Hα-helixtrans-62.3-47.4170-68.8179.2-170.4-178.60111E396 E397 K402 S403 A404 F547E396-K400 WeakPolarHBondContact O-CG 3.45Å; E396-K400 PolarHBondContact O-N 2.97Å; E396-K400 VanDerWaalsContact O-N 3.08Å; E397-K400 WeakPolarHBondContact O-CB 3.32Å; E397-K400 PolarHBondContact O-N 2.93Å; K400-K402 PolarHBondContact O-N 2.88Å; K400-S403 PolarHBondContact O-N 3.28Å; K400-A404 WeakPolarHBondContact O-CB 3.34Å; K400-A404 PolarHBondContact O-N 2.94Å; K400-F547 HydrophobicContact CB-CD1 3.97Å; K400-F547 HydrophobicContact CB-CE1 3.56Å; K400-F547 HydrophobicContact CB-CE2 4.34Å; K400-F547 HydrophobicContact CB-CZ 3.77Å; K400-F547 HydrophobicContact CD-CD2 4.34Å; K400-F547 HydrophobicContact CD-CE2 4.14Å; K400-F547 HydrophobicContact CD-CZ 4.35Å
401Y96.7Very high94.3Very high0 Ų047.6 Ų47.60%025%0.251CS..Hα-helixtrans-61.7-42.4175.3-86.2-62.5000112.3S357 G359 C362 L364 I378 E397 M398 S403 A404 L405 F547S357-Y401 PolarHBondContact OG-OH 2.82Å; G359-Y401 PolarHBondContact N-OH 2.89Å; C362-Y401 HydrophobicContact CB-CD2 3.83Å; C362-Y401 HydrophobicContact CB-CE2 3.78Å; L364-Y401 HydrophobicContact CB-CE1 4.33Å; I378-Y401 HydrophobicContact CG2-CD2 4.4Å; I378-Y401 HydrophobicContact CG2-CG 4.47Å; E397-Y401 HydrophobicContact CG-CD2 4.39Å; E397-Y401 HydrophobicContact CG-CE2 4.34Å; E397-Y401 PolarHBondContact O-N 2.82Å; M398-Y401 PolarHBondContact O-N 3.41Å; Y401-S403 VanDerWaalsContact C-N 3.33Å; Y401-S403 PolarHBondContact O-N 3.34Å; Y401-A404 PolarHBondContact O-N 3.32Å; Y401-L405 WeakPolarHBondContact O-CB 3.48Å; Y401-L405 VanDerWaalsContact O-CG 3.32Å; Y401-L405 WeakPolarHBondContact O-CG 3.27Å; Y401-L405 PolarHBondContact O-N 3.13Å; Y401-F547 AromaticContact CD1-CE1 3.64Å; Y401-F547 HydrophobicContact CD1-CE1 3.64Å; Y401-F547 HydrophobicContact CD1-CZ 4.21Å; Y401-F547 AromaticContact CD2-CE1 3.85Å; Y401-F547 HydrophobicContact CD2-CE1 3.85Å; Y401-F547 AromaticContact CD2-CZ 3.67Å; Y401-F547 HydrophobicContact CD2-CZ 3.67Å; Y401-F547 AromaticContact CE1-CE1 3.79Å; Y401-F547 HydrophobicContact CE1-CE1 3.79Å; Y401-F547 HydrophobicContact CE1-CZ 4.09Å; Y401-F547 HydrophobicContact CE2-CE1 4.01Å; Y401-F547 AromaticContact CE2-CZ 3.56Å; Y401-F547 HydrophobicContact CE2-CZ 3.56Å; Y401-F547 AromaticContact CG-CE1 3.66Å; Y401-F547 HydrophobicContact CG-CE1 3.66Å; Y401-F547 HydrophobicContact CG-CZ 4.01Å; Y401-F547 AromaticContact CZ-CE1 3.98Å; Y401-F547 AromaticContact CZ-CZ 3.78Å
402K95.3Very high94.5Very high6 Ų649 Ų493%0.02625%0.251CS..Hα-helixtrans-58.5-45.2174.9-69.9-174.6-175.8175.10111.7I378 M398 E399 K400 L405 R406 L418 L430 E483I378-K402 HydrophobicContact CD1-CG 3.93Å; M398-K402 WeakPolarHBondContact O-CG 3.33Å; M398-K402 PolarHBondContact O-N 3.31Å; E399-K402 PolarHBondContact O-N 3.06Å; E399-K402 WeakPolarHBondContact OE1-CE 3.31Å; E399-K402 IonicContact OE1-NZ 3.86Å; E399-K402 PolarHBondContact OE1-NZ 3.28Å; K400-K402 PolarHBondContact O-N 2.88Å; K402-L405 PolarHBondContact O-N 2.88Å; K402-R406 VanDerWaalsContact O-CG 3.27Å; K402-R406 WeakPolarHBondContact O-CG 3.41Å; K402-R406 PolarHBondContact O-N 2.83Å; K402-L418 HydrophobicContact CB-CD2 4.35Å; K402-L418 HydrophobicContact CD-CD2 3.81Å; K402-L418 HydrophobicContact CG-CD2 3.59Å; K402-L430 HydrophobicContact CD-CD2 4.42Å; K402-L430 VanDerWaalsContact CE-CD2 3.41Å; K402-L430 HydrophobicContact CG-CD2 4.33Å; K402-E483 IonicContact NZ-OE2 3.98Å; K402-E483 PolarHBondContact NZ-OE2 3.13Å
403S95.2Very high94.8Very high55 Ų5547.2 Ų47.239%0.38524%0.243SC..Hα-helixtrans-64-48179.1-590000111.8E399 K400 Y401 L405 R406 D407E399-S403 WeakPolarHBondContact O-CB 3.47Å; E399-S403 PolarHBondContact O-N 3.15Å; E399-S403 PolarHBondContact O-OG 3.47Å; K400-S403 PolarHBondContact O-N 3.28Å; Y401-S403 VanDerWaalsContact C-N 3.33Å; Y401-S403 PolarHBondContact O-N 3.34Å; S403-L405 PolarHBondContact O-N 2.8Å; S403-R406 WeakPolarHBondContact O-CB 3.35Å; S403-R406 PolarHBondContact O-N 3.35Å; S403-D407 PolarHBondContact O-N 3.33Å; S403-D407 VanDerWaalsContact O-N 3.08Å
404A96.3Very high95.1Very high11 Ų1144.7 Ų44.79%0.09123%0.229CC..Hα-helixtrans-58.6-43.8176.300000112.6K400 Y401 D407 F408 F542 Y545K400-A404 WeakPolarHBondContact O-CB 3.34Å; K400-A404 PolarHBondContact O-N 2.94Å; Y401-A404 PolarHBondContact O-N 3.32Å; A404-D407 PolarHBondContact O-N 3.4Å; A404-F408 WeakPolarHBondContact O-CB 3.33Å; A404-F408 PolarHBondContact O-N 3.34Å; A404-F542 HydrophobicContact CB-CE2 4.2Å; A404-F542 HydrophobicContact CB-CZ 4Å; A404-Y545 VanDerWaalsContact CB-O 3.31Å; A404-Y545 WeakPolarHBondContact CB-O 3.3Å
405L96.5Very high95.2Very high2 Ų246 Ų461%0.0123%0.234CC..Hα-helixtrans-66.3-37.4176.7-73.9172.6000112.5L364 V376 I378 Y401 K402 S403 F408 Y409 V432 F542L364-L405 HydrophobicContact CD1-CD1 3.89Å; L364-L405 HydrophobicContact CD1-CD2 4.42Å; L364-L405 HydrophobicContact CD2-CD2 4.11Å; V376-L405 HydrophobicContact CG2-CD1 3.81Å; V376-L405 HydrophobicContact CG2-CD2 4Å; I378-L405 HydrophobicContact CD1-CD1 3.88Å; I378-L405 HydrophobicContact CG1-CD1 3.97Å; Y401-L405 WeakPolarHBondContact O-CB 3.48Å; Y401-L405 VanDerWaalsContact O-CG 3.32Å; Y401-L405 WeakPolarHBondContact O-CG 3.27Å; Y401-L405 PolarHBondContact O-N 3.13Å; K402-L405 PolarHBondContact O-N 2.88Å; S403-L405 PolarHBondContact O-N 2.8Å; L405-F408 HydrophobicContact CD2-CD1 4.46Å; L405-F408 PolarHBondContact O-N 2.9Å; L405-Y409 HydrophobicContact CB-CD2 4.28Å; L405-Y409 HydrophobicContact CB-CE2 3.92Å; L405-Y409 HydrophobicContact CD2-CE2 4.12Å; L405-Y409 HydrophobicContact CG-CE2 4.5Å; L405-Y409 WeakPolarHBondContact O-CB 3.1Å; L405-Y409 WeakPolarHBondContact O-CD2 3.45Å; L405-Y409 PolarHBondContact O-N 2.92Å; L405-V432 HydrophobicContact CD1-CB 4.3Å; L405-V432 HydrophobicContact CD1-CG1 4.15Å; L405-V432 HydrophobicContact CD1-CG2 4.04Å; L405-F542 HydrophobicContact CD2-CD2 4.19Å; L405-F542 HydrophobicContact CD2-CE2 3.75Å; L405-F542 HydrophobicContact CD2-CZ 4.25Å; L405-F542 HydrophobicContact CG-CE2 4.28Å
406R95.7Very high95.4Very high61 Ų6144.3 Ų44.323%0.2322%0.224CC..Hα-helixtrans-60.5-46.5174.5-76.7170.3-179.3137.51.8111.3K402 S403 K410 C416 E483K402-R406 VanDerWaalsContact O-CG 3.27Å; K402-R406 WeakPolarHBondContact O-CG 3.41Å; K402-R406 PolarHBondContact O-N 2.83Å; S403-R406 WeakPolarHBondContact O-CB 3.35Å; S403-R406 PolarHBondContact O-N 3.35Å; R406-K410 WeakPolarHBondContact O-CB 3.34Å; R406-K410 PolarHBondContact O-N 3.05Å; R406-C416 HydrophobicContact CG-CB 3.89Å; R406-E483 IonicContact CZ-OE1 3.13Å; R406-E483 IonicContact NH2-OE1 2.82Å; R406-E483 PolarHBondContact NH2-OE1 3.07Å
407D96.1Very high95.6Very high93 Ų9338.6 Ų38.650%0.49720%0.198SC..Hα-helixtrans-65.3-42.5177.8-69.4-26.8000111.4S403 A404 K410 S411 Y545S403-D407 PolarHBondContact O-N 3.33Å; S403-D407 VanDerWaalsContact O-N 3.08Å; A404-D407 PolarHBondContact O-N 3.4Å; D407-K410 PolarHBondContact O-N 2.69Å; D407-S411 PolarHBondContact O-N 3.26Å; D407-Y545 HydrophobicContact CB-CD1 3.93Å; D407-Y545 HydrophobicContact CB-CE1 4.07Å
408F96.6Very high95.7Very high1 Ų138 Ų380%0.00420%0.195CC..Hα-helixtrans-57.3-53.5174.6172.2-119.6000112.1A404 L405 K410 S411 K412 L538 D541 F542 Y545A404-F408 WeakPolarHBondContact O-CB 3.33Å; A404-F408 PolarHBondContact O-N 3.34Å; L405-F408 HydrophobicContact CD2-CD1 4.46Å; L405-F408 PolarHBondContact O-N 2.9Å; F408-K410 PolarHBondContact O-N 3.33Å; F408-S411 WeakPolarHBondContact O-CB 3.48Å; F408-S411 PolarHBondContact O-N 2.97Å; F408-S411 PolarHBondContact O-OG 2.79Å; F408-K412 HydrophobicContact CE2-CG 4.25Å; F408-K412 PolarHBondContact O-N 3.1Å; F408-L538 HydrophobicContact CE1-CD1 3.91Å; F408-L538 HydrophobicContact CZ-CD1 4.02Å; F408-D541 HydrophobicContact CE2-CB 3.95Å; F408-D541 WeakPolarHBondContact CE2-O 3.42Å; F408-D541 HydrophobicContact CZ-CB 4.03Å; F408-F542 HydrophobicContact CB-CD2 3.99Å; F408-F542 HydrophobicContact CB-CE2 4.2Å; F408-F542 HydrophobicContact CD1-CD2 4.01Å; F408-F542 HydrophobicContact CD2-CD2 4.31Å; F408-F542 AromaticContact CG-CD2 3.84Å; F408-F542 HydrophobicContact CG-CD2 3.84Å; F408-Y545 HydrophobicContact CB-CD1 4.33Å; F408-Y545 HydrophobicContact CB-CD2 3.98Å; F408-Y545 HydrophobicContact CB-CE2 4.41Å; F408-Y545 HydrophobicContact CB-CG 3.94Å; F408-Y545 AromaticContact CD2-CD2 3.72Å; F408-Y545 HydrophobicContact CD2-CD2 3.72Å; F408-Y545 AromaticContact CD2-CE2 3.84Å; F408-Y545 HydrophobicContact CD2-CE2 3.84Å; F408-Y545 HydrophobicContact CG-CD2 4.3Å
409Y96.4Very high95.8Very high0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-67.6-36.1-179.2-65.5-46000112.7R374 V376 L405 S411 K412 G413 E414 C416 V432 P434R374-Y409 HydrophobicContact CB-CE1 3.83Å; R374-Y409 PolarHBondContact O-OH 3.27Å; V376-Y409 VanDerWaalsContact CG2-OH 3.29Å; V376-Y409 WeakPolarHBondContact CG2-OH 3.46Å; L405-Y409 HydrophobicContact CB-CD2 4.28Å; L405-Y409 HydrophobicContact CB-CE2 3.92Å; L405-Y409 HydrophobicContact CD2-CE2 4.12Å; L405-Y409 HydrophobicContact CG-CE2 4.5Å; L405-Y409 WeakPolarHBondContact O-CB 3.1Å; L405-Y409 WeakPolarHBondContact O-CD2 3.45Å; L405-Y409 PolarHBondContact O-N 2.92Å; Y409-S411 VanDerWaalsContact C-N 3.29Å; Y409-S411 PolarHBondContact O-N 3.08Å; Y409-K412 CarbonylContact O-C 3.55Å; Y409-K412 PolarHBondContact O-N 3.49Å; Y409-G413 PolarHBondContact O-N 3.04Å; Y409-G413 VanDerWaalsContact O-N 3.12Å; Y409-E414 CarbonylContact C-O 3.57Å; Y409-E414 PolarHBondContact O-N 2.73Å; Y409-C416 HydrophobicContact CD2-CB 3.82Å; Y409-V432 HydrophobicContact CD2-CG1 4.48Å; Y409-V432 HydrophobicContact CE2-CG1 3.6Å; Y409-P434 HydrophobicContact CD1-CB 3.6Å; Y409-P434 HydrophobicContact CD1-CG 4.01Å; Y409-P434 HydrophobicContact CD2-CB 4.43Å; Y409-P434 HydrophobicContact CE1-CB 3.7Å; Y409-P434 HydrophobicContact CE1-CG 3.57Å; Y409-P434 HydrophobicContact CG-CB 3.99Å
410K94.9Very high95.8Very high159 Ų15935 Ų3569%0.69118%0.181SC*.Hα-helixtrans-59.3-40.9173.2-173.7178.2-178.6-179.60111.5R406 D407 F408 K412 G413R406-K410 WeakPolarHBondContact O-CB 3.34Å; R406-K410 PolarHBondContact O-N 3.05Å; D407-K410 PolarHBondContact O-N 2.69Å; F408-K410 PolarHBondContact O-N 3.33Å; K410-K412 PolarHBondContact O-N 3.5Å; K410-G413 PolarHBondContact O-N 3.04Å; K410-G413 VanDerWaalsContact O-N 3.14Å
411S95.9Very high95.7Very high63 Ų6331 Ų3144%0.44116%0.162SC..Hα-helixtrans-64.7-25.7176.581.70000113.6D407 F408 Y409 Y545D407-S411 PolarHBondContact O-N 3.26Å; F408-S411 WeakPolarHBondContact O-CB 3.48Å; F408-S411 PolarHBondContact O-N 2.97Å; F408-S411 PolarHBondContact O-OG 2.79Å; Y409-S411 VanDerWaalsContact C-N 3.29Å; Y409-S411 PolarHBondContact O-N 3.08Å; S411-Y545 WeakPolarHBondContact CB-OH 3.39Å; S411-Y545 PolarHBondContact OG-OH 3.39Å; S411-Y545 VanDerWaalsContact OG-OH 3.09Å
412K94.3Very high95.5Very high78 Ų7831.2 Ų31.234%0.33916%0.163SC..THydrogen-bonded Turntrans-93.92.9178-58.7-71178.6156.70113F408 Y409 K410 D541F408-K412 HydrophobicContact CE2-CG 4.25Å; F408-K412 PolarHBondContact O-N 3.1Å; Y409-K412 CarbonylContact O-C 3.55Å; Y409-K412 PolarHBondContact O-N 3.49Å; K410-K412 PolarHBondContact O-N 3.5Å; K412-D541 IonicContact NZ-OD1 2.79Å; K412-D541 PolarHBondContact NZ-OD1 2.99Å; K412-D541 IonicContact NZ-OD2 2.72Å; K412-D541 PolarHBondContact NZ-OD2 3.49Å
413G95Very high95.2Very high30 Ų3032.3 Ų32.331%0.30917%0.168SC..THydrogen-bonded Turntrans73.235.4-179.400000113.8Y409 K410 L437Y409-G413 PolarHBondContact O-N 3.04Å; Y409-G413 VanDerWaalsContact O-N 3.12Å; K410-G413 PolarHBondContact O-N 3.04Å; K410-G413 VanDerWaalsContact O-N 3.14Å; G413-L437 WeakPolarHBondContact O-CB 3.15Å; G413-L437 VanDerWaalsContact O-CG 3.23Å; G413-L437 WeakPolarHBondContact O-CG 3.42Å; G413-L437 PolarHBondContact O-N 3Å
414E95.8Very high94.6Very high16 Ų1636.3 Ų36.38%0.07517%0.174CC..EExtended strand (participates in β ladder)trans-125.7149.6-179.1-58.5-178.1135.600111.6R374 Y409 P434 V435R374-E414 VanDerWaalsContact CZ-CD 3.48Å; R374-E414 IonicContact CZ-OE1 2.61Å; R374-E414 IonicContact CZ-OE2 3.68Å; R374-E414 IonicContact NE-OE1 3.79Å; R374-E414 IonicContact NE-OE2 3.64Å; R374-E414 PolarHBondContact NE-OE2 3.25Å; R374-E414 IonicContact NH2-OE1 3.34Å; R374-E414 PolarHBondContact NH2-OE1 2.88Å; R374-E414 IonicContact NH2-OE2 3.06Å; R374-E414 PolarHBondContact NH2-OE2 3.41Å; R374-E414 VanDerWaalsContact NH2-OE2 3.07Å; Y409-E414 CarbonylContact C-O 3.57Å; Y409-E414 PolarHBondContact O-N 2.73Å; E414-P434 HydrophobicContact CB-CB 3.91Å; E414-P434 HydrophobicContact CG-CB 4.36Å; E414-P434 VanDerWaalsContact OE2-CB 3.26Å; E414-P434 WeakPolarHBondContact OE2-CB 3.44Å; E414-V435 CarbonylContact C-O 3.5Å; E414-V435 WeakPolarHBondContact CA-O 3.06Å
415R94.4Very high93.9Very high28 Ų2836.3 Ų36.311%0.10617%0.174CC..EExtended strand (participates in β ladder)trans-86.3140.2171.2-61-172.4-176.679.14110.1I417 P434 V435 P436 L437 C440 D485R415-I417 HydrophobicContact CB-CD1 4.45Å; R415-P434 CarbonylContact O-C 3.56Å; R415-P434 VanDerWaalsContact O-CA 3.24Å; R415-P434 WeakPolarHBondContact O-CA 3.17Å; R415-V435 PolarHBondContact N-O 2.85Å; R415-V435 PolarHBondContact O-N 2.81Å; R415-P436 PolarHBondContact NH1-O 2.9Å; R415-L437 HydrophobicContact CG-CD2 3.63Å; R415-L437 PolarHBondContact NH1-O 3.49Å; R415-L437 PolarHBondContact NH2-O 3.44Å; R415-C440 PolarHBondContact NH1-O 2.89Å; R415-C440 PolarHBondContact NH2-O 3.06Å; R415-C440 VanDerWaalsContact NH2-O 3.09Å; R415-D485 HydrophobicContact CB-CB 4.05Å; R415-D485 WeakPolarHBondContact CD-OD2 3.5Å; R415-D485 HydrophobicContact CG-CB 4.48Å; R415-D485 VanDerWaalsContact CG-OD2 3.32Å; R415-D485 WeakPolarHBondContact CG-OD2 3.22Å; R415-D485 IonicContact NE-OD2 3.31Å
416C96.1Very high93Very high5 Ų541.9 Ų41.93%0.03420%0.199CC..EExtended strand (participates in β ladder)trans-94.3105.8177.9-173.20000109.6R406 Y409 V432R406-C416 HydrophobicContact CG-CB 3.89Å; Y409-C416 HydrophobicContact CD2-CB 3.82Å; C416-V432 WeakPolarHBondContact SG-CG1 3.46Å
417I97.2Very high92.7Very high0 Ų039 Ų390%019%0.189CC..EExtended strand (participates in β ladder)trans-105.3125175.3-51.1-57.2000108.8R415 V432 V433 V435 I445 V482 L484 L507R415-I417 HydrophobicContact CB-CD1 4.45Å; I417-V432 WeakPolarHBondContact O-CA 3.45Å; I417-V433 PolarHBondContact N-O 3.02Å; I417-V433 VanDerWaalsContact N-O 3.11Å; I417-V433 PolarHBondContact O-N 2.91Å; I417-V435 HydrophobicContact CG1-CG2 3.9Å; I417-I445 HydrophobicContact CD1-CD1 3.93Å; I417-I445 HydrophobicContact CD1-CG2 4.38Å; I417-I445 HydrophobicContact CG1-CD1 4.16Å; I417-V482 HydrophobicContact CG2-CG2 3.93Å; I417-L484 HydrophobicContact CD1-CD2 4.1Å; I417-L484 HydrophobicContact CG2-CD2 4.41Å; I417-L507 HydrophobicContact CG2-CD1 4.48Å; I417-L507 HydrophobicContact CG2-CD2 4.22Å
418L96.8Very high92.5Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-112.6139.9179.8-51.188.7000109.8K402 L430 Q431 V432 V482 E483K402-L418 HydrophobicContact CB-CD2 4.35Å; K402-L418 HydrophobicContact CD-CD2 3.81Å; K402-L418 HydrophobicContact CG-CD2 3.59Å; L418-L430 HydrophobicContact CB-CD1 4.22Å; L418-L430 HydrophobicContact CD2-CD2 4.08Å; L418-L430 HydrophobicContact CD2-CG 4.39Å; L418-Q431 CarbonylContact C-O 3.51Å; L418-Q431 VanDerWaalsContact CA-O 3.24Å; L418-Q431 WeakPolarHBondContact CA-O 3.46Å; L418-V432 HydrophobicContact CD2-CG2 3.84Å; L418-V432 HydrophobicContact CG-CG1 4.17Å; L418-V432 HydrophobicContact CG-CG2 4.07Å; L418-V482 CarbonylContact O-C 3.58Å; L418-V482 VanDerWaalsContact O-CA 3.26Å; L418-V482 WeakPolarHBondContact O-CA 3.32Å; L418-V482 WeakPolarHBondContact O-CG2 3.49Å; L418-E483 HydrophobicContact CB-CB 4.16Å; L418-E483 HydrophobicContact CD1-CB 4.23Å; L418-E483 HydrophobicContact CD1-CG 4.49Å; L418-E483 PolarHBondContact N-O 2.72Å; L418-E483 PolarHBondContact O-N 3.28Å
419F96.8Very high92.3Very high6 Ų635.3 Ų35.33%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-142.7148.9169.467.7-91.6000112.2Q431 V433 F480 Y481 V482 R504 L507F419-Q431 HydrophobicContact CD1-CB 4.12Å; F419-Q431 HydrophobicContact CD2-CB 4.17Å; F419-Q431 HydrophobicContact CD2-CG 4.43Å; F419-Q431 HydrophobicContact CE1-CB 3.66Å; F419-Q431 HydrophobicContact CE1-CG 4.49Å; F419-Q431 HydrophobicContact CE2-CB 3.72Å; F419-Q431 HydrophobicContact CE2-CG 3.74Å; F419-Q431 HydrophobicContact CG-CB 4.36Å; F419-Q431 HydrophobicContact CZ-CB 3.44Å; F419-Q431 VanDerWaalsContact CZ-CB 3.44Å; F419-Q431 HydrophobicContact CZ-CG 3.77Å; F419-Q431 PolarHBondContact N-O 2.82Å; F419-Q431 PolarHBondContact O-N 3.23Å; F419-V433 HydrophobicContact CE1-CG2 3.8Å; F419-F480 HydrophobicContact CB-CE2 4.22Å; F419-F480 HydrophobicContact CB-CZ 4.06Å; F419-F480 AromaticContact CD2-CE2 3.96Å; F419-F480 HydrophobicContact CD2-CE2 3.96Å; F419-F480 HydrophobicContact CD2-CZ 4.43Å; F419-F480 HydrophobicContact CG-CE2 4.4Å; F419-F480 HydrophobicContact CG-CZ 4.45Å; F419-Y481 CarbonylContact C-O 3.57Å; F419-Y481 WeakPolarHBondContact CA-O 3.3Å; F419-Y481 VanDerWaalsContact CB-O 3.32Å; F419-Y481 WeakPolarHBondContact CB-O 3.46Å; F419-V482 HydrophobicContact CB-CB 4.17Å; F419-V482 HydrophobicContact CB-CG2 4.33Å; F419-R504 HydrophobicContact CZ-CG 3.92Å; F419-L507 HydrophobicContact CD1-CD1 4Å; F419-L507 HydrophobicContact CE1-CD1 3.8Å
420E95.1Very high92.3Very high2 Ų235.4 Ų35.41%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-123.9132.6175.1-172.1-166.5170.200109.1S386 V387 L428 L430 Y479 F480 Y481S386-E420 WeakPolarHBondContact CA-OE1 3.33Å; S386-E420 VanDerWaalsContact CB-OE1 3.27Å; S386-E420 WeakPolarHBondContact CB-OE1 3.46Å; V387-E420 WeakPolarHBondContact CB-OE2 3.15Å; V387-E420 WeakPolarHBondContact CG2-OE2 3.42Å; V387-E420 PolarHBondContact N-OE1 3.02Å; E420-L428 HydrophobicContact CG-CD1 3.82Å; E420-L428 VanDerWaalsContact OE1-CD1 3.3Å; E420-L428 WeakPolarHBondContact OE1-CD1 3.14Å; E420-L430 HydrophobicContact CB-CD1 4.14Å; E420-Y479 HydrophobicContact CG-CE2 4.39Å; E420-Y479 PolarHBondContact OE1-OH 2.99Å; E420-Y479 WeakPolarHBondContact OE2-CE2 3.43Å; E420-Y479 PolarHBondContact OE2-OH 3.46Å; E420-F480 WeakPolarHBondContact O-CD2 3.48Å; E420-Y481 HydrophobicContact CB-CD1 4.24Å; E420-Y481 PolarHBondContact N-O 3.34Å; E420-Y481 PolarHBondContact O-N 2.94Å
421R93.9Very high92.4Very high35 Ų3528.6 Ų28.613%0.13214%0.14CC..EExtended strand (participates in β ladder)trans-112.594.8169.6-173.1-16873.1-118.6-6.8109.8Y423 F480 F498 L500R421-Y423 PolarHBondContact NE-O 2.92Å; R421-Y423 PolarHBondContact O-N 3.31Å; R421-F480 HydrophobicContact CB-CD2 4.22Å; R421-F480 HydrophobicContact CG-CD2 4.48Å; R421-F498 HydrophobicContact CG-CD1 4.2Å; R421-F498 HydrophobicContact CG-CE1 3.82Å; R421-L500 VanDerWaalsContact CD-O 3.29Å; R421-L500 WeakPolarHBondContact CD-O 3.39Å; R421-L500 PolarHBondContact NH1-O 2.79Å
422N92.1Very high92.5Very high4 Ų425.6 Ų25.62%0.02112%0.119CC..EExtended strand (participates in β ladder)trans-83.866.2167.8-174.519.6000110.6S386 T477 P478 Y479S386-N422 WeakPolarHBondContact CB-ND2 3.29Å; N422-T477 PolarHBondContact ND2-O 3.08Å; N422-P478 CarbonylContact O-C 3.53Å; N422-P478 WeakPolarHBondContact O-CA 3.15Å; N422-P478 WeakPolarHBondContact O-CB 3.35Å; N422-Y479 CarbonylContact C-O 3.33Å; N422-Y479 WeakPolarHBondContact CA-O 3.22Å; N422-Y479 HydrophobicContact CB-CD1 3.82Å; N422-Y479 HydrophobicContact CB-CD2 4.24Å; N422-Y479 HydrophobicContact CB-CE1 3.67Å; N422-Y479 HydrophobicContact CB-CE2 4.1Å; N422-Y479 HydrophobicContact CB-CG 4.09Å; N422-Y479 PolarHBondContact N-O 3.37Å; N422-Y479 VanDerWaalsContact ND2-CE1 3.35Å; N422-Y479 WeakPolarHBondContact ND2-CE1 3.49Å; N422-Y479 PolarHBondContact O-N 3.18Å
423Y88.5Confident92.6Very high30 Ų3021.9 Ų21.912%0.11810%0.102CC..SBendtrans-151.4119.1173.3177.1-107.4000110.1R421 S425 P478 I494 F498 L500R421-Y423 PolarHBondContact NE-O 2.92Å; R421-Y423 PolarHBondContact O-N 3.31Å; Y423-S425 PolarHBondContact O-N 3.37Å; Y423-P478 HydrophobicContact CD2-CB 3.96Å; Y423-I494 VanDerWaalsContact CB-CD1 3.46Å; Y423-I494 HydrophobicContact CD2-CD1 4.48Å; Y423-I494 HydrophobicContact CD2-CG2 3.67Å; Y423-I494 HydrophobicContact CE2-CG2 3.87Å; Y423-I494 HydrophobicContact CG-CD1 4.02Å; Y423-I494 HydrophobicContact CG-CG2 4.12Å; Y423-F498 HydrophobicContact CD1-CB 3.77Å; Y423-F498 HydrophobicContact CD1-CD1 4.25Å; Y423-F498 HydrophobicContact CD1-CG 4.46Å; Y423-F498 HydrophobicContact CE1-CB 3.82Å; Y423-F498 WeakPolarHBondContact CE1-O 3.35Å; Y423-F498 HydrophobicContact CG-CB 4.28Å; Y423-L500 HydrophobicContact CD1-CD2 3.84Å; Y423-L500 HydrophobicContact CE1-CD2 4.13Å
424R83Confident92.7Very high139 Ų13920.5 Ų20.553%0.5259%0.088SC..SBendtrans52.223.3-171.3-53.4-175.4-176.1177.12.6113.3L500R424-L500 HydrophobicContact CB-CD2 4.32Å
425S80.8Confident92.7Very high11 Ų1119.7 Ų19.78%0.0778%0.084CC..  trans-86.9141.4170.1-154.70000109.4Q385 Y423 H427Q385-S425 WeakPolarHBondContact CG-O 3.4Å; Q385-S425 PolarHBondContact NE2-O 3.06Å; Y423-S425 PolarHBondContact O-N 3.37Å; S425-H427 PolarHBondContact OG-O 3.38Å
426Q78.9Confident92.7Very high118 Ų11819.9 Ų19.955%0.5519%0.089SC*.SBendtrans-98.8-27175.1-67.3-178.2-1.300112H383H383-Q426 PolarHBondContact CE1-O 3.44Å; H383-Q426 PolarHBondContact NE2-O 2.95Å; H383-Q426 VanDerWaalsContact NE2-O 3.12Å
427H87.5Confident92.5Very high1 Ų123.8 Ų23.81%0.00511%0.109CC..SBendtrans-131.7145177.4-157.3110.1000108C341 F343 C344 P380 G382 H383 Y384 S425 Q429C341-H427 PolarHBondContact SG-ND1 3.12Å; C341-H427 VanDerWaalsContact SG-ND1 3.42Å; F343-H427 HydrophobicContact CB-CB 3.95Å; F343-H427 HydrophobicContact CD2-CB 4.07Å; F343-H427 HydrophobicContact CG-CB 4.44Å; F343-H427 PolarHBondContact O-CE1 3.09Å; C344-H427 PolarHBondContact SG-CE1 2.84Å; C344-H427 PolarHBondContact SG-ND1 3.43Å; P380-H427 PolarHBondContact O-CE1 3.48Å; P380-H427 PolarHBondContact O-NE2 2.79Å; G382-H427 PolarHBondContact O-CE1 2.94Å; G382-H427 VanDerWaalsContact O-CE1 3.23Å; G382-H427 PolarHBondContact O-NE2 3.39Å; H383-H427 AromaticContact ND1-ND1 3.22Å; H383-H427 PolarHBondContact ND1-ND1 3.15Å; Y384-H427 CarbonylContact O-C 3.56Å; Y384-H427 WeakPolarHBondContact O-CA 3.33Å; S425-H427 PolarHBondContact OG-O 3.38Å; H427-Q429 PolarHBondContact O-N 2.99Å
428L92.2Very high92.3Very high1 Ų130.4 Ų30.41%0.00514%0.144CC..  trans-62.7117.1176.2166.257.1000108.6L379 P380 Y384 V387 L390 M398 E420L379-L428 WeakPolarHBondContact CD2-O 3.36Å; P380-L428 WeakPolarHBondContact CD-O 3.24Å; P380-L428 HydrophobicContact CG-CB 3.98Å; P380-L428 HydrophobicContact CG-CD2 4.12Å; P380-L428 HydrophobicContact CG-CG 4.37Å; Y384-L428 WeakPolarHBondContact O-CB 3.4Å; Y384-L428 PolarHBondContact O-N 3.46Å; V387-L428 HydrophobicContact CG2-CD1 3.73Å; V387-L428 HydrophobicContact CG2-CD2 3.82Å; V387-L428 HydrophobicContact CG2-CG 4.43Å; L390-L428 HydrophobicContact CD1-CD2 3.64Å; L390-L428 HydrophobicContact CD2-CD2 3.99Å; L390-L428 HydrophobicContact CG-CD2 4.01Å; M398-L428 HydrophobicContact CE-CD2 3.82Å; M398-L428 HydrophobicContact CE-CG 4.45Å; M398-L428 HydrophobicContact SD-CD2 4.19Å; E420-L428 HydrophobicContact CG-CD1 3.82Å; E420-L428 VanDerWaalsContact OE1-CD1 3.3Å; E420-L428 WeakPolarHBondContact OE1-CD1 3.14Å
429Q93Very high91.9Very high16 Ų1637 Ų378%0.07517%0.169CC..  trans-121.296173.341.8153.726.200108.7L379 H427 Q431L379-Q429 HydrophobicContact CD2-CB 3.98Å; H427-Q429 PolarHBondContact O-N 2.99Å; Q429-Q431 PolarHBondContact O-N 3.11Å; Q429-Q431 VanDerWaalsContact OE1-NE2 3.11Å
430L96.3Very high91.5Very high1 Ų137.2 Ų37.21%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-83.4103.7169.7-177.465.7000107.6L377 I378 M398 K402 L418 E420L377-L430 WeakPolarHBondContact CA-O 3.25Å; I378-L430 HydrophobicContact CB-CB 4.36Å; I378-L430 HydrophobicContact CB-CD2 4.48Å; I378-L430 HydrophobicContact CD1-CD2 4.03Å; I378-L430 PolarHBondContact N-O 2.76Å; I378-L430 PolarHBondContact O-N 2.8Å; M398-L430 HydrophobicContact CG-CD2 4.08Å; M398-L430 HydrophobicContact SD-CD2 3.89Å; K402-L430 HydrophobicContact CD-CD2 4.42Å; K402-L430 VanDerWaalsContact CE-CD2 3.41Å; K402-L430 HydrophobicContact CG-CD2 4.33Å; L418-L430 HydrophobicContact CB-CD1 4.22Å; L418-L430 HydrophobicContact CD2-CD2 4.08Å; L418-L430 HydrophobicContact CD2-CG 4.39Å; E420-L430 HydrophobicContact CB-CD1 4.14Å
431Q97.1Very high91.4Very high17 Ų1740.3 Ų40.38%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-82.9135.4-177.4-60-111.6-12.700108.6H375 L377 L418 F419 Q429H375-Q431 PolarHBondContact CE1-OE1 2.92Å; H375-Q431 PolarHBondContact NE2-OE1 3Å; L377-Q431 HydrophobicContact CD2-CB 4.14Å; L377-Q431 HydrophobicContact CD2-CG 3.63Å; L377-Q431 VanDerWaalsContact CD2-NE2 3.26Å; L418-Q431 CarbonylContact C-O 3.51Å; L418-Q431 VanDerWaalsContact CA-O 3.24Å; L418-Q431 WeakPolarHBondContact CA-O 3.46Å; F419-Q431 HydrophobicContact CD1-CB 4.12Å; F419-Q431 HydrophobicContact CD2-CB 4.17Å; F419-Q431 HydrophobicContact CD2-CG 4.43Å; F419-Q431 HydrophobicContact CE1-CB 3.66Å; F419-Q431 HydrophobicContact CE1-CG 4.49Å; F419-Q431 HydrophobicContact CE2-CB 3.72Å; F419-Q431 HydrophobicContact CE2-CG 3.74Å; F419-Q431 HydrophobicContact CG-CB 4.36Å; F419-Q431 HydrophobicContact CZ-CB 3.44Å; F419-Q431 VanDerWaalsContact CZ-CB 3.44Å; F419-Q431 HydrophobicContact CZ-CG 3.77Å; F419-Q431 PolarHBondContact N-O 2.82Å; F419-Q431 PolarHBondContact O-N 3.23Å; Q429-Q431 PolarHBondContact O-N 3.11Å; Q429-Q431 VanDerWaalsContact OE1-NE2 3.11Å
432V97.5Very high91.4Very high0 Ų039.8 Ų39.80%019%0.191CC..EExtended strand (participates in β ladder)trans-125.7106.1-178.7-171.70000108.9H375 V376 I378 L405 Y409 C416 I417 L418H375-V432 PolarHBondContact CD2-O 2.79Å; H375-V432 VanDerWaalsContact CD2-O 3.24Å; V376-V432 HydrophobicContact CG2-CB 3.79Å; V376-V432 HydrophobicContact CG2-CG1 4.43Å; V376-V432 HydrophobicContact CG2-CG2 4.38Å; V376-V432 PolarHBondContact N-O 3.04Å; V376-V432 VanDerWaalsContact N-O 3.1Å; V376-V432 PolarHBondContact O-N 2.95Å; I378-V432 HydrophobicContact CD1-CG2 3.97Å; I378-V432 HydrophobicContact CG1-CG2 4.04Å; L405-V432 HydrophobicContact CD1-CB 4.3Å; L405-V432 HydrophobicContact CD1-CG1 4.15Å; L405-V432 HydrophobicContact CD1-CG2 4.04Å; Y409-V432 HydrophobicContact CD2-CG1 4.48Å; Y409-V432 HydrophobicContact CE2-CG1 3.6Å; C416-V432 WeakPolarHBondContact SG-CG1 3.46Å; I417-V432 WeakPolarHBondContact O-CA 3.45Å; L418-V432 HydrophobicContact CD2-CG2 3.84Å; L418-V432 HydrophobicContact CG-CG1 4.17Å; L418-V432 HydrophobicContact CG-CG2 4.07Å
433V97.1Very high91.4Very high0 Ų044.7 Ų44.70%021%0.214CC..EExtended strand (participates in β ladder)trans-108.1117.3-175.4-177.30000109.2L371 H375 I417 F419 L507 L513L371-V433 HydrophobicContact CB-CG1 4.3Å; L371-V433 HydrophobicContact CD1-CG1 4.21Å; L371-V433 HydrophobicContact CD1-CG2 4.13Å; H375-V433 VanDerWaalsContact NE2-CG2 3.32Å; H375-V433 WeakPolarHBondContact NE2-CG2 3.49Å; I417-V433 PolarHBondContact N-O 3.02Å; I417-V433 VanDerWaalsContact N-O 3.11Å; I417-V433 PolarHBondContact O-N 2.91Å; F419-V433 HydrophobicContact CE1-CG2 3.8Å; V433-L507 HydrophobicContact CB-CD1 3.73Å; V433-L507 HydrophobicContact CG1-CD1 3.99Å; V433-L507 HydrophobicContact CG2-CD1 3.71Å; V433-L513 HydrophobicContact CG1-CD1 4.29Å
434P96.1Very high91.6Very high0 Ų046.4 Ų46.40%023%0.225CC..EExtended strand (participates in β ladder)trans-75.5134.5170.723.9-26.3000111.3T372 R374 Y409 E414 R415T372-P434 WeakPolarHBondContact CG2-O 3.44Å; T372-P434 VanDerWaalsContact OG1-CD 3.31Å; T372-P434 WeakPolarHBondContact OG1-CD 3.45Å; T372-P434 VanDerWaalsContact OG1-CG 3.31Å; T372-P434 WeakPolarHBondContact OG1-CG 3.06Å; R374-P434 HydrophobicContact CB-CG 3.83Å; Y409-P434 HydrophobicContact CD1-CB 3.6Å; Y409-P434 HydrophobicContact CD1-CG 4.01Å; Y409-P434 HydrophobicContact CD2-CB 4.43Å; Y409-P434 HydrophobicContact CE1-CB 3.7Å; Y409-P434 HydrophobicContact CE1-CG 3.57Å; Y409-P434 HydrophobicContact CG-CB 3.99Å; E414-P434 HydrophobicContact CB-CB 3.91Å; E414-P434 HydrophobicContact CG-CB 4.36Å; E414-P434 VanDerWaalsContact OE2-CB 3.26Å; E414-P434 WeakPolarHBondContact OE2-CB 3.44Å; R415-P434 CarbonylContact O-C 3.56Å; R415-P434 VanDerWaalsContact O-CA 3.24Å; R415-P434 WeakPolarHBondContact O-CA 3.17Å
435V95.9Very high92.2Very high0 Ų039.8 Ų39.80%020%0.2CC..EExtended strand (participates in β ladder)trans-119.3120.9176.4-179.10000109.3E414 R415 I417 L437 I445 L507 V512 L513E414-V435 CarbonylContact C-O 3.5Å; E414-V435 WeakPolarHBondContact CA-O 3.06Å; R415-V435 PolarHBondContact N-O 2.85Å; R415-V435 PolarHBondContact O-N 2.81Å; I417-V435 HydrophobicContact CG1-CG2 3.9Å; V435-L437 PolarHBondContact O-N 3.43Å; V435-I445 HydrophobicContact CB-CD1 4.37Å; V435-I445 HydrophobicContact CG1-CD1 4.15Å; V435-I445 HydrophobicContact CG2-CD1 4.48Å; V435-L507 HydrophobicContact CG2-CD2 4.35Å; V435-V512 HydrophobicContact CG1-CG1 3.9Å; V435-V512 HydrophobicContact CG2-CG1 4.1Å; V435-L513 HydrophobicContact CG1-CD2 4.17Å; V435-L513 HydrophobicContact CG2-CD2 4.41Å
436P94.8Very high92.9Very high31 Ų3140 Ų4020%0.20120%0.2CC..EExtended strand (participates in β ladder)trans-57.4138.7-177.2-26.234.7000113.8R415 N438 R439R415-P436 PolarHBondContact NH1-O 2.9Å; P436-N438 VanDerWaalsContact CB-OD1 3.24Å; P436-N438 WeakPolarHBondContact CB-OD1 3.38Å; P436-N438 PolarHBondContact O-N 3.22Å; P436-R439 HydrophobicContact CB-CG 3.99Å; P436-R439 HydrophobicContact CG-CG 4.23Å; P436-R439 PolarHBondContact O-N 3.27Å; P436-R439 VanDerWaalsContact O-N 3.13Å
437L92.9Very high93.6Very high87 Ų8739.7 Ų39.746%0.45520%0.198SC..THydrogen-bonded Turntrans-57.4-28.8-175.6-78.2170.5000113.8G413 R415 V435G413-L437 WeakPolarHBondContact O-CB 3.15Å; G413-L437 VanDerWaalsContact O-CG 3.23Å; G413-L437 WeakPolarHBondContact O-CG 3.42Å; G413-L437 PolarHBondContact O-N 3Å; R415-L437 HydrophobicContact CG-CD2 3.63Å; R415-L437 PolarHBondContact NH1-O 3.49Å; R415-L437 PolarHBondContact NH2-O 3.44Å; V435-L437 PolarHBondContact O-N 3.43Å
438N91.5Very high94Very high140 Ų14040.2 Ų40.275%0.74920%0.203SC*.THydrogen-bonded Turntrans-87-4.9-175.766.4-14.4000114.9P436P436-N438 VanDerWaalsContact CB-OD1 3.24Å; P436-N438 WeakPolarHBondContact CB-OD1 3.38Å; P436-N438 PolarHBondContact O-N 3.22Å
439R88.4Confident94.1Very high138 Ų13840.2 Ų40.252%0.52120%0.203SC..THydrogen-bonded Turntrans-86.3-46-176.4-74.1-64.4-169.4105.91.3113.3P436 L513P436-R439 HydrophobicContact CB-CG 3.99Å; P436-R439 HydrophobicContact CG-CG 4.23Å; P436-R439 PolarHBondContact O-N 3.27Å; P436-R439 VanDerWaalsContact O-N 3.13Å; R439-L513 PolarHBondContact NH1-O 3Å
440C89.7Confident94.2Very high11 Ų1142.2 Ų42.27%0.07421%0.213CC..  trans-156.6169.7-17550.20000109R415 D444R415-C440 PolarHBondContact NH1-O 2.89Å; R415-C440 PolarHBondContact NH2-O 3.06Å; R415-C440 VanDerWaalsContact NH2-O 3.09Å; C440-D444 HydrophobicContact CB-CB 3.9Å
441T93.1Very high94.1Very high67 Ų6745 Ų4541%0.41123%0.23SC..  trans-94.3169171670000110.9E443 D444 I445T441-E443 PolarHBondContact O-N 3.14Å; T441-D444 WeakPolarHBondContact CB-OD2 3.47Å; T441-D444 PolarHBondContact N-OD2 3.48Å; T441-D444 PolarHBondContact O-N 3.44Å; T441-D444 PolarHBondContact OG1-N 2.87Å; T441-D444 PolarHBondContact OG1-OD2 2.84Å; T441-I445 WeakPolarHBondContact O-CG1 3.44Å; T441-I445 PolarHBondContact O-N 3.09Å
442T92.4Very high93.9Very high24 Ų2446.3 Ų46.315%0.14724%0.236CC..Hα-helixtrans-60.8-36.1174.6-53.20000111.7I445 K446 L484 D485T442-I445 PolarHBondContact O-N 3.04Å; T442-K446 PolarHBondContact O-N 2.9Å; T442-L484 HydrophobicContact CG2-CB 3.93Å; T442-L484 HydrophobicContact CG2-CD1 3.98Å; T442-D485 WeakPolarHBondContact CB-OD1 3.34Å; T442-D485 WeakPolarHBondContact CG2-OD1 3.5Å; T442-D485 PolarHBondContact OG1-OD1 3.22Å; T442-D485 PolarHBondContact OG1-OD2 3.36Å
443E92.6Very high93.7Very high107 Ų10746.3 Ų46.350%0.524%0.237SC..Hα-helixtrans-66.3-41.6175.9-62.7-56.4152.500111.9T441 I445 K446 E447T441-E443 PolarHBondContact O-N 3.14Å; E443-I445 VanDerWaalsContact C-N 3.26Å; E443-I445 PolarHBondContact O-N 2.96Å; E443-K446 WeakPolarHBondContact O-CB 3.47Å; E443-K446 PolarHBondContact O-N 3.41Å; E443-K446 VanDerWaalsContact O-N 3.14Å; E443-E447 WeakPolarHBondContact O-CB 3.38Å; E443-E447 PolarHBondContact O-N 3.33Å
444D93.4Very high93.4Very high65 Ų6552.8 Ų52.835%0.34827%0.267SS..Hα-helixtrans-61.5-37.6176.4-58.4-39.8000111.3C440 T441 A448C440-D444 HydrophobicContact CB-CB 3.9Å; T441-D444 WeakPolarHBondContact CB-OD2 3.47Å; T441-D444 PolarHBondContact N-OD2 3.48Å; T441-D444 PolarHBondContact O-N 3.44Å; T441-D444 PolarHBondContact OG1-N 2.87Å; T441-D444 PolarHBondContact OG1-OD2 2.84Å; D444-A448 WeakPolarHBondContact O-CB 3.5Å; D444-A448 PolarHBondContact O-N 2.79Å
445I95Very high93.2Very high0 Ų059 Ų590%030%0.296CS..Hα-helixtrans-66.7-45.3175.4-62.1168.3000110.1I417 V435 T441 T442 E443 A448 F449 L484 L507 V512I417-I445 HydrophobicContact CD1-CD1 3.93Å; I417-I445 HydrophobicContact CD1-CG2 4.38Å; I417-I445 HydrophobicContact CG1-CD1 4.16Å; V435-I445 HydrophobicContact CB-CD1 4.37Å; V435-I445 HydrophobicContact CG1-CD1 4.15Å; V435-I445 HydrophobicContact CG2-CD1 4.48Å; T441-I445 WeakPolarHBondContact O-CG1 3.44Å; T441-I445 PolarHBondContact O-N 3.09Å; T442-I445 PolarHBondContact O-N 3.04Å; E443-I445 VanDerWaalsContact C-N 3.26Å; E443-I445 PolarHBondContact O-N 2.96Å; I445-A448 PolarHBondContact O-N 3.01Å; I445-F449 HydrophobicContact CG2-CD2 4.01Å; I445-F449 HydrophobicContact CG2-CE2 3.95Å; I445-F449 VanDerWaalsContact O-CD2 3.32Å; I445-F449 WeakPolarHBondContact O-CD2 3.36Å; I445-F449 PolarHBondContact O-N 3.48Å; I445-F449 VanDerWaalsContact O-N 3.07Å; I445-L484 HydrophobicContact CG2-CD2 3.91Å; I445-L507 HydrophobicContact CG2-CD2 4.37Å; I445-V512 HydrophobicContact CG1-CG1 4.19Å; I445-V512 HydrophobicContact CG1-CG2 4.48Å
446K95.1Very high92.8Very high15 Ų1564.2 Ų64.27%0.06532%0.32CS..Hα-helixtrans-58.9-47.8177.1-170.3-176.8178.6175.90110.9T442 E443 F449 M450 E462 L484 E488 L490T442-K446 PolarHBondContact O-N 2.9Å; E443-K446 WeakPolarHBondContact O-CB 3.47Å; E443-K446 PolarHBondContact O-N 3.41Å; E443-K446 VanDerWaalsContact O-N 3.14Å; K446-F449 PolarHBondContact O-N 3.5Å; K446-M450 HydrophobicContact CG-CE 4.15Å; K446-M450 WeakPolarHBondContact O-CG 3.28Å; K446-M450 PolarHBondContact O-N 3.47Å; K446-E462 WeakPolarHBondContact CE-OE1 3.43Å; K446-E462 IonicContact NZ-OE1 2.8Å; K446-E462 PolarHBondContact NZ-OE1 3.44Å; K446-E462 IonicContact NZ-OE2 2.78Å; K446-E462 PolarHBondContact NZ-OE2 2.77Å; K446-L484 HydrophobicContact CB-CD1 3.76Å; K446-L484 HydrophobicContact CD-CD1 4.37Å; K446-L484 HydrophobicContact CG-CD1 4.02Å; K446-E488 IonicContact NZ-OE1 3.69Å; K446-E488 PolarHBondContact NZ-OE1 2.83Å; K446-L490 HydrophobicContact CG-CD1 4.27Å; K446-L490 HydrophobicContact CG-CD2 4.31Å
447E94.2Very high92.4Very high112 Ų11270 Ų7052%0.52335%0.349SS..Hα-helixtrans-61.6-44.1177-172.9174.1-172.900111.3E443 F449 M450 V451E443-E447 WeakPolarHBondContact O-CB 3.38Å; E443-E447 PolarHBondContact O-N 3.33Å; E447-F449 VanDerWaalsContact C-N 3.31Å; E447-F449 PolarHBondContact O-N 2.92Å; E447-M450 PolarHBondContact O-N 2.78Å; E447-M450 VanDerWaalsContact O-N 3.08Å; E447-V451 HydrophobicContact CG-CG2 3.99Å; E447-V451 WeakPolarHBondContact O-CB 3.41Å; E447-V451 WeakPolarHBondContact O-CG2 3.35Å; E447-V451 PolarHBondContact O-N 3.1Å
448A95.2Very high92.4Very high13 Ų1366.3 Ų66.311%0.10733%0.33CS..Hα-helixtrans-57.7-4217600000112.3D444 I445 Q452 V506 A511 V512D444-A448 WeakPolarHBondContact O-CB 3.5Å; D444-A448 PolarHBondContact O-N 2.79Å; I445-A448 PolarHBondContact O-N 3.01Å; A448-Q452 VanDerWaalsContact O-CB 3.3Å; A448-Q452 WeakPolarHBondContact O-CB 3.39Å; A448-Q452 PolarHBondContact O-N 3.28Å; A448-Q452 VanDerWaalsContact O-N 3.11Å; A448-V506 HydrophobicContact CB-CG1 4.03Å; A448-A511 HydrophobicContact CB-CB 4.38Å; A448-V512 HydrophobicContact CB-CG2 3.95Å
449F96.1Very high92.2Very high0 Ų067.3 Ų67.30%033%0.33CS..Hα-helixtrans-62.9-45.2173.5-88.9-74.4000112.1I445 K446 E447 A453 L460 F480 V482 L490 F502 V506 L507I445-F449 HydrophobicContact CG2-CD2 4.01Å; I445-F449 HydrophobicContact CG2-CE2 3.95Å; I445-F449 VanDerWaalsContact O-CD2 3.32Å; I445-F449 WeakPolarHBondContact O-CD2 3.36Å; I445-F449 PolarHBondContact O-N 3.48Å; I445-F449 VanDerWaalsContact O-N 3.07Å; K446-F449 PolarHBondContact O-N 3.5Å; E447-F449 VanDerWaalsContact C-N 3.31Å; E447-F449 PolarHBondContact O-N 2.92Å; F449-A453 WeakPolarHBondContact O-CB 3.33Å; F449-A453 PolarHBondContact O-N 3.03Å; F449-L460 HydrophobicContact CB-CD1 3.99Å; F449-L460 WeakPolarHBondContact O-CD1 3.29Å; F449-F480 HydrophobicContact CD1-CE1 4.16Å; F449-F480 AromaticContact CE1-CE1 3.88Å; F449-F480 HydrophobicContact CE1-CE1 3.88Å; F449-F480 AromaticContact CE1-CZ 3.82Å; F449-F480 HydrophobicContact CE1-CZ 3.82Å; F449-V482 HydrophobicContact CD1-CG1 4.36Å; F449-V482 HydrophobicContact CD2-CG2 4.37Å; F449-V482 HydrophobicContact CE1-CB 4.48Å; F449-V482 HydrophobicContact CE1-CG1 4.48Å; F449-V482 HydrophobicContact CE1-CG2 4.44Å; F449-V482 HydrophobicContact CE2-CG2 3.84Å; F449-V482 HydrophobicContact CG-CG1 4.42Å; F449-V482 HydrophobicContact CZ-CB 4.39Å; F449-V482 HydrophobicContact CZ-CG2 3.88Å; F449-L490 HydrophobicContact CB-CD1 3.75Å; F449-L490 HydrophobicContact CG-CD1 4.36Å; F449-F502 AromaticContact CD1-CE1 3.99Å; F449-F502 HydrophobicContact CD1-CE1 3.99Å; F449-F502 HydrophobicContact CD1-CZ 4.47Å; F449-F502 HydrophobicContact CE1-CE1 4.32Å; F449-V506 HydrophobicContact CB-CG1 4.36Å; F449-V506 HydrophobicContact CD1-CB 4.01Å; F449-V506 HydrophobicContact CD1-CG1 3.8Å; F449-V506 HydrophobicContact CD1-CG2 3.64Å; F449-V506 HydrophobicContact CD2-CG1 3.74Å; F449-V506 HydrophobicContact CE1-CB 3.76Å; F449-V506 HydrophobicContact CE1-CG1 3.88Å; F449-V506 HydrophobicContact CE1-CG2 3.67Å; F449-V506 HydrophobicContact CE2-CB 4.41Å; F449-V506 HydrophobicContact CE2-CG1 3.82Å; F449-V506 HydrophobicContact CG-CB 4.44Å; F449-V506 HydrophobicContact CG-CG1 3.71Å; F449-V506 HydrophobicContact CG-CG2 4.33Å; F449-V506 HydrophobicContact CZ-CB 3.97Å; F449-V506 HydrophobicContact CZ-CG1 3.88Å; F449-V506 HydrophobicContact CZ-CG2 4.39Å; F449-L507 HydrophobicContact CE2-CD2 4.08Å; F449-L507 HydrophobicContact CE2-CG 4.48Å; F449-L507 HydrophobicContact CZ-CD2 4.33Å; F449-L507 HydrophobicContact CZ-CG 4.25Å
450M94.1Very high92.4Very high58 Ų5861.8 Ų61.829%0.28631%0.311SS..Hα-helixtrans-66.1-47.8-178.7-70.1-167.1-6800112.4K446 E447 A453 Q454K446-M450 HydrophobicContact CG-CE 4.15Å; K446-M450 WeakPolarHBondContact O-CG 3.28Å; K446-M450 PolarHBondContact O-N 3.47Å; E447-M450 PolarHBondContact O-N 2.78Å; E447-M450 VanDerWaalsContact O-N 3.08Å; M450-A453 PolarHBondContact O-N 2.85Å; M450-Q454 VanDerWaalsContact O-CG 3.29Å; M450-Q454 WeakPolarHBondContact O-CG 3.43Å; M450-Q454 PolarHBondContact O-N 3.23Å
451V93.9Very high92.5Very high61 Ų6165.8 Ų65.837%0.3733%0.329SS..Hα-helixtrans-62.4-50.2-179.9171.70000110.4E447 A453 Q454 E455E447-V451 HydrophobicContact CG-CG2 3.99Å; E447-V451 WeakPolarHBondContact O-CB 3.41Å; E447-V451 WeakPolarHBondContact O-CG2 3.35Å; E447-V451 PolarHBondContact O-N 3.1Å; V451-A453 VanDerWaalsContact C-N 3.29Å; V451-A453 PolarHBondContact O-N 2.95Å; V451-Q454 WeakPolarHBondContact O-CB 3.25Å; V451-Q454 PolarHBondContact O-N 3.3Å; V451-Q454 VanDerWaalsContact O-N 3.13Å; V451-E455 WeakPolarHBondContact O-CG 3.37Å; V451-E455 PolarHBondContact O-N 3.48Å
452Q93.2Very high92.4Very high43 Ų4367.9 Ų67.920%0.20133%0.334CS..Hα-helixtrans-69.3-29.1-177.9-152.2175.642.200112.3A448 Q456 F502 V506A448-Q452 VanDerWaalsContact O-CB 3.3Å; A448-Q452 WeakPolarHBondContact O-CB 3.39Å; A448-Q452 PolarHBondContact O-N 3.28Å; A448-Q452 VanDerWaalsContact O-N 3.11Å; Q452-Q456 WeakPolarHBondContact O-CG 3.38Å; Q452-Q456 PolarHBondContact O-N 3.45Å; Q452-F502 HydrophobicContact CB-CE2 4.39Å; Q452-F502 HydrophobicContact CG-CE2 4.48Å; Q452-V506 HydrophobicContact CB-CG2 4.28Å; Q452-V506 VanDerWaalsContact OE1-N 3.12Å
453A92.9Very high92.2Very high1 Ų167.5 Ų67.51%0.00833%0.331CS..Hα-helixtrans-65.7-45.9169.800000111.5F449 M450 V451 E455 Q456 N457 M458 L460 F502F449-A453 WeakPolarHBondContact O-CB 3.33Å; F449-A453 PolarHBondContact O-N 3.03Å; M450-A453 PolarHBondContact O-N 2.85Å; V451-A453 VanDerWaalsContact C-N 3.29Å; V451-A453 PolarHBondContact O-N 2.95Å; A453-E455 VanDerWaalsContact C-N 3.35Å; A453-E455 PolarHBondContact O-N 3.27Å; A453-Q456 CarbonylContact O-C 3.25Å; A453-Q456 WeakPolarHBondContact O-CA 3.35Å; A453-Q456 PolarHBondContact O-N 3.23Å; A453-N457 PolarHBondContact O-N 3.24Å; A453-M458 CarbonylContact C-O 3.51Å; A453-M458 HydrophobicContact CB-CB 4.01Å; A453-M458 HydrophobicContact CB-CE 4.42Å; A453-M458 WeakPolarHBondContact CB-O 3.48Å; A453-M458 WeakPolarHBondContact O-CA 3.39Å; A453-M458 WeakPolarHBondContact O-CB 3.32Å; A453-M458 PolarHBondContact O-N 2.53Å; A453-L460 HydrophobicContact CB-CD1 3.56Å; A453-L460 HydrophobicContact CB-CG 3.86Å; A453-F502 HydrophobicContact CB-CZ 3.92Å
454Q91.4Very high91.7Very high136 Ų13666.9 Ų66.964%0.63634%0.337SS*.Hα-helixtrans-60.7-41.8178.4-74.41746.800112.3M450 V451 Q456 N457 M458M450-Q454 VanDerWaalsContact O-CG 3.29Å; M450-Q454 WeakPolarHBondContact O-CG 3.43Å; M450-Q454 PolarHBondContact O-N 3.23Å; V451-Q454 WeakPolarHBondContact O-CB 3.25Å; V451-Q454 PolarHBondContact O-N 3.3Å; V451-Q454 VanDerWaalsContact O-N 3.13Å; Q454-Q456 PolarHBondContact O-N 2.97Å; Q454-N457 PolarHBondContact O-N 2.54Å; Q454-M458 PolarHBondContact N-O 3.18Å
455E90.4Very high91Very high131 Ų13168.6 Ų68.661%0.61234%0.343SS*.Hα-helixtrans-57.5-32174.4-72.2180167.400112.7V451 A453 N457V451-E455 WeakPolarHBondContact O-CG 3.37Å; V451-E455 PolarHBondContact O-N 3.48Å; A453-E455 VanDerWaalsContact C-N 3.35Å; A453-E455 PolarHBondContact O-N 3.27Å; E455-N457 VanDerWaalsContact C-N 3.35Å
456Q88.4Confident90.3Very high109 Ų10976.9 Ų76.951%0.50938%0.381SS..THydrogen-bonded Turntrans-92.610.7177.5-60.5-62-42.600113.2Q452 A453 Q454 M458Q452-Q456 WeakPolarHBondContact O-CG 3.38Å; Q452-Q456 PolarHBondContact O-N 3.45Å; A453-Q456 CarbonylContact O-C 3.25Å; A453-Q456 WeakPolarHBondContact O-CA 3.35Å; A453-Q456 PolarHBondContact O-N 3.23Å; Q454-Q456 PolarHBondContact O-N 2.97Å; Q456-M458 VanDerWaalsContact C-N 3.3Å; Q456-M458 HydrophobicContact CB-CG 4.28Å; Q456-M458 HydrophobicContact CB-SD 4.06Å; Q456-M458 PolarHBondContact O-N 3.09Å
457N87.5Confident89.7Confident151 Ų15177.5 Ų77.581%0.80739%0.386SS*.THydrogen-bonded Turntrans57.339.1-174.7-57.2-80.5000113.4A453 Q454 E455A453-N457 PolarHBondContact O-N 3.24Å; Q454-N457 PolarHBondContact O-N 2.54Å; E455-N457 VanDerWaalsContact C-N 3.35Å
458M91.4Very high89Confident10 Ų1075.8 Ų75.85%0.04938%0.381CS..  trans-113.5129.5176.2-62.9170.526.900109.9A453 Q454 Q456 Y492 F498 F502A453-M458 CarbonylContact C-O 3.51Å; A453-M458 HydrophobicContact CB-CB 4.01Å; A453-M458 HydrophobicContact CB-CE 4.42Å; A453-M458 WeakPolarHBondContact CB-O 3.48Å; A453-M458 WeakPolarHBondContact O-CA 3.39Å; A453-M458 WeakPolarHBondContact O-CB 3.32Å; A453-M458 PolarHBondContact O-N 2.53Å; Q454-M458 PolarHBondContact N-O 3.18Å; Q456-M458 VanDerWaalsContact C-N 3.3Å; Q456-M458 HydrophobicContact CB-CG 4.28Å; Q456-M458 HydrophobicContact CB-SD 4.06Å; Q456-M458 PolarHBondContact O-N 3.09Å; M458-Y492 HydrophobicContact CB-CD2 4.33Å; M458-Y492 HydrophobicContact CB-CE1 4.16Å; M458-Y492 HydrophobicContact CB-CE2 3.92Å; M458-Y492 HydrophobicContact CE-CD1 3.9Å; M458-Y492 HydrophobicContact CE-CE1 4.07Å; M458-Y492 HydrophobicContact CE-CG 4.43Å; M458-Y492 HydrophobicContact CG-CE1 3.84Å; M458-Y492 HydrophobicContact CG-CE2 4.34Å; M458-Y492 HydrophobicContact SD-CE1 4.22Å; M458-F498 HydrophobicContact CE-CD2 3.72Å; M458-F498 HydrophobicContact CE-CE2 3.27Å; M458-F498 HydrophobicContact CE-CZ 4.26Å; M458-F498 HydrophobicContact SD-CD2 3.85Å; M458-F498 HydrophobicContact SD-CE2 4Å; M458-F502 HydrophobicContact CE-CD1 4.21Å; M458-F502 HydrophobicContact CE-CD2 4.35Å; M458-F502 HydrophobicContact CE-CE1 3.98Å; M458-F502 HydrophobicContact CE-CE2 4.13Å; M458-F502 HydrophobicContact CE-CG 4.39Å; M458-F502 HydrophobicContact CE-CZ 3.96Å
459E88.3Confident88.4Confident161 Ų16175.7 Ų75.775%0.75238%0.378SS*.  trans-103.897.9179.9-169.8177.7-17100110.1Y492E459-Y492 VanDerWaalsContact O-CD2 3.32Å; E459-Y492 WeakPolarHBondContact O-CD2 3.37Å
460L91.9Very high87.8Confident23 Ų2379.6 Ų79.612%0.1240%0.395CS..PPolyproline II helixtrans-71.3130.9174.9-78.1165.8000110.2F449 A453 F480 L490F449-L460 HydrophobicContact CB-CD1 3.99Å; F449-L460 WeakPolarHBondContact O-CD1 3.29Å; A453-L460 HydrophobicContact CB-CD1 3.56Å; A453-L460 HydrophobicContact CB-CG 3.86Å; L460-F480 HydrophobicContact CD2-CD1 4.29Å; L460-L490 HydrophobicContact CB-CB 4.48Å; L460-L490 HydrophobicContact CD1-CD1 4.27Å; L460-L490 HydrophobicContact CD2-CB 4.16Å
461M91.2Very high87.2Confident94 Ų9484.1 Ų84.146%0.46342%0.416SS..EExtended strand (participates in β ladder)trans-102.3134.5176.5-60.6-178.4-61.300110.1L490 Y491M461-L490 CarbonylContact O-C 3.59Å; M461-L490 WeakPolarHBondContact O-CA 3.06Å; M461-Y491 HydrophobicContact CE-CD1 3.6Å; M461-Y491 HydrophobicContact CE-CE1 3.91Å; M461-Y491 PolarHBondContact N-O 3.07Å; M461-Y491 PolarHBondContact O-N 2.91Å
462E91.3Very high86.7Confident111 Ų11183.5 Ų83.552%0.51941%0.41SS..EExtended strand (participates in β ladder)trans-76.3130.8169.9-66.9-176.4-15100110.1K446 K489 L490K446-E462 WeakPolarHBondContact CE-OE1 3.43Å; K446-E462 IonicContact NZ-OE1 2.8Å; K446-E462 PolarHBondContact NZ-OE1 3.44Å; K446-E462 IonicContact NZ-OE2 2.78Å; K446-E462 PolarHBondContact NZ-OE2 2.77Å; E462-K489 WeakPolarHBondContact CA-O 3.35Å; E462-L490 HydrophobicContact CG-CD2 3.59Å
463I89.2Confident86.2Confident16 Ų1681.5 Ų81.58%0.08240%0.4CS..EExtended strand (participates in β ladder)trans-117.6139.8177.368.3175.6000109.6L469 I472 Y481 K489I463-L469 HydrophobicContact CD1-CD2 4.26Å; I463-I472 HydrophobicContact CB-CD1 3.77Å; I463-I472 HydrophobicContact CD1-CD1 3.58Å; I463-I472 HydrophobicContact CG1-CD1 4.23Å; I463-I472 HydrophobicContact CG2-CD1 3.58Å; I463-Y481 HydrophobicContact CD1-CD2 4.41Å; I463-Y481 HydrophobicContact CD1-CE2 4.2Å; I463-K489 HydrophobicContact CD1-CB 3.79Å; I463-K489 HydrophobicContact CD1-CD 4.13Å; I463-K489 HydrophobicContact CG1-CB 3.27Å; I463-K489 HydrophobicContact CG1-CD 4.17Å; I463-K489 HydrophobicContact CG1-CG 4.35Å; I463-K489 PolarHBondContact N-O 3.01Å
464P81.6Confident85.7Confident95 Ų9584.8 Ų84.862%0.61742%0.422SS*.  trans-57.9144179-22.129000112.2H466 T467P464-H466 PolarHBondContact O-N 2.89Å; P464-H466 VanDerWaalsContact O-N 3.08Å; P464-T467 WeakPolarHBondContact CB-OG1 3.17Å; P464-T467 VanDerWaalsContact CD-OG1 3.27Å; P464-T467 WeakPolarHBondContact CD-OG1 3.38Å; P464-T467 WeakPolarHBondContact O-CB 3.48Å; P464-T467 PolarHBondContact O-N 2.86Å; P464-T467 PolarHBondContact O-OG1 3.39Å
465Q79.1Confident85.1Confident101 Ų10182.7 Ų82.747%0.47242%0.42SS..THydrogen-bonded Turntrans-49.9-39.1-175.5-178.5173.921.500113.8G487 K489Q465-G487 WeakPolarHBondContact CG-O 3.38Å; Q465-K489 VanDerWaalsContact O-CE 3.29Å; Q465-K489 WeakPolarHBondContact O-CE 3.32Å; Q465-K489 PolarHBondContact O-NZ 2.8Å
466H79.5Confident84.5Confident173 Ų17378.9 Ų78.980%0.80142%0.416SS*.THydrogen-bonded Turntrans-90.75.3-177-55.9-57.4000114.5P464 D468P464-H466 PolarHBondContact O-N 2.89Å; P464-H466 VanDerWaalsContact O-N 3.08Å; H466-D468 PolarHBondContact O-N 2.94Å
467T82.4Confident84.4Confident28 Ų2874.4 Ų74.417%0.17240%0.396CS..  trans-75127.1178.2-39.80000109.7P464 I472P464-T467 WeakPolarHBondContact CB-OG1 3.17Å; P464-T467 VanDerWaalsContact CD-OG1 3.27Å; P464-T467 WeakPolarHBondContact CD-OG1 3.38Å; P464-T467 WeakPolarHBondContact O-CB 3.48Å; P464-T467 PolarHBondContact O-N 2.86Å; P464-T467 PolarHBondContact O-OG1 3.39Å; T467-I472 HydrophobicContact CG2-CD1 3.56Å; T467-I472 HydrophobicContact CG2-CG1 3.76Å
468D79.5Confident84.5Confident77 Ų7769.6 Ų69.641%0.41237%0.373SS..  trans-73.2126.3171.7-175.9-13000108.8H466 K470 Q471H466-D468 PolarHBondContact O-N 2.94Å; D468-K470 PolarHBondContact O-N 3.2Å; D468-K470 VanDerWaalsContact O-N 3.09Å; D468-K470 WeakPolarHBondContact OD1-CB 3.31Å; D468-K470 WeakPolarHBondContact OD1-CG 3.23Å; D468-K470 PolarHBondContact OD1-N 3.16Å; D468-Q471 HydrophobicContact CB-CG 4.15Å; D468-Q471 WeakPolarHBondContact O-CB 3.2Å; D468-Q471 PolarHBondContact O-N 3.33Å
469L83.4Confident84.6Confident11 Ų1169.1 Ų69.16%0.05837%0.371CS..Hα-helixtrans-53.5-30.4176.4-85159.2000112.1V388 I463 Q471 I472 A473 Y481 Y491V388-L469 HydrophobicContact CG1-CB 3.93Å; I463-L469 HydrophobicContact CD1-CD2 4.26Å; L469-Q471 PolarHBondContact O-N 2.8Å; L469-I472 PolarHBondContact O-N 3.29Å; L469-I472 VanDerWaalsContact O-N 3.1Å; L469-A473 PolarHBondContact O-N 3.19Å; L469-Y481 HydrophobicContact CD1-CD1 4.07Å; L469-Y481 HydrophobicContact CD1-CD2 4Å; L469-Y481 HydrophobicContact CD1-CE1 4.06Å; L469-Y481 HydrophobicContact CD1-CE2 3.93Å; L469-Y481 HydrophobicContact CD1-CG 4.02Å; L469-Y481 HydrophobicContact CD2-CD2 3.72Å; L469-Y481 HydrophobicContact CD2-CE2 4.15Å; L469-Y481 HydrophobicContact CD2-CG 4.14Å; L469-Y481 HydrophobicContact CG-CD2 4.29Å; L469-Y481 HydrophobicContact CG-CE2 4.28Å; L469-Y491 HydrophobicContact CD2-CD2 3.93Å; L469-Y491 HydrophobicContact CD2-CE2 4.33Å
470K82.9Confident85Confident82 Ų8261.5 Ų61.536%0.35734%0.335SS..Hα-helixtrans-62.6-26.1176.3-66.3176.9-179.5179.10113.4V388 L390 D468 I472V388-K470 HydrophobicContact CB-CG 4.04Å; V388-K470 HydrophobicContact CG1-CG 4.26Å; V388-K470 VanDerWaalsContact O-CE 3.25Å; V388-K470 WeakPolarHBondContact O-CE 3.5Å; L390-K470 PolarHBondContact O-NZ 3.39Å; D468-K470 PolarHBondContact O-N 3.2Å; D468-K470 VanDerWaalsContact O-N 3.09Å; D468-K470 WeakPolarHBondContact OD1-CB 3.31Å; D468-K470 WeakPolarHBondContact OD1-CG 3.23Å; D468-K470 PolarHBondContact OD1-N 3.16Å; K470-I472 VanDerWaalsContact C-N 3.35Å
471Q82.3Confident85.1Confident152 Ų15260.6 Ų60.671%0.7133%0.33SS*.Hα-helixtrans-76.5-26.5177.3-63.6176.4-9.700111.9D468 L469D468-Q471 HydrophobicContact CB-CG 4.15Å; D468-Q471 WeakPolarHBondContact O-CB 3.2Å; D468-Q471 PolarHBondContact O-N 3.33Å; L469-Q471 PolarHBondContact O-N 2.8Å
472I82.4Confident85.3Confident49 Ų4956.1 Ų56.125%0.25131%0.308SS..Hα-helixtrans-98.6-35.4-174.4-45.1-178.5000111.1I463 T467 L469 K470 Y491I463-I472 HydrophobicContact CB-CD1 3.77Å; I463-I472 HydrophobicContact CD1-CD1 3.58Å; I463-I472 HydrophobicContact CG1-CD1 4.23Å; I463-I472 HydrophobicContact CG2-CD1 3.58Å; T467-I472 HydrophobicContact CG2-CD1 3.56Å; T467-I472 HydrophobicContact CG2-CG1 3.76Å; L469-I472 PolarHBondContact O-N 3.29Å; L469-I472 VanDerWaalsContact O-N 3.1Å; K470-I472 VanDerWaalsContact C-N 3.35Å; I472-Y491 HydrophobicContact CG2-CD1 4.01Å; I472-Y491 HydrophobicContact CG2-CE1 3.83Å; I472-Y491 HydrophobicContact CG2-CG 4.48Å
473A83.7Confident85.5Confident0 Ų051.2 Ų51.20%029%0.285CS..SBendtrans-124.5103-176.600000110.6V388 L469 Y479 Y491V388-A473 HydrophobicContact CG1-CB 4.27Å; L469-A473 PolarHBondContact O-N 3.19Å; A473-Y479 HydrophobicContact CB-CD1 3.89Å; A473-Y479 HydrophobicContact CB-CE1 4.24Å; A473-Y491 HydrophobicContact CB-CE2 3.96Å; A473-Y491 WeakPolarHBondContact CB-OH 3.34Å
474P81Confident85.7Confident71 Ų7150.5 Ų50.546%0.46128%0.282SS..  trans-58.9146.2170.2-22.232.3000111G476 T477P474-G476 PolarHBondContact O-N 3.28Å; P474-T477 WeakPolarHBondContact O-CB 3.44Å; P474-T477 PolarHBondContact O-N 3.34Å; P474-T477 PolarHBondContact O-OG1 3.24Å
475P79.2Confident86.2Confident91 Ų9148.8 Ų48.859%0.59127%0.267SS*.THydrogen-bonded Turntrans-49.1137.3175.7-28.835.4000112.7E389 T477E389-P475 HydrophobicContact CG-CB 4.35Å; P475-T477 VanDerWaalsContact C-N 3.31Å; P475-T477 PolarHBondContact O-N 2.89Å
476G78Confident86.6Confident52 Ų5246.5 Ų46.554%0.53626%0.263SS..THydrogen-bonded Turntrans82.6-5.1-174.700000115.6P474 P478P474-G476 PolarHBondContact O-N 3.28Å; G476-P478 WeakPolarHBondContact O-CD 3.43Å
477T85.7Confident86.9Confident15 Ų1538.5 Ų38.59%0.09223%0.227CC..  trans-77.4121.2171.6-56.20000109.8N422 P474 P475 Y479 R493N422-T477 PolarHBondContact ND2-O 3.08Å; P474-T477 WeakPolarHBondContact O-CB 3.44Å; P474-T477 PolarHBondContact O-N 3.34Å; P474-T477 PolarHBondContact O-OG1 3.24Å; P475-T477 VanDerWaalsContact C-N 3.31Å; P475-T477 PolarHBondContact O-N 2.89Å; T477-Y479 WeakPolarHBondContact O-CD1 3.39Å; T477-Y479 PolarHBondContact O-N 3.28Å; T477-R493 HydrophobicContact CG2-CG 3.89Å
478P91Very high87.3Confident50 Ų5039.9 Ų39.933%0.32523%0.231SC..  trans-69.2133.3175.5-19.733.9000111.4N422 Y423 G476 I494N422-P478 CarbonylContact O-C 3.53Å; N422-P478 WeakPolarHBondContact O-CA 3.15Å; N422-P478 WeakPolarHBondContact O-CB 3.35Å; Y423-P478 HydrophobicContact CD2-CB 3.96Å; G476-P478 WeakPolarHBondContact O-CD 3.43Å; P478-I494 HydrophobicContact CB-CB 4.01Å; P478-I494 HydrophobicContact CB-CG2 4.36Å; P478-I494 PolarHBondContact O-N 3.26Å
479Y93.7Very high88Confident0 Ų037.4 Ų37.40%022%0.217CC..EExtended strand (participates in β ladder)trans-146.7159.5-18066.9-98.2000112.7V387 V388 E420 N422 A473 T477 Y491 Y492 I494V387-Y479 PolarHBondContact N-OH 3.1Å; V388-Y479 HydrophobicContact CG1-CE1 3.95Å; V388-Y479 HydrophobicContact CG2-CE1 4.01Å; E420-Y479 HydrophobicContact CG-CE2 4.39Å; E420-Y479 PolarHBondContact OE1-OH 2.99Å; E420-Y479 WeakPolarHBondContact OE2-CE2 3.43Å; E420-Y479 PolarHBondContact OE2-OH 3.46Å; N422-Y479 CarbonylContact C-O 3.33Å; N422-Y479 WeakPolarHBondContact CA-O 3.22Å; N422-Y479 HydrophobicContact CB-CD1 3.82Å; N422-Y479 HydrophobicContact CB-CD2 4.24Å; N422-Y479 HydrophobicContact CB-CE1 3.67Å; N422-Y479 HydrophobicContact CB-CE2 4.1Å; N422-Y479 HydrophobicContact CB-CG 4.09Å; N422-Y479 PolarHBondContact N-O 3.37Å; N422-Y479 VanDerWaalsContact ND2-CE1 3.35Å; N422-Y479 WeakPolarHBondContact ND2-CE1 3.49Å; N422-Y479 PolarHBondContact O-N 3.18Å; A473-Y479 HydrophobicContact CB-CD1 3.89Å; A473-Y479 HydrophobicContact CB-CE1 4.24Å; T477-Y479 WeakPolarHBondContact O-CD1 3.39Å; T477-Y479 PolarHBondContact O-N 3.28Å; Y479-Y491 HydrophobicContact CD1-CE2 4.41Å; Y479-Y491 HydrophobicContact CD2-CD2 4.4Å; Y479-Y491 HydrophobicContact CD2-CE2 4.02Å; Y479-Y491 AromaticContact CG-CE2 3.72Å; Y479-Y491 HydrophobicContact CG-CE2 3.72Å; Y479-Y492 CarbonylContact C-O 3.48Å; Y479-Y492 VanDerWaalsContact CA-O 3.26Å; Y479-Y492 WeakPolarHBondContact CA-O 3.24Å; Y479-Y492 WeakPolarHBondContact CB-O 3.36Å; Y479-I494 VanDerWaalsContact C-CD1 3.41Å
480F95.2Very high88.5Confident1 Ų136.9 Ų36.90%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-116.6136.8163.1179.7-101.4000108.6F419 E420 R421 F449 L460 V482 Y492 I494 F498 F502F419-F480 HydrophobicContact CB-CE2 4.22Å; F419-F480 HydrophobicContact CB-CZ 4.06Å; F419-F480 AromaticContact CD2-CE2 3.96Å; F419-F480 HydrophobicContact CD2-CE2 3.96Å; F419-F480 HydrophobicContact CD2-CZ 4.43Å; F419-F480 HydrophobicContact CG-CE2 4.4Å; F419-F480 HydrophobicContact CG-CZ 4.45Å; E420-F480 WeakPolarHBondContact O-CD2 3.48Å; R421-F480 HydrophobicContact CB-CD2 4.22Å; R421-F480 HydrophobicContact CG-CD2 4.48Å; F449-F480 HydrophobicContact CD1-CE1 4.16Å; F449-F480 AromaticContact CE1-CE1 3.88Å; F449-F480 HydrophobicContact CE1-CE1 3.88Å; F449-F480 AromaticContact CE1-CZ 3.82Å; F449-F480 HydrophobicContact CE1-CZ 3.82Å; L460-F480 HydrophobicContact CD2-CD1 4.29Å; F480-V482 HydrophobicContact CE1-CB 4.37Å; F480-V482 HydrophobicContact CE1-CG1 4.41Å; F480-Y492 PolarHBondContact N-O 2.85Å; F480-Y492 PolarHBondContact O-N 3.34Å; F480-I494 HydrophobicContact CB-CD1 4.18Å; F480-F498 HydrophobicContact CB-CE1 4.31Å; F480-F498 HydrophobicContact CB-CE2 3.57Å; F480-F498 HydrophobicContact CB-CZ 3.44Å; F480-F498 VanDerWaalsContact CB-CZ 3.44Å; F480-F498 HydrophobicContact CD1-CZ 4.17Å; F480-F498 AromaticContact CD2-CE1 4Å; F480-F498 HydrophobicContact CD2-CE1 4Å; F480-F498 HydrophobicContact CD2-CE2 4.39Å; F480-F498 AromaticContact CD2-CZ 3.45Å; F480-F498 HydrophobicContact CD2-CZ 3.45Å; F480-F498 VanDerWaalsContact CD2-CZ 3.45Å; F480-F498 HydrophobicContact CE2-CZ 4.23Å; F480-F498 HydrophobicContact CG-CE1 4.33Å; F480-F498 AromaticContact CG-CE2 3.92Å; F480-F498 HydrophobicContact CG-CE2 3.92Å; F480-F498 AromaticContact CG-CZ 3.4Å; F480-F498 HydrophobicContact CG-CZ 3.4Å; F480-F498 VanDerWaalsContact CG-CZ 3.4Å; F480-F502 AromaticContact CD1-CD1 3.96Å; F480-F502 HydrophobicContact CD1-CD1 3.96Å; F480-F502 HydrophobicContact CD1-CE1 4.06Å; F480-F502 HydrophobicContact CD2-CD1 4.45Å; F480-F502 AromaticContact CE1-CD1 3.64Å; F480-F502 HydrophobicContact CE1-CD1 3.64Å; F480-F502 AromaticContact CE1-CE1 3.7Å; F480-F502 HydrophobicContact CE1-CE1 3.7Å; F480-F502 HydrophobicContact CE2-CD1 4.16Å; F480-F502 HydrophobicContact CG-CD1 4.35Å; F480-F502 AromaticContact CZ-CD1 3.76Å; F480-F502 HydrophobicContact CZ-CD1 3.76Å; F480-F502 HydrophobicContact CZ-CE1 4.21Å
481Y94.4Very high89.1Confident3 Ų333.1 Ų33.11%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-136.4138.8-177164.6-101.9000109.3F419 E420 I463 L469 E483 K489 L490F419-Y481 CarbonylContact C-O 3.57Å; F419-Y481 WeakPolarHBondContact CA-O 3.3Å; F419-Y481 VanDerWaalsContact CB-O 3.32Å; F419-Y481 WeakPolarHBondContact CB-O 3.46Å; E420-Y481 HydrophobicContact CB-CD1 4.24Å; E420-Y481 PolarHBondContact N-O 3.34Å; E420-Y481 PolarHBondContact O-N 2.94Å; I463-Y481 HydrophobicContact CD1-CD2 4.41Å; I463-Y481 HydrophobicContact CD1-CE2 4.2Å; L469-Y481 HydrophobicContact CD1-CD1 4.07Å; L469-Y481 HydrophobicContact CD1-CD2 4Å; L469-Y481 HydrophobicContact CD1-CE1 4.06Å; L469-Y481 HydrophobicContact CD1-CE2 3.93Å; L469-Y481 HydrophobicContact CD1-CG 4.02Å; L469-Y481 HydrophobicContact CD2-CD2 3.72Å; L469-Y481 HydrophobicContact CD2-CE2 4.15Å; L469-Y481 HydrophobicContact CD2-CG 4.14Å; L469-Y481 HydrophobicContact CG-CD2 4.29Å; L469-Y481 HydrophobicContact CG-CE2 4.28Å; Y481-E483 HydrophobicContact CE1-CB 3.93Å; Y481-E483 WeakPolarHBondContact OH-CB 3.47Å; Y481-E483 WeakPolarHBondContact OH-CG 3.11Å; Y481-E483 PolarHBondContact OH-OE2 2.88Å; Y481-K489 HydrophobicContact CE2-CB 3.79Å; Y481-K489 HydrophobicContact CE2-CD 3.81Å; Y481-K489 HydrophobicContact CE2-CG 3.68Å; Y481-K489 VanDerWaalsContact OH-CD 3.31Å; Y481-K489 WeakPolarHBondContact OH-CD 3.39Å; Y481-K489 WeakPolarHBondContact OH-CE 3.32Å; Y481-K489 WeakPolarHBondContact OH-CG 3.44Å; Y481-L490 WeakPolarHBondContact CA-O 3.05Å
482V96.1Very high89.6Confident0 Ų027.4 Ų27.40%017%0.17CC..EExtended strand (participates in β ladder)trans-132.6141170.157.10000109.6I417 L418 F419 F449 F480 L484 K489 L490I417-V482 HydrophobicContact CG2-CG2 3.93Å; L418-V482 CarbonylContact O-C 3.58Å; L418-V482 VanDerWaalsContact O-CA 3.26Å; L418-V482 WeakPolarHBondContact O-CA 3.32Å; L418-V482 WeakPolarHBondContact O-CG2 3.49Å; F419-V482 HydrophobicContact CB-CB 4.17Å; F419-V482 HydrophobicContact CB-CG2 4.33Å; F449-V482 HydrophobicContact CD1-CG1 4.36Å; F449-V482 HydrophobicContact CD2-CG2 4.37Å; F449-V482 HydrophobicContact CE1-CB 4.48Å; F449-V482 HydrophobicContact CE1-CG1 4.48Å; F449-V482 HydrophobicContact CE1-CG2 4.44Å; F449-V482 HydrophobicContact CE2-CG2 3.84Å; F449-V482 HydrophobicContact CG-CG1 4.42Å; F449-V482 HydrophobicContact CZ-CB 4.39Å; F449-V482 HydrophobicContact CZ-CG2 3.88Å; F480-V482 HydrophobicContact CE1-CB 4.37Å; F480-V482 HydrophobicContact CE1-CG1 4.41Å; V482-L484 HydrophobicContact CG2-CD2 4.15Å; V482-K489 CarbonylContact O-C 3.55Å; V482-K489 VanDerWaalsContact O-CA 3.27Å; V482-K489 WeakPolarHBondContact O-CA 3.36Å; V482-L490 HydrophobicContact CG1-CB 3.48Å; V482-L490 VanDerWaalsContact CG1-CB 3.48Å; V482-L490 HydrophobicContact CG1-CD1 3.86Å; V482-L490 HydrophobicContact CG1-CG 3.81Å; V482-L490 PolarHBondContact N-O 2.63Å; V482-L490 PolarHBondContact O-N 3.4Å
483E95.3Very high90.1Very high9 Ų931.8 Ų31.84%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-119.7121.1175.4-164.3170.3164.600108K402 R406 L418 Y481 K489K402-E483 IonicContact NZ-OE2 3.98Å; K402-E483 PolarHBondContact NZ-OE2 3.13Å; R406-E483 IonicContact CZ-OE1 3.13Å; R406-E483 IonicContact NH2-OE1 2.82Å; R406-E483 PolarHBondContact NH2-OE1 3.07Å; L418-E483 HydrophobicContact CB-CB 4.16Å; L418-E483 HydrophobicContact CD1-CB 4.23Å; L418-E483 HydrophobicContact CD1-CG 4.49Å; L418-E483 PolarHBondContact N-O 2.72Å; L418-E483 PolarHBondContact O-N 3.28Å; Y481-E483 HydrophobicContact CE1-CB 3.93Å; Y481-E483 WeakPolarHBondContact OH-CB 3.47Å; Y481-E483 WeakPolarHBondContact OH-CG 3.11Å; Y481-E483 PolarHBondContact OH-OE2 2.88Å; E483-K489 HydrophobicContact CG-CG 4.09Å
484L94.1Very high90.4Very high0 Ų032.2 Ų32.20%019%0.185CC..  trans-86.2169.1178.7-56.5-179.2000110.8I417 T442 I445 K446 V482 S486 G487 E488I417-L484 HydrophobicContact CD1-CD2 4.1Å; I417-L484 HydrophobicContact CG2-CD2 4.41Å; T442-L484 HydrophobicContact CG2-CB 3.93Å; T442-L484 HydrophobicContact CG2-CD1 3.98Å; I445-L484 HydrophobicContact CG2-CD2 3.91Å; K446-L484 HydrophobicContact CB-CD1 3.76Å; K446-L484 HydrophobicContact CD-CD1 4.37Å; K446-L484 HydrophobicContact CG-CD1 4.02Å; V482-L484 HydrophobicContact CG2-CD2 4.15Å; L484-S486 PolarHBondContact O-N 2.85Å; L484-G487 PolarHBondContact O-N 3.3Å; L484-E488 HydrophobicContact CD1-CB 4.33Å; L484-E488 PolarHBondContact N-O 3.45Å
485D90.9Very high90.5Very high59 Ų5936.7 Ų36.732%0.31620%0.2SC..THydrogen-bonded Turntrans-69.6-22.1177.767.2-49.1000113.1R415 T442 G487R415-D485 HydrophobicContact CB-CB 4.05Å; R415-D485 WeakPolarHBondContact CD-OD2 3.5Å; R415-D485 HydrophobicContact CG-CB 4.48Å; R415-D485 VanDerWaalsContact CG-OD2 3.32Å; R415-D485 WeakPolarHBondContact CG-OD2 3.22Å; R415-D485 IonicContact NE-OD2 3.31Å; T442-D485 WeakPolarHBondContact CB-OD1 3.34Å; T442-D485 WeakPolarHBondContact CG2-OD1 3.5Å; T442-D485 PolarHBondContact OG1-OD1 3.22Å; T442-D485 PolarHBondContact OG1-OD2 3.36Å; D485-G487 PolarHBondContact O-N 3.08Å
486S88.1Confident90.6Very high54 Ų5441 Ų4138%0.37821%0.209SC..THydrogen-bonded Turntrans-67.6-17.2168.260.70000113.2L484 E488L484-S486 PolarHBondContact O-N 2.85Å; S486-E488 VanDerWaalsContact C-N 3.3Å; S486-E488 WeakPolarHBondContact OG-CB 3.46Å; S486-E488 WeakPolarHBondContact OG-CG 3.31Å; S486-E488 PolarHBondContact OG-N 2.91Å; S486-E488 PolarHBondContact OG-OE2 2.8Å
487G86.6Confident90.7Very high5 Ų545 Ų455%0.05222%0.219CC..SBendtrans85.9-1.7-170.800000114Q465 L484 D485Q465-G487 WeakPolarHBondContact CG-O 3.38Å; L484-G487 PolarHBondContact O-N 3.3Å; D485-G487 PolarHBondContact O-N 3.08Å
488E89.9Confident90.8Very high57 Ų5744.8 Ų44.827%0.26622%0.217SC..  trans-63.9149.4167.6-69.8169.7100.800110.8K446 L484 S486K446-E488 IonicContact NZ-OE1 3.69Å; K446-E488 PolarHBondContact NZ-OE1 2.83Å; L484-E488 HydrophobicContact CD1-CB 4.33Å; L484-E488 PolarHBondContact N-O 3.45Å; S486-E488 VanDerWaalsContact C-N 3.3Å; S486-E488 WeakPolarHBondContact OG-CB 3.46Å; S486-E488 WeakPolarHBondContact OG-CG 3.31Å; S486-E488 PolarHBondContact OG-N 2.91Å; S486-E488 PolarHBondContact OG-OE2 2.8Å
489K93.6Very high90.8Very high25 Ų2543.9 Ų43.911%0.10921%0.211CC..EExtended strand (participates in β ladder)trans-131.9130-172.2-70.9172.8-178.8-177.40109.4E462 I463 Q465 Y481 V482 E483E462-K489 WeakPolarHBondContact CA-O 3.35Å; I463-K489 HydrophobicContact CD1-CB 3.79Å; I463-K489 HydrophobicContact CD1-CD 4.13Å; I463-K489 HydrophobicContact CG1-CB 3.27Å; I463-K489 HydrophobicContact CG1-CD 4.17Å; I463-K489 HydrophobicContact CG1-CG 4.35Å; I463-K489 PolarHBondContact N-O 3.01Å; Q465-K489 VanDerWaalsContact O-CE 3.29Å; Q465-K489 WeakPolarHBondContact O-CE 3.32Å; Q465-K489 PolarHBondContact O-NZ 2.8Å; Y481-K489 HydrophobicContact CE2-CB 3.79Å; Y481-K489 HydrophobicContact CE2-CD 3.81Å; Y481-K489 HydrophobicContact CE2-CG 3.68Å; Y481-K489 VanDerWaalsContact OH-CD 3.31Å; Y481-K489 WeakPolarHBondContact OH-CD 3.39Å; Y481-K489 WeakPolarHBondContact OH-CE 3.32Å; Y481-K489 WeakPolarHBondContact OH-CG 3.44Å; V482-K489 CarbonylContact O-C 3.55Å; V482-K489 VanDerWaalsContact O-CA 3.27Å; V482-K489 WeakPolarHBondContact O-CA 3.36Å; E483-K489 HydrophobicContact CG-CG 4.09Å
490L94.5Very high90.6Very high0 Ų047.2 Ų47.20%023%0.228CC..EExtended strand (participates in β ladder)trans-108.4138.8170-43.1175.2000109.1K446 F449 L460 M461 E462 Y481 V482K446-L490 HydrophobicContact CG-CD1 4.27Å; K446-L490 HydrophobicContact CG-CD2 4.31Å; F449-L490 HydrophobicContact CB-CD1 3.75Å; F449-L490 HydrophobicContact CG-CD1 4.36Å; L460-L490 HydrophobicContact CB-CB 4.48Å; L460-L490 HydrophobicContact CD1-CD1 4.27Å; L460-L490 HydrophobicContact CD2-CB 4.16Å; M461-L490 CarbonylContact O-C 3.59Å; M461-L490 WeakPolarHBondContact O-CA 3.06Å; E462-L490 HydrophobicContact CG-CD2 3.59Å; Y481-L490 WeakPolarHBondContact CA-O 3.05Å; V482-L490 HydrophobicContact CG1-CB 3.48Å; V482-L490 VanDerWaalsContact CG1-CB 3.48Å; V482-L490 HydrophobicContact CG1-CD1 3.86Å; V482-L490 HydrophobicContact CG1-CG 3.81Å; V482-L490 PolarHBondContact N-O 2.63Å; V482-L490 PolarHBondContact O-N 3.4Å
491Y94.7Very high90.3Very high3 Ų348.9 Ų48.91%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-134.2135.5-176.7173.5-91.6000110.8M461 L469 I472 A473 Y479 R493M461-Y491 HydrophobicContact CE-CD1 3.6Å; M461-Y491 HydrophobicContact CE-CE1 3.91Å; M461-Y491 PolarHBondContact N-O 3.07Å; M461-Y491 PolarHBondContact O-N 2.91Å; L469-Y491 HydrophobicContact CD2-CD2 3.93Å; L469-Y491 HydrophobicContact CD2-CE2 4.33Å; I472-Y491 HydrophobicContact CG2-CD1 4.01Å; I472-Y491 HydrophobicContact CG2-CE1 3.83Å; I472-Y491 HydrophobicContact CG2-CG 4.48Å; A473-Y491 HydrophobicContact CB-CE2 3.96Å; A473-Y491 WeakPolarHBondContact CB-OH 3.34Å; Y479-Y491 HydrophobicContact CD1-CE2 4.41Å; Y479-Y491 HydrophobicContact CD2-CD2 4.4Å; Y479-Y491 HydrophobicContact CD2-CE2 4.02Å; Y479-Y491 AromaticContact CG-CE2 3.72Å; Y479-Y491 HydrophobicContact CG-CE2 3.72Å; Y491-R493 HydrophobicContact CE1-CB 4.02Å
492Y94.3Very high90.3Very high31 Ų3148.8 Ų48.812%0.12224%0.236CC..EExtended strand (participates in β ladder)trans-130.3125.8172.2177.6-112.6000110.5M458 E459 Y479 F480 I494 F498M458-Y492 HydrophobicContact CB-CD2 4.33Å; M458-Y492 HydrophobicContact CB-CE1 4.16Å; M458-Y492 HydrophobicContact CB-CE2 3.92Å; M458-Y492 HydrophobicContact CE-CD1 3.9Å; M458-Y492 HydrophobicContact CE-CE1 4.07Å; M458-Y492 HydrophobicContact CE-CG 4.43Å; M458-Y492 HydrophobicContact CG-CE1 3.84Å; M458-Y492 HydrophobicContact CG-CE2 4.34Å; M458-Y492 HydrophobicContact SD-CE1 4.22Å; E459-Y492 VanDerWaalsContact O-CD2 3.32Å; E459-Y492 WeakPolarHBondContact O-CD2 3.37Å; Y479-Y492 CarbonylContact C-O 3.48Å; Y479-Y492 VanDerWaalsContact CA-O 3.26Å; Y479-Y492 WeakPolarHBondContact CA-O 3.24Å; Y479-Y492 WeakPolarHBondContact CB-O 3.36Å; F480-Y492 PolarHBondContact N-O 2.85Å; F480-Y492 PolarHBondContact O-N 3.34Å; Y492-I494 HydrophobicContact CD1-CG1 3.76Å; Y492-I494 HydrophobicContact CE1-CB 4.45Å; Y492-I494 HydrophobicContact CE1-CG1 3.98Å; Y492-I494 PolarHBondContact O-N 3.18Å; Y492-F498 HydrophobicContact CD1-CD2 4.05Å; Y492-F498 HydrophobicContact CD1-CE2 4.05Å; Y492-F498 HydrophobicContact CE1-CD2 4.09Å
493R92.3Very high90.2Very high142 Ų14248.9 Ų48.954%0.53624%0.236SC..EExtended strand (participates in β ladder)trans-81.7114.4171.3-175.1177.4-178.1163.63.5109.3T477 Y491 Q495T477-R493 HydrophobicContact CG2-CG 3.89Å; Y491-R493 HydrophobicContact CE1-CB 4.02Å; R493-Q495 PolarHBondContact O-N 2.96Å
494I90.9Very high90.1Very high8 Ų848.9 Ų48.94%0.04124%0.236CC..  trans-76.7118.1-175.2-65.5168.2000109.9Y423 P478 Y479 F480 Y492 F498Y423-I494 VanDerWaalsContact CB-CD1 3.46Å; Y423-I494 HydrophobicContact CD2-CD1 4.48Å; Y423-I494 HydrophobicContact CD2-CG2 3.67Å; Y423-I494 HydrophobicContact CE2-CG2 3.87Å; Y423-I494 HydrophobicContact CG-CD1 4.02Å; Y423-I494 HydrophobicContact CG-CG2 4.12Å; P478-I494 HydrophobicContact CB-CB 4.01Å; P478-I494 HydrophobicContact CB-CG2 4.36Å; P478-I494 PolarHBondContact O-N 3.26Å; Y479-I494 VanDerWaalsContact C-CD1 3.41Å; F480-I494 HydrophobicContact CB-CD1 4.18Å; Y492-I494 HydrophobicContact CD1-CG1 3.76Å; Y492-I494 HydrophobicContact CE1-CB 4.45Å; Y492-I494 HydrophobicContact CE1-CG1 3.98Å; Y492-I494 PolarHBondContact O-N 3.18Å; I494-F498 HydrophobicContact CB-CB 4.45Å; I494-F498 HydrophobicContact CD1-CB 3.87Å; I494-F498 HydrophobicContact CD1-CD1 3.85Å; I494-F498 HydrophobicContact CD1-CD2 3.65Å; I494-F498 HydrophobicContact CD1-CE1 4.3Å; I494-F498 HydrophobicContact CD1-CE2 4.05Å; I494-F498 HydrophobicContact CD1-CG 3.52Å; I494-F498 HydrophobicContact CD1-CZ 4.4Å; I494-F498 HydrophobicContact CG1-CB 4.04Å; I494-F498 HydrophobicContact CG1-CD2 3.58Å; I494-F498 HydrophobicContact CG1-CE2 4.14Å; I494-F498 HydrophobicContact CG1-CG 3.86Å; I494-F498 HydrophobicContact CG2-CB 3.6Å; I494-F498 HydrophobicContact CG2-CG 4.38Å
495Q82.5Confident90.1Very high165 Ų16552.2 Ų52.277%0.77125%0.252SS*.  trans-89.3-60.1178.5-59.2-172.26.500112R493R493-Q495 PolarHBondContact O-N 2.96Å
496K80.3Confident90.3Very high181 Ų18149.4 Ų49.479%0.78724%0.237SC*.SBendtrans-150.3148.4178.4-65.6-177.1-176.7172.10109.6
497N81.3Confident90.6Very high137 Ų13746.8 Ų46.873%0.73322%0.219SC*.  trans49.960.9169.6-65.7-15000116.2
498F88.4Confident91Very high11 Ų1146.6 Ų46.65%0.04822%0.217CC..  trans-83.6135.5172.6-176.8-90000112.5R421 Y423 M458 F480 Y492 I494 L500 F502R421-F498 HydrophobicContact CG-CD1 4.2Å; R421-F498 HydrophobicContact CG-CE1 3.82Å; Y423-F498 HydrophobicContact CD1-CB 3.77Å; Y423-F498 HydrophobicContact CD1-CD1 4.25Å; Y423-F498 HydrophobicContact CD1-CG 4.46Å; Y423-F498 HydrophobicContact CE1-CB 3.82Å; Y423-F498 WeakPolarHBondContact CE1-O 3.35Å; Y423-F498 HydrophobicContact CG-CB 4.28Å; M458-F498 HydrophobicContact CE-CD2 3.72Å; M458-F498 HydrophobicContact CE-CE2 3.27Å; M458-F498 HydrophobicContact CE-CZ 4.26Å; M458-F498 HydrophobicContact SD-CD2 3.85Å; M458-F498 HydrophobicContact SD-CE2 4Å; F480-F498 HydrophobicContact CB-CE1 4.31Å; F480-F498 HydrophobicContact CB-CE2 3.57Å; F480-F498 HydrophobicContact CB-CZ 3.44Å; F480-F498 VanDerWaalsContact CB-CZ 3.44Å; F480-F498 HydrophobicContact CD1-CZ 4.17Å; F480-F498 AromaticContact CD2-CE1 4Å; F480-F498 HydrophobicContact CD2-CE1 4Å; F480-F498 HydrophobicContact CD2-CE2 4.39Å; F480-F498 AromaticContact CD2-CZ 3.45Å; F480-F498 HydrophobicContact CD2-CZ 3.45Å; F480-F498 VanDerWaalsContact CD2-CZ 3.45Å; F480-F498 HydrophobicContact CE2-CZ 4.23Å; F480-F498 HydrophobicContact CG-CE1 4.33Å; F480-F498 AromaticContact CG-CE2 3.92Å; F480-F498 HydrophobicContact CG-CE2 3.92Å; F480-F498 AromaticContact CG-CZ 3.4Å; F480-F498 HydrophobicContact CG-CZ 3.4Å; F480-F498 VanDerWaalsContact CG-CZ 3.4Å; Y492-F498 HydrophobicContact CD1-CD2 4.05Å; Y492-F498 HydrophobicContact CD1-CE2 4.05Å; Y492-F498 HydrophobicContact CE1-CD2 4.09Å; I494-F498 HydrophobicContact CB-CB 4.45Å; I494-F498 HydrophobicContact CD1-CB 3.87Å; I494-F498 HydrophobicContact CD1-CD1 3.85Å; I494-F498 HydrophobicContact CD1-CD2 3.65Å; I494-F498 HydrophobicContact CD1-CE1 4.3Å; I494-F498 HydrophobicContact CD1-CE2 4.05Å; I494-F498 HydrophobicContact CD1-CG 3.52Å; I494-F498 HydrophobicContact CD1-CZ 4.4Å; I494-F498 HydrophobicContact CG1-CB 4.04Å; I494-F498 HydrophobicContact CG1-CD2 3.58Å; I494-F498 HydrophobicContact CG1-CE2 4.14Å; I494-F498 HydrophobicContact CG1-CG 3.86Å; I494-F498 HydrophobicContact CG2-CB 3.6Å; I494-F498 HydrophobicContact CG2-CG 4.38Å; F498-L500 PolarHBondContact O-N 2.72Å; F498-F502 HydrophobicContact CE1-CB 3.72Å; F498-F502 HydrophobicContact CE1-CG 4.47Å; F498-F502 HydrophobicContact CE2-CB 4.4Å; F498-F502 HydrophobicContact CE2-CD1 4.16Å; F498-F502 HydrophobicContact CE2-CG 4.33Å; F498-F502 HydrophobicContact CZ-CB 3.55Å; F498-F502 AromaticContact CZ-CD1 3.66Å; F498-F502 HydrophobicContact CZ-CD1 3.66Å; F498-F502 AromaticContact CZ-CG 3.81Å; F498-F502 HydrophobicContact CZ-CG 3.81Å
499P89.4Confident91.1Very high30 Ų3045 Ų4520%0.19521%0.212CC..  trans-65123.3177.210.6-9.6000110.9Q501 F502P499-Q501 PolarHBondContact O-N 3.17Å; P499-F502 HydrophobicContact CB-CB 4.28Å; P499-F502 HydrophobicContact CG-CB 4Å; P499-F502 HydrophobicContact CG-CD2 4.1Å; P499-F502 HydrophobicContact CG-CG 4.4Å; P499-F502 WeakPolarHBondContact O-CB 3.42Å; P499-F502 PolarHBondContact O-N 3.18Å
500L89.1Confident90.9Very high71 Ų7151.3 Ų51.337%0.37224%0.241SC..THydrogen-bonded Turntrans-63.5-33.2-174.9-62.9-178.3000111.7R421 Y423 R424 F498R421-L500 VanDerWaalsContact CD-O 3.29Å; R421-L500 WeakPolarHBondContact CD-O 3.39Å; R421-L500 PolarHBondContact NH1-O 2.79Å; Y423-L500 HydrophobicContact CD1-CD2 3.84Å; Y423-L500 HydrophobicContact CE1-CD2 4.13Å; R424-L500 HydrophobicContact CB-CD2 4.32Å; F498-L500 PolarHBondContact O-N 2.72Å
501Q90.1Very high90.6Very high36 Ų3654.2 Ų54.217%0.16827%0.266CS..THydrogen-bonded Turntrans-93.49.4-179.1-52.4-59.6-3.100113.8P499 G503 R504 E505P499-Q501 PolarHBondContact O-N 3.17Å; Q501-G503 PolarHBondContact O-N 3.14Å; Q501-G503 VanDerWaalsContact O-N 3.16Å; Q501-R504 CarbonylContact O-C 3.56Å; Q501-R504 WeakPolarHBondContact O-CA 3.03Å; Q501-R504 WeakPolarHBondContact O-CB 3.41Å; Q501-R504 PolarHBondContact O-N 3.14Å; Q501-E505 HydrophobicContact CB-CG 3.99Å; Q501-E505 PolarHBondContact O-N 3.14Å
502F93.9Very high90.5Very high0 Ų054.2 Ų54.20%027%0.266CS..Hα-helixtrans-45.1-54.8-172.6-177.2-108.5000114.2F449 Q452 A453 M458 F480 F498 P499 R504 E505 V506F449-F502 AromaticContact CD1-CE1 3.99Å; F449-F502 HydrophobicContact CD1-CE1 3.99Å; F449-F502 HydrophobicContact CD1-CZ 4.47Å; F449-F502 HydrophobicContact CE1-CE1 4.32Å; Q452-F502 HydrophobicContact CB-CE2 4.39Å; Q452-F502 HydrophobicContact CG-CE2 4.48Å; A453-F502 HydrophobicContact CB-CZ 3.92Å; M458-F502 HydrophobicContact CE-CD1 4.21Å; M458-F502 HydrophobicContact CE-CD2 4.35Å; M458-F502 HydrophobicContact CE-CE1 3.98Å; M458-F502 HydrophobicContact CE-CE2 4.13Å; M458-F502 HydrophobicContact CE-CG 4.39Å; M458-F502 HydrophobicContact CE-CZ 3.96Å; F480-F502 AromaticContact CD1-CD1 3.96Å; F480-F502 HydrophobicContact CD1-CD1 3.96Å; F480-F502 HydrophobicContact CD1-CE1 4.06Å; F480-F502 HydrophobicContact CD2-CD1 4.45Å; F480-F502 AromaticContact CE1-CD1 3.64Å; F480-F502 HydrophobicContact CE1-CD1 3.64Å; F480-F502 AromaticContact CE1-CE1 3.7Å; F480-F502 HydrophobicContact CE1-CE1 3.7Å; F480-F502 HydrophobicContact CE2-CD1 4.16Å; F480-F502 HydrophobicContact CG-CD1 4.35Å; F480-F502 AromaticContact CZ-CD1 3.76Å; F480-F502 HydrophobicContact CZ-CD1 3.76Å; F480-F502 HydrophobicContact CZ-CE1 4.21Å; F498-F502 HydrophobicContact CE1-CB 3.72Å; F498-F502 HydrophobicContact CE1-CG 4.47Å; F498-F502 HydrophobicContact CE2-CB 4.4Å; F498-F502 HydrophobicContact CE2-CD1 4.16Å; F498-F502 HydrophobicContact CE2-CG 4.33Å; F498-F502 HydrophobicContact CZ-CB 3.55Å; F498-F502 AromaticContact CZ-CD1 3.66Å; F498-F502 HydrophobicContact CZ-CD1 3.66Å; F498-F502 AromaticContact CZ-CG 3.81Å; F498-F502 HydrophobicContact CZ-CG 3.81Å; P499-F502 HydrophobicContact CB-CB 4.28Å; P499-F502 HydrophobicContact CG-CB 4Å; P499-F502 HydrophobicContact CG-CD2 4.1Å; P499-F502 HydrophobicContact CG-CG 4.4Å; P499-F502 WeakPolarHBondContact O-CB 3.42Å; P499-F502 PolarHBondContact O-N 3.18Å; F502-R504 PolarHBondContact O-N 3.32Å; F502-E505 PolarHBondContact O-N 2.71Å; F502-E505 VanDerWaalsContact O-N 3.11Å; F502-V506 HydrophobicContact CD1-CG2 4.41Å; F502-V506 HydrophobicContact CD2-CG2 4.34Å; F502-V506 HydrophobicContact CE1-CG2 4.02Å; F502-V506 HydrophobicContact CE2-CG2 3.94Å; F502-V506 HydrophobicContact CZ-CG2 3.76Å; F502-V506 WeakPolarHBondContact O-CG2 3.42Å; F502-V506 PolarHBondContact O-N 3.24Å
503G93.8Very high90.5Very high2 Ų253.1 Ų53.12%0.02126%0.262CS..Hα-helixtrans-59.8-32.3179.400000113.8Q501 L507Q501-G503 PolarHBondContact O-N 3.14Å; Q501-G503 VanDerWaalsContact O-N 3.16Å; G503-L507 WeakPolarHBondContact O-CD1 3.02Å; G503-L507 VanDerWaalsContact O-CG 3.27Å; G503-L507 WeakPolarHBondContact O-CG 3.24Å; G503-L507 PolarHBondContact O-N 3.08Å
504R94.5Very high90.4Very high9 Ų950.6 Ų50.63%0.03426%0.259CS..Hα-helixtrans-78.2-38.9174.4-66.4-179.460.1113.42.5112.4G369 L371 F419 Q501 F502 V506 L507 A508 R518 A519G369-R504 PolarHBondContact O-NH1 2.96Å; G369-R504 VanDerWaalsContact O-NH1 3.09Å; G369-R504 PolarHBondContact O-NH2 2.85Å; L371-R504 HydrophobicContact CD1-CB 4.13Å; L371-R504 HydrophobicContact CD1-CG 4.11Å; F419-R504 HydrophobicContact CZ-CG 3.92Å; Q501-R504 CarbonylContact O-C 3.56Å; Q501-R504 WeakPolarHBondContact O-CA 3.03Å; Q501-R504 WeakPolarHBondContact O-CB 3.41Å; Q501-R504 PolarHBondContact O-N 3.14Å; F502-R504 PolarHBondContact O-N 3.32Å; R504-V506 VanDerWaalsContact C-N 3.34Å; R504-L507 PolarHBondContact O-N 2.94Å; R504-A508 WeakPolarHBondContact O-CB 3.43Å; R504-A508 PolarHBondContact O-N 2.8Å; R504-R518 PolarHBondContact NH2-O 3.42Å; R504-A519 PolarHBondContact NE-O 3.38Å
505E93.1Very high90.4Very high70 Ų7052.2 Ų52.233%0.32727%0.268SS..Hα-helixtrans-59.8-44177-73.2165.9-175.500110.9Q501 F502 A508 S509 A519Q501-E505 HydrophobicContact CB-CG 3.99Å; Q501-E505 PolarHBondContact O-N 3.14Å; F502-E505 PolarHBondContact O-N 2.71Å; F502-E505 VanDerWaalsContact O-N 3.11Å; E505-A508 PolarHBondContact O-N 3.36Å; E505-S509 PolarHBondContact O-N 2.91Å; E505-S509 VanDerWaalsContact O-N 3.11Å; E505-A519 HydrophobicContact CG-CB 4.02Å
506V94.9Very high90.6Very high0 Ų048.4 Ų48.40%026%0.257CS..Hα-helixtrans-61.3-51.5175.6-179.40000110.6A448 F449 Q452 F502 R504 A508 S509A448-V506 HydrophobicContact CB-CG1 4.03Å; F449-V506 HydrophobicContact CB-CG1 4.36Å; F449-V506 HydrophobicContact CD1-CB 4.01Å; F449-V506 HydrophobicContact CD1-CG1 3.8Å; F449-V506 HydrophobicContact CD1-CG2 3.64Å; F449-V506 HydrophobicContact CD2-CG1 3.74Å; F449-V506 HydrophobicContact CE1-CB 3.76Å; F449-V506 HydrophobicContact CE1-CG1 3.88Å; F449-V506 HydrophobicContact CE1-CG2 3.67Å; F449-V506 HydrophobicContact CE2-CB 4.41Å; F449-V506 HydrophobicContact CE2-CG1 3.82Å; F449-V506 HydrophobicContact CG-CB 4.44Å; F449-V506 HydrophobicContact CG-CG1 3.71Å; F449-V506 HydrophobicContact CG-CG2 4.33Å; F449-V506 HydrophobicContact CZ-CB 3.97Å; F449-V506 HydrophobicContact CZ-CG1 3.88Å; F449-V506 HydrophobicContact CZ-CG2 4.39Å; Q452-V506 HydrophobicContact CB-CG2 4.28Å; Q452-V506 VanDerWaalsContact OE1-N 3.12Å; F502-V506 HydrophobicContact CD1-CG2 4.41Å; F502-V506 HydrophobicContact CD2-CG2 4.34Å; F502-V506 HydrophobicContact CE1-CG2 4.02Å; F502-V506 HydrophobicContact CE2-CG2 3.94Å; F502-V506 HydrophobicContact CZ-CG2 3.76Å; F502-V506 WeakPolarHBondContact O-CG2 3.42Å; F502-V506 PolarHBondContact O-N 3.24Å; R504-V506 VanDerWaalsContact C-N 3.34Å; V506-A508 VanDerWaalsContact C-N 3.32Å; V506-A508 PolarHBondContact O-N 2.85Å; V506-S509 WeakPolarHBondContact O-CB 3.32Å; V506-S509 PolarHBondContact O-N 2.92Å; V506-S509 PolarHBondContact O-OG 3.41Å
507L95.4Very high90.8Very high0 Ų045.4 Ų45.40%025%0.254CS..Hα-helixtrans-70.2-28.8-176.7-66174.7000112.8L371 I417 F419 V433 V435 I445 F449 G503 R504 S509 V512 L513L371-L507 HydrophobicContact CD1-CB 3.97Å; L371-L507 HydrophobicContact CD1-CD1 4.49Å; I417-L507 HydrophobicContact CG2-CD1 4.48Å; I417-L507 HydrophobicContact CG2-CD2 4.22Å; F419-L507 HydrophobicContact CD1-CD1 4Å; F419-L507 HydrophobicContact CE1-CD1 3.8Å; V433-L507 HydrophobicContact CB-CD1 3.73Å; V433-L507 HydrophobicContact CG1-CD1 3.99Å; V433-L507 HydrophobicContact CG2-CD1 3.71Å; V435-L507 HydrophobicContact CG2-CD2 4.35Å; I445-L507 HydrophobicContact CG2-CD2 4.37Å; F449-L507 HydrophobicContact CE2-CD2 4.08Å; F449-L507 HydrophobicContact CE2-CG 4.48Å; F449-L507 HydrophobicContact CZ-CD2 4.33Å; F449-L507 HydrophobicContact CZ-CG 4.25Å; G503-L507 WeakPolarHBondContact O-CD1 3.02Å; G503-L507 VanDerWaalsContact O-CG 3.27Å; G503-L507 WeakPolarHBondContact O-CG 3.24Å; G503-L507 PolarHBondContact O-N 3.08Å; R504-L507 PolarHBondContact O-N 2.94Å; L507-S509 VanDerWaalsContact C-N 3.3Å; L507-V512 HydrophobicContact CD2-CG1 4.02Å; L507-V512 WeakPolarHBondContact O-CB 3.44Å; L507-L513 WeakPolarHBondContact O-CB 3.27Å; L507-L513 WeakPolarHBondContact O-CD1 3.46Å; L507-L513 VanDerWaalsContact O-CG 3.22Å; L507-L513 WeakPolarHBondContact O-CG 3.3Å; L507-L513 PolarHBondContact O-N 3.05Å
508A94.1Very high91.1Very high1 Ų142.7 Ų42.71%0.00823%0.234CC..Hα-helixtrans-78.4-14.3175.900000113.4L371 R504 E505 V506 I515 A519L371-A508 HydrophobicContact CD2-CB 4.01Å; R504-A508 WeakPolarHBondContact O-CB 3.43Å; R504-A508 PolarHBondContact O-N 2.8Å; E505-A508 PolarHBondContact O-N 3.36Å; V506-A508 VanDerWaalsContact C-N 3.32Å; V506-A508 PolarHBondContact O-N 2.85Å; A508-I515 HydrophobicContact CB-CG1 4.3Å; A508-I515 CarbonylContact O-C 3.51Å; A508-I515 VanDerWaalsContact O-C 3.25Å; A508-I515 PolarHBondContact O-N 2.83Å; A508-A519 HydrophobicContact CB-CB 4.08Å
509S92.9Very high90.8Very high24 Ų2443.1 Ų43.117%0.16824%0.239CC..SBendtrans-57.8160-178.473.50000112.6E505 V506 L507 A511 V512 L513 N514E505-S509 PolarHBondContact O-N 2.91Å; E505-S509 VanDerWaalsContact O-N 3.11Å; V506-S509 WeakPolarHBondContact O-CB 3.32Å; V506-S509 PolarHBondContact O-N 2.92Å; V506-S509 PolarHBondContact O-OG 3.41Å; L507-S509 VanDerWaalsContact C-N 3.3Å; S509-A511 PolarHBondContact O-N 2.47Å; S509-V512 PolarHBondContact O-N 3.29Å; S509-V512 VanDerWaalsContact O-N 3.13Å; S509-L513 PolarHBondContact O-N 2.98Å; S509-N514 WeakPolarHBondContact O-CA 3.27Å; S509-N514 PolarHBondContact O-N 2.61Å
510E88.6Confident90.5Very high156 Ų15644.5 Ų44.573%0.72925%0.245SC*.THydrogen-bonded Turntrans-55.9-34.8176.9-171.7172.4179.800112.6V512E510-V512 VanDerWaalsContact C-N 3.27Å; E510-V512 PolarHBondContact O-N 2.67Å
511A88.7Confident90Very high62 Ų6244.9 Ų44.951%0.51224%0.241SC..THydrogen-bonded Turntrans-66.9-23.6-179.600000113.8A448 S509A448-A511 HydrophobicContact CB-CB 4.38Å; S509-A511 PolarHBondContact O-N 2.47Å
512V92.8Very high89.5Confident2 Ų248.6 Ų48.61%0.01226%0.257CS..THydrogen-bonded Turntrans-114.8-74.5-172.7-1720000112.3V435 I445 A448 L507 S509 E510V435-V512 HydrophobicContact CG1-CG1 3.9Å; V435-V512 HydrophobicContact CG2-CG1 4.1Å; I445-V512 HydrophobicContact CG1-CG1 4.19Å; I445-V512 HydrophobicContact CG1-CG2 4.48Å; A448-V512 HydrophobicContact CB-CG2 3.95Å; L507-V512 HydrophobicContact CD2-CG1 4.02Å; L507-V512 WeakPolarHBondContact O-CB 3.44Å; S509-V512 PolarHBondContact O-N 3.29Å; S509-V512 VanDerWaalsContact O-N 3.13Å; E510-V512 VanDerWaalsContact C-N 3.27Å; E510-V512 PolarHBondContact O-N 2.67Å
513L92.8Very high88.7Confident9 Ų955.8 Ų55.85%0.04729%0.291CS..THydrogen-bonded Turntrans-106.1-14.2-178-66173000113.6L371 T372 V433 V435 R439 L507 S509 I515L371-L513 HydrophobicContact CB-CD1 4.23Å; T372-L513 HydrophobicContact CG2-CD1 3.78Å; T372-L513 HydrophobicContact CG2-CD2 4.03Å; V433-L513 HydrophobicContact CG1-CD1 4.29Å; V435-L513 HydrophobicContact CG1-CD2 4.17Å; V435-L513 HydrophobicContact CG2-CD2 4.41Å; R439-L513 PolarHBondContact NH1-O 3Å; L507-L513 WeakPolarHBondContact O-CB 3.27Å; L507-L513 WeakPolarHBondContact O-CD1 3.46Å; L507-L513 VanDerWaalsContact O-CG 3.22Å; L507-L513 WeakPolarHBondContact O-CG 3.3Å; L507-L513 PolarHBondContact O-N 3.05Å; S509-L513 PolarHBondContact O-N 2.98Å; L513-I515 HydrophobicContact CB-CD1 3.76Å; L513-I515 HydrophobicContact CB-CG1 3.58Å; L513-I515 HydrophobicContact CD1-CD1 3.88Å; L513-I515 HydrophobicContact CG-CD1 4.45Å
514N91.9Very high88Confident88 Ų8856.2 Ų56.247%0.47129%0.293SS..  trans51.853.4-176.9-165.910.3000113.3S509S509-N514 WeakPolarHBondContact O-CA 3.27Å; S509-N514 PolarHBondContact O-N 2.61Å
515I90.9Very high87.2Confident42 Ų4263.2 Ų63.222%0.21532%0.324CS..  trans-139.356.1-179.850.2169.9000110.3L371 A508 L513 T517 R518L371-I515 HydrophobicContact CB-CD1 4.41Å; L371-I515 HydrophobicContact CD2-CD1 4.19Å; L371-I515 VanDerWaalsContact O-CD1 3.26Å; L371-I515 WeakPolarHBondContact O-CD1 3.43Å; A508-I515 HydrophobicContact CB-CG1 4.3Å; A508-I515 CarbonylContact O-C 3.51Å; A508-I515 VanDerWaalsContact O-C 3.25Å; A508-I515 PolarHBondContact O-N 2.83Å; L513-I515 HydrophobicContact CB-CD1 3.76Å; L513-I515 HydrophobicContact CB-CG1 3.58Å; L513-I515 HydrophobicContact CD1-CD1 3.88Å; L513-I515 HydrophobicContact CG-CD1 4.45Å; I515-T517 PolarHBondContact O-N 3.37Å; I515-R518 HydrophobicContact CB-CB 4.42Å; I515-R518 HydrophobicContact CB-CG 4.32Å; I515-R518 HydrophobicContact CD1-CB 4.18Å; I515-R518 HydrophobicContact CG1-CB 4.48Å; I515-R518 PolarHBondContact O-N 2.97Å
516P87Confident86.8Confident86 Ų8662.6 Ų62.656%0.55832%0.321SS*.G310 helixtrans-58.6-27.3-171.323.8-35000113.3R518 A519P516-R518 PolarHBondContact O-N 3.22Å; P516-A519 WeakPolarHBondContact O-CB 3.48Å; P516-A519 PolarHBondContact O-N 2.94Å
517T84.4Confident86.5Confident117 Ų11764.9 Ų64.972%0.71834%0.337SS*.G310 helixtrans-65.4-18.1175.655.10000113.8I515I515-T517 PolarHBondContact O-N 3.37Å
518R86.2Confident86.2Confident81 Ų8172 Ų7231%0.30636%0.364SS..G310 helixtrans-95.73.9-179.6-58.5-171.175108.9-2.4114.6P370 L371 R504 I515 P516 D520 C524P370-R518 PolarHBondContact O-NE 3.17Å; P370-R518 VanDerWaalsContact O-NE 3.12Å; P370-R518 PolarHBondContact O-NH2 2.61Å; L371-R518 HydrophobicContact CD2-CB 4.03Å; L371-R518 VanDerWaalsContact CD2-O 3.28Å; L371-R518 WeakPolarHBondContact CD2-O 3.47Å; R504-R518 PolarHBondContact NH2-O 3.42Å; I515-R518 HydrophobicContact CB-CB 4.42Å; I515-R518 HydrophobicContact CB-CG 4.32Å; I515-R518 HydrophobicContact CD1-CB 4.18Å; I515-R518 HydrophobicContact CG1-CB 4.48Å; I515-R518 PolarHBondContact O-N 2.97Å; P516-R518 PolarHBondContact O-N 3.22Å; R518-D520 PolarHBondContact O-N 3.42Å; R518-C524 WeakPolarHBondContact CA-SG 2.94Å
519A82.3Confident86Confident19 Ų1977.9 Ų77.916%0.15739%0.391CS..SBendtrans-59-45.6177.900000111.9R504 E505 A508 P516R504-A519 PolarHBondContact NE-O 3.38Å; E505-A519 HydrophobicContact CG-CB 4.02Å; A508-A519 HydrophobicContact CB-CB 4.08Å; P516-A519 WeakPolarHBondContact O-CB 3.48Å; P516-A519 PolarHBondContact O-N 2.94Å
520D83.6Confident85.9Confident60 Ų6081.5 Ų81.532%0.32141%0.405SS..SBendtrans-88116.5170.5-165.6-11.8000110.9R518 K522 E523R518-D520 PolarHBondContact O-N 3.42Å; D520-K522 PolarHBondContact O-N 3.39Å; D520-K522 WeakPolarHBondContact OD1-CB 3.39Å; D520-K522 PolarHBondContact OD1-N 2.9Å; D520-E523 HydrophobicContact CB-CG 4.16Å; D520-E523 PolarHBondContact O-N 3.41Å
521W77.5Confident86Confident78 Ų7874.3 Ų74.330%0.29537%0.372SS..G310 helixtrans-62-25.3177.772.2-90.2000112.8K368 E523 C524K368-W521 HydrophobicContact CD-CZ3 4.26Å; K368-W521 HydrophobicContact CG-CE3 4.38Å; K368-W521 HydrophobicContact CG-CZ3 4.3Å; W521-E523 PolarHBondContact O-N 3.07Å; W521-C524 PolarHBondContact O-N 3.37Å
522K79.3Confident86.1Confident114 Ų11474.4 Ų74.450%0.49636%0.364SS..G310 helixtrans-67.7-25.1179.4-70-178.2178177.60113.2D520 C524 K525D520-K522 PolarHBondContact O-N 3.39Å; D520-K522 WeakPolarHBondContact OD1-CB 3.39Å; D520-K522 PolarHBondContact OD1-N 2.9Å; K522-C524 VanDerWaalsContact C-N 3.3Å; K522-K525 WeakPolarHBondContact O-CE 3.42Å; K522-K525 WeakPolarHBondContact O-CG 3.24Å
523E77.8Confident86.1Confident152 Ų15279.7 Ų79.771%0.7139%0.392SS*.G310 helixtrans-85.3-8.6175.5-58.7-57.5132.700111.5D520 W521D520-E523 HydrophobicContact CB-CG 4.16Å; D520-E523 PolarHBondContact O-N 3.41Å; W521-E523 PolarHBondContact O-N 3.07Å
524C79.5Confident86.1Confident11 Ų1180.9 Ų80.97%0.07440%0.401CS..SBendtrans-104.729.6-180-58.80000113.1G369 R518 W521 K522 Q526G369-C524 VanDerWaalsContact CA-O 3.29Å; G369-C524 WeakPolarHBondContact CA-O 3.32Å; R518-C524 WeakPolarHBondContact CA-SG 2.94Å; W521-C524 PolarHBondContact O-N 3.37Å; K522-C524 VanDerWaalsContact C-N 3.3Å; C524-Q526 PolarHBondContact O-N 3.08Å
525K77.1Confident86.1Confident156 Ų15676.8 Ų76.868%0.67838%0.379SS*.PPolyproline II helixtrans-64126.8-178.5-72.2172.3-172.8173.50110.5K522K522-K525 WeakPolarHBondContact O-CE 3.42Å; K522-K525 WeakPolarHBondContact O-CG 3.24Å
526Q85Confident86.2Confident57 Ų5781 Ų8127%0.26640%0.396SS..PPolyproline II helixtrans-103159.3171.7-67178.8-84.300109C524 E530 E531C524-Q526 PolarHBondContact O-N 3.08Å; Q526-E530 WeakPolarHBondContact CA-OE2 3.45Å; Q526-E530 HydrophobicContact CB-CB 4.17Å; Q526-E530 WeakPolarHBondContact CB-OE2 3.47Å; Q526-E531 HydrophobicContact CB-CG 4.08Å
527S89.1Confident86.5Confident47 Ų4783.2 Ų83.233%0.32940%0.399SS..PPolyproline II helixtrans-69.4162.2170.195.10000110.1E529 E530 E531S527-E529 VanDerWaalsContact C-N 3.25Å; S527-E529 VanDerWaalsContact CB-OE2 3.29Å; S527-E529 WeakPolarHBondContact CB-OE2 3.35Å; S527-E529 PolarHBondContact O-N 3.44Å; S527-E529 PolarHBondContact OG-N 3.25Å; S527-E529 PolarHBondContact OG-OE2 3.28Å; S527-E530 PolarHBondContact N-OE2 3.04Å; S527-E530 PolarHBondContact O-N 3.35Å; S527-E530 PolarHBondContact OG-N 2.87Å; S527-E531 WeakPolarHBondContact O-CG 3.39Å; S527-E531 PolarHBondContact O-N 3.47Å
528R88.7Confident87Confident151 Ų15178 Ų7857%0.5737%0.366SS*.Hα-helixtrans-63.9-36.3178.1-176.6173.9-179.9173.81.3111.4E531 D532R528-E531 WeakPolarHBondContact O-CB 3.41Å; R528-E531 PolarHBondContact O-N 3.03Å; R528-D532 WeakPolarHBondContact O-CB 3.44Å; R528-D532 VanDerWaalsContact O-CG 3.29Å; R528-D532 PolarHBondContact O-N 3.14Å
529E90.2Very high87.3Confident124 Ų12478.7 Ų78.758%0.57937%0.369SS*.Hα-helixtrans-64.6-43.5177.6-57.275.7-164.500111.3S527 E531 D532 D533S527-E529 VanDerWaalsContact C-N 3.25Å; S527-E529 VanDerWaalsContact CB-OE2 3.29Å; S527-E529 WeakPolarHBondContact CB-OE2 3.35Å; S527-E529 PolarHBondContact O-N 3.44Å; S527-E529 PolarHBondContact OG-N 3.25Å; S527-E529 PolarHBondContact OG-OE2 3.28Å; E529-E531 VanDerWaalsContact C-N 3.33Å; E529-E531 PolarHBondContact O-N 3.42Å; E529-D532 PolarHBondContact O-N 3.33Å; E529-D533 PolarHBondContact O-N 3.36Å
530E90.3Very high87.9Confident100 Ų10082.2 Ų82.247%0.46739%0.385SS..Hα-helixtrans-63.9-38.6175.3-67176.1145.900112.2Q526 S527 S534Q526-E530 WeakPolarHBondContact CA-OE2 3.45Å; Q526-E530 HydrophobicContact CB-CB 4.17Å; Q526-E530 WeakPolarHBondContact CB-OE2 3.47Å; S527-E530 PolarHBondContact N-OE2 3.04Å; S527-E530 PolarHBondContact O-N 3.35Å; S527-E530 PolarHBondContact OG-N 2.87Å; E530-S534 VanDerWaalsContact O-CB 3.28Å; E530-S534 WeakPolarHBondContact O-CB 3.47Å; E530-S534 PolarHBondContact O-N 3.44Å; E530-S534 PolarHBondContact O-OG 3.47Å
531E91.9Very high88.4Confident5 Ų582 Ų822%0.02338%0.384CS..Hα-helixtrans-63.8-44.2174-76.6-179.6170.900111.5H353 L354 K368 Q526 S527 R528 E529 S534 C535H353-E531 IonicContact CD2-OE2 2.65Å; H353-E531 IonicContact CE1-OE2 3.09Å; H353-E531 IonicContact NE2-OE2 2.58Å; H353-E531 PolarHBondContact NE2-OE2 2.9Å; L354-E531 HydrophobicContact CD2-CB 3.78Å; L354-E531 HydrophobicContact CD2-CG 4.05Å; K368-E531 WeakPolarHBondContact CE-OE1 3.43Å; Q526-E531 HydrophobicContact CB-CG 4.08Å; S527-E531 WeakPolarHBondContact O-CG 3.39Å; S527-E531 PolarHBondContact O-N 3.47Å; R528-E531 WeakPolarHBondContact O-CB 3.41Å; R528-E531 PolarHBondContact O-N 3.03Å; E529-E531 VanDerWaalsContact C-N 3.33Å; E529-E531 PolarHBondContact O-N 3.42Å; E531-S534 PolarHBondContact O-N 2.95Å; E531-C535 WeakPolarHBondContact O-CB 3.31Å; E531-C535 PolarHBondContact O-N 3.16Å
532D90.1Very high89.3Confident64 Ų6478.3 Ų78.334%0.34237%0.37SS..Hα-helixtrans-61.5-48.5177.9-78-20.5000111.6H353 R528 E529 C535 K536H353-D532 WeakPolarHBondContact CB-OD1 3.15Å; H353-D532 IonicContact CD2-OD1 3.98Å; H353-D532 PolarHBondContact CD2-OD1 2.93Å; H353-D532 IonicContact CG-OD1 3.7Å; R528-D532 WeakPolarHBondContact O-CB 3.44Å; R528-D532 VanDerWaalsContact O-CG 3.29Å; R528-D532 PolarHBondContact O-N 3.14Å; E529-D532 PolarHBondContact O-N 3.33Å; D532-C535 PolarHBondContact O-N 2.92Å; D532-K536 WeakPolarHBondContact O-CB 3.43Å; D532-K536 PolarHBondContact O-N 3.14Å
533D92.6Very high90Very high113 Ų11376.6 Ų76.660%0.60436%0.364SS*.Hα-helixtrans-64.7-43.4179.6-76.6-20.6000111.6E529 K536 Q537E529-D533 PolarHBondContact O-N 3.36Å; D533-K536 PolarHBondContact O-N 3.4Å; D533-Q537 WeakPolarHBondContact O-CB 3.37Å; D533-Q537 PolarHBondContact O-N 3.06Å
534S91.9Very high90.8Very high34 Ų3474.5 Ų74.524%0.23836%0.363CS..Hα-helixtrans-64.2-42.6177.4-59.30000111.6E530 E531 L538E530-S534 VanDerWaalsContact O-CB 3.28Å; E530-S534 WeakPolarHBondContact O-CB 3.47Å; E530-S534 PolarHBondContact O-N 3.44Å; E530-S534 PolarHBondContact O-OG 3.47Å; E531-S534 PolarHBondContact O-N 2.95Å; S534-L538 WeakPolarHBondContact O-CB 3.48Å; S534-L538 PolarHBondContact O-N 3.17Å
535C92.3Very high91.5Very high2 Ų277.8 Ų77.81%0.01438%0.375CS..Hα-helixtrans-65.1-42.3177.9-173.90000111.3H353 L354 L366 E531 D532 L538 R539H353-C535 PolarHBondContact O-SG 3.5Å; L354-C535 VanDerWaalsContact C-SG 3.55Å; L366-C535 HydrophobicContact CD2-CB 4.32Å; E531-C535 WeakPolarHBondContact O-CB 3.31Å; E531-C535 PolarHBondContact O-N 3.16Å; D532-C535 PolarHBondContact O-N 2.92Å; C535-L538 PolarHBondContact O-N 3.11Å; C535-R539 WeakPolarHBondContact O-CB 3.46Å; C535-R539 PolarHBondContact O-N 3.22Å
536K92.8Very high92.2Very high130 Ų13071 Ų7157%0.56535%0.346SS*.Hα-helixtrans-62.3-49176.5-174.9-178.7177.4-174.20111.6D532 D533 L538 R539 D540D532-K536 WeakPolarHBondContact O-CB 3.43Å; D532-K536 PolarHBondContact O-N 3.14Å; D533-K536 PolarHBondContact O-N 3.4Å; K536-L538 VanDerWaalsContact C-N 3.29Å; K536-L538 PolarHBondContact O-N 2.98Å; K536-R539 PolarHBondContact O-N 3.01Å; K536-R539 VanDerWaalsContact O-N 3.17Å; K536-D540 PolarHBondContact O-N 3.46Å
537Q94.2Very high92.6Very high132 Ų13271.3 Ų71.362%0.61735%0.346SS*.Hα-helixtrans-58.6-43.4177.4-175.8176.122.800111.4D533 D540 D541D533-Q537 WeakPolarHBondContact O-CB 3.37Å; D533-Q537 PolarHBondContact O-N 3.06Å; Q537-D540 PolarHBondContact O-N 3.02Å; Q537-D541 WeakPolarHBondContact O-CB 3.49Å; Q537-D541 PolarHBondContact O-N 3.45Å
538L94.1Very high92.5Very high8 Ų869.7 Ų69.74%0.04234%0.336CS..Hα-helixtrans-65.2-38.8177.8179.963.5000112.3V356 L366 R374 V376 F408 S534 C535 K536 D541 F542V356-L538 HydrophobicContact CG1-CG 4.32Å; V356-L538 HydrophobicContact CG2-CD2 3.77Å; V356-L538 HydrophobicContact CG2-CG 4.3Å; L366-L538 HydrophobicContact CD1-CD2 3.79Å; R374-L538 HydrophobicContact CB-CD1 4.19Å; R374-L538 HydrophobicContact CG-CD1 4.1Å; V376-L538 HydrophobicContact CG1-CD2 3.47Å; V376-L538 VanDerWaalsContact CG1-CD2 3.47Å; F408-L538 HydrophobicContact CE1-CD1 3.91Å; F408-L538 HydrophobicContact CZ-CD1 4.02Å; S534-L538 WeakPolarHBondContact O-CB 3.48Å; S534-L538 PolarHBondContact O-N 3.17Å; C535-L538 PolarHBondContact O-N 3.11Å; K536-L538 VanDerWaalsContact C-N 3.29Å; K536-L538 PolarHBondContact O-N 2.98Å; L538-D541 PolarHBondContact O-N 3.49Å; L538-F542 WeakPolarHBondContact O-CB 3.41Å; L538-F542 PolarHBondContact O-N 2.94Å
539R93.7Very high92.1Very high96 Ų9668.5 Ų68.536%0.36233%0.332SS..Hα-helixtrans-61.8-47.3176-172.6-176.2-68.71573.5111.1V355 V356 C535 K536 D541 F542 Q543V355-R539 PolarHBondContact O-NH2 3.03Å; V356-R539 HydrophobicContact CG1-CB 4.17Å; V356-R539 PolarHBondContact O-NE 3.41Å; V356-R539 VanDerWaalsContact O-NE 3.1Å; C535-R539 WeakPolarHBondContact O-CB 3.46Å; C535-R539 PolarHBondContact O-N 3.22Å; K536-R539 PolarHBondContact O-N 3.01Å; K536-R539 VanDerWaalsContact O-N 3.17Å; R539-D541 VanDerWaalsContact C-N 3.34Å; R539-D541 PolarHBondContact O-N 3.38Å; R539-F542 PolarHBondContact O-N 3.48Å; R539-Q543 WeakPolarHBondContact O-CB 3.31Å; R539-Q543 PolarHBondContact O-N 2.73Å
540D93.9Very high90.5Very high92 Ų9269.7 Ų69.749%0.49234%0.342SS..Hα-helixtrans-63.1-41.5178.7-63.8-16.7000111.2K536 Q537K536-D540 PolarHBondContact O-N 3.46Å; Q537-D540 PolarHBondContact O-N 3.02Å
541D94.6Very high88.5Confident55 Ų5574.1 Ų74.129%0.29437%0.369SS..Hα-helixtrans-68.4-36178.1-102-1.3000113.2F408 K412 Q537 L538 R539 P544F408-D541 HydrophobicContact CE2-CB 3.95Å; F408-D541 WeakPolarHBondContact CE2-O 3.42Å; F408-D541 HydrophobicContact CZ-CB 4.03Å; K412-D541 IonicContact NZ-OD1 2.79Å; K412-D541 PolarHBondContact NZ-OD1 2.99Å; K412-D541 IonicContact NZ-OD2 2.72Å; K412-D541 PolarHBondContact NZ-OD2 3.49Å; Q537-D541 WeakPolarHBondContact O-CB 3.49Å; Q537-D541 PolarHBondContact O-N 3.45Å; L538-D541 PolarHBondContact O-N 3.49Å; R539-D541 VanDerWaalsContact C-N 3.34Å; R539-D541 PolarHBondContact O-N 3.38Å; D541-P544 WeakPolarHBondContact O-CD 3.44Å
542F95.6Very high88.3Confident2 Ų277.6 Ų77.61%0.00939%0.386CS..Hα-helixtrans-85.4-21.3-177.3-176.5-113.5000113V356 L364 A404 L405 F408 L538 R539 P544 Y545 D546V356-F542 HydrophobicContact CG1-CD1 4.39Å; L364-F542 HydrophobicContact CD2-CD1 3.96Å; L364-F542 HydrophobicContact CD2-CE1 3.8Å; L364-F542 HydrophobicContact CD2-CZ 4.24Å; A404-F542 HydrophobicContact CB-CE2 4.2Å; A404-F542 HydrophobicContact CB-CZ 4Å; L405-F542 HydrophobicContact CD2-CD2 4.19Å; L405-F542 HydrophobicContact CD2-CE2 3.75Å; L405-F542 HydrophobicContact CD2-CZ 4.25Å; L405-F542 HydrophobicContact CG-CE2 4.28Å; F408-F542 HydrophobicContact CB-CD2 3.99Å; F408-F542 HydrophobicContact CB-CE2 4.2Å; F408-F542 HydrophobicContact CD1-CD2 4.01Å; F408-F542 HydrophobicContact CD2-CD2 4.31Å; F408-F542 AromaticContact CG-CD2 3.84Å; F408-F542 HydrophobicContact CG-CD2 3.84Å; L538-F542 WeakPolarHBondContact O-CB 3.41Å; L538-F542 PolarHBondContact O-N 2.94Å; R539-F542 PolarHBondContact O-N 3.48Å; F542-P544 VanDerWaalsContact C-N 3.31Å; F542-P544 VanDerWaalsContact O-N 3.09Å; F542-Y545 WeakPolarHBondContact O-CA 3.48Å; F542-Y545 PolarHBondContact O-N 3.31Å; F542-D546 HydrophobicContact CD1-CB 3.81Å; F542-D546 HydrophobicContact CE1-CB 3.62Å; F542-D546 HydrophobicContact CZ-CB 4.41Å; F542-D546 PolarHBondContact O-N 3.15Å; F542-D546 VanDerWaalsContact O-N 3.16Å
543Q93.8Very high88.2Confident77 Ų7778.3 Ų78.336%0.3639%0.389SS..G310 helixtrans-45.4-43.1-177.1-170.6-175.4-12.200114.7R539 Y545 D546 W549R539-Q543 WeakPolarHBondContact O-CB 3.31Å; R539-Q543 PolarHBondContact O-N 2.73Å; Q543-Y545 PolarHBondContact O-N 3.48Å; Q543-Y545 VanDerWaalsContact O-N 3.17Å; Q543-D546 PolarHBondContact O-N 2.96Å; Q543-W549 HydrophobicContact CG-CD2 3.87Å; Q543-W549 HydrophobicContact CG-CE3 4.39Å; Q543-W549 HydrophobicContact CG-CG 4.08Å; Q543-W549 HydrophobicContact CG-CZ2 4.33Å; Q543-W549 VanDerWaalsContact NE2-CE2 3.28Å; Q543-W549 VanDerWaalsContact NE2-NE1 3.12Å
544P94.9Very high88Confident108 Ų10876.4 Ų76.470%0.70138%0.377SS*.G310 helixtrans-66.5-16.8179.6-20.534.2000115D541 F542D541-P544 WeakPolarHBondContact O-CD 3.44Å; F542-P544 VanDerWaalsContact C-N 3.31Å; F542-P544 VanDerWaalsContact O-N 3.09Å
545Y94.6Very high87.7Confident80 Ų8078.9 Ų78.931%0.31439%0.385SS..G310 helixtrans-106.8-9.1-178.9-57.9-88.8000111.9A404 D407 F408 S411 F542 Q543 F547A404-Y545 VanDerWaalsContact CB-O 3.31Å; A404-Y545 WeakPolarHBondContact CB-O 3.3Å; D407-Y545 HydrophobicContact CB-CD1 3.93Å; D407-Y545 HydrophobicContact CB-CE1 4.07Å; F408-Y545 HydrophobicContact CB-CD1 4.33Å; F408-Y545 HydrophobicContact CB-CD2 3.98Å; F408-Y545 HydrophobicContact CB-CE2 4.41Å; F408-Y545 HydrophobicContact CB-CG 3.94Å; F408-Y545 AromaticContact CD2-CD2 3.72Å; F408-Y545 HydrophobicContact CD2-CD2 3.72Å; F408-Y545 AromaticContact CD2-CE2 3.84Å; F408-Y545 HydrophobicContact CD2-CE2 3.84Å; F408-Y545 HydrophobicContact CG-CD2 4.3Å; S411-Y545 WeakPolarHBondContact CB-OH 3.39Å; S411-Y545 PolarHBondContact OG-OH 3.39Å; S411-Y545 VanDerWaalsContact OG-OH 3.09Å; F542-Y545 WeakPolarHBondContact O-CA 3.48Å; F542-Y545 PolarHBondContact O-N 3.31Å; Q543-Y545 PolarHBondContact O-N 3.48Å; Q543-Y545 VanDerWaalsContact O-N 3.17Å; Y545-F547 PolarHBondContact O-N 2.92Å
546D92.8Very high87.5Confident13 Ų1383.7 Ų83.77%0.0741%0.408CS..  trans-79.6102.2-175.3-170.45000111.2S357 F542 Q543 A548 W549S357-D546 WeakPolarHBondContact CB-OD2 3.46Å; S357-D546 PolarHBondContact OG-OD1 3.11Å; S357-D546 PolarHBondContact OG-OD2 3.47Å; F542-D546 HydrophobicContact CD1-CB 3.81Å; F542-D546 HydrophobicContact CE1-CB 3.62Å; F542-D546 HydrophobicContact CZ-CB 4.41Å; F542-D546 PolarHBondContact O-N 3.15Å; F542-D546 VanDerWaalsContact O-N 3.16Å; Q543-D546 PolarHBondContact O-N 2.96Å; D546-A548 PolarHBondContact O-N 2.98Å; D546-A548 WeakPolarHBondContact OD1-CB 3.44Å; D546-A548 PolarHBondContact OD1-N 2.8Å; D546-W549 HydrophobicContact CB-CB 4.11Å; D546-W549 WeakPolarHBondContact O-CB 3.38Å; D546-W549 PolarHBondContact O-N 2.9Å
547F91.7Very high87.1Confident64 Ų6480.6 Ų80.628%0.28140%0.398SS..THydrogen-bonded Turntrans-65.8-18.9177.371.2-93.5000113.2E397 K400 Y401 Y545 W549E397-F547 HydrophobicContact CG-CE2 4.27Å; E397-F547 HydrophobicContact CG-CZ 3.98Å; K400-F547 HydrophobicContact CB-CD1 3.97Å; K400-F547 HydrophobicContact CB-CE1 3.56Å; K400-F547 HydrophobicContact CB-CE2 4.34Å; K400-F547 HydrophobicContact CB-CZ 3.77Å; K400-F547 HydrophobicContact CD-CD2 4.34Å; K400-F547 HydrophobicContact CD-CE2 4.14Å; K400-F547 HydrophobicContact CD-CZ 4.35Å; Y401-F547 AromaticContact CD1-CE1 3.64Å; Y401-F547 HydrophobicContact CD1-CE1 3.64Å; Y401-F547 HydrophobicContact CD1-CZ 4.21Å; Y401-F547 AromaticContact CD2-CE1 3.85Å; Y401-F547 HydrophobicContact CD2-CE1 3.85Å; Y401-F547 AromaticContact CD2-CZ 3.67Å; Y401-F547 HydrophobicContact CD2-CZ 3.67Å; Y401-F547 AromaticContact CE1-CE1 3.79Å; Y401-F547 HydrophobicContact CE1-CE1 3.79Å; Y401-F547 HydrophobicContact CE1-CZ 4.09Å; Y401-F547 HydrophobicContact CE2-CE1 4.01Å; Y401-F547 AromaticContact CE2-CZ 3.56Å; Y401-F547 HydrophobicContact CE2-CZ 3.56Å; Y401-F547 AromaticContact CG-CE1 3.66Å; Y401-F547 HydrophobicContact CG-CE1 3.66Å; Y401-F547 HydrophobicContact CG-CZ 4.01Å; Y401-F547 AromaticContact CZ-CE1 3.98Å; Y401-F547 AromaticContact CZ-CZ 3.78Å; Y545-F547 PolarHBondContact O-N 2.92Å; F547-W549 VanDerWaalsContact C-N 3.32Å
548A88.8Confident86.6Confident14 Ų1476.9 Ų76.912%0.11638%0.382CS..THydrogen-bonded Turntrans-89.42.718000000112.9D546D546-A548 PolarHBondContact O-N 2.98Å; D546-A548 WeakPolarHBondContact OD1-CB 3.44Å; D546-A548 PolarHBondContact OD1-N 2.8Å
549W78.7Confident86Confident125 Ų12582.2 Ų82.247%0.47341%0.408SS..SBendtrans-80.4-30.2-178-172.5-93.6000113.7Q543 D546 F547Q543-W549 HydrophobicContact CG-CD2 3.87Å; Q543-W549 HydrophobicContact CG-CE3 4.39Å; Q543-W549 HydrophobicContact CG-CG 4.08Å; Q543-W549 HydrophobicContact CG-CZ2 4.33Å; Q543-W549 VanDerWaalsContact NE2-CE2 3.28Å; Q543-W549 VanDerWaalsContact NE2-NE1 3.12Å; D546-W549 HydrophobicContact CB-CB 4.11Å; D546-W549 WeakPolarHBondContact O-CB 3.38Å; D546-W549 PolarHBondContact O-N 2.9Å; F547-W549 VanDerWaalsContact C-N 3.32Å
550D58.1Low85.4Confident150 Ų15081.1 Ų81.180%0.80241%0.412SS*.  trans-100.8-1.3-174.9-69.7-31.3000113.9
551D47.2Very low84.6Confident193 Ų19380.1 Ų80.1100%1.03241%0.405SS*.  trans-98.80174.2-84.7-25.2000111.1

Retrieved 551 of 551 residues in 113.5 ms (Link to these results)

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