A0A087Y4P4_POEFO Loading...

FERM domain containing 1

AlphaFold DB , UniProt , Accession A0A087Y4P4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 582 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low59.8Low239 Ų239109.9 Ų109.9100%1.17760%0.595SS**  085.40-70.9-72.6-16200107.6T3M1-T3 PolarHBondContact O-N 3.45Å
2S38.7Very low62.4Low122 Ų122101.4 Ų101.485%0.85355%0.55SS**  trans-78.6114.1177.5-33.50000107.3
3T37.3Very low64.8Low121 Ų12193.6 Ų93.674%0.74251%0.508SS*.  trans-57.9132.4170440000108.2M1 T5M1-T3 PolarHBondContact O-N 3.45Å; T3-T5 PolarHBondContact O-N 2.76Å
4P43.9Very low67Low113 Ų11389.9 Ų89.973%0.73449%0.487SS*.  trans-65114.1174.126.7-29.8000106.2K6P4-K6 VanDerWaalsContact C-N 3.33Å; P4-K6 PolarHBondContact O-N 3.05Å
5T44.3Very low68.8Low107 Ų10784.5 Ų84.566%0.65646%0.458SS*.  trans-58.4101.9170.143.20000106.6T3 H7T3-T5 PolarHBondContact O-N 2.76Å; T5-H7 PolarHBondContact O-N 3.04Å; T5-H7 PolarHBondContact O-ND1 3.43Å
6K54.8Low70.3Confident164 Ų16480.2 Ų80.271%0.71344%0.435SS*.  trans-63107.2172.5-76.1-176177.5179.40105.4P4 E8P4-K6 VanDerWaalsContact C-N 3.33Å; P4-K6 PolarHBondContact O-N 3.05Å; K6-E8 VanDerWaalsContact C-N 3.28Å; K6-E8 HydrophobicContact CB-CG 3.98Å; K6-E8 WeakPolarHBondContact CD-OE1 2.89Å; K6-E8 PolarHBondContact O-N 2.86Å
7H69.6Low71.5Confident123 Ų12380.1 Ų80.157%0.56943%0.434SS*.  trans-72.697172.9-66.762.6000105.5T5 L27T5-H7 PolarHBondContact O-N 3.04Å; T5-H7 PolarHBondContact O-ND1 3.43Å; H7-L27 HydrophobicContact CB-CD1 3.32Å; H7-L27 HydrophobicContact CB-CG 3.63Å; H7-L27 WeakPolarHBondContact O-CG 3.36Å; H7-L27 PolarHBondContact O-N 3.16Å
8E78.3Confident72.6Confident109 Ų10982.4 Ų82.451%0.50944%0.44SS..EExtended strand (participates in β ladder)trans-102146.4179.5-72.1174.4-171.900109K6 T24 I25K6-E8 VanDerWaalsContact C-N 3.28Å; K6-E8 HydrophobicContact CB-CG 3.98Å; K6-E8 WeakPolarHBondContact CD-OE1 2.89Å; K6-E8 PolarHBondContact O-N 2.86Å; E8-T24 HydrophobicContact CB-CG2 3.76Å; E8-T24 HydrophobicContact CG-CG2 4.29Å; E8-I25 CarbonylContact C-O 3.5Å; E8-I25 VanDerWaalsContact CA-O 3.31Å; E8-I25 WeakPolarHBondContact CA-O 3.37Å
9R79.5Confident73.7Confident38 Ų3880.5 Ų80.514%0.14343%0.434CS..EExtended strand (participates in β ladder)trans-133.2143177.5-72.1-169179.21573.6109.9I25 L27 W77 D80R9-I25 PolarHBondContact N-O 2.84Å; R9-I25 WeakPolarHBondContact O-CG1 3.39Å; R9-I25 PolarHBondContact O-N 2.95Å; R9-L27 HydrophobicContact CG-CD2 4.03Å; R9-L27 VanDerWaalsContact CZ-CD2 3.42Å; R9-W77 VanDerWaalsContact CZ-O 3.26Å; R9-W77 VanDerWaalsContact NH1-CA 3.35Å; R9-W77 VanDerWaalsContact NH1-CE3 3.32Å; R9-W77 PolarHBondContact NH1-O 3Å; R9-W77 PolarHBondContact NH2-O 2.87Å; R9-D80 IonicContact CZ-OD2 3.35Å; R9-D80 IonicContact NE-OD2 2.65Å; R9-D80 PolarHBondContact NE-OD2 2.86Å; R9-D80 IonicContact NH2-OD2 3.52Å; R9-D80 PolarHBondContact NH2-OD2 2.75Å
10T85.4Confident74.6Confident73 Ų7383.8 Ų83.845%0.44845%0.446SS..EExtended strand (participates in β ladder)trans-92.6129.1175.9-50.80000110.2D22 V23T10-D22 HydrophobicContact CG2-CB 3.81Å; T10-V23 WeakPolarHBondContact CA-O 2.93Å
11V88.8Confident75.5Confident0 Ų081 Ų810%043%0.431CS..EExtended strand (participates in β ladder)trans-111.1127.9173.5179.20000107.5V13 V23 I25 L92 L94V11-V13 HydrophobicContact CG1-CG2 4.38Å; V11-V23 PolarHBondContact N-O 2.92Å; V11-V23 PolarHBondContact O-N 2.61Å; V11-I25 HydrophobicContact CG2-CD1 3.43Å; V11-I25 VanDerWaalsContact CG2-CD1 3.43Å; V11-I25 HydrophobicContact CG2-CG1 3.79Å; V11-L92 CarbonylContact C-O 3.53Å; V11-L92 WeakPolarHBondContact CA-O 3.28Å; V11-L92 HydrophobicContact CB-CB 4.5Å; V11-L92 HydrophobicContact CG1-CB 4.27Å; V11-L92 VanDerWaalsContact CG1-O 3.3Å; V11-L92 WeakPolarHBondContact CG1-O 3.43Å; V11-L92 HydrophobicContact CG2-CB 4.12Å; V11-L92 HydrophobicContact CG2-CD1 4.15Å; V11-L94 HydrophobicContact CG1-CB 4.33Å; V11-L94 HydrophobicContact CG1-CD1 3.64Å; V11-L94 HydrophobicContact CG1-CG 3.75Å
12C91.6Very high78.1Confident8 Ų874.5 Ų74.55%0.05440%0.401CS..EExtended strand (participates in β ladder)trans-89.2126.4174.2-1710000108.9D22 P91 L92 L93 L94C12-D22 WeakPolarHBondContact CB-OD1 3.29Å; C12-D22 PolarHBondContact SG-OD1 2.92Å; C12-D22 VanDerWaalsContact SG-OD1 3.35Å; C12-P91 HydrophobicContact CB-CB 4.11Å; C12-L92 PolarHBondContact N-O 3.26Å; C12-L93 HydrophobicContact CB-CD1 4.29Å; C12-L93 CarbonylContact O-C 3.55Å; C12-L93 WeakPolarHBondContact O-CA 3.49Å; C12-L94 PolarHBondContact O-N 2.73Å
13V93.8Very high80.5Confident0 Ų068.9 Ų68.90%036%0.362CS..EExtended strand (participates in β ladder)trans-113.3116.9180-175.20000108.5V11 L15 Q20 L21 V23 V34 I38 L52 L94 L96V11-V13 HydrophobicContact CG1-CG2 4.38Å; V13-L15 HydrophobicContact CG1-CD2 4.29Å; V13-Q20 WeakPolarHBondContact O-CA 3.49Å; V13-L21 HydrophobicContact CB-CB 4.46Å; V13-L21 PolarHBondContact N-O 2.8Å; V13-L21 PolarHBondContact O-N 2.99Å; V13-V23 HydrophobicContact CG2-CG2 4.14Å; V13-V34 HydrophobicContact CG2-CG1 4.19Å; V13-I38 HydrophobicContact CB-CD1 4.37Å; V13-I38 HydrophobicContact CG1-CD1 3.81Å; V13-I38 HydrophobicContact CG2-CD1 3.98Å; V13-I38 HydrophobicContact CG2-CG1 4.37Å; V13-L52 HydrophobicContact CG1-CD2 4.14Å; V13-L94 CarbonylContact C-O 3.56Å; V13-L94 WeakPolarHBondContact CA-O 3.12Å; V13-L94 HydrophobicContact CG2-CB 4.31Å; V13-L96 HydrophobicContact CG1-CB 4.23Å
14L95Very high82.9Confident42 Ų4266.8 Ų66.822%0.2235%0.349CS..EExtended strand (participates in β ladder)trans-84121171.5-168.371.2000109.7Q20 L93 L94 F95 L96L14-Q20 HydrophobicContact CD1-CG 3.65Å; L14-L93 HydrophobicContact CB-CD1 4.47Å; L14-L94 PolarHBondContact N-O 3.1Å; L14-F95 HydrophobicContact CB-CD1 3.77Å; L14-F95 HydrophobicContact CB-CE1 4.13Å; L14-F95 HydrophobicContact CB-CG 4.48Å; L14-F95 HydrophobicContact CD2-CD1 3.63Å; L14-F95 HydrophobicContact CD2-CE1 3.51Å; L14-F95 HydrophobicContact CG-CD1 4.25Å; L14-F95 HydrophobicContact CG-CE1 4.45Å; L14-F95 WeakPolarHBondContact O-CA 3.31Å; L14-L96 PolarHBondContact O-N 3.23Å
15L94.8Very high85Confident9 Ų961.8 Ų61.85%0.04732%0.316CS..  trans-84158.7177.6-60.4-177.5000111.2V13 N17 K18 S19 I38 L42 L96V13-L15 HydrophobicContact CG1-CD2 4.29Å; L15-N17 VanDerWaalsContact CB-OD1 3.27Å; L15-N17 WeakPolarHBondContact CB-OD1 3.48Å; L15-N17 PolarHBondContact O-N 3.25Å; L15-N17 VanDerWaalsContact O-N 3.13Å; L15-K18 WeakPolarHBondContact O-CA 2.99Å; L15-K18 PolarHBondContact O-N 3.06Å; L15-S19 WeakPolarHBondContact CD1-OG 3.45Å; L15-S19 PolarHBondContact N-O 3.08Å; L15-I38 HydrophobicContact CD2-CG2 4.47Å; L15-L42 HydrophobicContact CD1-CD1 4.03Å; L15-L42 HydrophobicContact CD1-CD2 3.93Å; L15-L42 HydrophobicContact CD2-CD1 4.16Å; L15-L96 HydrophobicContact CD2-CB 3.98Å; L15-L96 HydrophobicContact CD2-CD2 3.59Å; L15-L96 HydrophobicContact CD2-CG 4.44Å
16P92.5Very high86.9Confident15 Ų1558 Ų5810%0.09730%0.298CS..THydrogen-bonded Turntrans-53.9-32.3178.3-31.336000115.1K18 L96 L116 D120P16-K18 PolarHBondContact O-N 3.2Å; P16-L96 WeakPolarHBondContact CD-O 3.44Å; P16-L96 WeakPolarHBondContact CG-O 3.28Å; P16-L116 VanDerWaalsContact CB-O 3.29Å; P16-L116 WeakPolarHBondContact CB-O 3.44Å; P16-D120 HydrophobicContact CB-CB 3.99Å; P16-D120 HydrophobicContact CG-CB 4.36Å
17N91.1Very high88Confident78 Ų7853.1 Ų53.142%0.41728%0.28SS..THydrogen-bonded Turntrans-80.212.2176.967.6-4.7000113.6L15 S19 L116L15-N17 VanDerWaalsContact CB-OD1 3.27Å; L15-N17 WeakPolarHBondContact CB-OD1 3.48Å; L15-N17 PolarHBondContact O-N 3.25Å; L15-N17 VanDerWaalsContact O-N 3.13Å; N17-S19 PolarHBondContact ND2-OG 3.48Å; N17-S19 PolarHBondContact O-N 3.01Å; N17-S19 WeakPolarHBondContact OD1-CB 3.25Å; N17-S19 PolarHBondContact OD1-N 3.19Å; N17-S19 VanDerWaalsContact OD1-N 3.09Å; N17-S19 PolarHBondContact OD1-OG 2.89Å; N17-L116 HydrophobicContact CB-CD2 4.49Å
18K90.3Very high88.7Confident122 Ų12255.2 Ų55.253%0.5329%0.287SS..SBendtrans68.74.9-179.2-52174-179175.50115L15 P16 E123L15-K18 WeakPolarHBondContact O-CA 2.99Å; L15-K18 PolarHBondContact O-N 3.06Å; P16-K18 PolarHBondContact O-N 3.2Å; K18-E123 WeakPolarHBondContact CE-OE2 3.43Å; K18-E123 IonicContact NZ-OE2 3.27Å; K18-E123 PolarHBondContact NZ-OE2 3.32Å
19S93Very high89.1Confident47 Ų4750.9 Ų50.933%0.32927%0.269SS..  trans-75.2151.3170.266.70000111L15 N17L15-S19 WeakPolarHBondContact CD1-OG 3.45Å; L15-S19 PolarHBondContact N-O 3.08Å; N17-S19 PolarHBondContact ND2-OG 3.48Å; N17-S19 PolarHBondContact O-N 3.01Å; N17-S19 WeakPolarHBondContact OD1-CB 3.25Å; N17-S19 PolarHBondContact OD1-N 3.19Å; N17-S19 VanDerWaalsContact OD1-N 3.09Å; N17-S19 PolarHBondContact OD1-OG 2.89Å
20Q92.9Very high89.7Confident145 Ų14550.5 Ų50.568%0.67827%0.271SS*.EExtended strand (participates in β ladder)trans-108139.5179.6-68.6177.7-0.500109.4V13 L14V13-Q20 WeakPolarHBondContact O-CA 3.49Å; L14-Q20 HydrophobicContact CD1-CG 3.65Å
21L92.4Very high89.9Confident25 Ų2547 Ų4713%0.13125%0.249CC..EExtended strand (participates in β ladder)trans-128.1122.4176.9-179.365.5000109.7V13 V23 I38 I41V13-L21 HydrophobicContact CB-CB 4.46Å; V13-L21 PolarHBondContact N-O 2.8Å; V13-L21 PolarHBondContact O-N 2.99Å; L21-V23 HydrophobicContact CD2-CG2 4.2Å; L21-V23 HydrophobicContact CG-CG2 4.12Å; L21-I38 HydrophobicContact CD2-CB 4.35Å; L21-I38 HydrophobicContact CD2-CG1 4.07Å; L21-I38 HydrophobicContact CD2-CG2 4.18Å; L21-I41 HydrophobicContact CD1-CB 4.46Å; L21-I41 HydrophobicContact CD1-CD1 4.15Å; L21-I41 HydrophobicContact CD1-CG2 3.66Å; L21-I41 HydrophobicContact CD2-CB 4.3Å; L21-I41 HydrophobicContact CD2-CD1 4.18Å; L21-I41 HydrophobicContact CD2-CG2 4.26Å; L21-I41 HydrophobicContact CG-CD1 4.42Å
22D91.3Very high90.1Very high104 Ų10450.5 Ų50.556%0.55627%0.266SS*.EExtended strand (participates in β ladder)trans-94.1120.9177.4-69.7-24.3000109.9T10 C12T10-D22 HydrophobicContact CG2-CB 3.81Å; C12-D22 WeakPolarHBondContact CB-OD1 3.29Å; C12-D22 PolarHBondContact SG-OD1 2.92Å; C12-D22 VanDerWaalsContact SG-OD1 3.35Å
23V89.9Confident90.1Very high3 Ų353.3 Ų53.32%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-116123.8-177.9-176.20000109.3T10 V11 V13 L21 I25 I38 I41T10-V23 WeakPolarHBondContact CA-O 2.93Å; V11-V23 PolarHBondContact N-O 2.92Å; V11-V23 PolarHBondContact O-N 2.61Å; V13-V23 HydrophobicContact CG2-CG2 4.14Å; L21-V23 HydrophobicContact CD2-CG2 4.2Å; L21-V23 HydrophobicContact CG-CG2 4.12Å; V23-I25 HydrophobicContact CG1-CG2 3.92Å; V23-I38 HydrophobicContact CG2-CG1 4.1Å; V23-I41 HydrophobicContact CG2-CD1 4.37Å
24T88.3Confident90Very high78 Ų7853.3 Ų53.348%0.47928%0.28SS..EExtended strand (participates in β ladder)trans-89.2122.1175.9-57.50000110E8E8-T24 HydrophobicContact CB-CG2 3.76Å; E8-T24 HydrophobicContact CG-CG2 4.29Å
25I87.1Confident89.9Confident7 Ų752 Ų524%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-128.7159.5-176.457.6162.6000112.8E8 R9 V11 V23 V34 L69 W77E8-I25 CarbonylContact C-O 3.5Å; E8-I25 VanDerWaalsContact CA-O 3.31Å; E8-I25 WeakPolarHBondContact CA-O 3.37Å; R9-I25 PolarHBondContact N-O 2.84Å; R9-I25 WeakPolarHBondContact O-CG1 3.39Å; R9-I25 PolarHBondContact O-N 2.95Å; V11-I25 HydrophobicContact CG2-CD1 3.43Å; V11-I25 VanDerWaalsContact CG2-CD1 3.43Å; V11-I25 HydrophobicContact CG2-CG1 3.79Å; V23-I25 HydrophobicContact CG1-CG2 3.92Å; I25-V34 HydrophobicContact CD1-CG2 4.07Å; I25-V34 HydrophobicContact CG2-CG2 3.57Å; I25-L69 HydrophobicContact CD1-CD1 3.31Å; I25-W77 HydrophobicContact CD1-CH2 4.26Å
26G84.5Confident89.8Confident28 Ų2855.4 Ų55.429%0.28929%0.291SS..EExtended strand (participates in β ladder)trans-79.6159.5173.400000113.1K28 S29G26-K28 PolarHBondContact O-N 2.91Å; G26-S29 PolarHBondContact N-OG 3.36Å; G26-S29 VanDerWaalsContact N-OG 3.11Å; G26-S29 VanDerWaalsContact O-CB 3.31Å; G26-S29 WeakPolarHBondContact O-CB 3.46Å; G26-S29 PolarHBondContact O-N 2.87Å; G26-S29 PolarHBondContact O-OG 3.39Å
27L78.9Confident89.8Confident61 Ų6156.4 Ų56.432%0.31930%0.298SS..THydrogen-bonded Turntrans-61.8-12.6177.2-72.6-175.5000115.7H7 R9 W77H7-L27 HydrophobicContact CB-CD1 3.32Å; H7-L27 HydrophobicContact CB-CG 3.63Å; H7-L27 WeakPolarHBondContact O-CG 3.36Å; H7-L27 PolarHBondContact O-N 3.16Å; R9-L27 HydrophobicContact CG-CD2 4.03Å; R9-L27 VanDerWaalsContact CZ-CD2 3.42Å; L27-W77 HydrophobicContact CB-CZ2 4.46Å; L27-W77 HydrophobicContact CD2-CZ2 4Å; L27-W77 WeakPolarHBondContact O-CZ2 3.29Å
28K82.7Confident89.9Confident167 Ų16752.7 Ų52.773%0.72628%0.278SS*.THydrogen-bonded Turntrans-108.94.1179-66.2-177.9-178.3176.70112.5G26G26-K28 PolarHBondContact O-N 2.91Å
29S87.8Confident90.1Very high18 Ų1847.8 Ų47.813%0.12626%0.26CS..  trans-66.3145.4-173.7-67.30000112.7G26 D33 L69G26-S29 PolarHBondContact N-OG 3.36Å; G26-S29 VanDerWaalsContact N-OG 3.11Å; G26-S29 VanDerWaalsContact O-CB 3.31Å; G26-S29 WeakPolarHBondContact O-CB 3.46Å; G26-S29 PolarHBondContact O-N 2.87Å; G26-S29 PolarHBondContact O-OG 3.39Å; S29-D33 WeakPolarHBondContact CA-OD2 3.17Å; S29-D33 WeakPolarHBondContact CB-OD2 3.23Å; S29-D33 PolarHBondContact OG-OD2 2.88Å; S29-L69 PolarHBondContact O-N 3.23Å
30T91.5Very high90.1Very high30 Ų3053.1 Ų53.118%0.18428%0.28CS..BIsolated β-bridgetrans-93.4173.617862.90000111.1Q32 D33 M65 E67T30-Q32 PolarHBondContact O-N 3.06Å; T30-Q32 PolarHBondContact OG1-N 3.25Å; T30-D33 PolarHBondContact N-OD2 2.79Å; T30-D33 PolarHBondContact O-N 2.93Å; T30-D33 PolarHBondContact OG1-N 2.88Å; T30-D33 PolarHBondContact OG1-OD2 3.15Å; T30-M65 WeakPolarHBondContact CB-O 3.23Å; T30-E67 WeakPolarHBondContact CA-O 3.3Å
31G89.9Confident90.2Very high0 Ų050.8 Ų50.80%027%0.271CS..Hα-helixtrans-58-37.8168.700000112.1D33 V34 F35 M65 E67G31-D33 PolarHBondContact O-N 2.78Å; G31-V34 PolarHBondContact O-N 3.29Å; G31-F35 WeakPolarHBondContact O-CB 3.23Å; G31-F35 PolarHBondContact O-N 2.79Å; G31-M65 PolarHBondContact N-O 2.99Å; G31-E67 PolarHBondContact N-O 2.78Å
32Q92.3Very high90.2Very high73 Ų7351.3 Ų51.334%0.34127%0.274SS..Hα-helixtrans-61.8-40.3178.4-16862.445.300112.6T30 V34 F35 N36 M65T30-Q32 PolarHBondContact O-N 3.06Å; T30-Q32 PolarHBondContact OG1-N 3.25Å; Q32-V34 PolarHBondContact O-N 2.8Å; Q32-F35 WeakPolarHBondContact O-CB 3.46Å; Q32-F35 PolarHBondContact O-N 2.92Å; Q32-F35 VanDerWaalsContact O-N 3.16Å; Q32-N36 PolarHBondContact NE2-OD1 2.82Å; Q32-N36 WeakPolarHBondContact O-CB 3.33Å; Q32-N36 PolarHBondContact O-N 2.79Å; Q32-N36 PolarHBondContact O-OD1 2.63Å; Q32-M65 HydrophobicContact CB-CB 4.15Å; Q32-M65 WeakPolarHBondContact CB-O 3.44Å; Q32-M65 PolarHBondContact N-O 2.64Å
33D92.3Very high90.3Very high67 Ų6748.5 Ų48.536%0.35827%0.27SS..Hα-helixtrans-61.2-45.9179.3-64.5-29.7000111.4S29 T30 G31 F35 N36 S37S29-D33 WeakPolarHBondContact CA-OD2 3.17Å; S29-D33 WeakPolarHBondContact CB-OD2 3.23Å; S29-D33 PolarHBondContact OG-OD2 2.88Å; T30-D33 PolarHBondContact N-OD2 2.79Å; T30-D33 PolarHBondContact O-N 2.93Å; T30-D33 PolarHBondContact OG1-N 2.88Å; T30-D33 PolarHBondContact OG1-OD2 3.15Å; G31-D33 PolarHBondContact O-N 2.78Å; D33-F35 VanDerWaalsContact C-N 3.3Å; D33-F35 PolarHBondContact O-N 3.18Å; D33-N36 PolarHBondContact O-N 2.86Å; D33-S37 PolarHBondContact O-N 3.01Å; D33-S37 PolarHBondContact O-OG 2.98Å
34V91.9Very high90.5Very high0 Ų048.7 Ų48.70%027%0.271CS..Hα-helixtrans-62.2-42.8175.1173.90000110.3V13 I25 G31 Q32 N36 S37 I38 L52 L69 L94V13-V34 HydrophobicContact CG2-CG1 4.19Å; I25-V34 HydrophobicContact CD1-CG2 4.07Å; I25-V34 HydrophobicContact CG2-CG2 3.57Å; G31-V34 PolarHBondContact O-N 3.29Å; Q32-V34 PolarHBondContact O-N 2.8Å; V34-N36 VanDerWaalsContact C-N 3.35Å; V34-N36 PolarHBondContact O-N 3.1Å; V34-S37 PolarHBondContact O-N 2.81Å; V34-I38 HydrophobicContact CG1-CD1 3.76Å; V34-I38 HydrophobicContact CG1-CG1 4.32Å; V34-I38 WeakPolarHBondContact O-CD1 3.3Å; V34-I38 VanDerWaalsContact O-CG1 3.23Å; V34-I38 WeakPolarHBondContact O-CG1 3.44Å; V34-I38 PolarHBondContact O-N 2.88Å; V34-L52 HydrophobicContact CB-CD1 4.09Å; V34-L52 HydrophobicContact CG1-CD1 3.81Å; V34-L69 HydrophobicContact CG2-CD1 3.46Å; V34-L69 VanDerWaalsContact CG2-CD1 3.46Å; V34-L94 HydrophobicContact CG1-CD1 4.15Å
35F92.1Very high90.6Very high15 Ų1554.2 Ų54.27%0.06629%0.288CS..Hα-helixtrans-61.2-43.4-179.8-160.3-104.7000112.3G31 Q32 D33 I38 A39 M47 F50 L52 M65 L96G31-F35 WeakPolarHBondContact O-CB 3.23Å; G31-F35 PolarHBondContact O-N 2.79Å; Q32-F35 WeakPolarHBondContact O-CB 3.46Å; Q32-F35 PolarHBondContact O-N 2.92Å; Q32-F35 VanDerWaalsContact O-N 3.16Å; D33-F35 VanDerWaalsContact C-N 3.3Å; D33-F35 PolarHBondContact O-N 3.18Å; F35-I38 PolarHBondContact O-N 2.71Å; F35-A39 WeakPolarHBondContact O-CB 3.42Å; F35-A39 PolarHBondContact O-N 3.31Å; F35-M47 HydrophobicContact CD1-CB 4.42Å; F35-M47 HydrophobicContact CE1-CB 3.42Å; F35-M47 VanDerWaalsContact CE1-CB 3.42Å; F35-M47 HydrophobicContact CE1-CG 4.4Å; F35-M47 HydrophobicContact CE2-CE 4.1Å; F35-M47 HydrophobicContact CZ-CB 3.61Å; F35-M47 HydrophobicContact CZ-CE 4.08Å; F35-M47 WeakPolarHBondContact CZ-O 3.48Å; F35-F50 HydrophobicContact CE2-CB 4.39Å; F35-F50 HydrophobicContact CZ-CB 4.43Å; F35-F50 WeakPolarHBondContact CZ-O 3.49Å; F35-L52 HydrophobicContact CB-CD1 4.18Å; F35-L52 HydrophobicContact CD2-CD1 4.02Å; F35-L52 HydrophobicContact CD2-CG 3.92Å; F35-M65 HydrophobicContact CB-CE 4.31Å; F35-M65 HydrophobicContact CB-SD 4.43Å; F35-M65 HydrophobicContact CD1-CE 4.36Å; F35-M65 HydrophobicContact CD2-CE 3.46Å; F35-M65 VanDerWaalsContact CD2-CE 3.46Å; F35-M65 HydrophobicContact CE2-CE 3.65Å; F35-M65 HydrophobicContact CG-CE 3.81Å; F35-M65 HydrophobicContact CZ-CE 4.16Å; F35-L96 HydrophobicContact CD2-CD1 4.45Å; F35-L96 HydrophobicContact CE2-CD1 3.92Å
36N93Very high90.6Very high81 Ų8154.9 Ų54.943%0.43329%0.291SS..Hα-helixtrans-64.5-43.3176.3-69.2-11.4000111.5Q32 D33 V34 I38 A39 E40Q32-N36 PolarHBondContact NE2-OD1 2.82Å; Q32-N36 WeakPolarHBondContact O-CB 3.33Å; Q32-N36 PolarHBondContact O-N 2.79Å; Q32-N36 PolarHBondContact O-OD1 2.63Å; D33-N36 PolarHBondContact O-N 2.86Å; V34-N36 VanDerWaalsContact C-N 3.35Å; V34-N36 PolarHBondContact O-N 3.1Å; N36-I38 VanDerWaalsContact C-N 3.33Å; N36-I38 PolarHBondContact O-N 3.19Å; N36-A39 WeakPolarHBondContact O-CB 3.25Å; N36-A39 PolarHBondContact O-N 2.94Å; N36-E40 WeakPolarHBondContact O-CB 3.39Å; N36-E40 PolarHBondContact O-N 3.2Å
37S93Very high90.9Very high35 Ų3553.9 Ų53.925%0.24528%0.279CS..Hα-helixtrans-62.7-38.8175.3-61.20000112.4D33 V34 E40 I41D33-S37 PolarHBondContact O-N 3.01Å; D33-S37 PolarHBondContact O-OG 2.98Å; V34-S37 PolarHBondContact O-N 2.81Å; S37-E40 PolarHBondContact O-N 2.89Å; S37-I41 WeakPolarHBondContact O-CB 3.37Å; S37-I41 WeakPolarHBondContact O-CD1 3.5Å; S37-I41 WeakPolarHBondContact O-CG1 3.4Å; S37-I41 PolarHBondContact O-N 3.19Å
38I93.7Very high91.4Very high0 Ų053.6 Ų53.60%028%0.276CS..Hα-helixtrans-63.1-45.7174-64.9160000110.3V13 L15 L21 V23 V34 F35 N36 E40 I41 L42 M47 L52V13-I38 HydrophobicContact CB-CD1 4.37Å; V13-I38 HydrophobicContact CG1-CD1 3.81Å; V13-I38 HydrophobicContact CG2-CD1 3.98Å; V13-I38 HydrophobicContact CG2-CG1 4.37Å; L15-I38 HydrophobicContact CD2-CG2 4.47Å; L21-I38 HydrophobicContact CD2-CB 4.35Å; L21-I38 HydrophobicContact CD2-CG1 4.07Å; L21-I38 HydrophobicContact CD2-CG2 4.18Å; V23-I38 HydrophobicContact CG2-CG1 4.1Å; V34-I38 HydrophobicContact CG1-CD1 3.76Å; V34-I38 HydrophobicContact CG1-CG1 4.32Å; V34-I38 WeakPolarHBondContact O-CD1 3.3Å; V34-I38 VanDerWaalsContact O-CG1 3.23Å; V34-I38 WeakPolarHBondContact O-CG1 3.44Å; V34-I38 PolarHBondContact O-N 2.88Å; F35-I38 PolarHBondContact O-N 2.71Å; N36-I38 VanDerWaalsContact C-N 3.33Å; N36-I38 PolarHBondContact O-N 3.19Å; I38-E40 VanDerWaalsContact C-N 3.31Å; I38-E40 PolarHBondContact O-N 2.8Å; I38-I41 PolarHBondContact O-N 2.81Å; I38-L42 HydrophobicContact CG2-CD1 3.6Å; I38-L42 HydrophobicContact CG2-CG 4.16Å; I38-L42 VanDerWaalsContact O-CB 3.31Å; I38-L42 WeakPolarHBondContact O-CB 3.26Å; I38-L42 WeakPolarHBondContact O-CG 3.39Å; I38-L42 PolarHBondContact O-N 2.8Å; I38-M47 HydrophobicContact CG2-CE 3.93Å; I38-L52 HydrophobicContact CD1-CD1 4.29Å; I38-L52 HydrophobicContact CD1-CD2 3.65Å; I38-L52 HydrophobicContact CD1-CG 4.5Å
39A93.6Very high91.8Very high19 Ų1945.7 Ų45.716%0.15724%0.242CC..Hα-helixtrans-59.4-42.1178.800000111.6F35 N36 G43 I44 M47F35-A39 WeakPolarHBondContact O-CB 3.42Å; F35-A39 PolarHBondContact O-N 3.31Å; N36-A39 WeakPolarHBondContact O-CB 3.25Å; N36-A39 PolarHBondContact O-N 2.94Å; A39-G43 VanDerWaalsContact O-CA 3.3Å; A39-G43 WeakPolarHBondContact O-CA 3.38Å; A39-G43 PolarHBondContact O-N 3.4Å; A39-I44 WeakPolarHBondContact CB-O 3.39Å; A39-I44 PolarHBondContact O-N 2.97Å; A39-M47 HydrophobicContact CB-CG 3.88Å
40E94.1Very high92.1Very high160 Ų16045 Ų4575%0.74824%0.236SC*.Hα-helixtrans-65.8-50.2176.7-173.1177.9-175.200112N36 S37 I38 L42 G43N36-E40 WeakPolarHBondContact O-CB 3.39Å; N36-E40 PolarHBondContact O-N 3.2Å; S37-E40 PolarHBondContact O-N 2.89Å; I38-E40 VanDerWaalsContact C-N 3.31Å; I38-E40 PolarHBondContact O-N 2.8Å; E40-L42 VanDerWaalsContact C-N 3.35Å; E40-L42 PolarHBondContact O-N 3.06Å; E40-G43 PolarHBondContact O-N 3.27Å; E40-G43 VanDerWaalsContact O-N 3.09Å
41I93.8Very high92.2Very high95 Ų9543.6 Ų43.649%0.48723%0.228SC..Hα-helixtrans-64.6-40.8-178.6-64.2162.1000111.3L21 V23 S37 I38 G43L21-I41 HydrophobicContact CD1-CB 4.46Å; L21-I41 HydrophobicContact CD1-CD1 4.15Å; L21-I41 HydrophobicContact CD1-CG2 3.66Å; L21-I41 HydrophobicContact CD2-CB 4.3Å; L21-I41 HydrophobicContact CD2-CD1 4.18Å; L21-I41 HydrophobicContact CD2-CG2 4.26Å; L21-I41 HydrophobicContact CG-CD1 4.42Å; V23-I41 HydrophobicContact CG2-CD1 4.37Å; S37-I41 WeakPolarHBondContact O-CB 3.37Å; S37-I41 WeakPolarHBondContact O-CD1 3.5Å; S37-I41 WeakPolarHBondContact O-CG1 3.4Å; S37-I41 PolarHBondContact O-N 3.19Å; I38-I41 PolarHBondContact O-N 2.81Å; I41-G43 VanDerWaalsContact C-N 3.28Å
42L92.7Very high92.4Very high36 Ų3643.7 Ų43.719%0.18823%0.228CC..Hα-helixtrans-78.1-15.3176.9-63.3-179000112.4L15 I38 E40 I44 K112 L116L15-L42 HydrophobicContact CD1-CD1 4.03Å; L15-L42 HydrophobicContact CD1-CD2 3.93Å; L15-L42 HydrophobicContact CD2-CD1 4.16Å; I38-L42 HydrophobicContact CG2-CD1 3.6Å; I38-L42 HydrophobicContact CG2-CG 4.16Å; I38-L42 VanDerWaalsContact O-CB 3.31Å; I38-L42 WeakPolarHBondContact O-CB 3.26Å; I38-L42 WeakPolarHBondContact O-CG 3.39Å; I38-L42 PolarHBondContact O-N 2.8Å; E40-L42 VanDerWaalsContact C-N 3.35Å; E40-L42 PolarHBondContact O-N 3.06Å; L42-I44 HydrophobicContact CB-CD1 3.73Å; L42-I44 HydrophobicContact CB-CG1 3.84Å; L42-I44 HydrophobicContact CD1-CD1 4.02Å; L42-K112 WeakPolarHBondContact O-CD 3.47Å; L42-K112 PolarHBondContact O-NZ 3.33Å; L42-L116 HydrophobicContact CD1-CD1 4.27Å
43G93.4Very high92.5Very high45 Ų4540.2 Ų40.246%0.46421%0.212SC..THydrogen-bonded Turntrans57.849.9-173.700000111.8A39 E40 I41A39-G43 VanDerWaalsContact O-CA 3.3Å; A39-G43 WeakPolarHBondContact O-CA 3.38Å; A39-G43 PolarHBondContact O-N 3.4Å; E40-G43 PolarHBondContact O-N 3.27Å; E40-G43 VanDerWaalsContact O-N 3.09Å; I41-G43 VanDerWaalsContact C-N 3.28Å
44I93.4Very high92.3Very high7 Ų737.4 Ų37.44%0.03620%0.197CC..  trans-119.1132.5-179.8-61.2175.9000108.8A39 L42 M47 E110 K112 V113 L116A39-I44 WeakPolarHBondContact CB-O 3.39Å; A39-I44 PolarHBondContact O-N 2.97Å; L42-I44 HydrophobicContact CB-CD1 3.73Å; L42-I44 HydrophobicContact CB-CG1 3.84Å; L42-I44 HydrophobicContact CD1-CD1 4.02Å; I44-M47 HydrophobicContact CB-CG 4.14Å; I44-M47 HydrophobicContact CB-SD 3.86Å; I44-M47 HydrophobicContact CD1-SD 4.17Å; I44-M47 HydrophobicContact CG2-CG 3.75Å; I44-M47 HydrophobicContact CG2-SD 3.57Å; I44-M47 VanDerWaalsContact CG2-SD 3.57Å; I44-E110 WeakPolarHBondContact CA-OE2 3.4Å; I44-K112 HydrophobicContact CD1-CB 3.8Å; I44-K112 HydrophobicContact CD1-CD 4.43Å; I44-K112 HydrophobicContact CG1-CB 3.87Å; I44-K112 HydrophobicContact CG1-CD 3.95Å; I44-V113 HydrophobicContact CG2-CG2 3.23Å; I44-L116 HydrophobicContact CD1-CD1 3.6Å
45K89.9Confident92.1Very high195 Ų19540.2 Ų40.285%0.84821%0.214SC*.SBendtrans-98.5-38.9176.2-57.9-180179-177.80111.7M47 E110K45-M47 PolarHBondContact O-N 3.44Å; K45-E110 WeakPolarHBondContact CA-OE1 3.14Å; K45-E110 WeakPolarHBondContact CB-OE1 3.37Å; K45-E110 PolarHBondContact N-OE1 3.28Å
46E88.4Confident91.5Very high21 Ų2143.3 Ų43.310%0.09823%0.225CC..  trans-81.657.5-175.6-168.9-172.4-154.200112.2H48 Y49 C109 E110 V113E46-H48 WeakPolarHBondContact CG-CE1 3.5Å; E46-Y49 HydrophobicContact CG-CD2 4.19Å; E46-Y49 HydrophobicContact CG-CE2 3.68Å; E46-Y49 WeakPolarHBondContact OE1-CE2 3.41Å; E46-C109 PolarHBondContact OE2-N 3.28Å; E46-C109 VanDerWaalsContact OE2-N 3.09Å; E46-E110 HydrophobicContact CB-CG 4.48Å; E46-E110 WeakPolarHBondContact CB-OE1 3.37Å; E46-E110 PolarHBondContact N-OE1 3.45Å; E46-E110 PolarHBondContact OE2-N 2.89Å; E46-V113 HydrophobicContact CB-CG2 4.06Å; E46-V113 WeakPolarHBondContact O-CG2 3.41Å
47M89.9Confident90.6Very high7 Ų746.3 Ų46.33%0.03424%0.242CC..  trans-86.8-10.2-176.1-71.9-69.2-74.800113.9F35 I38 A39 I44 K45 Y49 F50 L96F35-M47 HydrophobicContact CD1-CB 4.42Å; F35-M47 HydrophobicContact CE1-CB 3.42Å; F35-M47 VanDerWaalsContact CE1-CB 3.42Å; F35-M47 HydrophobicContact CE1-CG 4.4Å; F35-M47 HydrophobicContact CE2-CE 4.1Å; F35-M47 HydrophobicContact CZ-CB 3.61Å; F35-M47 HydrophobicContact CZ-CE 4.08Å; F35-M47 WeakPolarHBondContact CZ-O 3.48Å; I38-M47 HydrophobicContact CG2-CE 3.93Å; A39-M47 HydrophobicContact CB-CG 3.88Å; I44-M47 HydrophobicContact CB-CG 4.14Å; I44-M47 HydrophobicContact CB-SD 3.86Å; I44-M47 HydrophobicContact CD1-SD 4.17Å; I44-M47 HydrophobicContact CG2-CG 3.75Å; I44-M47 HydrophobicContact CG2-SD 3.57Å; I44-M47 VanDerWaalsContact CG2-SD 3.57Å; K45-M47 PolarHBondContact O-N 3.44Å; M47-Y49 PolarHBondContact O-N 2.74Å; M47-F50 PolarHBondContact O-N 2.95Å; M47-F50 HydrophobicContact SD-CD2 4.16Å; M47-L96 HydrophobicContact CE-CD1 4.16Å; M47-L96 HydrophobicContact CE-CD2 4.12Å
48H89Confident89.9Confident55 Ų5552.2 Ų52.226%0.25527%0.27SS..THydrogen-bonded Turntrans-61.2-13.6-171.355.1-94.9000115.9E46 F50 F100 M453 F455E46-H48 WeakPolarHBondContact CG-CE1 3.5Å; H48-F50 VanDerWaalsContact C-N 3.34Å; H48-F100 VanDerWaalsContact O-CD2 3.27Å; H48-F100 WeakPolarHBondContact O-CD2 3.48Å; H48-M453 WeakPolarHBondContact CD2-CE 3.44Å; H48-M453 WeakPolarHBondContact NE2-CE 3.43Å; H48-F455 HydrophobicContact CB-CE2 3.81Å; H48-F455 HydrophobicContact CB-CZ 4.35Å
49Y91.9Very high89.2Confident1 Ų154.3 Ų54.30%0.00428%0.28CS..THydrogen-bonded Turntrans-78.4-19.1172.4-57.8-67000113.6E46 M47 Q99 F100 V102 F108 V113E46-Y49 HydrophobicContact CG-CD2 4.19Å; E46-Y49 HydrophobicContact CG-CE2 3.68Å; E46-Y49 WeakPolarHBondContact OE1-CE2 3.41Å; M47-Y49 PolarHBondContact O-N 2.74Å; Y49-Q99 PolarHBondContact O-N 3.45Å; Y49-F100 PolarHBondContact O-N 2.77Å; Y49-F100 VanDerWaalsContact O-N 3.13Å; Y49-V102 HydrophobicContact CD1-CG2 3.6Å; Y49-V102 HydrophobicContact CE1-CG2 3.4Å; Y49-V102 VanDerWaalsContact CE1-CG2 3.4Å; Y49-F108 HydrophobicContact CD1-CE1 4.19Å; Y49-F108 AromaticContact CD2-CD1 3.84Å; Y49-F108 HydrophobicContact CD2-CD1 3.84Å; Y49-F108 AromaticContact CD2-CE1 3.54Å; Y49-F108 HydrophobicContact CD2-CE1 3.54Å; Y49-F108 HydrophobicContact CE1-CE1 4.24Å; Y49-F108 AromaticContact CE2-CD1 3.57Å; Y49-F108 HydrophobicContact CE2-CD1 3.57Å; Y49-F108 AromaticContact CE2-CE1 3.54Å; Y49-F108 HydrophobicContact CE2-CE1 3.54Å; Y49-F108 AromaticContact CG-CE1 3.85Å; Y49-F108 HydrophobicContact CG-CE1 3.85Å; Y49-F108 AromaticContact CZ-CE1 3.91Å; Y49-V113 HydrophobicContact CD2-CG1 4.18Å
50F94.4Very high88.8Confident4 Ų456.8 Ų56.82%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-102.4151.4-175.2-54.3-80.7000111.7F35 M47 H48 L96 K97 V98 V113 L116F35-F50 HydrophobicContact CE2-CB 4.39Å; F35-F50 HydrophobicContact CZ-CB 4.43Å; F35-F50 WeakPolarHBondContact CZ-O 3.49Å; M47-F50 PolarHBondContact O-N 2.95Å; M47-F50 HydrophobicContact SD-CD2 4.16Å; H48-F50 VanDerWaalsContact C-N 3.34Å; F50-L96 HydrophobicContact CB-CD1 3.69Å; F50-L96 HydrophobicContact CB-CG 4.12Å; F50-L96 HydrophobicContact CD1-CG 4.48Å; F50-L96 HydrophobicContact CG-CD1 4.47Å; F50-L96 HydrophobicContact CG-CG 4.45Å; F50-K97 CarbonylContact C-O 3.59Å; F50-K97 VanDerWaalsContact CA-O 3.29Å; F50-K97 WeakPolarHBondContact CA-O 3.32Å; F50-V98 HydrophobicContact CD1-CG2 4.04Å; F50-V98 HydrophobicContact CE1-CG2 3.84Å; F50-V113 HydrophobicContact CE2-CB 4.47Å; F50-V113 HydrophobicContact CE2-CG1 3.91Å; F50-V113 HydrophobicContact CE2-CG2 4.36Å; F50-V113 HydrophobicContact CZ-CG1 4.22Å; F50-L116 HydrophobicContact CE1-CB 3.94Å; F50-L116 HydrophobicContact CZ-CB 3.68Å
51G94.2Very high88.4Confident0 Ų050.4 Ų50.40%026%0.259CS..EExtended strand (participates in β ladder)trans-133.4155.6171.600000110.7K97G51-K97 PolarHBondContact N-O 3.28Å; G51-K97 PolarHBondContact O-N 3.1Å
52L94.1Very high88.3Confident1 Ų146.5 Ų46.51%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-88.9136172.3-66169000109.4V13 V34 F35 I38 F62 L63 L94 F95 L96V13-L52 HydrophobicContact CG1-CD2 4.14Å; V34-L52 HydrophobicContact CB-CD1 4.09Å; V34-L52 HydrophobicContact CG1-CD1 3.81Å; F35-L52 HydrophobicContact CB-CD1 4.18Å; F35-L52 HydrophobicContact CD2-CD1 4.02Å; F35-L52 HydrophobicContact CD2-CG 3.92Å; I38-L52 HydrophobicContact CD1-CD1 4.29Å; I38-L52 HydrophobicContact CD1-CD2 3.65Å; I38-L52 HydrophobicContact CD1-CG 4.5Å; L52-F62 WeakPolarHBondContact O-CA 3.35Å; L52-L63 HydrophobicContact CB-CB 4.36Å; L52-L63 HydrophobicContact CB-CD1 3.28Å; L52-L63 HydrophobicContact CB-CG 4.37Å; L52-L63 HydrophobicContact CD1-CD1 4.44Å; L52-L63 HydrophobicContact CG-CD1 4.48Å; L52-L63 WeakPolarHBondContact O-CB 3.35Å; L52-L63 PolarHBondContact O-N 2.75Å; L52-L94 HydrophobicContact CD1-CD1 4.4Å; L52-F95 CarbonylContact C-O 3.56Å; L52-L96 HydrophobicContact CD2-CB 4.33Å; L52-L96 HydrophobicContact CD2-CD1 3.93Å
53T92.6Very high88.2Confident0 Ų045.1 Ų45.10%023%0.231CC..EExtended strand (participates in β ladder)trans-124148.4177.7680000111.6H60 I61 F62 F95 K97T53-H60 HydrophobicContact CG2-CB 4.43Å; T53-H60 PolarHBondContact OG1-ND1 3.12Å; T53-I61 CarbonylContact C-O 3.6Å; T53-I61 VanDerWaalsContact CA-O 3.23Å; T53-I61 WeakPolarHBondContact CA-O 3.46Å; T53-F62 HydrophobicContact CG2-CB 4.5Å; T53-F62 HydrophobicContact CG2-CD1 3.38Å; T53-F62 HydrophobicContact CG2-CD2 4.13Å; T53-F62 HydrophobicContact CG2-CE1 3.4Å; T53-F62 HydrophobicContact CG2-CE2 4.15Å; T53-F62 HydrophobicContact CG2-CG 3.76Å; T53-F62 HydrophobicContact CG2-CZ 3.81Å; T53-F95 PolarHBondContact N-O 2.6Å; T53-F95 PolarHBondContact O-N 2.77Å; T53-F95 WeakPolarHBondContact OG1-CB 3.33Å; T53-F95 PolarHBondContact OG1-O 2.82Å; T53-K97 HydrophobicContact CG2-CB 4.36Å; T53-K97 HydrophobicContact CG2-CD 4.44Å
54V90.1Very high88Confident8 Ų843.2 Ų43.25%0.04821%0.211CC..EExtended strand (participates in β ladder)trans-114.1143.316765.30000108.8R56 I61 Y72 F73 L94V54-R56 HydrophobicContact CG1-CG 4.38Å; V54-I61 HydrophobicContact CG1-CB 4.32Å; V54-I61 PolarHBondContact N-O 2.79Å; V54-I61 PolarHBondContact O-N 2.75Å; V54-Y72 HydrophobicContact CG1-CD1 4.12Å; V54-F73 HydrophobicContact CG2-CE1 3.94Å; V54-F73 HydrophobicContact CG2-CZ 4.21Å; V54-L94 HydrophobicContact CB-CD2 4.28Å
55V86.2Confident87.7Confident60 Ų6044.5 Ų44.536%0.36422%0.217SC..EExtended strand (participates in β ladder)trans-88.1120175.1179.80000108.9E59 H60 F95V55-E59 WeakPolarHBondContact CA-O 3.2Å; V55-H60 WeakPolarHBondContact CG2-CE1 3.16Å; V55-F95 HydrophobicContact CG2-CD2 4.04Å; V55-F95 HydrophobicContact CG2-CE2 3.57Å; V55-F95 HydrophobicContact CG2-CZ 4.21Å
56R79.8Confident87.7Confident79 Ų7942.3 Ų42.330%0.29821%0.209SC..EExtended strand (participates in β ladder)trans-134.6133.4173.1-73.4-175.4168-169.7-6.2108.9V54 N58 E59 I61 K71 Y72V54-R56 HydrophobicContact CG1-CG 4.38Å; R56-N58 PolarHBondContact O-N 2.84Å; R56-E59 PolarHBondContact N-O 2.97Å; R56-E59 PolarHBondContact O-N 3.2Å; R56-E59 VanDerWaalsContact O-O 3.08Å; R56-I61 HydrophobicContact CB-CD1 3.86Å; R56-I61 HydrophobicContact CG-CD1 4.45Å; R56-K71 PolarHBondContact NH2-O 2.93Å; R56-Y72 VanDerWaalsContact CZ-O 3.31Å; R56-Y72 PolarHBondContact NE-O 2.93Å; R56-Y72 PolarHBondContact NH2-O 2.86Å
57D74.3Confident87.7Confident145 Ų14543 Ų4378%0.77521%0.213SC*.THydrogen-bonded Turntrans51.738-177.8-53.6-39.7000113.3E59D57-E59 PolarHBondContact O-N 3.43Å
58N77.5Confident87.6Confident159 Ų15947.8 Ų47.885%0.8523%0.233SC*.THydrogen-bonded Turntrans60.514.8-174-58.8-18.4000115.3R56R56-N58 PolarHBondContact O-N 2.84Å
59E79.6Confident87.5Confident43 Ų4345.1 Ų45.120%0.20122%0.221CC..EExtended strand (participates in β ladder)trans-111139.5174.5-67.2177.3-174.700109.8V55 R56 D57 R223 R297V55-E59 WeakPolarHBondContact CA-O 3.2Å; R56-E59 PolarHBondContact N-O 2.97Å; R56-E59 PolarHBondContact O-N 3.2Å; R56-E59 VanDerWaalsContact O-O 3.08Å; D57-E59 PolarHBondContact O-N 3.43Å; E59-R223 IonicContact OE1-CZ 2.92Å; E59-R223 IonicContact OE1-NE 3.58Å; E59-R223 PolarHBondContact OE1-NE 3.3Å; E59-R223 IonicContact OE1-NH2 2.84Å; E59-R223 PolarHBondContact OE1-NH2 3.13Å; E59-R297 IonicContact OE2-CZ 3.34Å; E59-R297 IonicContact OE2-NH1 3.36Å; E59-R297 IonicContact OE2-NH2 3.22Å; E59-R297 PolarHBondContact OE2-NH2 2.92Å
60H85.6Confident87.1Confident72 Ų7246.5 Ų46.533%0.33323%0.232SC..EExtended strand (participates in β ladder)trans-78.1123.9170.4-78.8-92000109.3T53 V55 F95 K97T53-H60 HydrophobicContact CG2-CB 4.43Å; T53-H60 PolarHBondContact OG1-ND1 3.12Å; V55-H60 WeakPolarHBondContact CG2-CE1 3.16Å; H60-F95 AromaticContact CE1-CD2 3.99Å; H60-F95 AromaticContact CE1-CG 3.98Å; H60-K97 PolarHBondContact CD2-NZ 3.22Å; H60-K97 VanDerWaalsContact CE1-CE 3.46Å; H60-K97 WeakPolarHBondContact CE1-CE 3.44Å; H60-K97 PolarHBondContact CE1-NZ 2.85Å; H60-K97 PolarHBondContact ND1-NZ 3.25Å; H60-K97 PolarHBondContact NE2-NZ 3.11Å
61I86.3Confident86.6Confident25 Ų2551.2 Ų51.213%0.12825%0.253CS..EExtended strand (participates in β ladder)trans-111.6119.9175.3-56.9-178.4000108T53 V54 R56T53-I61 CarbonylContact C-O 3.6Å; T53-I61 VanDerWaalsContact CA-O 3.23Å; T53-I61 WeakPolarHBondContact CA-O 3.46Å; V54-I61 HydrophobicContact CG1-CB 4.32Å; V54-I61 PolarHBondContact N-O 2.79Å; V54-I61 PolarHBondContact O-N 2.75Å; R56-I61 HydrophobicContact CB-CD1 3.86Å; R56-I61 HydrophobicContact CG-CD1 4.45Å
62F90.8Very high86Confident13 Ų1351.3 Ų51.36%0.05725%0.253CS..EExtended strand (participates in β ladder)trans-65.5133.7172.3-73.2-85000110.4L52 T53 K97 Q99 T220 H300 H304L52-F62 WeakPolarHBondContact O-CA 3.35Å; T53-F62 HydrophobicContact CG2-CB 4.5Å; T53-F62 HydrophobicContact CG2-CD1 3.38Å; T53-F62 HydrophobicContact CG2-CD2 4.13Å; T53-F62 HydrophobicContact CG2-CE1 3.4Å; T53-F62 HydrophobicContact CG2-CE2 4.15Å; T53-F62 HydrophobicContact CG2-CG 3.76Å; T53-F62 HydrophobicContact CG2-CZ 3.81Å; F62-K97 HydrophobicContact CE1-CB 4.5Å; F62-Q99 HydrophobicContact CD1-CB 4.1Å; F62-Q99 HydrophobicContact CD1-CG 3.84Å; F62-Q99 HydrophobicContact CE1-CB 3.61Å; F62-Q99 HydrophobicContact CE1-CG 3.74Å; F62-Q99 HydrophobicContact CG-CG 4.38Å; F62-Q99 HydrophobicContact CZ-CB 4.17Å; F62-Q99 HydrophobicContact CZ-CG 4.19Å; F62-T220 HydrophobicContact CE2-CG2 4.12Å; F62-H300 PolarHBondContact O-CE1 3.42Å; F62-H300 PolarHBondContact O-ND1 2.94Å; F62-H304 AromaticContact CD2-CE1 3.65Å; F62-H304 AromaticContact CD2-ND1 3.66Å; F62-H304 AromaticContact CE2-CE1 3.59Å
63L90.3Very high85.2Confident7 Ų751.8 Ų51.84%0.03726%0.255CS..PPolyproline II helixtrans-67.7148173.6-76.9150.1000110.1L52 L69 Y72 L94L52-L63 HydrophobicContact CB-CB 4.36Å; L52-L63 HydrophobicContact CB-CD1 3.28Å; L52-L63 HydrophobicContact CB-CG 4.37Å; L52-L63 HydrophobicContact CD1-CD1 4.44Å; L52-L63 HydrophobicContact CG-CD1 4.48Å; L52-L63 WeakPolarHBondContact O-CB 3.35Å; L52-L63 PolarHBondContact O-N 2.75Å; L63-L69 HydrophobicContact CD1-CD2 4.38Å; L63-L69 HydrophobicContact CD2-CD2 3.84Å; L63-Y72 HydrophobicContact CD2-CD1 3.53Å; L63-Y72 HydrophobicContact CD2-CD2 3.31Å; L63-Y72 HydrophobicContact CD2-CE1 3.72Å; L63-Y72 HydrophobicContact CD2-CE2 3.54Å; L63-Y72 HydrophobicContact CD2-CG 3.32Å; L63-Y72 HydrophobicContact CG-CD1 4.37Å; L63-Y72 HydrophobicContact CG-CE1 4.4Å; L63-L94 HydrophobicContact CD1-CD1 4.08Å; L63-L94 HydrophobicContact CD1-CD2 3.55Å; L63-L94 HydrophobicContact CD1-CG 4.45Å
64D89.4Confident83.8Confident6 Ų654.7 Ų54.73%0.03228%0.276CS..PPolyproline II helixtrans-89.4120.7163.3177.8-10000105.3E66 E67 Y72 R299 H300 L303D64-E66 PolarHBondContact O-N 2.82Å; D64-E66 PolarHBondContact OD1-N 3.29Å; D64-E66 VanDerWaalsContact OD1-N 3.14Å; D64-E67 HydrophobicContact CB-CB 4.01Å; D64-E67 HydrophobicContact CB-CG 3.75Å; D64-E67 PolarHBondContact O-N 3.12Å; D64-E67 WeakPolarHBondContact OD2-CG 3.23Å; D64-Y72 WeakPolarHBondContact CB-OH 3.31Å; D64-Y72 PolarHBondContact N-OH 3Å; D64-R299 IonicContact OD2-CZ 2.96Å; D64-R299 IonicContact OD2-NH1 2.63Å; D64-R299 PolarHBondContact OD2-NH1 2.97Å; D64-R299 IonicContact OD2-NH2 3.15Å; D64-R299 PolarHBondContact OD2-NH2 2.96Å; D64-H300 PolarHBondContact N-CE1 3.5Å; D64-H300 VanDerWaalsContact N-CE1 3.31Å; D64-L303 HydrophobicContact CB-CD2 4.36Å
65M88.6Confident82.4Confident34 Ų3462.9 Ų62.917%0.16731%0.311CS..THydrogen-bonded Turntrans-65-25.5-171.6-62.1-55.8-160.200112.1T30 G31 Q32 F35 E67T30-M65 WeakPolarHBondContact CB-O 3.23Å; G31-M65 PolarHBondContact N-O 2.99Å; Q32-M65 HydrophobicContact CB-CB 4.15Å; Q32-M65 WeakPolarHBondContact CB-O 3.44Å; Q32-M65 PolarHBondContact N-O 2.64Å; F35-M65 HydrophobicContact CB-CE 4.31Å; F35-M65 HydrophobicContact CB-SD 4.43Å; F35-M65 HydrophobicContact CD1-CE 4.36Å; F35-M65 HydrophobicContact CD2-CE 3.46Å; F35-M65 VanDerWaalsContact CD2-CE 3.46Å; F35-M65 HydrophobicContact CE2-CE 3.65Å; F35-M65 HydrophobicContact CG-CE 3.81Å; F35-M65 HydrophobicContact CZ-CE 4.16Å; M65-E67 VanDerWaalsContact C-N 3.33Å
66E88.1Confident81.1Confident148 Ų14864.5 Ų64.569%0.69231%0.314SS*.THydrogen-bonded Turntrans-79.8-19.3177.9-60.7179.4178.100112.6D64D64-E66 PolarHBondContact O-N 2.82Å; D64-E66 PolarHBondContact OD1-N 3.29Å; D64-E66 VanDerWaalsContact OD1-N 3.14Å
67E88.4Confident80.1Confident37 Ų3761.6 Ų61.617%0.17330%0.303CS..SBendtrans-85.3144.8-173.8-72.7-75.1-155.900112.6T30 G31 D64 M65 K71 Y72 R299T30-E67 WeakPolarHBondContact CA-O 3.3Å; G31-E67 PolarHBondContact N-O 2.78Å; D64-E67 HydrophobicContact CB-CB 4.01Å; D64-E67 HydrophobicContact CB-CG 3.75Å; D64-E67 PolarHBondContact O-N 3.12Å; D64-E67 WeakPolarHBondContact OD2-CG 3.23Å; M65-E67 VanDerWaalsContact C-N 3.33Å; E67-K71 IonicContact OE1-NZ 3.56Å; E67-K71 PolarHBondContact OE1-NZ 3.4Å; E67-K71 VanDerWaalsContact OE2-CD 3.23Å; E67-K71 WeakPolarHBondContact OE2-CD 3.47Å; E67-K71 WeakPolarHBondContact OE2-CE 3.15Å; E67-K71 IonicContact OE2-NZ 2.88Å; E67-K71 PolarHBondContact OE2-NZ 3.23Å; E67-Y72 HydrophobicContact CB-CE2 3.79Å; E67-R299 IonicContact OE1-NH1 3.77Å; E67-R299 PolarHBondContact OE1-NH1 2.71Å; E67-R299 VanDerWaalsContact OE1-NH1 3.17Å
68K88.9Confident79Confident106 Ų10664 Ų6446%0.46130%0.301SS..BIsolated β-bridgetrans-67.9136.5177.3-68.5178.9179.8168.20110.8A70 K71K68-A70 PolarHBondContact O-N 2.92Å; K68-K71 WeakPolarHBondContact O-CB 3.22Å; K68-K71 PolarHBondContact O-N 3.43Å
69L85.8Confident77.9Confident0 Ų063.3 Ų63.30%029%0.293CS..G310 helixtrans-59.1-26.8178.5-68.1166.8000113.1I25 S29 V34 L63 K71 Y72 F73 W77 L94I25-L69 HydrophobicContact CD1-CD1 3.31Å; S29-L69 PolarHBondContact O-N 3.23Å; V34-L69 HydrophobicContact CG2-CD1 3.46Å; V34-L69 VanDerWaalsContact CG2-CD1 3.46Å; L63-L69 HydrophobicContact CD1-CD2 4.38Å; L63-L69 HydrophobicContact CD2-CD2 3.84Å; L69-K71 PolarHBondContact O-N 3.29Å; L69-K71 VanDerWaalsContact O-N 3.1Å; L69-Y72 WeakPolarHBondContact O-CA 3.16Å; L69-Y72 PolarHBondContact O-N 2.87Å; L69-F73 HydrophobicContact CB-CD2 4.35Å; L69-F73 HydrophobicContact CD2-CE2 4.35Å; L69-F73 WeakPolarHBondContact O-CD2 3.18Å; L69-F73 PolarHBondContact O-N 2.85Å; L69-F73 VanDerWaalsContact O-N 3.12Å; L69-W77 HydrophobicContact CB-CH2 4.32Å; L69-W77 HydrophobicContact CB-CZ3 4.17Å; L69-L94 HydrophobicContact CD2-CD1 4.35Å
70A84.1Confident76.5Confident29 Ų2965.6 Ų65.624%0.2431%0.307CS..G310 helixtrans-54.8-27.4173.400000114.2K68 Y72 S74 W77K68-A70 PolarHBondContact O-N 2.92Å; A70-Y72 VanDerWaalsContact C-N 3.33Å; A70-S74 WeakPolarHBondContact O-CA 3.48Å; A70-S74 WeakPolarHBondContact O-CB 3.48Å; A70-S74 PolarHBondContact O-N 3.18Å; A70-S74 PolarHBondContact O-OG 2.92Å; A70-W77 HydrophobicContact CB-CD2 3.95Å; A70-W77 HydrophobicContact CB-CG 3.95Å; A70-W77 HydrophobicContact CB-CZ2 4.31Å
71K84.4Confident74.6Confident103 Ų10367.6 Ų67.645%0.44833%0.329SS..G310 helixtrans-72.2-27174.9-69.1-174.7173.8179.70112.4R56 E67 K68 L69 S74R56-K71 PolarHBondContact NH2-O 2.93Å; E67-K71 IonicContact OE1-NZ 3.56Å; E67-K71 PolarHBondContact OE1-NZ 3.4Å; E67-K71 VanDerWaalsContact OE2-CD 3.23Å; E67-K71 WeakPolarHBondContact OE2-CD 3.47Å; E67-K71 WeakPolarHBondContact OE2-CE 3.15Å; E67-K71 IonicContact OE2-NZ 2.88Å; E67-K71 PolarHBondContact OE2-NZ 3.23Å; K68-K71 WeakPolarHBondContact O-CB 3.22Å; K68-K71 PolarHBondContact O-N 3.43Å; L69-K71 PolarHBondContact O-N 3.29Å; L69-K71 VanDerWaalsContact O-N 3.1Å; K71-S74 PolarHBondContact O-OG 3.32Å
72Y81.6Confident72.8Confident3 Ų369.3 Ų69.31%0.01235%0.352CS..THydrogen-bonded Turntrans-92.6-22.5-177.4-60.4-90.9000113.2V54 R56 L63 D64 E67 L69 A70 F296 H300V54-Y72 HydrophobicContact CG1-CD1 4.12Å; R56-Y72 VanDerWaalsContact CZ-O 3.31Å; R56-Y72 PolarHBondContact NE-O 2.93Å; R56-Y72 PolarHBondContact NH2-O 2.86Å; L63-Y72 HydrophobicContact CD2-CD1 3.53Å; L63-Y72 HydrophobicContact CD2-CD2 3.31Å; L63-Y72 HydrophobicContact CD2-CE1 3.72Å; L63-Y72 HydrophobicContact CD2-CE2 3.54Å; L63-Y72 HydrophobicContact CD2-CG 3.32Å; L63-Y72 HydrophobicContact CG-CD1 4.37Å; L63-Y72 HydrophobicContact CG-CE1 4.4Å; D64-Y72 WeakPolarHBondContact CB-OH 3.31Å; D64-Y72 PolarHBondContact N-OH 3Å; E67-Y72 HydrophobicContact CB-CE2 3.79Å; L69-Y72 WeakPolarHBondContact O-CA 3.16Å; L69-Y72 PolarHBondContact O-N 2.87Å; A70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-F296 AromaticContact CD1-CZ 3.96Å; Y72-F296 HydrophobicContact CD1-CZ 3.96Å; Y72-F296 HydrophobicContact CE1-CE1 4.35Å; Y72-F296 HydrophobicContact CE1-CE2 4.16Å; Y72-F296 AromaticContact CE1-CZ 3.41Å; Y72-F296 HydrophobicContact CE1-CZ 3.41Å; Y72-F296 VanDerWaalsContact CE1-CZ 3.41Å; Y72-F296 AromaticContact CZ-CZ 3.93Å; Y72-H300 AromaticContact CE1-CE1 3.66Å; Y72-H300 AromaticContact CE1-NE2 3.55Å; Y72-H300 AromaticContact CZ-CE1 3.71Å; Y72-H300 AromaticContact CZ-NE2 3.62Å; Y72-H300 PolarHBondContact OH-CE1 3.13Å; Y72-H300 PolarHBondContact OH-NE2 3.42Å
73F77.8Confident70.4Confident10 Ų1078.2 Ų78.24%0.04439%0.391CS..SBendtrans-118.721.1-178.7-63.9-72.9000113.5V54 L69 K75 E76 W77 L92 L94V54-F73 HydrophobicContact CG2-CE1 3.94Å; V54-F73 HydrophobicContact CG2-CZ 4.21Å; L69-F73 HydrophobicContact CB-CD2 4.35Å; L69-F73 HydrophobicContact CD2-CE2 4.35Å; L69-F73 WeakPolarHBondContact O-CD2 3.18Å; L69-F73 PolarHBondContact O-N 2.85Å; L69-F73 VanDerWaalsContact O-N 3.12Å; F73-K75 PolarHBondContact O-N 3.05Å; F73-E76 PolarHBondContact O-N 3.12Å; F73-W77 HydrophobicContact CB-CB 4.2Å; F73-W77 HydrophobicContact CB-CE3 4.12Å; F73-W77 WeakPolarHBondContact O-CB 3.49Å; F73-W77 PolarHBondContact O-N 3.04Å; F73-L92 HydrophobicContact CB-CD2 3.95Å; F73-L92 HydrophobicContact CD1-CB 4.3Å; F73-L92 HydrophobicContact CD1-CD2 3.65Å; F73-L92 HydrophobicContact CD1-CG 4.43Å; F73-L92 HydrophobicContact CD2-CD1 4.2Å; F73-L92 HydrophobicContact CD2-CD2 4.48Å; F73-L92 HydrophobicContact CE1-CB 4.01Å; F73-L92 HydrophobicContact CE1-CD2 4.19Å; F73-L92 HydrophobicContact CE2-CB 4.33Å; F73-L92 HydrophobicContact CG-CD1 4.26Å; F73-L92 HydrophobicContact CG-CD2 3.79Å; F73-L92 HydrophobicContact CG-CG 4.43Å; F73-L92 HydrophobicContact CZ-CB 4.01Å; F73-L94 HydrophobicContact CE2-CD2 3.9Å; F73-L94 HydrophobicContact CE2-CG 4.37Å; F73-L94 HydrophobicContact CZ-CD2 3.48Å; F73-L94 VanDerWaalsContact CZ-CD2 3.48Å; F73-L94 HydrophobicContact CZ-CG 3.98Å
74S62.4Low68.1Low61 Ų6182.3 Ų82.343%0.42744%0.436SS..THydrogen-bonded Turntrans-52.6-23.3-162.4-44.40000116.5A70 K71 R78A70-S74 WeakPolarHBondContact O-CA 3.48Å; A70-S74 WeakPolarHBondContact O-CB 3.48Å; A70-S74 PolarHBondContact O-N 3.18Å; A70-S74 PolarHBondContact O-OG 2.92Å; K71-S74 PolarHBondContact O-OG 3.32Å; S74-R78 WeakPolarHBondContact O-CG 3.33Å
75K61.6Low65.6Low180 Ų18087.1 Ų87.178%0.78347%0.465SS*.THydrogen-bonded Turntrans-81.5-45.8175.1-68.1-178.1-179.6177.30112.2F73F73-K75 PolarHBondContact O-N 3.05Å
76E58.5Low63.5Low94 Ų9494.5 Ų94.544%0.43950%0.504SS..THydrogen-bonded Turntrans-76.5-27.6177.4-55.977.6-152.500111.6F73 R78 L92F73-E76 PolarHBondContact O-N 3.12Å; E76-R78 PolarHBondContact O-N 3.28Å; E76-L92 HydrophobicContact CB-CD2 3.84Å
77W58.3Low61.5Low19 Ų1995 Ų957%0.07250%0.504CS..THydrogen-bonded Turntrans-73.5-21.9-175.8-164.9-86.5000113.9R9 I25 L27 L69 A70 F73 L92R9-W77 VanDerWaalsContact CZ-O 3.26Å; R9-W77 VanDerWaalsContact NH1-CA 3.35Å; R9-W77 VanDerWaalsContact NH1-CE3 3.32Å; R9-W77 PolarHBondContact NH1-O 3Å; R9-W77 PolarHBondContact NH2-O 2.87Å; I25-W77 HydrophobicContact CD1-CH2 4.26Å; L27-W77 HydrophobicContact CB-CZ2 4.46Å; L27-W77 HydrophobicContact CD2-CZ2 4Å; L27-W77 WeakPolarHBondContact O-CZ2 3.29Å; L69-W77 HydrophobicContact CB-CH2 4.32Å; L69-W77 HydrophobicContact CB-CZ3 4.17Å; A70-W77 HydrophobicContact CB-CD2 3.95Å; A70-W77 HydrophobicContact CB-CG 3.95Å; A70-W77 HydrophobicContact CB-CZ2 4.31Å; F73-W77 HydrophobicContact CB-CB 4.2Å; F73-W77 HydrophobicContact CB-CE3 4.12Å; F73-W77 WeakPolarHBondContact O-CB 3.49Å; F73-W77 PolarHBondContact O-N 3.04Å; W77-L92 HydrophobicContact CE3-CD1 3.58Å; W77-L92 HydrophobicContact CZ3-CD1 3.46Å; W77-L92 VanDerWaalsContact CZ3-CD1 3.46Å
78R51.8Low59.3Low195 Ų195104.3 Ų104.374%0.73654%0.538SS*.THydrogen-bonded Turntrans-97.7-5.1-176.9-70.3-78.3-160.1-144.50.6113.3S74 E76 D80S74-R78 WeakPolarHBondContact O-CG 3.33Å; E76-R78 PolarHBondContact O-N 3.28Å; R78-D80 PolarHBondContact O-N 2.61Å; R78-D80 VanDerWaalsContact O-N 3.11Å
79Q53.2Low57.6Low144 Ų144106.7 Ų106.767%0.67355%0.551SS**THydrogen-bonded Turntrans-76.13.2-170-140.9170.935.500114.6
80D50.7Low56.3Low92 Ų92113.2 Ų113.249%0.49258%0.584SS.*THydrogen-bonded Turntrans-83-7.9177.9-75.8-13.2000114.2R9 R78R9-D80 IonicContact CZ-OD2 3.35Å; R9-D80 IonicContact NE-OD2 2.65Å; R9-D80 PolarHBondContact NE-OD2 2.86Å; R9-D80 IonicContact NH2-OD2 3.52Å; R9-D80 PolarHBondContact NH2-OD2 2.75Å; R78-D80 PolarHBondContact O-N 2.61Å; R78-D80 VanDerWaalsContact O-N 3.11Å
81S46.3Very low55.4Low113 Ų113115.6 Ų115.679%0.7960%0.597SS**SBendtrans-104.718.1-167.472.50000116.9
82G48.3Very low55.4Low61 Ų61111.4 Ų111.463%0.62958%0.579SS**SBendtrans175.5120.217300000117.6
83K40.4Very low55.7Low200 Ų200114.7 Ų114.787%0.8760%0.597SS**  trans84.487.1162.3-57.7-175.3176.7-177.10117.1T85K83-T85 VanDerWaalsContact C-N 3.27Å; K83-T85 PolarHBondContact O-N 3.41Å; K83-T85 PolarHBondContact O-OG1 3.42Å
84G42.3Very low56.5Low94 Ų94114.2 Ų114.297%0.96960%0.595SS**  58.522109.700000119.1
85T37Very low58Low106 Ų106113.1 Ų113.165%0.6558%0.582SS**  trans-131.8127.7171.7-19.50000108.6K83 K87K83-T85 VanDerWaalsContact C-N 3.27Å; K83-T85 PolarHBondContact O-N 3.41Å; K83-T85 PolarHBondContact O-OG1 3.42Å; T85-K87 PolarHBondContact O-N 2.71Å
86L43.2Very low59.6Low189 Ų189104.6 Ų104.699%0.9955%0.545SS*.  trans-62.749.8177-125.6107.2000112.1R88L86-R88 PolarHBondContact O-N 2.66Å
87K46.8Very low61.3Low158 Ų158101.8 Ų101.869%0.68753%0.531SS*.  trans-76.9108.8173.4-76.3-172.2178.1-177.50107T85 Q89T85-K87 PolarHBondContact O-N 2.71Å; K87-Q89 PolarHBondContact O-N 3.29Å
88R42.1Very low63Low234 Ų234100.9 Ų100.988%0.88353%0.528SS*.  trans-32.7111.5169.7-166176.4-172.9175.81.7109L86 I90L86-R88 PolarHBondContact O-N 2.66Å; R88-I90 PolarHBondContact O-N 2.91Å
89Q54.1Low65Low156 Ų15692.6 Ų92.673%0.72950%0.498SS*.  trans-54.1112.1173.7-77.4-179.8-17.900106.5K87 P91K87-Q89 PolarHBondContact O-N 3.29Å; Q89-P91 VanDerWaalsContact O-CD 3.32Å; Q89-P91 WeakPolarHBondContact O-CD 3.39Å
90I56.8Low66.8Low136 Ų13686.5 Ų86.570%0.69747%0.469SS*.PPolyproline II helixtrans-69.5117.8176.8-62.2171000104.9R88 L92R88-I90 PolarHBondContact O-N 2.91Å; I90-L92 PolarHBondContact O-N 3.44Å
91P66.2Low68.8Low79 Ų7983.1 Ų83.151%0.51345%0.45SS..PPolyproline II helixtrans-60.4133.2-179.623.5-31.1000108.7C12 Q89 L93C12-P91 HydrophobicContact CB-CB 4.11Å; Q89-P91 VanDerWaalsContact O-CD 3.32Å; Q89-P91 WeakPolarHBondContact O-CD 3.39Å; P91-L93 PolarHBondContact O-N 2.66Å; P91-L93 VanDerWaalsContact O-N 3.14Å
92L83.8Confident71Confident16 Ų1677.8 Ų77.88%0.08441%0.412CS..EExtended strand (participates in β ladder)trans-64.3116.7175.5-59.5177.8000107.3V11 C12 F73 E76 W77 I90V11-L92 CarbonylContact C-O 3.53Å; V11-L92 WeakPolarHBondContact CA-O 3.28Å; V11-L92 HydrophobicContact CB-CB 4.5Å; V11-L92 HydrophobicContact CG1-CB 4.27Å; V11-L92 VanDerWaalsContact CG1-O 3.3Å; V11-L92 WeakPolarHBondContact CG1-O 3.43Å; V11-L92 HydrophobicContact CG2-CB 4.12Å; V11-L92 HydrophobicContact CG2-CD1 4.15Å; C12-L92 PolarHBondContact N-O 3.26Å; F73-L92 HydrophobicContact CB-CD2 3.95Å; F73-L92 HydrophobicContact CD1-CB 4.3Å; F73-L92 HydrophobicContact CD1-CD2 3.65Å; F73-L92 HydrophobicContact CD1-CG 4.43Å; F73-L92 HydrophobicContact CD2-CD1 4.2Å; F73-L92 HydrophobicContact CD2-CD2 4.48Å; F73-L92 HydrophobicContact CE1-CB 4.01Å; F73-L92 HydrophobicContact CE1-CD2 4.19Å; F73-L92 HydrophobicContact CE2-CB 4.33Å; F73-L92 HydrophobicContact CG-CD1 4.26Å; F73-L92 HydrophobicContact CG-CD2 3.79Å; F73-L92 HydrophobicContact CG-CG 4.43Å; F73-L92 HydrophobicContact CZ-CB 4.01Å; E76-L92 HydrophobicContact CB-CD2 3.84Å; W77-L92 HydrophobicContact CE3-CD1 3.58Å; W77-L92 HydrophobicContact CZ3-CD1 3.46Å; W77-L92 VanDerWaalsContact CZ3-CD1 3.46Å; I90-L92 PolarHBondContact O-N 3.44Å
93L89.3Confident73.1Confident72 Ų7276.9 Ų76.938%0.37739%0.392SS..EExtended strand (participates in β ladder)trans-98.1120.8-174.7-175.762.9000110.6C12 L14 P91 F95C12-L93 HydrophobicContact CB-CD1 4.29Å; C12-L93 CarbonylContact O-C 3.55Å; C12-L93 WeakPolarHBondContact O-CA 3.49Å; L14-L93 HydrophobicContact CB-CD1 4.47Å; P91-L93 PolarHBondContact O-N 2.66Å; P91-L93 VanDerWaalsContact O-N 3.14Å; L93-F95 HydrophobicContact CD2-CE1 4.29Å; L93-F95 HydrophobicContact CD2-CE2 3.78Å; L93-F95 HydrophobicContact CD2-CZ 3.44Å; L93-F95 VanDerWaalsContact CD2-CZ 3.44Å; L93-F95 HydrophobicContact CG-CD2 4.48Å; L93-F95 HydrophobicContact CG-CE2 3.78Å; L93-F95 HydrophobicContact CG-CZ 3.86Å
94L93Very high75.5Confident0 Ų068 Ų680%035%0.353CS..EExtended strand (participates in β ladder)trans-113155.6168.9-67.8-178.8000110.1V11 C12 V13 L14 V34 L52 V54 L63 L69 F73V11-L94 HydrophobicContact CG1-CB 4.33Å; V11-L94 HydrophobicContact CG1-CD1 3.64Å; V11-L94 HydrophobicContact CG1-CG 3.75Å; C12-L94 PolarHBondContact O-N 2.73Å; V13-L94 CarbonylContact C-O 3.56Å; V13-L94 WeakPolarHBondContact CA-O 3.12Å; V13-L94 HydrophobicContact CG2-CB 4.31Å; L14-L94 PolarHBondContact N-O 3.1Å; V34-L94 HydrophobicContact CG1-CD1 4.15Å; L52-L94 HydrophobicContact CD1-CD1 4.4Å; V54-L94 HydrophobicContact CB-CD2 4.28Å; L63-L94 HydrophobicContact CD1-CD1 4.08Å; L63-L94 HydrophobicContact CD1-CD2 3.55Å; L63-L94 HydrophobicContact CD1-CG 4.45Å; L69-L94 HydrophobicContact CD2-CD1 4.35Å; F73-L94 HydrophobicContact CE2-CD2 3.9Å; F73-L94 HydrophobicContact CE2-CG 4.37Å; F73-L94 HydrophobicContact CZ-CD2 3.48Å; F73-L94 VanDerWaalsContact CZ-CD2 3.48Å; F73-L94 HydrophobicContact CZ-CG 3.98Å
95F94.1Very high77.8Confident37 Ų3763.5 Ų63.516%0.16231%0.307CS..EExtended strand (participates in β ladder)trans-123.5123174.9-58.2-101.6000108.8L14 L52 T53 V55 H60 L93 K97L14-F95 HydrophobicContact CB-CD1 3.77Å; L14-F95 HydrophobicContact CB-CE1 4.13Å; L14-F95 HydrophobicContact CB-CG 4.48Å; L14-F95 HydrophobicContact CD2-CD1 3.63Å; L14-F95 HydrophobicContact CD2-CE1 3.51Å; L14-F95 HydrophobicContact CG-CD1 4.25Å; L14-F95 HydrophobicContact CG-CE1 4.45Å; L14-F95 WeakPolarHBondContact O-CA 3.31Å; L52-F95 CarbonylContact C-O 3.56Å; T53-F95 PolarHBondContact N-O 2.6Å; T53-F95 PolarHBondContact O-N 2.77Å; T53-F95 WeakPolarHBondContact OG1-CB 3.33Å; T53-F95 PolarHBondContact OG1-O 2.82Å; V55-F95 HydrophobicContact CG2-CD2 4.04Å; V55-F95 HydrophobicContact CG2-CE2 3.57Å; V55-F95 HydrophobicContact CG2-CZ 4.21Å; H60-F95 AromaticContact CE1-CD2 3.99Å; H60-F95 AromaticContact CE1-CG 3.98Å; L93-F95 HydrophobicContact CD2-CE1 4.29Å; L93-F95 HydrophobicContact CD2-CE2 3.78Å; L93-F95 HydrophobicContact CD2-CZ 3.44Å; L93-F95 VanDerWaalsContact CD2-CZ 3.44Å; L93-F95 HydrophobicContact CG-CD2 4.48Å; L93-F95 HydrophobicContact CG-CE2 3.78Å; L93-F95 HydrophobicContact CG-CZ 3.86Å; F95-K97 HydrophobicContact CB-CG 4.34Å
96L95.3Very high80.4Confident2 Ų261.8 Ų61.81%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-78.3122167.4-174.574.2000107.9V13 L14 L15 P16 F35 M47 F50 L52V13-L96 HydrophobicContact CG1-CB 4.23Å; L14-L96 PolarHBondContact O-N 3.23Å; L15-L96 HydrophobicContact CD2-CB 3.98Å; L15-L96 HydrophobicContact CD2-CD2 3.59Å; L15-L96 HydrophobicContact CD2-CG 4.44Å; P16-L96 WeakPolarHBondContact CD-O 3.44Å; P16-L96 WeakPolarHBondContact CG-O 3.28Å; F35-L96 HydrophobicContact CD2-CD1 4.45Å; F35-L96 HydrophobicContact CE2-CD1 3.92Å; M47-L96 HydrophobicContact CE-CD1 4.16Å; M47-L96 HydrophobicContact CE-CD2 4.12Å; F50-L96 HydrophobicContact CB-CD1 3.69Å; F50-L96 HydrophobicContact CB-CG 4.12Å; F50-L96 HydrophobicContact CD1-CG 4.48Å; F50-L96 HydrophobicContact CG-CD1 4.47Å; F50-L96 HydrophobicContact CG-CG 4.45Å; L52-L96 HydrophobicContact CD2-CB 4.33Å; L52-L96 HydrophobicContact CD2-CD1 3.93Å
97K94.5Very high82.6Confident34 Ų3452.8 Ų52.815%0.14824%0.242CC..EExtended strand (participates in β ladder)trans-134.4157.4-179.4-71.4-165.4164.9-172.20110.7F50 G51 T53 H60 F62 F95 Q99F50-K97 CarbonylContact C-O 3.59Å; F50-K97 VanDerWaalsContact CA-O 3.29Å; F50-K97 WeakPolarHBondContact CA-O 3.32Å; G51-K97 PolarHBondContact N-O 3.28Å; G51-K97 PolarHBondContact O-N 3.1Å; T53-K97 HydrophobicContact CG2-CB 4.36Å; T53-K97 HydrophobicContact CG2-CD 4.44Å; H60-K97 PolarHBondContact CD2-NZ 3.22Å; H60-K97 VanDerWaalsContact CE1-CE 3.46Å; H60-K97 WeakPolarHBondContact CE1-CE 3.44Å; H60-K97 PolarHBondContact CE1-NZ 2.85Å; H60-K97 PolarHBondContact ND1-NZ 3.25Å; H60-K97 PolarHBondContact NE2-NZ 3.11Å; F62-K97 HydrophobicContact CE1-CB 4.5Å; F95-K97 HydrophobicContact CB-CG 4.34Å; K97-Q99 PolarHBondContact O-N 2.64Å
98V94.4Very high84.8Confident0 Ų045.3 Ų45.30%021%0.209CC..EExtended strand (participates in β ladder)trans-64.8124.1168.4175.60000108.2F50 F100 Y101 Y117 D120F50-V98 HydrophobicContact CD1-CG2 4.04Å; F50-V98 HydrophobicContact CE1-CG2 3.84Å; V98-F100 WeakPolarHBondContact CG1-O 3.47Å; V98-Y101 HydrophobicContact CB-CE1 3.92Å; V98-Y101 HydrophobicContact CG1-CD1 3.72Å; V98-Y101 HydrophobicContact CG1-CE1 3.49Å; V98-Y101 VanDerWaalsContact CG1-CE1 3.49Å; V98-Y101 HydrophobicContact CG1-CE2 4.41Å; V98-Y101 HydrophobicContact CG1-CG 4.22Å; V98-Y101 PolarHBondContact O-OH 3.32Å; V98-Y117 HydrophobicContact CB-CD2 4.4Å; V98-Y117 HydrophobicContact CB-CE2 4.36Å; V98-Y117 HydrophobicContact CG1-CD2 3.9Å; V98-Y117 HydrophobicContact CG1-CE2 3.46Å; V98-Y117 VanDerWaalsContact CG1-CE2 3.46Å; V98-Y117 HydrophobicContact CG2-CD2 3.53Å; V98-Y117 HydrophobicContact CG2-CE2 3.93Å; V98-Y117 HydrophobicContact CG2-CG 4.16Å; V98-D120 HydrophobicContact CB-CB 4.34Å; V98-D120 HydrophobicContact CG2-CB 3.6Å
99Q93.1Very high87Confident22 Ų2236 Ų3610%0.10318%0.18CC..  trans-97.6-45.8176.1-173.7168.9-1.400110.1Y49 F62 K97 H304Y49-Q99 PolarHBondContact O-N 3.45Å; F62-Q99 HydrophobicContact CD1-CB 4.1Å; F62-Q99 HydrophobicContact CD1-CG 3.84Å; F62-Q99 HydrophobicContact CE1-CB 3.61Å; F62-Q99 HydrophobicContact CE1-CG 3.74Å; F62-Q99 HydrophobicContact CG-CG 4.38Å; F62-Q99 HydrophobicContact CZ-CB 4.17Å; F62-Q99 HydrophobicContact CZ-CG 4.19Å; K97-Q99 PolarHBondContact O-N 2.64Å; Q99-H304 VanDerWaalsContact CG-NE2 3.27Å; Q99-H304 WeakPolarHBondContact CG-NE2 3.39Å; Q99-H304 PolarHBondContact O-NE2 3.2Å
100F92.4Very high88.8Confident16 Ų1630.8 Ų30.87%0.0716%0.156CC..SBendtrans-112.7114.2179.7-51.8-72.7000109.9H48 Y49 V98 H304 N307 S308 V311H48-F100 VanDerWaalsContact O-CD2 3.27Å; H48-F100 WeakPolarHBondContact O-CD2 3.48Å; Y49-F100 PolarHBondContact O-N 2.77Å; Y49-F100 VanDerWaalsContact O-N 3.13Å; V98-F100 WeakPolarHBondContact CG1-O 3.47Å; F100-H304 AromaticContact CE1-CD2 3.85Å; F100-N307 HydrophobicContact CE1-CB 3.74Å; F100-N307 HydrophobicContact CZ-CB 3.57Å; F100-S308 WeakPolarHBondContact CE1-OG 3.42Å; F100-V311 HydrophobicContact CB-CG1 4.12Å; F100-V311 HydrophobicContact CD1-CB 4.42Å; F100-V311 HydrophobicContact CD1-CG2 4.18Å; F100-V311 HydrophobicContact CD2-CG2 4.38Å; F100-V311 HydrophobicContact CE1-CG2 4.48Å; F100-V311 HydrophobicContact CG-CG1 4.48Å; F100-V311 HydrophobicContact CG-CG2 4.12Å
101Y92.8Very high90.5Very high20 Ų2032.8 Ų32.88%0.07815%0.154CC..  trans-75.4149.3176.5-67-76.8000110.5V98 Y117 D120 L121 R124 P218 L241V98-Y101 HydrophobicContact CB-CE1 3.92Å; V98-Y101 HydrophobicContact CG1-CD1 3.72Å; V98-Y101 HydrophobicContact CG1-CE1 3.49Å; V98-Y101 VanDerWaalsContact CG1-CE1 3.49Å; V98-Y101 HydrophobicContact CG1-CE2 4.41Å; V98-Y101 HydrophobicContact CG1-CG 4.22Å; V98-Y101 PolarHBondContact O-OH 3.32Å; Y101-Y117 WeakPolarHBondContact CA-OH 3.23Å; Y101-Y117 WeakPolarHBondContact CD1-OH 3.46Å; Y101-D120 PolarHBondContact OH-OD2 2.73Å; Y101-L121 HydrophobicContact CD1-CD1 4.15Å; Y101-L121 HydrophobicContact CE1-CD1 4.05Å; Y101-R124 PolarHBondContact OH-NE 3.41Å; Y101-R124 PolarHBondContact OH-NH2 2.87Å; Y101-P218 HydrophobicContact CD1-CB 4.13Å; Y101-P218 HydrophobicContact CD2-CB 4.37Å; Y101-P218 HydrophobicContact CG-CB 3.91Å; Y101-L241 WeakPolarHBondContact O-CD2 3.37Å
102V92.4Very high91.8Very high1 Ų134.3 Ų34.31%0.00615%0.153CC..  trans-132130.5175.3-177.20000108.7Y49 L107 F108 Y117 L315Y49-V102 HydrophobicContact CD1-CG2 3.6Å; Y49-V102 HydrophobicContact CE1-CG2 3.4Å; Y49-V102 VanDerWaalsContact CE1-CG2 3.4Å; V102-L107 HydrophobicContact CG1-CB 4.26Å; V102-L107 HydrophobicContact CG1-CD1 3.37Å; V102-L107 HydrophobicContact CG1-CG 4.35Å; V102-F108 HydrophobicContact CB-CZ 3.97Å; V102-F108 HydrophobicContact CG2-CE1 4.38Å; V102-F108 HydrophobicContact CG2-CZ 4.21Å; V102-Y117 PolarHBondContact N-OH 3.29Å; V102-Y117 PolarHBondContact O-OH 3.29Å; V102-Y117 VanDerWaalsContact O-OH 3.05Å; V102-L315 HydrophobicContact CG1-CD1 4.38Å; V102-L315 HydrophobicContact CG2-CD1 3.85Å
103E90.9Very high92.4Very high43 Ų4333.6 Ų33.620%0.20115%0.149CC..SBendtrans-74.8-23-175.466.4178.4-179.600114C212 L241 R242 L319 R323E103-C212 HydrophobicContact CB-CB 4.48Å; E103-L241 HydrophobicContact CB-CD1 4.37Å; E103-R242 IonicContact OE2-CZ 2.63Å; E103-R242 IonicContact OE2-NH2 3.71Å; E103-R242 PolarHBondContact OE2-NH2 3.1Å; E103-L319 HydrophobicContact CG-CD1 4.2Å; E103-L319 HydrophobicContact CG-CD2 3.76Å; E103-R323 IonicContact OE1-NH2 2.67Å
104N91.4Very high92.6Very high12 Ų1231 Ų316%0.06413%0.134CC..  trans-123.2113.9-177.4-163.7-32.8000111.6R106 L107 L319 L322 E326N104-R106 PolarHBondContact O-N 3.01Å; N104-R106 VanDerWaalsContact O-N 3.12Å; N104-R106 WeakPolarHBondContact OD1-CB 3.48Å; N104-R106 WeakPolarHBondContact OD1-CG 3.25Å; N104-R106 PolarHBondContact OD1-N 3.31Å; N104-R106 VanDerWaalsContact OD1-N 3.07Å; N104-L107 PolarHBondContact O-N 3.07Å; N104-L319 HydrophobicContact CB-CD2 3.94Å; N104-L322 HydrophobicContact CB-CD1 4.23Å; N104-E326 PolarHBondContact ND2-OE1 3.12Å
105G90.7Very high92.7Very high0 Ų033.8 Ų33.80%015%0.147CC..G310 helixtrans-63.9-16-178.800000115L107 F108 F205G105-L107 PolarHBondContact O-N 3.49Å; G105-F108 WeakPolarHBondContact O-CD2 3.33Å; G105-F108 PolarHBondContact O-N 3.35Å; G105-F108 VanDerWaalsContact O-N 3.16Å; G105-F205 VanDerWaalsContact C-CD1 3.41Å; G105-F205 WeakPolarHBondContact O-CE1 3.27Å
106R90.9Very high92.8Very high70 Ų7032.6 Ų32.626%0.26414%0.142SC..G310 helixtrans-65-17.2177.1-68.1-177.8176.9172.14.1113.7N104 F108 F205 L322 E326N104-R106 PolarHBondContact O-N 3.01Å; N104-R106 VanDerWaalsContact O-N 3.12Å; N104-R106 WeakPolarHBondContact OD1-CB 3.48Å; N104-R106 WeakPolarHBondContact OD1-CG 3.25Å; N104-R106 PolarHBondContact OD1-N 3.31Å; N104-R106 VanDerWaalsContact OD1-N 3.07Å; R106-F108 VanDerWaalsContact C-N 3.26Å; R106-F108 PolarHBondContact O-N 2.86Å; R106-F205 HydrophobicContact CG-CD2 3.87Å; R106-F205 HydrophobicContact CG-CE2 3.84Å; R106-F205 HydrophobicContact CG-CG 4.23Å; R106-F205 HydrophobicContact CG-CZ 4.16Å; R106-L322 HydrophobicContact CB-CD1 4.25Å; R106-L322 HydrophobicContact CB-CD2 4.21Å; R106-E326 IonicContact CZ-OE1 2.84Å; R106-E326 IonicContact NE-OE1 2.95Å; R106-E326 IonicContact NH1-OE1 2.68Å; R106-E326 PolarHBondContact NH1-OE1 3.31Å
107L90.6Very high92.9Very high1 Ų132.5 Ų32.51%0.00514%0.142CC..G310 helixtrans-71.4-22.5176.1-66.4170.7000112.5V102 N104 G105 C109 L315 A318 L319 L322 L445 L449V102-L107 HydrophobicContact CG1-CB 4.26Å; V102-L107 HydrophobicContact CG1-CD1 3.37Å; V102-L107 HydrophobicContact CG1-CG 4.35Å; N104-L107 PolarHBondContact O-N 3.07Å; G105-L107 PolarHBondContact O-N 3.49Å; L107-C109 PolarHBondContact O-N 2.93Å; L107-L315 HydrophobicContact CD1-CD2 4.29Å; L107-A318 HydrophobicContact CD2-CB 3.65Å; L107-L319 HydrophobicContact CD1-CD2 3.6Å; L107-L319 HydrophobicContact CD1-CG 4.06Å; L107-L322 HydrophobicContact CD2-CD1 3.67Å; L107-L322 HydrophobicContact CG-CD1 3.82Å; L107-L445 HydrophobicContact CD2-CD2 4.2Å; L107-L449 HydrophobicContact CD2-CD1 4.24Å; L107-L449 HydrophobicContact CD2-CD2 4.5Å
108F91.9Very high93Very high0 Ų031.1 Ų31.10%014%0.136CC..  trans-77.4113176.7-54.3-59.8000110.5Y49 V102 G105 R106 V113 R114 Y117 I208Y49-F108 HydrophobicContact CD1-CE1 4.19Å; Y49-F108 AromaticContact CD2-CD1 3.84Å; Y49-F108 HydrophobicContact CD2-CD1 3.84Å; Y49-F108 AromaticContact CD2-CE1 3.54Å; Y49-F108 HydrophobicContact CD2-CE1 3.54Å; Y49-F108 HydrophobicContact CE1-CE1 4.24Å; Y49-F108 AromaticContact CE2-CD1 3.57Å; Y49-F108 HydrophobicContact CE2-CD1 3.57Å; Y49-F108 AromaticContact CE2-CE1 3.54Å; Y49-F108 HydrophobicContact CE2-CE1 3.54Å; Y49-F108 AromaticContact CG-CE1 3.85Å; Y49-F108 HydrophobicContact CG-CE1 3.85Å; Y49-F108 AromaticContact CZ-CE1 3.91Å; V102-F108 HydrophobicContact CB-CZ 3.97Å; V102-F108 HydrophobicContact CG2-CE1 4.38Å; V102-F108 HydrophobicContact CG2-CZ 4.21Å; G105-F108 WeakPolarHBondContact O-CD2 3.33Å; G105-F108 PolarHBondContact O-N 3.35Å; G105-F108 VanDerWaalsContact O-N 3.16Å; R106-F108 VanDerWaalsContact C-N 3.26Å; R106-F108 PolarHBondContact O-N 2.86Å; F108-V113 HydrophobicContact CB-CG1 4.4Å; F108-V113 HydrophobicContact CD1-CG1 3.67Å; F108-V113 HydrophobicContact CE1-CG1 4.31Å; F108-V113 HydrophobicContact CG-CG1 4.25Å; F108-R114 HydrophobicContact CB-CB 4.08Å; F108-R114 HydrophobicContact CB-CG 4.49Å; F108-R114 HydrophobicContact CD2-CG 4.44Å; F108-R114 PolarHBondContact O-NH2 3.19Å; F108-Y117 HydrophobicContact CE1-CD2 4.04Å; F108-Y117 HydrophobicContact CE1-CE2 4.44Å; F108-Y117 HydrophobicContact CE1-CG 4.29Å; F108-Y117 AromaticContact CE2-CD1 3.74Å; F108-Y117 HydrophobicContact CE2-CD1 3.74Å; F108-Y117 HydrophobicContact CE2-CD2 4.26Å; F108-Y117 HydrophobicContact CE2-CE1 4.04Å; F108-Y117 AromaticContact CE2-CG 3.87Å; F108-Y117 HydrophobicContact CE2-CG 3.87Å; F108-Y117 AromaticContact CZ-CD1 3.81Å; F108-Y117 HydrophobicContact CZ-CD1 3.81Å; F108-Y117 AromaticContact CZ-CD2 3.5Å; F108-Y117 HydrophobicContact CZ-CD2 3.5Å; F108-Y117 VanDerWaalsContact CZ-CD2 3.5Å; F108-Y117 AromaticContact CZ-CE1 3.99Å; F108-Y117 HydrophobicContact CZ-CE1 3.99Å; F108-Y117 AromaticContact CZ-CE2 3.7Å; F108-Y117 HydrophobicContact CZ-CE2 3.7Å; F108-Y117 AromaticContact CZ-CG 3.57Å; F108-Y117 HydrophobicContact CZ-CG 3.57Å; F108-Y117 AromaticContact CZ-CZ 3.95Å; F108-I208 HydrophobicContact CD2-CD1 4.31Å; F108-I208 HydrophobicContact CE2-CD1 3.99Å
109C88.7Confident93.1Very high39 Ų3932.4 Ų32.426%0.26415%0.145SC..  trans-75.4-45.6178.5-64.90000110.4E46 L107 M442 V446E46-C109 PolarHBondContact OE2-N 3.28Å; E46-C109 VanDerWaalsContact OE2-N 3.09Å; L107-C109 PolarHBondContact O-N 2.93Å; C109-M442 HydrophobicContact CB-SD 4.41Å; C109-V446 WeakPolarHBondContact SG-CG2 3.32Å
110E91.6Very high93.2Very high47 Ų4731.9 Ų31.922%0.2214%0.143CC..SBendtrans-82.2131.6-174.4-67.2-172.9-123.400112.7I44 K45 E46 K112 V113 R114I44-E110 WeakPolarHBondContact CA-OE2 3.4Å; K45-E110 WeakPolarHBondContact CA-OE1 3.14Å; K45-E110 WeakPolarHBondContact CB-OE1 3.37Å; K45-E110 PolarHBondContact N-OE1 3.28Å; E46-E110 HydrophobicContact CB-CG 4.48Å; E46-E110 WeakPolarHBondContact CB-OE1 3.37Å; E46-E110 PolarHBondContact N-OE1 3.45Å; E46-E110 PolarHBondContact OE2-N 2.89Å; E110-K112 VanDerWaalsContact C-N 3.28Å; E110-K112 PolarHBondContact O-N 3.4Å; E110-V113 HydrophobicContact CB-CB 4.16Å; E110-V113 HydrophobicContact CB-CG2 3.96Å; E110-V113 PolarHBondContact O-N 2.8Å; E110-R114 PolarHBondContact O-N 2.85Å; E110-R114 VanDerWaalsContact O-N 3.11Å
111R93.2Very high93.4Very high177 Ų17731.1 Ų31.167%0.66814%0.139SC*.Hα-helixtrans-56.9-42175.8177.4173.3177.9162.13.1111.6R114 H115R111-R114 PolarHBondContact O-N 2.96Å; R111-H115 PolarHBondContact O-CD2 2.83Å; R111-H115 PolarHBondContact O-N 3.27Å; R111-H115 VanDerWaalsContact O-N 3.12Å
112K93.7Very high93.5Very high112 Ų11232.3 Ų32.349%0.48714%0.144SC..Hα-helixtrans-63.6-45.1-178.5-69.5179.3179.4171.60112L42 I44 E110 H115 L116L42-K112 WeakPolarHBondContact O-CD 3.47Å; L42-K112 PolarHBondContact O-NZ 3.33Å; I44-K112 HydrophobicContact CD1-CB 3.8Å; I44-K112 HydrophobicContact CD1-CD 4.43Å; I44-K112 HydrophobicContact CG1-CB 3.87Å; I44-K112 HydrophobicContact CG1-CD 3.95Å; E110-K112 VanDerWaalsContact C-N 3.28Å; E110-K112 PolarHBondContact O-N 3.4Å; K112-H115 PolarHBondContact O-N 2.85Å; K112-L116 WeakPolarHBondContact O-CG 3.46Å; K112-L116 PolarHBondContact O-N 3.11Å
113V94.8Very high93.6Very high0 Ų034 Ų340%015%0.151CC..Hα-helixtrans-59.9-48.4176.91700000111.1I44 E46 Y49 F50 F108 E110 H115 L116 Y117I44-V113 HydrophobicContact CG2-CG2 3.23Å; E46-V113 HydrophobicContact CB-CG2 4.06Å; E46-V113 WeakPolarHBondContact O-CG2 3.41Å; Y49-V113 HydrophobicContact CD2-CG1 4.18Å; F50-V113 HydrophobicContact CE2-CB 4.47Å; F50-V113 HydrophobicContact CE2-CG1 3.91Å; F50-V113 HydrophobicContact CE2-CG2 4.36Å; F50-V113 HydrophobicContact CZ-CG1 4.22Å; F108-V113 HydrophobicContact CB-CG1 4.4Å; F108-V113 HydrophobicContact CD1-CG1 3.67Å; F108-V113 HydrophobicContact CE1-CG1 4.31Å; F108-V113 HydrophobicContact CG-CG1 4.25Å; E110-V113 HydrophobicContact CB-CB 4.16Å; E110-V113 HydrophobicContact CB-CG2 3.96Å; E110-V113 PolarHBondContact O-N 2.8Å; V113-H115 VanDerWaalsContact C-N 3.28Å; V113-H115 PolarHBondContact O-N 3.09Å; V113-L116 PolarHBondContact O-N 3.36Å; V113-Y117 WeakPolarHBondContact O-CB 3.44Å; V113-Y117 PolarHBondContact O-N 2.82Å
114R95.3Very high93.8Very high18 Ų1834.2 Ų34.27%0.06815%0.151CC..Hα-helixtrans-54.9-44.4177.3-169.5-174.3-56.3136.61.6112.2F108 E110 R111 Y118 I204 F205F108-R114 HydrophobicContact CB-CB 4.08Å; F108-R114 HydrophobicContact CB-CG 4.49Å; F108-R114 HydrophobicContact CD2-CG 4.44Å; F108-R114 PolarHBondContact O-NH2 3.19Å; E110-R114 PolarHBondContact O-N 2.85Å; E110-R114 VanDerWaalsContact O-N 3.11Å; R111-R114 PolarHBondContact O-N 2.96Å; R114-Y118 VanDerWaalsContact O-CB 3.28Å; R114-Y118 WeakPolarHBondContact O-CB 3.38Å; R114-Y118 PolarHBondContact O-N 3.35Å; R114-I204 HydrophobicContact CG-CG2 3.66Å; R114-F205 VanDerWaalsContact CD-CE1 3.43Å; R114-F205 HydrophobicContact CG-CE1 4.26Å
115H95.3Very high94Very high58 Ų5833.9 Ų33.927%0.26915%0.149SC..Hα-helixtrans-68.4-41.4177.7-83.4-69000113.2R111 K112 V113 S119 I204R111-H115 PolarHBondContact O-CD2 2.83Å; R111-H115 PolarHBondContact O-N 3.27Å; R111-H115 VanDerWaalsContact O-N 3.12Å; K112-H115 PolarHBondContact O-N 2.85Å; V113-H115 VanDerWaalsContact C-N 3.28Å; V113-H115 PolarHBondContact O-N 3.09Å; H115-S119 WeakPolarHBondContact O-CB 3.19Å; H115-S119 PolarHBondContact O-N 3.04Å; H115-S119 PolarHBondContact O-OG 2.96Å; H115-I204 WeakPolarHBondContact CE1-CD1 3.5Å
116L95.8Very high94.2Very high12 Ų1235.8 Ų35.86%0.06316%0.156CC..Hα-helixtrans-65.9-42.3176.6-71.2177.9000111.7P16 N17 L42 I44 F50 K112 V113 S119 D120P16-L116 VanDerWaalsContact CB-O 3.29Å; P16-L116 WeakPolarHBondContact CB-O 3.44Å; N17-L116 HydrophobicContact CB-CD2 4.49Å; L42-L116 HydrophobicContact CD1-CD1 4.27Å; I44-L116 HydrophobicContact CD1-CD1 3.6Å; F50-L116 HydrophobicContact CE1-CB 3.94Å; F50-L116 HydrophobicContact CZ-CB 3.68Å; K112-L116 WeakPolarHBondContact O-CG 3.46Å; K112-L116 PolarHBondContact O-N 3.11Å; V113-L116 PolarHBondContact O-N 3.36Å; L116-S119 PolarHBondContact O-N 2.94Å; L116-D120 PolarHBondContact O-N 2.63Å; L116-D120 VanDerWaalsContact O-N 3.09Å
117Y96.8Very high94.3Very high0 Ų039.9 Ų39.90%017%0.171CC..Hα-helixtrans-63-47.9176.5-174.4-83.4000111.2V98 Y101 V102 F108 V113 S119 D120 L121 I208V98-Y117 HydrophobicContact CB-CD2 4.4Å; V98-Y117 HydrophobicContact CB-CE2 4.36Å; V98-Y117 HydrophobicContact CG1-CD2 3.9Å; V98-Y117 HydrophobicContact CG1-CE2 3.46Å; V98-Y117 VanDerWaalsContact CG1-CE2 3.46Å; V98-Y117 HydrophobicContact CG2-CD2 3.53Å; V98-Y117 HydrophobicContact CG2-CE2 3.93Å; V98-Y117 HydrophobicContact CG2-CG 4.16Å; Y101-Y117 WeakPolarHBondContact CA-OH 3.23Å; Y101-Y117 WeakPolarHBondContact CD1-OH 3.46Å; V102-Y117 PolarHBondContact N-OH 3.29Å; V102-Y117 PolarHBondContact O-OH 3.29Å; V102-Y117 VanDerWaalsContact O-OH 3.05Å; F108-Y117 HydrophobicContact CE1-CD2 4.04Å; F108-Y117 HydrophobicContact CE1-CE2 4.44Å; F108-Y117 HydrophobicContact CE1-CG 4.29Å; F108-Y117 AromaticContact CE2-CD1 3.74Å; F108-Y117 HydrophobicContact CE2-CD1 3.74Å; F108-Y117 HydrophobicContact CE2-CD2 4.26Å; F108-Y117 HydrophobicContact CE2-CE1 4.04Å; F108-Y117 AromaticContact CE2-CG 3.87Å; F108-Y117 HydrophobicContact CE2-CG 3.87Å; F108-Y117 AromaticContact CZ-CD1 3.81Å; F108-Y117 HydrophobicContact CZ-CD1 3.81Å; F108-Y117 AromaticContact CZ-CD2 3.5Å; F108-Y117 HydrophobicContact CZ-CD2 3.5Å; F108-Y117 VanDerWaalsContact CZ-CD2 3.5Å; F108-Y117 AromaticContact CZ-CE1 3.99Å; F108-Y117 HydrophobicContact CZ-CE1 3.99Å; F108-Y117 AromaticContact CZ-CE2 3.7Å; F108-Y117 HydrophobicContact CZ-CE2 3.7Å; F108-Y117 AromaticContact CZ-CG 3.57Å; F108-Y117 HydrophobicContact CZ-CG 3.57Å; F108-Y117 AromaticContact CZ-CZ 3.95Å; V113-Y117 WeakPolarHBondContact O-CB 3.44Å; V113-Y117 PolarHBondContact O-N 2.82Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.32Å; Y117-D120 PolarHBondContact O-N 3.14Å; Y117-L121 HydrophobicContact CE1-CD2 4.08Å; Y117-L121 WeakPolarHBondContact O-CB 3.5Å; Y117-L121 PolarHBondContact O-N 3.06Å; Y117-I208 HydrophobicContact CD1-CD1 3.76Å; Y117-I208 HydrophobicContact CD1-CG1 3.97Å; Y117-I208 HydrophobicContact CE1-CD1 4.17Å; Y117-I208 HydrophobicContact CE1-CG1 4.03Å; Y117-I208 HydrophobicContact CE1-CG2 3.82Å
118Y97.1Very high94.5Very high5 Ų540 Ų402%0.0217%0.172CC..Hα-helixtrans-55.4-43.1173.1163.1-109.3000112.1R114 L121 R122 A144 A147 D148 I204 F207R114-Y118 VanDerWaalsContact O-CB 3.28Å; R114-Y118 WeakPolarHBondContact O-CB 3.38Å; R114-Y118 PolarHBondContact O-N 3.35Å; Y118-L121 PolarHBondContact O-N 3.17Å; Y118-R122 HydrophobicContact CE2-CB 4.41Å; Y118-R122 VanDerWaalsContact O-CB 3.28Å; Y118-R122 WeakPolarHBondContact O-CB 3.48Å; Y118-R122 PolarHBondContact O-N 3.1Å; Y118-A144 HydrophobicContact CE2-CB 4.45Å; Y118-A144 WeakPolarHBondContact OH-CA 3.31Å; Y118-A144 VanDerWaalsContact OH-CB 3.27Å; Y118-A144 WeakPolarHBondContact OH-CB 3.47Å; Y118-A144 PolarHBondContact OH-O 3.22Å; Y118-A147 HydrophobicContact CE1-CB 4.26Å; Y118-A147 HydrophobicContact CE2-CB 4.36Å; Y118-D148 WeakPolarHBondContact CE1-OD1 3.49Å; Y118-D148 PolarHBondContact OH-OD1 2.7Å; Y118-I204 HydrophobicContact CD1-CG1 4.37Å; Y118-I204 HydrophobicContact CD2-CG1 4.39Å; Y118-I204 HydrophobicContact CD2-CG2 4.41Å; Y118-I204 HydrophobicContact CG-CG1 4.18Å; Y118-I204 HydrophobicContact CG-CG2 4.19Å; Y118-F207 HydrophobicContact CD2-CB 4.25Å; Y118-F207 AromaticContact CD2-CD1 3.5Å; Y118-F207 HydrophobicContact CD2-CD1 3.5Å; Y118-F207 AromaticContact CD2-CE1 3.98Å; Y118-F207 HydrophobicContact CD2-CE1 3.98Å; Y118-F207 AromaticContact CD2-CG 3.83Å; Y118-F207 HydrophobicContact CD2-CG 3.83Å; Y118-F207 HydrophobicContact CE2-CB 4.18Å; Y118-F207 AromaticContact CE2-CD1 3.66Å; Y118-F207 HydrophobicContact CE2-CD1 3.66Å; Y118-F207 AromaticContact CE2-CD2 3.88Å; Y118-F207 HydrophobicContact CE2-CD2 3.88Å; Y118-F207 AromaticContact CE2-CE1 3.98Å; Y118-F207 HydrophobicContact CE2-CE1 3.98Å; Y118-F207 HydrophobicContact CE2-CE2 4.18Å; Y118-F207 AromaticContact CE2-CG 3.61Å; Y118-F207 HydrophobicContact CE2-CG 3.61Å; Y118-F207 HydrophobicContact CE2-CZ 4.24Å
119S96Very high94.4Very high27 Ų2745.8 Ų45.819%0.18920%0.199CC..Hα-helixtrans-63.2-43.5179.7-60.10000112.6H115 L116 Y117 E123H115-S119 WeakPolarHBondContact O-CB 3.19Å; H115-S119 PolarHBondContact O-N 3.04Å; H115-S119 PolarHBondContact O-OG 2.96Å; L116-S119 PolarHBondContact O-N 2.94Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.32Å; S119-E123 PolarHBondContact O-N 3.34Å
120D95.6Very high94.4Very high12 Ų1244.7 Ų44.76%0.06419%0.192CC..Hα-helixtrans-63.2-46.4176-16884.8000110.9P16 V98 Y101 L116 Y117 R122 E123 R124P16-D120 HydrophobicContact CB-CB 3.99Å; P16-D120 HydrophobicContact CG-CB 4.36Å; V98-D120 HydrophobicContact CB-CB 4.34Å; V98-D120 HydrophobicContact CG2-CB 3.6Å; Y101-D120 PolarHBondContact OH-OD2 2.73Å; L116-D120 PolarHBondContact O-N 2.63Å; L116-D120 VanDerWaalsContact O-N 3.09Å; Y117-D120 PolarHBondContact O-N 3.14Å; D120-R122 PolarHBondContact O-N 2.88Å; D120-E123 PolarHBondContact O-N 2.99Å; D120-R124 WeakPolarHBondContact O-CG 3.42Å; D120-R124 PolarHBondContact O-N 2.65Å; D120-R124 VanDerWaalsContact O-N 3.1Å; D120-R124 IonicContact OD2-NE 3.05Å; D120-R124 PolarHBondContact OD2-NE 2.93Å
121L95.8Very high94.2Very high0 Ų049.7 Ų49.70%021%0.209CC..Hα-helixtrans-66-40.8-177.2-161.567.3000111.7Y101 Y117 Y118 E123 R124 V125 F207 I208 A211 V217Y101-L121 HydrophobicContact CD1-CD1 4.15Å; Y101-L121 HydrophobicContact CE1-CD1 4.05Å; Y117-L121 HydrophobicContact CE1-CD2 4.08Å; Y117-L121 WeakPolarHBondContact O-CB 3.5Å; Y117-L121 PolarHBondContact O-N 3.06Å; Y118-L121 PolarHBondContact O-N 3.17Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-E123 PolarHBondContact O-N 3.22Å; L121-R124 CarbonylContact O-C 3.55Å; L121-R124 WeakPolarHBondContact O-CA 3.47Å; L121-R124 WeakPolarHBondContact O-CB 3.38Å; L121-R124 PolarHBondContact O-N 3.21Å; L121-R124 VanDerWaalsContact O-N 3.1Å; L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.07Å; L121-F207 HydrophobicContact CB-CE1 4.42Å; L121-F207 HydrophobicContact CD2-CD1 4.46Å; L121-F207 HydrophobicContact CD2-CE1 4.38Å; L121-F207 HydrophobicContact CG-CE1 4.4Å; L121-I208 HydrophobicContact CD2-CB 4.34Å; L121-I208 HydrophobicContact CD2-CG1 4.15Å; L121-I208 HydrophobicContact CD2-CG2 4.4Å; L121-A211 HydrophobicContact CD2-CB 3.53Å; L121-A211 HydrophobicContact CG-CB 3.84Å; L121-V217 HydrophobicContact CD1-CG1 3.48Å; L121-V217 VanDerWaalsContact CD1-CG1 3.48Å; L121-V217 HydrophobicContact CG-CG1 4.09Å
122R95.9Very high93.7Very high45 Ų4549.9 Ų49.917%0.1722%0.217CC..Hα-helixtrans-61-42.8175.6177.1-178.8160.9-166.56.3112Y118 D120 R124 V125 R126 D148 D169 F207Y118-R122 HydrophobicContact CE2-CB 4.41Å; Y118-R122 VanDerWaalsContact O-CB 3.28Å; Y118-R122 WeakPolarHBondContact O-CB 3.48Å; Y118-R122 PolarHBondContact O-N 3.1Å; D120-R122 PolarHBondContact O-N 2.88Å; R122-R124 PolarHBondContact O-N 2.63Å; R122-V125 PolarHBondContact O-N 3.38Å; R122-R126 WeakPolarHBondContact O-CG 3.34Å; R122-R126 PolarHBondContact O-N 2.99Å; R122-D148 IonicContact CZ-OD2 3.97Å; R122-D148 IonicContact NH1-OD1 3.41Å; R122-D148 PolarHBondContact NH1-OD1 3.26Å; R122-D148 IonicContact NH1-OD2 3.14Å; R122-D148 PolarHBondContact NH1-OD2 3.41Å; R122-D148 IonicContact NH2-OD2 3.49Å; R122-D148 PolarHBondContact NH2-OD2 2.95Å; R122-D169 PolarHBondContact NE-O 3.21Å; R122-D169 PolarHBondContact NH2-O 3.07Å; R122-F207 HydrophobicContact CB-CE1 4.11Å; R122-F207 HydrophobicContact CB-CZ 3.88Å; R122-F207 HydrophobicContact CG-CZ 4.24Å
123E94.6Very high93.5Very high35 Ų3547.5 Ų47.516%0.16421%0.208CC..Hα-helixtrans-65.9-30.1176.7-173.765.3-146.300111.5K18 S119 D120 L121 R127K18-E123 WeakPolarHBondContact CE-OE2 3.43Å; K18-E123 IonicContact NZ-OE2 3.27Å; K18-E123 PolarHBondContact NZ-OE2 3.32Å; S119-E123 PolarHBondContact O-N 3.34Å; D120-E123 PolarHBondContact O-N 2.99Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-E123 PolarHBondContact O-N 3.22Å; E123-R127 VanDerWaalsContact CG-CZ 3.48Å; E123-R127 VanDerWaalsContact CG-NH1 3.27Å; E123-R127 WeakPolarHBondContact O-CG 3.37Å; E123-R127 PolarHBondContact O-N 3.26Å; E123-R127 IonicContact OE1-CZ 3.41Å; E123-R127 IonicContact OE1-NE 2.71Å; E123-R127 PolarHBondContact OE1-NE 2.97Å; E123-R127 IonicContact OE1-NH1 2.66Å; E123-R127 IonicContact OE1-NH2 3.42Å; E123-R127 PolarHBondContact OE1-NH2 3.22Å
124R94.1Very high93.4Very high49 Ų4947.9 Ų47.919%0.18521%0.21CC..Hα-helixtrans-70.7-44.5171.2-71.2172173.3-99.36.8112.6Y101 D120 L121 R122 R126 R127 S128 V217 V219Y101-R124 PolarHBondContact OH-NE 3.41Å; Y101-R124 PolarHBondContact OH-NH2 2.87Å; D120-R124 WeakPolarHBondContact O-CG 3.42Å; D120-R124 PolarHBondContact O-N 2.65Å; D120-R124 VanDerWaalsContact O-N 3.1Å; D120-R124 IonicContact OD2-NE 3.05Å; D120-R124 PolarHBondContact OD2-NE 2.93Å; L121-R124 CarbonylContact O-C 3.55Å; L121-R124 WeakPolarHBondContact O-CA 3.47Å; L121-R124 WeakPolarHBondContact O-CB 3.38Å; L121-R124 PolarHBondContact O-N 3.21Å; L121-R124 VanDerWaalsContact O-N 3.1Å; R122-R124 PolarHBondContact O-N 2.63Å; R124-R126 VanDerWaalsContact C-N 3.26Å; R124-R126 PolarHBondContact O-N 3.42Å; R124-R127 CarbonylContact O-C 3.58Å; R124-R127 WeakPolarHBondContact O-CA 3.08Å; R124-R127 PolarHBondContact O-N 2.95Å; R124-S128 PolarHBondContact O-N 3.15Å; R124-V217 HydrophobicContact CB-CG1 4.06Å; R124-V219 PolarHBondContact NH1-O 3.03Å; R124-V219 VanDerWaalsContact NH1-O 3.1Å
125V96.5Very high93.3Very high4 Ų453.2 Ų53.22%0.02424%0.235CC..Hα-helixtrans-55.1-43.6173.5170.80000110.3L121 R122 R127 S128 Y137 L140 P172 F207 A211 L214 V217L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.07Å; R122-V125 PolarHBondContact O-N 3.38Å; V125-R127 PolarHBondContact O-N 2.92Å; V125-R127 VanDerWaalsContact O-N 3.15Å; V125-S128 WeakPolarHBondContact O-CB 3.27Å; V125-S128 PolarHBondContact O-N 2.94Å; V125-Y137 HydrophobicContact CG1-CD1 4Å; V125-Y137 HydrophobicContact CG1-CE1 4.16Å; V125-L140 HydrophobicContact CG1-CD1 3.84Å; V125-L140 HydrophobicContact CG2-CD1 4.19Å; V125-P172 WeakPolarHBondContact O-CG 3.49Å; V125-F207 HydrophobicContact CB-CZ 4.32Å; V125-F207 HydrophobicContact CG2-CE1 4.29Å; V125-F207 HydrophobicContact CG2-CZ 3.94Å; V125-A211 HydrophobicContact CG2-CB 3.74Å; V125-L214 HydrophobicContact CG2-CD1 4.34Å; V125-V217 HydrophobicContact CG2-CG1 3.99Å; V125-V217 HydrophobicContact CG2-CG2 4.1Å
126R94.6Very high93.3Very high40 Ų4051.5 Ų51.515%0.15123%0.229CC..Hα-helixtrans-60.9-23.6176.3-73.817768.6161-0.6114.2R122 R124 K168 D169 P172 P173R122-R126 WeakPolarHBondContact O-CG 3.34Å; R122-R126 PolarHBondContact O-N 2.99Å; R124-R126 VanDerWaalsContact C-N 3.26Å; R124-R126 PolarHBondContact O-N 3.42Å; R126-K168 PolarHBondContact NE-O 3.39Å; R126-K168 PolarHBondContact NH2-O 3.1Å; R126-D169 WeakPolarHBondContact CD-O 3.36Å; R126-D169 VanDerWaalsContact CZ-CA 3.45Å; R126-D169 IonicContact CZ-OD1 2.81Å; R126-D169 VanDerWaalsContact CZ-OD1 3.3Å; R126-D169 VanDerWaalsContact NH1-CA 3.28Å; R126-D169 PolarHBondContact NH1-O 2.88Å; R126-D169 IonicContact NH1-OD1 2.81Å; R126-D169 PolarHBondContact NH1-OD1 2.92Å; R126-D169 IonicContact NH2-OD1 3.83Å; R126-D169 PolarHBondContact NH2-OD1 3.28Å; R126-P172 WeakPolarHBondContact O-CA 3.37Å; R126-P173 WeakPolarHBondContact O-CD 3.27Å
127R93.1Very high93.3Very high156 Ų15651 Ų5159%0.58923%0.226SC*.Hα-helixtrans-101.2-0.8177.6-63.5-177.7-171.71231.7113.2E123 R124 V125E123-R127 VanDerWaalsContact CG-CZ 3.48Å; E123-R127 VanDerWaalsContact CG-NH1 3.27Å; E123-R127 WeakPolarHBondContact O-CG 3.37Å; E123-R127 PolarHBondContact O-N 3.26Å; E123-R127 IonicContact OE1-CZ 3.41Å; E123-R127 IonicContact OE1-NE 2.71Å; E123-R127 PolarHBondContact OE1-NE 2.97Å; E123-R127 IonicContact OE1-NH1 2.66Å; E123-R127 IonicContact OE1-NH2 3.42Å; E123-R127 PolarHBondContact OE1-NH2 3.22Å; R124-R127 CarbonylContact O-C 3.58Å; R124-R127 WeakPolarHBondContact O-CA 3.08Å; R124-R127 PolarHBondContact O-N 2.95Å; V125-R127 PolarHBondContact O-N 2.92Å; V125-R127 VanDerWaalsContact O-N 3.15Å
128S93.4Very high93.3Very high3 Ų352.2 Ų52.22%0.02123%0.232CC..  trans-68.3144.2-178.7173.80000111.4R124 V125 Y137 W174 D216R124-S128 PolarHBondContact O-N 3.15Å; V125-S128 WeakPolarHBondContact O-CB 3.27Å; V125-S128 PolarHBondContact O-N 2.94Å; S128-Y137 WeakPolarHBondContact CB-OH 3.25Å; S128-Y137 PolarHBondContact OG-OH 2.93Å; S128-W174 VanDerWaalsContact O-CD1 3.26Å; S128-W174 PolarHBondContact O-NE1 2.8Å; S128-D216 VanDerWaalsContact CA-OD2 3.29Å; S128-D216 WeakPolarHBondContact CA-OD2 3.27Å; S128-D216 WeakPolarHBondContact CB-OD1 3.24Å; S128-D216 VanDerWaalsContact OG-CG 3.23Å; S128-D216 PolarHBondContact OG-OD1 3.47Å; S128-D216 PolarHBondContact OG-OD2 3.46Å; S128-D216 VanDerWaalsContact OG-OD2 3.1Å
129E90.1Very high93.2Very high122 Ų12256.2 Ų56.257%0.5725%0.25SS*.  trans-119.418.2-178.9-59.5-168.7159.700112.6R131 D216E129-R131 PolarHBondContact O-N 3.46Å; E129-D216 PolarHBondContact N-OD2 3.36Å
130C88.8Confident93.3Very high17 Ų1755 Ų5512%0.11524%0.242CC..  trans-69.772.9174-71.70000112.4Q132 Q133 Y137 L214 D216C130-Q132 PolarHBondContact O-N 3.32Å; C130-Q133 PolarHBondContact O-N 2.98Å; C130-Y137 WeakPolarHBondContact CB-OH 3.34Å; C130-Y137 PolarHBondContact N-OH 3.31Å; C130-Y137 WeakPolarHBondContact O-CE2 3.42Å; C130-Y137 PolarHBondContact O-OH 3.19Å; C130-L214 HydrophobicContact CB-CD2 4.36Å; C130-D216 PolarHBondContact SG-OD1 2.94Å
131R86.9Confident93.4Very high151 Ų15154.5 Ų54.557%0.5724%0.239SC*.THydrogen-bonded Turntrans-63.5-11.5-175.6-64.7-172.7179.7105.64.5115.5E129 W174E129-R131 PolarHBondContact O-N 3.46Å; R131-W174 HydrophobicContact CB-CZ3 4.48Å; R131-W174 HydrophobicContact CG-CD2 4.09Å; R131-W174 HydrophobicContact CG-CE3 4.14Å; R131-W174 HydrophobicContact CG-CZ2 4.49Å; R131-W174 HydrophobicContact CG-CZ3 4.37Å
132Q84.6Confident93.5Very high181 Ų18154.6 Ų54.685%0.84624%0.24SC*.THydrogen-bonded Turntrans-82.7-15.2-176.8-63.4-179.40.300113.6C130C130-Q132 PolarHBondContact O-N 3.32Å
133Q88.4Confident93.6Very high63 Ų6354.3 Ų54.329%0.29424%0.239SC..  trans-122.157.3-172.5-66.8176.5-55.600111C130 E135 V136 Y137 L214C130-Q133 PolarHBondContact O-N 2.98Å; Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 3.38Å; Q133-V136 HydrophobicContact CB-CB 4.28Å; Q133-V136 HydrophobicContact CB-CG2 3.95Å; Q133-V136 PolarHBondContact O-N 3.1Å; Q133-Y137 WeakPolarHBondContact O-CD2 3.06Å; Q133-Y137 WeakPolarHBondContact O-CE2 3.46Å; Q133-L214 HydrophobicContact CB-CD2 4.42Å; Q133-L214 VanDerWaalsContact OE1-CD2 3.31Å
134E92.7Very high93.7Very high8 Ų852.7 Ų52.74%0.03723%0.232CC..Hα-helixtrans-62.6-39-173.9-178.6169.4-168.500112.9V136 Y137 F138 W174 K178 R179E134-V136 VanDerWaalsContact C-N 3.26Å; E134-V136 PolarHBondContact O-N 3.1Å; E134-Y137 PolarHBondContact O-N 2.82Å; E134-Y137 VanDerWaalsContact O-N 3.11Å; E134-F138 HydrophobicContact CG-CD2 4.41Å; E134-F138 HydrophobicContact CG-CE2 4.06Å; E134-W174 HydrophobicContact CB-CH2 4.39Å; E134-K178 WeakPolarHBondContact OE2-CE 3.47Å; E134-K178 IonicContact OE2-NZ 2.75Å; E134-K178 PolarHBondContact OE2-NZ 2.96Å; E134-R179 VanDerWaalsContact CD-NH2 3.3Å; E134-R179 WeakPolarHBondContact OE1-CD 3.15Å; E134-R179 WeakPolarHBondContact OE1-CG 3.27Å; E134-R179 IonicContact OE1-CZ 2.71Å; E134-R179 IonicContact OE1-NE 3.45Å; E134-R179 PolarHBondContact OE1-NE 2.81Å; E134-R179 IonicContact OE1-NH2 2.86Å; E134-R179 PolarHBondContact OE1-NH2 3.31Å; E134-R179 IonicContact OE2-CZ 3.46Å; E134-R179 IonicContact OE2-NE 3.5Å; E134-R179 PolarHBondContact OE2-NE 3.45Å; E134-R179 IonicContact OE2-NH2 2.61Å; E134-R179 PolarHBondContact OE2-NH2 3.2Å
135E92.9Very high93.9Very high129 Ų12950.4 Ų50.460%0.60322%0.223SC*.Hα-helixtrans-61-36.9-177.5-58.574.7-161.800111.5Q133 Y137 F138 Q139Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 3.38Å; E135-Y137 VanDerWaalsContact C-N 3.25Å; E135-Y137 PolarHBondContact O-N 2.89Å; E135-F138 WeakPolarHBondContact O-CB 3.49Å; E135-F138 PolarHBondContact O-N 3.17Å; E135-F138 VanDerWaalsContact O-N 3.1Å; E135-Q139 PolarHBondContact O-N 2.85Å
136V94.9Very high93.9Very high22 Ų2250.3 Ų50.313%0.13322%0.222CC..Hα-helixtrans-60.8-35.9178.3179.60000110.8Q133 E134 F138 Q139 L140 L214Q133-V136 HydrophobicContact CB-CB 4.28Å; Q133-V136 HydrophobicContact CB-CG2 3.95Å; Q133-V136 PolarHBondContact O-N 3.1Å; E134-V136 VanDerWaalsContact C-N 3.26Å; E134-V136 PolarHBondContact O-N 3.1Å; V136-F138 VanDerWaalsContact C-N 3.35Å; V136-F138 PolarHBondContact O-N 3.11Å; V136-Q139 PolarHBondContact O-N 2.97Å; V136-L140 HydrophobicContact CG1-CD1 3.93Å; V136-L140 HydrophobicContact CG1-CG 4.23Å; V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 VanDerWaalsContact O-CG 3.27Å; V136-L140 WeakPolarHBondContact O-CG 2.9Å; V136-L140 PolarHBondContact O-N 2.81Å; V136-L214 HydrophobicContact CG1-CD2 4.07Å
137Y96.3Very high94Very high1 Ų148.8 Ų48.80%0.00422%0.218CC..Hα-helixtrans-71.5-28.5178.1-64.6-87.7000113.4V125 S128 C130 Q133 E134 E135 A141 P172 W174 I175 L214V125-Y137 HydrophobicContact CG1-CD1 4Å; V125-Y137 HydrophobicContact CG1-CE1 4.16Å; S128-Y137 WeakPolarHBondContact CB-OH 3.25Å; S128-Y137 PolarHBondContact OG-OH 2.93Å; C130-Y137 WeakPolarHBondContact CB-OH 3.34Å; C130-Y137 PolarHBondContact N-OH 3.31Å; C130-Y137 WeakPolarHBondContact O-CE2 3.42Å; C130-Y137 PolarHBondContact O-OH 3.19Å; Q133-Y137 WeakPolarHBondContact O-CD2 3.06Å; Q133-Y137 WeakPolarHBondContact O-CE2 3.46Å; E134-Y137 PolarHBondContact O-N 2.82Å; E134-Y137 VanDerWaalsContact O-N 3.11Å; E135-Y137 VanDerWaalsContact C-N 3.25Å; E135-Y137 PolarHBondContact O-N 2.89Å; Y137-A141 VanDerWaalsContact O-CB 3.26Å; Y137-A141 WeakPolarHBondContact O-CB 3.35Å; Y137-A141 PolarHBondContact O-N 3.07Å; Y137-P172 HydrophobicContact CD1-CG 3.53Å; Y137-P172 HydrophobicContact CE1-CG 3.51Å; Y137-P172 HydrophobicContact CG-CG 4.38Å; Y137-W174 HydrophobicContact CD2-CH2 4.23Å; Y137-W174 AromaticContact CD2-CZ2 3.89Å; Y137-W174 HydrophobicContact CD2-CZ2 3.89Å; Y137-W174 HydrophobicContact CE2-CH2 4.06Å; Y137-W174 AromaticContact CE2-CZ2 3.43Å; Y137-W174 HydrophobicContact CE2-CZ2 3.43Å; Y137-W174 VanDerWaalsContact CE2-CZ2 3.43Å; Y137-W174 AromaticContact CZ-CZ2 3.78Å; Y137-I175 HydrophobicContact CD1-CD1 4Å; Y137-I175 HydrophobicContact CD2-CD1 3.58Å; Y137-I175 HydrophobicContact CE2-CD1 4.4Å; Y137-I175 HydrophobicContact CG-CD1 3.33Å; Y137-L214 HydrophobicContact CE1-CD1 4.06Å; Y137-L214 HydrophobicContact CE2-CD2 4.48Å
138F96.3Very high94.1Very high27 Ų2744.2 Ų44.212%0.11821%0.206CC..Hα-helixtrans-68.1-42.4171.3-79.4-91.8000110.8E134 E135 V136 A141 G142 F171 I175 Y183 L184 H187E134-F138 HydrophobicContact CG-CD2 4.41Å; E134-F138 HydrophobicContact CG-CE2 4.06Å; E135-F138 WeakPolarHBondContact O-CB 3.49Å; E135-F138 PolarHBondContact O-N 3.17Å; E135-F138 VanDerWaalsContact O-N 3.1Å; V136-F138 VanDerWaalsContact C-N 3.35Å; V136-F138 PolarHBondContact O-N 3.11Å; F138-A141 PolarHBondContact O-N 3.31Å; F138-G142 PolarHBondContact O-N 3.33Å; F138-F171 AromaticContact CD1-CE1 3.99Å; F138-F171 HydrophobicContact CD1-CE1 3.99Å; F138-F171 HydrophobicContact CD1-CZ 4.09Å; F138-F171 HydrophobicContact CD2-CE1 4.44Å; F138-F171 HydrophobicContact CE1-CE1 4.13Å; F138-F171 HydrophobicContact CE1-CZ 4.23Å; F138-F171 HydrophobicContact CG-CE1 4.15Å; F138-F171 HydrophobicContact CZ-CE1 4.41Å; F138-I175 HydrophobicContact CE2-CG2 4.5Å; F138-Y183 HydrophobicContact CE1-CD1 4.45Å; F138-Y183 AromaticContact CE1-CE1 4Å; F138-Y183 HydrophobicContact CE1-CE1 4Å; F138-Y183 HydrophobicContact CZ-CD1 4.14Å; F138-Y183 AromaticContact CZ-CE1 3.65Å; F138-Y183 HydrophobicContact CZ-CE1 3.65Å; F138-L184 HydrophobicContact CE1-CD2 3.66Å; F138-L184 HydrophobicContact CZ-CD2 3.48Å; F138-L184 VanDerWaalsContact CZ-CD2 3.48Å; F138-H187 HydrophobicContact CE1-CB 4.28Å
139Q96.6Very high94.1Very high88 Ų8848.2 Ų48.241%0.41123%0.227SC..Hα-helixtrans-62.4-47174.2-67176.5-40.800111.6E135 V136 A141 G142 Y143E135-Q139 PolarHBondContact O-N 2.85Å; V136-Q139 PolarHBondContact O-N 2.97Å; Q139-A141 VanDerWaalsContact C-N 3.32Å; Q139-A141 PolarHBondContact O-N 3.3Å; Q139-G142 WeakPolarHBondContact O-CA 3.3Å; Q139-G142 PolarHBondContact O-N 3.37Å; Q139-G142 VanDerWaalsContact O-N 3.12Å; Q139-Y143 HydrophobicContact CB-CE2 4.3Å; Q139-Y143 VanDerWaalsContact O-CD2 3.25Å; Q139-Y143 WeakPolarHBondContact O-CD2 3.49Å; Q139-Y143 PolarHBondContact O-N 2.81Å
140L97.8Very high94.3Very high3 Ų343.2 Ų43.22%0.01621%0.207CC..Hα-helixtrans-59.6-41175.5-73.6171.5000112.1V125 V136 Y143 A144 F207 E210 A211 L214V125-L140 HydrophobicContact CG1-CD1 3.84Å; V125-L140 HydrophobicContact CG2-CD1 4.19Å; V136-L140 HydrophobicContact CG1-CD1 3.93Å; V136-L140 HydrophobicContact CG1-CG 4.23Å; V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 VanDerWaalsContact O-CG 3.27Å; V136-L140 WeakPolarHBondContact O-CG 2.9Å; V136-L140 PolarHBondContact O-N 2.81Å; L140-Y143 PolarHBondContact O-N 3.35Å; L140-A144 VanDerWaalsContact O-CB 3.24Å; L140-A144 WeakPolarHBondContact O-CB 3.46Å; L140-A144 PolarHBondContact O-N 3.26Å; L140-F207 HydrophobicContact CB-CD2 4.34Å; L140-F207 HydrophobicContact CB-CE2 3.94Å; L140-F207 HydrophobicContact CD2-CD2 3.77Å; L140-F207 HydrophobicContact CD2-CE2 3.8Å; L140-F207 HydrophobicContact CD2-CG 4.14Å; L140-F207 HydrophobicContact CD2-CZ 4.2Å; L140-F207 HydrophobicContact CG-CE2 4.47Å; L140-F207 WeakPolarHBondContact O-CD2 3.46Å; L140-F207 WeakPolarHBondContact O-CE2 3.45Å; L140-E210 HydrophobicContact CD2-CB 3.71Å; L140-E210 HydrophobicContact CG-CB 4.35Å; L140-A211 HydrophobicContact CD2-CB 3.91Å; L140-L214 HydrophobicContact CD1-CD1 3.73Å
141A97.4Very high94.5Very high1 Ų145.5 Ų45.51%0.00822%0.219CC..Hα-helixtrans-63.8-42.1174.400000111.6Y137 F138 Q139 A144 L145 F171Y137-A141 VanDerWaalsContact O-CB 3.26Å; Y137-A141 WeakPolarHBondContact O-CB 3.35Å; Y137-A141 PolarHBondContact O-N 3.07Å; F138-A141 PolarHBondContact O-N 3.31Å; Q139-A141 VanDerWaalsContact C-N 3.32Å; Q139-A141 PolarHBondContact O-N 3.3Å; A141-A144 PolarHBondContact O-N 2.74Å; A141-L145 WeakPolarHBondContact O-CB 3.49Å; A141-L145 VanDerWaalsContact O-CG 3.24Å; A141-L145 WeakPolarHBondContact O-CG 3.2Å; A141-L145 PolarHBondContact O-N 2.65Å; A141-F171 HydrophobicContact CB-CD1 4.26Å; A141-F171 HydrophobicContact CB-CD2 4.34Å; A141-F171 HydrophobicContact CB-CE1 3.58Å; A141-F171 HydrophobicContact CB-CE2 3.67Å; A141-F171 HydrophobicContact CB-CZ 3.25Å
142G97.2Very high94.6Very high1 Ų139 Ų391%0.0120%0.196CC..Hα-helixtrans-58.1-51.8173.600000112.4F138 Q139 A144 L145 Q146 L195F138-G142 PolarHBondContact O-N 3.33Å; Q139-G142 WeakPolarHBondContact O-CA 3.3Å; Q139-G142 PolarHBondContact O-N 3.37Å; Q139-G142 VanDerWaalsContact O-N 3.12Å; G142-A144 VanDerWaalsContact C-N 3.3Å; G142-A144 PolarHBondContact O-N 3.38Å; G142-L145 PolarHBondContact O-N 2.66Å; G142-Q146 PolarHBondContact O-N 3.27Å; G142-L195 WeakPolarHBondContact O-CD1 3.33Å
143Y98.3Very high94.5Very high40 Ų4033.5 Ų33.516%0.15718%0.176CC..Hα-helixtrans-61.2-38.6177-66-46.6000112.5Q139 L140 Q146 A147 L195 M198 E210Q139-Y143 HydrophobicContact CB-CE2 4.3Å; Q139-Y143 VanDerWaalsContact O-CD2 3.25Å; Q139-Y143 WeakPolarHBondContact O-CD2 3.49Å; Q139-Y143 PolarHBondContact O-N 2.81Å; L140-Y143 PolarHBondContact O-N 3.35Å; Y143-Q146 PolarHBondContact O-N 2.9Å; Y143-A147 WeakPolarHBondContact O-CB 3.39Å; Y143-A147 PolarHBondContact O-N 3.45Å; Y143-L195 HydrophobicContact CD1-CD1 3.72Å; Y143-L195 HydrophobicContact CD1-CD2 4.11Å; Y143-L195 HydrophobicContact CE1-CD1 4.12Å; Y143-L195 HydrophobicContact CE1-CD2 3.66Å; Y143-L195 HydrophobicContact CG-CD1 4.49Å; Y143-M198 HydrophobicContact CD1-SD 4.08Å; Y143-M198 HydrophobicContact CE1-CE 4.16Å; Y143-M198 HydrophobicContact CE1-SD 4.09Å; Y143-E210 HydrophobicContact CD2-CG 4.48Å; Y143-E210 HydrophobicContact CE2-CG 3.86Å
144A97.6Very high93.7Very high1 Ų137.2 Ų37.21%0.00820%0.195CC..Hα-helixtrans-68.7-38.2177.600000112.5Y118 L140 A141 G142 A147 D148 Y170 F207Y118-A144 HydrophobicContact CE2-CB 4.45Å; Y118-A144 WeakPolarHBondContact OH-CA 3.31Å; Y118-A144 VanDerWaalsContact OH-CB 3.27Å; Y118-A144 WeakPolarHBondContact OH-CB 3.47Å; Y118-A144 PolarHBondContact OH-O 3.22Å; L140-A144 VanDerWaalsContact O-CB 3.24Å; L140-A144 WeakPolarHBondContact O-CB 3.46Å; L140-A144 PolarHBondContact O-N 3.26Å; A141-A144 PolarHBondContact O-N 2.74Å; G142-A144 VanDerWaalsContact C-N 3.3Å; G142-A144 PolarHBondContact O-N 3.38Å; A144-A147 PolarHBondContact O-N 3.25Å; A144-D148 VanDerWaalsContact O-CB 3.32Å; A144-D148 WeakPolarHBondContact O-CB 3.4Å; A144-D148 PolarHBondContact O-N 3Å; A144-Y170 HydrophobicContact CB-CD1 3.65Å; A144-Y170 HydrophobicContact CB-CE1 3.95Å; A144-F207 HydrophobicContact CB-CD2 4Å; A144-F207 HydrophobicContact CB-CE2 3.83Å
145L96.7Very high92.3Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-62.6-47.1173-72.1167.6000110.8A141 G142 A147 D148 L149 Y164 F165 Y170 H192A141-L145 WeakPolarHBondContact O-CB 3.49Å; A141-L145 VanDerWaalsContact O-CG 3.24Å; A141-L145 WeakPolarHBondContact O-CG 3.2Å; A141-L145 PolarHBondContact O-N 2.65Å; G142-L145 PolarHBondContact O-N 2.66Å; L145-A147 VanDerWaalsContact C-N 3.3Å; L145-A147 PolarHBondContact O-N 3.18Å; L145-D148 PolarHBondContact O-N 3.34Å; L145-L149 HydrophobicContact CD2-CD1 4.02Å; L145-L149 WeakPolarHBondContact O-CB 3.26Å; L145-L149 PolarHBondContact O-N 2.87Å; L145-Y164 HydrophobicContact CD2-CE2 4.22Å; L145-F165 HydrophobicContact CD1-CD1 4.43Å; L145-F165 HydrophobicContact CD1-CG 4.42Å; L145-F165 HydrophobicContact CD2-CB 3.51Å; L145-F165 HydrophobicContact CD2-CD1 4.24Å; L145-F165 HydrophobicContact CD2-CD2 4.05Å; L145-F165 HydrophobicContact CD2-CG 3.68Å; L145-Y170 HydrophobicContact CD2-CD1 4.06Å; L145-Y170 HydrophobicContact CD2-CD2 4.04Å; L145-Y170 HydrophobicContact CD2-CE1 3.74Å; L145-Y170 HydrophobicContact CD2-CE2 3.72Å; L145-Y170 HydrophobicContact CD2-CG 4.21Å; L145-Y170 HydrophobicContact CG-CD1 4.05Å; L145-Y170 HydrophobicContact CG-CE1 4.05Å; L145-Y170 HydrophobicContact CG-CG 4.4Å; L145-H192 HydrophobicContact CB-CB 4.49Å; L145-H192 HydrophobicContact CD1-CB 4.18Å
146Q97.6Very high90.6Very high2 Ų246.8 Ų46.81%0.00923%0.231CC..Hα-helixtrans-64.2-36.1177.9-170.27020.800111.8G142 Y143 G150 D151 H192 L195 M198 A203G142-Q146 PolarHBondContact O-N 3.27Å; Y143-Q146 PolarHBondContact O-N 2.9Å; Q146-G150 VanDerWaalsContact O-CA 3.28Å; Q146-G150 WeakPolarHBondContact O-CA 3.46Å; Q146-G150 PolarHBondContact O-N 3.3Å; Q146-G150 PolarHBondContact OE1-O 2.94Å; Q146-D151 PolarHBondContact NE2-OD1 3.49Å; Q146-H192 WeakPolarHBondContact CA-NE2 3.33Å; Q146-H192 PolarHBondContact N-NE2 3.01Å; Q146-H192 PolarHBondContact OE1-CD2 3.46Å; Q146-H192 PolarHBondContact OE1-NE2 3.28Å; Q146-L195 HydrophobicContact CB-CB 4.48Å; Q146-L195 HydrophobicContact CB-CD1 4.2Å; Q146-L195 HydrophobicContact CG-CB 4.31Å; Q146-M198 HydrophobicContact CG-CB 4.2Å; Q146-M198 PolarHBondContact NE2-O 2.91Å; Q146-A203 HydrophobicContact CB-CB 3.84Å; Q146-A203 HydrophobicContact CG-CB 3.79Å
147A96.9Very high88.3Confident8 Ų855.2 Ų55.27%0.06627%0.269CS..Hα-helixtrans-69.5-39.3177.100000112.6Y118 Y143 A144 L145 T200 A203 I204Y118-A147 HydrophobicContact CE1-CB 4.26Å; Y118-A147 HydrophobicContact CE2-CB 4.36Å; Y143-A147 WeakPolarHBondContact O-CB 3.39Å; Y143-A147 PolarHBondContact O-N 3.45Å; A144-A147 PolarHBondContact O-N 3.25Å; L145-A147 VanDerWaalsContact C-N 3.3Å; L145-A147 PolarHBondContact O-N 3.18Å; A147-T200 WeakPolarHBondContact O-CG2 3.1Å; A147-A203 HydrophobicContact CB-CB 4.19Å; A147-I204 HydrophobicContact CB-CD1 4.47Å; A147-I204 HydrophobicContact CB-CG1 3.69Å
148D95.1Very high86.4Confident60 Ų6059.4 Ų59.432%0.32131%0.312SS..Hα-helixtrans-84.1-38.8-176.1-67.8-3.7000112.6Y118 R122 A144 L145 Y170Y118-D148 WeakPolarHBondContact CE1-OD1 3.49Å; Y118-D148 PolarHBondContact OH-OD1 2.7Å; R122-D148 IonicContact CZ-OD2 3.97Å; R122-D148 IonicContact NH1-OD1 3.41Å; R122-D148 PolarHBondContact NH1-OD1 3.26Å; R122-D148 IonicContact NH1-OD2 3.14Å; R122-D148 PolarHBondContact NH1-OD2 3.41Å; R122-D148 IonicContact NH2-OD2 3.49Å; R122-D148 PolarHBondContact NH2-OD2 2.95Å; A144-D148 VanDerWaalsContact O-CB 3.32Å; A144-D148 WeakPolarHBondContact O-CB 3.4Å; A144-D148 PolarHBondContact O-N 3Å; L145-D148 PolarHBondContact O-N 3.34Å; D148-Y170 VanDerWaalsContact OD2-CE1 3.27Å; D148-Y170 WeakPolarHBondContact OD2-CE1 3.41Å; D148-Y170 PolarHBondContact OD2-OH 3.36Å
149L94Very high84.4Confident88 Ų8865.2 Ų65.246%0.46134%0.342SS..Hα-helixtrans-113.7-15.7-167.5-54179.2000113.6L145 Y164L145-L149 HydrophobicContact CD2-CD1 4.02Å; L145-L149 WeakPolarHBondContact O-CB 3.26Å; L145-L149 PolarHBondContact O-N 2.87Å; L149-Y164 HydrophobicContact CD1-CD2 3.64Å; L149-Y164 HydrophobicContact CD1-CE2 3.87Å
150G93.7Very high82.5Confident16 Ų1669.5 Ų69.517%0.16536%0.362CS..  trans73.6-155.9-167.300000111.4Q146 H192Q146-G150 VanDerWaalsContact O-CA 3.28Å; Q146-G150 WeakPolarHBondContact O-CA 3.46Å; Q146-G150 PolarHBondContact O-N 3.3Å; Q146-G150 PolarHBondContact OE1-O 2.94Å; G150-H192 PolarHBondContact O-CE1 2.87Å; G150-H192 PolarHBondContact O-NE2 2.83Å
151D93.4Very high80.7Confident66 Ų6674.4 Ų74.435%0.35339%0.392SS..SBendtrans-56.7143.2-177-69.7-36.4000112.9Q146 W196 G197Q146-D151 PolarHBondContact NE2-OD1 3.49Å; D151-W196 HydrophobicContact CB-CD2 4.31Å; D151-W196 HydrophobicContact CB-CE3 3.86Å; D151-W196 HydrophobicContact CB-CH2 4.33Å; D151-W196 HydrophobicContact CB-CZ3 3.88Å; D151-G197 PolarHBondContact OD1-N 2.88Å
152C88.4Confident79.2Confident14 Ų1480 Ų8010%0.09543%0.426CS..PPolyproline II helixtrans-53.2128.4-179.8-173.10000111.4M154 H192 W196C152-M154 PolarHBondContact O-N 3.41Å; C152-M154 VanDerWaalsContact O-N 3.17Å; C152-H192 WeakPolarHBondContact CA-CE1 3.44Å; C152-H192 WeakPolarHBondContact CA-ND1 3.38Å; C152-H192 HydrophobicContact CB-CB 4.27Å; C152-H192 VanDerWaalsContact CB-ND1 3.34Å; C152-H192 WeakPolarHBondContact CB-ND1 3.43Å; C152-W196 WeakPolarHBondContact O-CZ3 3.49Å
153P83.5Confident78.4Confident65 Ų6583.3 Ų83.342%0.42245%0.449SS..PPolyproline II helixtrans-59.2126.5179.222.9-32.3000109.9Q155 Y164P153-Q155 PolarHBondContact O-N 3.35Å; P153-Q155 VanDerWaalsContact O-N 3.14Å; P153-Y164 HydrophobicContact CG-CD1 3.73Å; P153-Y164 HydrophobicContact CG-CD2 4.1Å; P153-Y164 HydrophobicContact CG-CE1 4.14Å; P153-Y164 HydrophobicContact CG-CE2 4.48Å; P153-Y164 HydrophobicContact CG-CG 3.72Å
154M69.8Low77.9Confident141 Ų14184.6 Ų84.670%0.69545%0.454SS*.PPolyproline II helixtrans-58.9116.6175-77.6-86164.700108.8C152 R156 W196C152-M154 PolarHBondContact O-N 3.41Å; C152-M154 VanDerWaalsContact O-N 3.17Å; M154-R156 PolarHBondContact O-N 2.81Å; M154-R156 VanDerWaalsContact O-N 3.11Å; M154-W196 HydrophobicContact CE-CE3 4.12Å; M154-W196 HydrophobicContact CE-CH2 3.31Å; M154-W196 HydrophobicContact CE-CZ2 3.85Å; M154-W196 HydrophobicContact CE-CZ3 3.46Å; M154-W196 VanDerWaalsContact CE-CZ3 3.46Å; M154-W196 HydrophobicContact CG-CH2 4.11Å; M154-W196 HydrophobicContact CG-CZ3 4.25Å
155Q64.4Low77.7Confident134 Ų13485 Ų8563%0.62646%0.456SS*.  trans-67.8111.1171.2-78-1755.900108.1P153P153-Q155 PolarHBondContact O-N 3.35Å; P153-Q155 VanDerWaalsContact O-N 3.14Å
156R56.2Low77.6Confident204 Ų20490 Ų9077%0.7748%0.479SS*.  trans-76.4123.6172.5-164.9-179.4-68.2-178.5-1.2107.9M154 G158M154-R156 PolarHBondContact O-N 2.81Å; M154-R156 VanDerWaalsContact O-N 3.11Å; R156-G158 PolarHBondContact O-N 2.84Å
157E48.3Very low77.4Confident199 Ų19990.4 Ų90.493%0.9348%0.482SS*.THydrogen-bonded Turntrans-52.5127.4178.6-78175.3153.700110.9
158G54.7Low77.3Confident89 Ų8995.1 Ų95.192%0.91850%0.501SS*.THydrogen-bonded Turntrans101.8-4.2173.400000117.2R156R156-G158 PolarHBondContact O-N 2.84Å
159M55.6Low77.3Confident150 Ų15094.1 Ų94.174%0.73950%0.495SS*.SBendtrans-95.8141.3170.2-84.1-177.9170.200111.8V161M159-V161 PolarHBondContact O-N 2.95Å
160E56.8Low77.4Confident178 Ų17891.1 Ų91.183%0.83248%0.478SS*.  trans-53.3130.8173.3-165.8176.3-168.100109.5T162E160-T162 PolarHBondContact O-N 2.68Å
161V60.1Low77.5Confident106 Ų10690.4 Ų90.464%0.64247%0.47SS*.  trans-70.579.9-177.9-177.50000108.8M159 S163M159-V161 PolarHBondContact O-N 2.95Å; V161-S163 PolarHBondContact O-N 2.8Å
162T66.1Low77.7Confident119 Ų11987.3 Ų87.373%0.7345%0.454SS*.  trans-66.7118.9164.441.80000107.8E160 Y164E160-T162 PolarHBondContact O-N 2.68Å; T162-Y164 PolarHBondContact O-N 2.84Å; T162-Y164 VanDerWaalsContact O-N 3.11Å
163S78.5Confident78.1Confident70 Ų7091.2 Ų91.249%0.4948%0.479SS..  trans-59.1115176.450.80000110V161 F165V161-S163 PolarHBondContact O-N 2.8Å; S163-F165 PolarHBondContact O-N 2.81Å
164Y88.8Confident78.7Confident67 Ų6789.5 Ų89.526%0.26346%0.464SS..SBendtrans-76.6-4.1-179.568-95.8000113.4L145 L149 P153 T162 P189 H192L145-Y164 HydrophobicContact CD2-CE2 4.22Å; L149-Y164 HydrophobicContact CD1-CD2 3.64Å; L149-Y164 HydrophobicContact CD1-CE2 3.87Å; P153-Y164 HydrophobicContact CG-CD1 3.73Å; P153-Y164 HydrophobicContact CG-CD2 4.1Å; P153-Y164 HydrophobicContact CG-CE1 4.14Å; P153-Y164 HydrophobicContact CG-CE2 4.48Å; P153-Y164 HydrophobicContact CG-CG 3.72Å; T162-Y164 PolarHBondContact O-N 2.84Å; T162-Y164 VanDerWaalsContact O-N 3.11Å; Y164-P189 HydrophobicContact CE1-CB 4.1Å; Y164-P189 HydrophobicContact CE1-CG 3.97Å; Y164-P189 WeakPolarHBondContact OH-CA 3.27Å; Y164-H192 AromaticContact CE2-ND1 3.66Å; Y164-H192 AromaticContact CZ-ND1 3.61Å; Y164-H192 PolarHBondContact OH-ND1 3.06Å
165F93Very high79.9Confident10 Ų1082.8 Ų82.84%0.04443%0.431CS..SBendtrans-142.6153.9176.279.7-82.7000111.3L145 S163 P167 Y170 F171 L185 P189L145-F165 HydrophobicContact CD1-CD1 4.43Å; L145-F165 HydrophobicContact CD1-CG 4.42Å; L145-F165 HydrophobicContact CD2-CB 3.51Å; L145-F165 HydrophobicContact CD2-CD1 4.24Å; L145-F165 HydrophobicContact CD2-CD2 4.05Å; L145-F165 HydrophobicContact CD2-CG 3.68Å; S163-F165 PolarHBondContact O-N 2.81Å; F165-P167 HydrophobicContact CE2-CB 4.45Å; F165-P167 HydrophobicContact CE2-CG 4Å; F165-Y170 HydrophobicContact CB-CD2 4.35Å; F165-Y170 HydrophobicContact CB-CE2 3.94Å; F165-Y170 AromaticContact CD2-CD2 3.81Å; F165-Y170 HydrophobicContact CD2-CD2 3.81Å; F165-Y170 HydrophobicContact CD2-CE2 4.26Å; F165-F171 HydrophobicContact CE2-CE2 4.24Å; F165-L185 HydrophobicContact CE1-CD2 4.09Å; F165-L185 HydrophobicContact CE2-CD2 4.43Å; F165-L185 HydrophobicContact CZ-CD2 4.02Å; F165-P189 HydrophobicContact CE1-CG 4.02Å
166E94.3Very high81.5Confident103 Ų10378.1 Ų78.148%0.48141%0.41SS..  trans-100.5121.2174.9-61.2-167.1108.700110.2K168 D169 Y170E166-K168 HydrophobicContact CB-CG 4.13Å; E166-K168 VanDerWaalsContact CD-CE 3.48Å; E166-K168 PolarHBondContact O-N 3.5Å; E166-K168 VanDerWaalsContact O-N 3.1Å; E166-K168 IonicContact OE1-NZ 3.51Å; E166-K168 PolarHBondContact OE1-NZ 3.02Å; E166-K168 WeakPolarHBondContact OE2-CE 3.44Å; E166-K168 IonicContact OE2-NZ 3.02Å; E166-K168 PolarHBondContact OE2-NZ 2.93Å; E166-D169 PolarHBondContact O-N 3.2Å; E166-Y170 WeakPolarHBondContact O-CD2 3.28Å
167P95Very high83.4Confident11 Ų1172.6 Ų72.67%0.07141%0.408CS..G310 helixtrans-58-30.7-176.7-30.737.9000114.5F165 D169 Y170 F171 V181 L184 L185F165-P167 HydrophobicContact CE2-CB 4.45Å; F165-P167 HydrophobicContact CE2-CG 4Å; P167-D169 PolarHBondContact O-N 3.14Å; P167-D169 VanDerWaalsContact O-N 3.07Å; P167-Y170 PolarHBondContact O-N 3.1Å; P167-F171 HydrophobicContact CB-CD2 4.21Å; P167-F171 WeakPolarHBondContact O-CB 3.29Å; P167-F171 PolarHBondContact O-N 3.44Å; P167-V181 HydrophobicContact CG-CG1 4.12Å; P167-L184 HydrophobicContact CB-CB 4Å; P167-L184 HydrophobicContact CB-CD1 3.8Å; P167-L184 HydrophobicContact CG-CB 4.05Å; P167-L185 HydrophobicContact CG-CD2 3.71Å; P167-L185 HydrophobicContact CG-CG 3.89Å
168K94.8Very high85.6Confident107 Ų10768.9 Ų68.947%0.46539%0.389SS..G310 helixtrans-55.2-26.8174.572.6-170.8-175.3-151.50112.3R126 E166 I176R126-K168 PolarHBondContact NE-O 3.39Å; R126-K168 PolarHBondContact NH2-O 3.1Å; E166-K168 HydrophobicContact CB-CG 4.13Å; E166-K168 VanDerWaalsContact CD-CE 3.48Å; E166-K168 PolarHBondContact O-N 3.5Å; E166-K168 VanDerWaalsContact O-N 3.1Å; E166-K168 IonicContact OE1-NZ 3.51Å; E166-K168 PolarHBondContact OE1-NZ 3.02Å; E166-K168 WeakPolarHBondContact OE2-CE 3.44Å; E166-K168 IonicContact OE2-NZ 3.02Å; E166-K168 PolarHBondContact OE2-NZ 2.93Å; K168-I176 HydrophobicContact CB-CD1 4.31Å
169D94.4Very high87.6Confident39 Ų3969.6 Ų69.621%0.20936%0.364CS..G310 helixtrans-87.7-11.7-174.7-68.9-42.5000116.5R122 R126 E166 P167R122-D169 PolarHBondContact NE-O 3.21Å; R122-D169 PolarHBondContact NH2-O 3.07Å; R126-D169 WeakPolarHBondContact CD-O 3.36Å; R126-D169 VanDerWaalsContact CZ-CA 3.45Å; R126-D169 IonicContact CZ-OD1 2.81Å; R126-D169 VanDerWaalsContact CZ-OD1 3.3Å; R126-D169 VanDerWaalsContact NH1-CA 3.28Å; R126-D169 PolarHBondContact NH1-O 2.88Å; R126-D169 IonicContact NH1-OD1 2.81Å; R126-D169 PolarHBondContact NH1-OD1 2.92Å; R126-D169 IonicContact NH2-OD1 3.83Å; R126-D169 PolarHBondContact NH2-OD1 3.28Å; E166-D169 PolarHBondContact O-N 3.2Å; P167-D169 PolarHBondContact O-N 3.14Å; P167-D169 VanDerWaalsContact O-N 3.07Å
170Y96.3Very high89.5Confident26 Ų2663.8 Ų63.810%0.10234%0.342CS..THydrogen-bonded Turntrans-125.9-23.8-174.8-62.8-85.1000112.5A144 L145 D148 F165 E166 P167A144-Y170 HydrophobicContact CB-CD1 3.65Å; A144-Y170 HydrophobicContact CB-CE1 3.95Å; L145-Y170 HydrophobicContact CD2-CD1 4.06Å; L145-Y170 HydrophobicContact CD2-CD2 4.04Å; L145-Y170 HydrophobicContact CD2-CE1 3.74Å; L145-Y170 HydrophobicContact CD2-CE2 3.72Å; L145-Y170 HydrophobicContact CD2-CG 4.21Å; L145-Y170 HydrophobicContact CG-CD1 4.05Å; L145-Y170 HydrophobicContact CG-CE1 4.05Å; L145-Y170 HydrophobicContact CG-CG 4.4Å; D148-Y170 VanDerWaalsContact OD2-CE1 3.27Å; D148-Y170 WeakPolarHBondContact OD2-CE1 3.41Å; D148-Y170 PolarHBondContact OD2-OH 3.36Å; F165-Y170 HydrophobicContact CB-CD2 4.35Å; F165-Y170 HydrophobicContact CB-CE2 3.94Å; F165-Y170 AromaticContact CD2-CD2 3.81Å; F165-Y170 HydrophobicContact CD2-CD2 3.81Å; F165-Y170 HydrophobicContact CD2-CE2 4.26Å; E166-Y170 WeakPolarHBondContact O-CD2 3.28Å; P167-Y170 PolarHBondContact O-N 3.1Å
171F96.4Very high91.4Very high1 Ų158.8 Ų58.80%0.00432%0.324CS..SBendtrans-114.2145.4-177.5-65.4-85.3000112.6F138 A141 F165 P167 I175 I176 L184F138-F171 AromaticContact CD1-CE1 3.99Å; F138-F171 HydrophobicContact CD1-CE1 3.99Å; F138-F171 HydrophobicContact CD1-CZ 4.09Å; F138-F171 HydrophobicContact CD2-CE1 4.44Å; F138-F171 HydrophobicContact CE1-CE1 4.13Å; F138-F171 HydrophobicContact CE1-CZ 4.23Å; F138-F171 HydrophobicContact CG-CE1 4.15Å; F138-F171 HydrophobicContact CZ-CE1 4.41Å; A141-F171 HydrophobicContact CB-CD1 4.26Å; A141-F171 HydrophobicContact CB-CD2 4.34Å; A141-F171 HydrophobicContact CB-CE1 3.58Å; A141-F171 HydrophobicContact CB-CE2 3.67Å; A141-F171 HydrophobicContact CB-CZ 3.25Å; F165-F171 HydrophobicContact CE2-CE2 4.24Å; P167-F171 HydrophobicContact CB-CD2 4.21Å; P167-F171 WeakPolarHBondContact O-CB 3.29Å; P167-F171 PolarHBondContact O-N 3.44Å; F171-I175 HydrophobicContact CB-CB 4.43Å; F171-I175 HydrophobicContact CB-CG2 4.5Å; F171-I175 HydrophobicContact CD1-CD1 4.37Å; F171-I175 HydrophobicContact CD1-CG2 3.95Å; F171-I176 HydrophobicContact CB-CD1 4.35Å; F171-I176 HydrophobicContact CB-CG1 4.01Å; F171-L184 HydrophobicContact CB-CD1 4.24Å; F171-L184 HydrophobicContact CD1-CD2 4.19Å; F171-L184 HydrophobicContact CD2-CD1 3.98Å; F171-L184 HydrophobicContact CD2-CD2 4.39Å; F171-L184 HydrophobicContact CE1-CD2 4.04Å; F171-L184 HydrophobicContact CE2-CB 4.35Å; F171-L184 HydrophobicContact CE2-CD2 4.26Å; F171-L184 HydrophobicContact CG-CD1 4.02Å; F171-L184 HydrophobicContact CG-CD2 4.35Å; F171-L184 HydrophobicContact CZ-CD2 4.07Å
172P96.8Very high93Very high0 Ų062.8 Ų62.80%033%0.333CS..  trans-60.1150168.2-19.128.7000112.7V125 R126 Y137 W174 I175 I176V125-P172 WeakPolarHBondContact O-CG 3.49Å; R126-P172 WeakPolarHBondContact O-CA 3.37Å; Y137-P172 HydrophobicContact CD1-CG 3.53Å; Y137-P172 HydrophobicContact CE1-CG 3.51Å; Y137-P172 HydrophobicContact CG-CG 4.38Å; P172-W174 HydrophobicContact CB-CG 4.34Å; P172-W174 PolarHBondContact O-N 2.91Å; P172-W174 VanDerWaalsContact O-N 3.12Å; P172-I175 HydrophobicContact CB-CG1 4.48Å; P172-I175 HydrophobicContact CG-CD1 4.15Å; P172-I175 HydrophobicContact CG-CG1 4.32Å; P172-I175 PolarHBondContact O-N 3.18Å; P172-I176 PolarHBondContact O-N 3.37Å
173P96.6Very high94.3Very high96 Ų9661.2 Ų61.262%0.62331%0.314SS*.Hα-helixtrans-54.1-34.8178.7-27.634.4000114.2R126 I176 A177R126-P173 WeakPolarHBondContact O-CD 3.27Å; P173-I176 PolarHBondContact O-N 2.87Å; P173-A177 WeakPolarHBondContact O-CB 3.41Å; P173-A177 PolarHBondContact O-N 3.38Å
174W95.3Very high95.1Very high30 Ų3057.9 Ų57.911%0.11429%0.291CS..Hα-helixtrans-70.5-30.3-179.170.6-99.3000113S128 R131 E134 Y137 P172 K178S128-W174 VanDerWaalsContact O-CD1 3.26Å; S128-W174 PolarHBondContact O-NE1 2.8Å; R131-W174 HydrophobicContact CB-CZ3 4.48Å; R131-W174 HydrophobicContact CG-CD2 4.09Å; R131-W174 HydrophobicContact CG-CE3 4.14Å; R131-W174 HydrophobicContact CG-CZ2 4.49Å; R131-W174 HydrophobicContact CG-CZ3 4.37Å; E134-W174 HydrophobicContact CB-CH2 4.39Å; Y137-W174 HydrophobicContact CD2-CH2 4.23Å; Y137-W174 AromaticContact CD2-CZ2 3.89Å; Y137-W174 HydrophobicContact CD2-CZ2 3.89Å; Y137-W174 HydrophobicContact CE2-CH2 4.06Å; Y137-W174 AromaticContact CE2-CZ2 3.43Å; Y137-W174 HydrophobicContact CE2-CZ2 3.43Å; Y137-W174 VanDerWaalsContact CE2-CZ2 3.43Å; Y137-W174 AromaticContact CZ-CZ2 3.78Å; P172-W174 HydrophobicContact CB-CG 4.34Å; P172-W174 PolarHBondContact O-N 2.91Å; P172-W174 VanDerWaalsContact O-N 3.12Å; W174-K178 HydrophobicContact CZ3-CD 4.24Å; W174-K178 WeakPolarHBondContact O-CB 3.41Å; W174-K178 PolarHBondContact O-N 2.94Å
175I96.4Very high95.3Very high0 Ų057.3 Ų57.30%029%0.292CS..Hα-helixtrans-70.5-43.7174.7-62.6-168.1000109.8Y137 F138 F171 P172 A177 K178 R179 L184Y137-I175 HydrophobicContact CD1-CD1 4Å; Y137-I175 HydrophobicContact CD2-CD1 3.58Å; Y137-I175 HydrophobicContact CE2-CD1 4.4Å; Y137-I175 HydrophobicContact CG-CD1 3.33Å; F138-I175 HydrophobicContact CE2-CG2 4.5Å; F171-I175 HydrophobicContact CB-CB 4.43Å; F171-I175 HydrophobicContact CB-CG2 4.5Å; F171-I175 HydrophobicContact CD1-CD1 4.37Å; F171-I175 HydrophobicContact CD1-CG2 3.95Å; P172-I175 HydrophobicContact CB-CG1 4.48Å; P172-I175 HydrophobicContact CG-CD1 4.15Å; P172-I175 HydrophobicContact CG-CG1 4.32Å; P172-I175 PolarHBondContact O-N 3.18Å; I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 3.44Å; I175-K178 PolarHBondContact O-N 3.27Å; I175-R179 PolarHBondContact O-N 3.5Å; I175-L184 HydrophobicContact CG2-CD1 4.48Å; I175-L184 HydrophobicContact CG2-CD2 4.03Å
176I96.5Very high95.2Very high35 Ų3560.1 Ų60.118%0.17931%0.312CS..Hα-helixtrans-60.9-43.3176.7-58.2168.4000110K168 F171 P172 P173 G180 V181 L184K168-I176 HydrophobicContact CB-CD1 4.31Å; F171-I176 HydrophobicContact CB-CD1 4.35Å; F171-I176 HydrophobicContact CB-CG1 4.01Å; P172-I176 PolarHBondContact O-N 3.37Å; P173-I176 PolarHBondContact O-N 2.87Å; I176-G180 WeakPolarHBondContact O-CA 3.38Å; I176-G180 PolarHBondContact O-N 3.29Å; I176-V181 HydrophobicContact CG2-CG2 3.82Å; I176-L184 HydrophobicContact CB-CD1 4.33Å; I176-L184 HydrophobicContact CG1-CD1 3.72Å
177A96.4Very high95.1Very high89 Ų8958 Ų5874%0.73630%0.302SS*.Hα-helixtrans-65.2-38.7175.700000112.8P173 I175P173-A177 WeakPolarHBondContact O-CB 3.41Å; P173-A177 PolarHBondContact O-N 3.38Å; I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 3.44Å
178K95.8Very high94.9Very high120 Ų12057.7 Ų57.752%0.52230%0.3SS..Hα-helixtrans-74.6-45.8-177.9-174.9-175.8-177.8-170.50113.3E134 W174 I175E134-K178 WeakPolarHBondContact OE2-CE 3.47Å; E134-K178 IonicContact OE2-NZ 2.75Å; E134-K178 PolarHBondContact OE2-NZ 2.96Å; W174-K178 HydrophobicContact CZ3-CD 4.24Å; W174-K178 WeakPolarHBondContact O-CB 3.41Å; W174-K178 PolarHBondContact O-N 2.94Å; I175-K178 PolarHBondContact O-N 3.27Å
179R95.7Very high94.8Very high104 Ų10453.6 Ų53.639%0.39229%0.285SS..Hα-helixtrans-100.4-25.2-173.2-64.6-64.1-179.41654.1113.9E134 I175 Y183 L184E134-R179 VanDerWaalsContact CD-NH2 3.3Å; E134-R179 WeakPolarHBondContact OE1-CD 3.15Å; E134-R179 WeakPolarHBondContact OE1-CG 3.27Å; E134-R179 IonicContact OE1-CZ 2.71Å; E134-R179 IonicContact OE1-NE 3.45Å; E134-R179 PolarHBondContact OE1-NE 2.81Å; E134-R179 IonicContact OE1-NH2 2.86Å; E134-R179 PolarHBondContact OE1-NH2 3.31Å; E134-R179 IonicContact OE2-CZ 3.46Å; E134-R179 IonicContact OE2-NE 3.5Å; E134-R179 PolarHBondContact OE2-NE 3.45Å; E134-R179 IonicContact OE2-NH2 2.61Å; E134-R179 PolarHBondContact OE2-NH2 3.2Å; I175-R179 PolarHBondContact O-N 3.5Å; R179-Y183 HydrophobicContact CB-CD1 3.78Å; R179-Y183 HydrophobicContact CB-CE1 4.44Å; R179-Y183 HydrophobicContact CB-CG 4.18Å; R179-Y183 HydrophobicContact CG-CD1 4.19Å; R179-Y183 HydrophobicContact CG-CE1 4.37Å; R179-Y183 VanDerWaalsContact O-CB 3.23Å; R179-Y183 WeakPolarHBondContact O-CB 3.45Å; R179-L184 HydrophobicContact CB-CD2 4.42Å
180G96.1Very high94.7Very high28 Ų2856.9 Ų56.929%0.28930%0.297SS..  trans82.2150.6-176.100000113.5I176 K182 Y183 L184I176-G180 WeakPolarHBondContact O-CA 3.38Å; I176-G180 PolarHBondContact O-N 3.29Å; G180-K182 VanDerWaalsContact C-N 3.33Å; G180-K182 PolarHBondContact O-N 3.48Å; G180-Y183 PolarHBondContact O-N 3.27Å; G180-L184 PolarHBondContact O-N 2.84Å
181V95.8Very high94.6Very high74 Ų7457 Ų5745%0.44830%0.3SS..Hα-helixtrans-58.3-42.3-176.7178.30000112.2P167 I176 Y183 L184 L185P167-V181 HydrophobicContact CG-CG1 4.12Å; I176-V181 HydrophobicContact CG2-CG2 3.82Å; V181-Y183 VanDerWaalsContact C-N 3.32Å; V181-Y183 PolarHBondContact O-N 2.95Å; V181-L184 PolarHBondContact O-N 3.5Å; V181-L185 HydrophobicContact CG1-CD1 3.95Å; V181-L185 HydrophobicContact CG1-CG 4.32Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 3.05Å
182K93.2Very high94.5Very high190 Ų19056.9 Ų56.983%0.82630%0.3SS*.Hα-helixtrans-60.8-40.2-179.1-67.7-174.4178.5-177.60112.6G180 L185 C186G180-K182 VanDerWaalsContact C-N 3.33Å; G180-K182 PolarHBondContact O-N 3.48Å; K182-L185 PolarHBondContact O-N 2.83Å; K182-C186 PolarHBondContact O-N 3.24Å; K182-C186 VanDerWaalsContact O-N 3.14Å
183Y94.6Very high94.4Very high86 Ų8662.8 Ų62.834%0.33733%0.327SS..Hα-helixtrans-63.7-47177-177.5-87.2000110.5F138 R179 G180 V181 L185 C186 H187F138-Y183 HydrophobicContact CE1-CD1 4.45Å; F138-Y183 AromaticContact CE1-CE1 4Å; F138-Y183 HydrophobicContact CE1-CE1 4Å; F138-Y183 HydrophobicContact CZ-CD1 4.14Å; F138-Y183 AromaticContact CZ-CE1 3.65Å; F138-Y183 HydrophobicContact CZ-CE1 3.65Å; R179-Y183 HydrophobicContact CB-CD1 3.78Å; R179-Y183 HydrophobicContact CB-CE1 4.44Å; R179-Y183 HydrophobicContact CB-CG 4.18Å; R179-Y183 HydrophobicContact CG-CD1 4.19Å; R179-Y183 HydrophobicContact CG-CE1 4.37Å; R179-Y183 VanDerWaalsContact O-CB 3.23Å; R179-Y183 WeakPolarHBondContact O-CB 3.45Å; G180-Y183 PolarHBondContact O-N 3.27Å; V181-Y183 VanDerWaalsContact C-N 3.32Å; V181-Y183 PolarHBondContact O-N 2.95Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 3.07Å; Y183-C186 PolarHBondContact O-N 3.14Å; Y183-C186 VanDerWaalsContact O-N 3.1Å; Y183-H187 AromaticContact CD1-CD2 3.87Å; Y183-H187 AromaticContact CD2-CD2 3.59Å; Y183-H187 AromaticContact CD2-NE2 3.74Å; Y183-H187 HydrophobicContact CE1-CB 4.28Å; Y183-H187 AromaticContact CE1-CD2 3.67Å; Y183-H187 AromaticContact CE1-CG 3.99Å; Y183-H187 AromaticContact CE2-CD2 3.4Å; Y183-H187 WeakPolarHBondContact CE2-CD2 3.3Å; Y183-H187 AromaticContact CE2-NE2 3.27Å; Y183-H187 VanDerWaalsContact CE2-NE2 3.27Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.48Å; Y183-H187 AromaticContact CG-CD2 3.83Å; Y183-H187 AromaticContact CZ-CD2 3.43Å; Y183-H187 VanDerWaalsContact CZ-CD2 3.43Å; Y183-H187 AromaticContact CZ-CG 3.91Å; Y183-H187 AromaticContact CZ-NE2 3.59Å; Y183-H187 PolarHBondContact O-CD2 2.93Å; Y183-H187 VanDerWaalsContact O-CD2 3.27Å; Y183-H187 PolarHBondContact O-N 3.17Å
184L95.2Very high94.3Very high0 Ų065.7 Ų65.70%033%0.333CS..Hα-helixtrans-63.2-38.8-179.7-60.3177.9000112.3F138 P167 F171 I175 I176 R179 G180 V181 C186 H187 G188F138-L184 HydrophobicContact CE1-CD2 3.66Å; F138-L184 HydrophobicContact CZ-CD2 3.48Å; F138-L184 VanDerWaalsContact CZ-CD2 3.48Å; P167-L184 HydrophobicContact CB-CB 4Å; P167-L184 HydrophobicContact CB-CD1 3.8Å; P167-L184 HydrophobicContact CG-CB 4.05Å; F171-L184 HydrophobicContact CB-CD1 4.24Å; F171-L184 HydrophobicContact CD1-CD2 4.19Å; F171-L184 HydrophobicContact CD2-CD1 3.98Å; F171-L184 HydrophobicContact CD2-CD2 4.39Å; F171-L184 HydrophobicContact CE1-CD2 4.04Å; F171-L184 HydrophobicContact CE2-CB 4.35Å; F171-L184 HydrophobicContact CE2-CD2 4.26Å; F171-L184 HydrophobicContact CG-CD1 4.02Å; F171-L184 HydrophobicContact CG-CD2 4.35Å; F171-L184 HydrophobicContact CZ-CD2 4.07Å; I175-L184 HydrophobicContact CG2-CD1 4.48Å; I175-L184 HydrophobicContact CG2-CD2 4.03Å; I176-L184 HydrophobicContact CB-CD1 4.33Å; I176-L184 HydrophobicContact CG1-CD1 3.72Å; R179-L184 HydrophobicContact CB-CD2 4.42Å; G180-L184 PolarHBondContact O-N 2.84Å; V181-L184 PolarHBondContact O-N 3.5Å; L184-C186 VanDerWaalsContact C-N 3.29Å; L184-C186 PolarHBondContact O-N 2.89Å; L184-H187 PolarHBondContact O-N 3.29Å; L184-G188 WeakPolarHBondContact O-CA 3.39Å; L184-G188 PolarHBondContact O-N 3.35Å
185L93.1Very high94.3Very high54 Ų5465.3 Ų65.328%0.28333%0.333SS..Hα-helixtrans-68.5-26.7175.4-70.3177.3000113.3F165 P167 V181 K182 Y183 P189F165-L185 HydrophobicContact CE1-CD2 4.09Å; F165-L185 HydrophobicContact CE2-CD2 4.43Å; F165-L185 HydrophobicContact CZ-CD2 4.02Å; P167-L185 HydrophobicContact CG-CD2 3.71Å; P167-L185 HydrophobicContact CG-CG 3.89Å; V181-L185 HydrophobicContact CG1-CD1 3.95Å; V181-L185 HydrophobicContact CG1-CG 4.32Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 3.05Å; K182-L185 PolarHBondContact O-N 2.83Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 3.07Å; L185-P189 WeakPolarHBondContact O-CD 3.27Å; L185-P189 WeakPolarHBondContact O-CG 3.03Å
186C90.8Very high94.3Very high69 Ų6971.8 Ų71.847%0.46636%0.357SS..Hα-helixtrans-81.2-37176.3-1750000112.7K182 Y183 L184 K190K182-C186 PolarHBondContact O-N 3.24Å; K182-C186 VanDerWaalsContact O-N 3.14Å; Y183-C186 PolarHBondContact O-N 3.14Å; Y183-C186 VanDerWaalsContact O-N 3.1Å; L184-C186 VanDerWaalsContact C-N 3.29Å; L184-C186 PolarHBondContact O-N 2.89Å; C186-K190 WeakPolarHBondContact O-CE 3.46Å
187H91.4Very high94.2Very high60 Ų6072.8 Ų72.828%0.27838%0.376SS..Hα-helixtrans-98.1-31.1-173.4-72.2-86.9000114.1F138 Y183 L184 K190 V191F138-H187 HydrophobicContact CE1-CB 4.28Å; Y183-H187 AromaticContact CD1-CD2 3.87Å; Y183-H187 AromaticContact CD2-CD2 3.59Å; Y183-H187 AromaticContact CD2-NE2 3.74Å; Y183-H187 HydrophobicContact CE1-CB 4.28Å; Y183-H187 AromaticContact CE1-CD2 3.67Å; Y183-H187 AromaticContact CE1-CG 3.99Å; Y183-H187 AromaticContact CE2-CD2 3.4Å; Y183-H187 WeakPolarHBondContact CE2-CD2 3.3Å; Y183-H187 AromaticContact CE2-NE2 3.27Å; Y183-H187 VanDerWaalsContact CE2-NE2 3.27Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.48Å; Y183-H187 AromaticContact CG-CD2 3.83Å; Y183-H187 AromaticContact CZ-CD2 3.43Å; Y183-H187 VanDerWaalsContact CZ-CD2 3.43Å; Y183-H187 AromaticContact CZ-CG 3.91Å; Y183-H187 AromaticContact CZ-NE2 3.59Å; Y183-H187 PolarHBondContact O-CD2 2.93Å; Y183-H187 VanDerWaalsContact O-CD2 3.27Å; Y183-H187 PolarHBondContact O-N 3.17Å; L184-H187 PolarHBondContact O-N 3.29Å; H187-K190 WeakPolarHBondContact O-CB 3.35Å; H187-K190 PolarHBondContact O-N 2.83Å; H187-K190 VanDerWaalsContact O-N 3.13Å; H187-V191 PolarHBondContact O-N 3.29Å
188G92Very high94.2Very high3 Ų371 Ų713%0.03135%0.354CS..Hα-helixtrans-54.9-46.5177.900000113.7L184 K190 V191 H192L184-G188 WeakPolarHBondContact O-CA 3.39Å; L184-G188 PolarHBondContact O-N 3.35Å; G188-K190 VanDerWaalsContact C-N 3.27Å; G188-K190 PolarHBondContact O-N 3.04Å; G188-V191 PolarHBondContact O-N 3.1Å; G188-H192 PolarHBondContact O-N 3.47Å
189P91.9Very high94.2Very high21 Ų2167.5 Ų67.514%0.13634%0.344CS..Hα-helixtrans-61.7-31.3176.9-25.836.4000114.3Y164 F165 L185 H192 Q193Y164-P189 HydrophobicContact CE1-CB 4.1Å; Y164-P189 HydrophobicContact CE1-CG 3.97Å; Y164-P189 WeakPolarHBondContact OH-CA 3.27Å; F165-P189 HydrophobicContact CE1-CG 4.02Å; L185-P189 WeakPolarHBondContact O-CD 3.27Å; L185-P189 WeakPolarHBondContact O-CG 3.03Å; P189-H192 PolarHBondContact O-N 2.9Å; P189-Q193 VanDerWaalsContact O-CB 3.32Å; P189-Q193 WeakPolarHBondContact O-CB 3.48Å; P189-Q193 PolarHBondContact O-N 3.4Å
190K92.4Very high94.2Very high108 Ų10864.8 Ų64.847%0.4734%0.339SS..Hα-helixtrans-66.3-45.8178.5-59.2-179.4-177.4178.50110.8C186 H187 G188 H192 Q193 E194C186-K190 WeakPolarHBondContact O-CE 3.46Å; H187-K190 WeakPolarHBondContact O-CB 3.35Å; H187-K190 PolarHBondContact O-N 2.83Å; H187-K190 VanDerWaalsContact O-N 3.13Å; G188-K190 VanDerWaalsContact C-N 3.27Å; G188-K190 PolarHBondContact O-N 3.04Å; K190-H192 VanDerWaalsContact C-N 3.31Å; K190-H192 PolarHBondContact O-N 3.35Å; K190-Q193 PolarHBondContact O-N 2.86Å; K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.13Å; K190-E194 VanDerWaalsContact O-N 3.1Å
191V93.6Very high94.1Very high28 Ų2866.5 Ų66.517%0.1734%0.337CS..Hα-helixtrans-65.1-37.7175.6-174.10000110.9H187 G188 Q193 E194H187-V191 PolarHBondContact O-N 3.29Å; G188-V191 PolarHBondContact O-N 3.1Å; V191-Q193 VanDerWaalsContact C-N 3.35Å; V191-E194 PolarHBondContact O-N 3.01Å
192H95.3Very high94.1Very high0 Ų065.5 Ų65.50%033%0.329CS..Hα-helixtrans-64.4-39.7175.2-168.4-154.7000112.2L145 Q146 G150 C152 Y164 G188 P189 K190 E194 L195L145-H192 HydrophobicContact CB-CB 4.49Å; L145-H192 HydrophobicContact CD1-CB 4.18Å; Q146-H192 WeakPolarHBondContact CA-NE2 3.33Å; Q146-H192 PolarHBondContact N-NE2 3.01Å; Q146-H192 PolarHBondContact OE1-CD2 3.46Å; Q146-H192 PolarHBondContact OE1-NE2 3.28Å; G150-H192 PolarHBondContact O-CE1 2.87Å; G150-H192 PolarHBondContact O-NE2 2.83Å; C152-H192 WeakPolarHBondContact CA-CE1 3.44Å; C152-H192 WeakPolarHBondContact CA-ND1 3.38Å; C152-H192 HydrophobicContact CB-CB 4.27Å; C152-H192 VanDerWaalsContact CB-ND1 3.34Å; C152-H192 WeakPolarHBondContact CB-ND1 3.43Å; Y164-H192 AromaticContact CE2-ND1 3.66Å; Y164-H192 AromaticContact CZ-ND1 3.61Å; Y164-H192 PolarHBondContact OH-ND1 3.06Å; G188-H192 PolarHBondContact O-N 3.47Å; P189-H192 PolarHBondContact O-N 2.9Å; K190-H192 VanDerWaalsContact C-N 3.31Å; K190-H192 PolarHBondContact O-N 3.35Å; H192-E194 PolarHBondContact O-N 3.12Å; H192-L195 PolarHBondContact O-N 3.02Å
193Q93.9Very high94.3Very high123 Ų12356.5 Ų56.558%0.57529%0.29SS*.Hα-helixtrans-66.3-34.5178.2-173.5177.618.900112.8P189 K190 V191 L195 W196P189-Q193 VanDerWaalsContact O-CB 3.32Å; P189-Q193 WeakPolarHBondContact O-CB 3.48Å; P189-Q193 PolarHBondContact O-N 3.4Å; K190-Q193 PolarHBondContact O-N 2.86Å; V191-Q193 VanDerWaalsContact C-N 3.35Å; Q193-L195 PolarHBondContact O-N 2.86Å; Q193-W196 VanDerWaalsContact O-CB 3.29Å; Q193-W196 WeakPolarHBondContact O-CB 3.31Å; Q193-W196 PolarHBondContact O-N 3.05Å; Q193-W196 VanDerWaalsContact O-N 3.13Å
194E94.6Very high94.5Very high157 Ų15752.4 Ų52.473%0.73427%0.274SS*.Hα-helixtrans-62-20.6174.4-72.4171.4-16900112.9K190 V191 H192 W196K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.13Å; K190-E194 VanDerWaalsContact O-N 3.1Å; V191-E194 PolarHBondContact O-N 3.01Å; H192-E194 PolarHBondContact O-N 3.12Å; E194-W196 VanDerWaalsContact C-N 3.35Å
195L96Very high94.5Very high23 Ų2353 Ų5312%0.1228%0.277CS..THydrogen-bonded Turntrans-93.49.9178.9-57.8175.9000113.3G142 Y143 Q146 H192 Q193 G197 M198G142-L195 WeakPolarHBondContact O-CD1 3.33Å; Y143-L195 HydrophobicContact CD1-CD1 3.72Å; Y143-L195 HydrophobicContact CD1-CD2 4.11Å; Y143-L195 HydrophobicContact CE1-CD1 4.12Å; Y143-L195 HydrophobicContact CE1-CD2 3.66Å; Y143-L195 HydrophobicContact CG-CD1 4.49Å; Q146-L195 HydrophobicContact CB-CB 4.48Å; Q146-L195 HydrophobicContact CB-CD1 4.2Å; Q146-L195 HydrophobicContact CG-CB 4.31Å; H192-L195 PolarHBondContact O-N 3.02Å; Q193-L195 PolarHBondContact O-N 2.86Å; L195-G197 PolarHBondContact O-N 3.5Å; L195-M198 HydrophobicContact CB-CB 4.46Å; L195-M198 HydrophobicContact CD2-CE 3.88Å; L195-M198 HydrophobicContact CD2-SD 4.24Å; L195-M198 WeakPolarHBondContact O-CB 3.49Å; L195-M198 PolarHBondContact O-N 3.49Å
196W95.5Very high94.7Very high135 Ų13551.9 Ų51.951%0.51127%0.273SS..THydrogen-bonded Turntrans-52.3130-179.9-177.8-81.5000112.3D151 C152 M154 Q193 E194 M198D151-W196 HydrophobicContact CB-CD2 4.31Å; D151-W196 HydrophobicContact CB-CE3 3.86Å; D151-W196 HydrophobicContact CB-CH2 4.33Å; D151-W196 HydrophobicContact CB-CZ3 3.88Å; C152-W196 WeakPolarHBondContact O-CZ3 3.49Å; M154-W196 HydrophobicContact CE-CE3 4.12Å; M154-W196 HydrophobicContact CE-CH2 3.31Å; M154-W196 HydrophobicContact CE-CZ2 3.85Å; M154-W196 HydrophobicContact CE-CZ3 3.46Å; M154-W196 VanDerWaalsContact CE-CZ3 3.46Å; M154-W196 HydrophobicContact CG-CH2 4.11Å; M154-W196 HydrophobicContact CG-CZ3 4.25Å; Q193-W196 VanDerWaalsContact O-CB 3.29Å; Q193-W196 WeakPolarHBondContact O-CB 3.31Å; Q193-W196 PolarHBondContact O-N 3.05Å; Q193-W196 VanDerWaalsContact O-N 3.13Å; E194-W196 VanDerWaalsContact C-N 3.35Å; W196-M198 VanDerWaalsContact C-N 3.27Å; W196-M198 PolarHBondContact O-N 3.23Å
197G94.1Very high95.1Very high56 Ų5648.7 Ų48.758%0.57725%0.251SS*.THydrogen-bonded Turntrans82.9-3.6-17800000114.2D151 L195 S199D151-G197 PolarHBondContact OD1-N 2.88Å; L195-G197 PolarHBondContact O-N 3.5Å; G197-S199 PolarHBondContact O-N 3.36Å
198M96.7Very high95.3Very high53 Ų5345.9 Ų45.926%0.26124%0.238SC..  trans-71.5127.5171.7-177.6174.7-71.600110Y143 Q146 L195 W196 D202 A203Y143-M198 HydrophobicContact CD1-SD 4.08Å; Y143-M198 HydrophobicContact CE1-CE 4.16Å; Y143-M198 HydrophobicContact CE1-SD 4.09Å; Q146-M198 HydrophobicContact CG-CB 4.2Å; Q146-M198 PolarHBondContact NE2-O 2.91Å; L195-M198 HydrophobicContact CB-CB 4.46Å; L195-M198 HydrophobicContact CD2-CE 3.88Å; L195-M198 HydrophobicContact CD2-SD 4.24Å; L195-M198 WeakPolarHBondContact O-CB 3.49Å; L195-M198 PolarHBondContact O-N 3.49Å; W196-M198 VanDerWaalsContact C-N 3.27Å; W196-M198 PolarHBondContact O-N 3.23Å; M198-D202 HydrophobicContact CG-CB 4.15Å; M198-A203 HydrophobicContact CG-CB 4.3Å; M198-A203 HydrophobicContact SD-CB 3.98Å
199S96.1Very high95.5Very high46 Ų4649.2 Ų49.232%0.32225%0.25SC..  trans-65.1147.9176.982.20000111.3G197 R201 D202 A203G197-S199 PolarHBondContact O-N 3.36Å; S199-R201 PolarHBondContact O-N 2.9Å; S199-R201 VanDerWaalsContact O-N 3.08Å; S199-D202 PolarHBondContact O-N 3.04Å; S199-D202 PolarHBondContact OG-N 2.98Å; S199-D202 VanDerWaalsContact OG-N 3.12Å; S199-D202 PolarHBondContact OG-OD2 3.29Å; S199-A203 PolarHBondContact O-N 3.26Å
200T95.9Very high95.7Very high47 Ų4750 Ų5029%0.28825%0.251SS..Hα-helixtrans-50.1-36172.2-62.10000112.4A147 I204A147-T200 WeakPolarHBondContact O-CG2 3.1Å; T200-I204 HydrophobicContact CG2-CD1 4.2Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.32Å; T200-I204 PolarHBondContact O-N 2.84Å; T200-I204 VanDerWaalsContact O-N 3.12Å
201R95.1Very high95.9Very high64 Ų6444.8 Ų44.824%0.24223%0.229CC..Hα-helixtrans-66.6-47.7178.5-179.6-170.968.7-162.2-7.4111.4S199 A203 I204 F205 E438S199-R201 PolarHBondContact O-N 2.9Å; S199-R201 VanDerWaalsContact O-N 3.08Å; R201-A203 VanDerWaalsContact C-N 3.31Å; R201-I204 WeakPolarHBondContact O-CB 3.38Å; R201-I204 PolarHBondContact O-N 2.93Å; R201-F205 HydrophobicContact CG-CD2 4.2Å; R201-F205 HydrophobicContact CG-CE1 4.15Å; R201-F205 HydrophobicContact CG-CE2 3.62Å; R201-F205 HydrophobicContact CG-CZ 3.6Å; R201-F205 WeakPolarHBondContact O-CG 3.27Å; R201-F205 PolarHBondContact O-N 2.83Å; R201-E438 IonicContact CZ-OE1 2.68Å; R201-E438 IonicContact CZ-OE2 3.42Å; R201-E438 IonicContact NH1-OE1 3.05Å; R201-E438 PolarHBondContact NH1-OE1 3.43Å; R201-E438 IonicContact NH1-OE2 3.41Å; R201-E438 PolarHBondContact NH1-OE2 2.96Å; R201-E438 VanDerWaalsContact NH2-CD 3.31Å; R201-E438 IonicContact NH2-OE1 2.87Å; R201-E438 PolarHBondContact NH2-OE1 2.91Å; R201-E438 IonicContact NH2-OE2 2.65Å; R201-E438 PolarHBondContact NH2-OE2 3.02Å
202D95.5Very high95.9Very high53 Ų5344.3 Ų44.328%0.28323%0.226SC..Hα-helixtrans-71.8-32.2-176.9-55.8-35.2000110.8M198 S199 I204 F205 S206M198-D202 HydrophobicContact CG-CB 4.15Å; S199-D202 PolarHBondContact O-N 3.04Å; S199-D202 PolarHBondContact OG-N 2.98Å; S199-D202 VanDerWaalsContact OG-N 3.12Å; S199-D202 PolarHBondContact OG-OD2 3.29Å; D202-I204 VanDerWaalsContact C-N 3.33Å; D202-I204 PolarHBondContact O-N 3.01Å; D202-F205 WeakPolarHBondContact O-CB 3.15Å; D202-F205 PolarHBondContact O-N 2.82Å; D202-S206 PolarHBondContact O-N 2.81Å; D202-S206 PolarHBondContact O-OG 3.28Å; D202-S206 VanDerWaalsContact O-OG 3.07Å
203A97.6Very high95.7Very high0 Ų049.5 Ų49.50%025%0.251CS..Hα-helixtrans-58.1-44168.500000111.7Q146 A147 M198 S199 R201 S206 F207Q146-A203 HydrophobicContact CB-CB 3.84Å; Q146-A203 HydrophobicContact CG-CB 3.79Å; A147-A203 HydrophobicContact CB-CB 4.19Å; M198-A203 HydrophobicContact CG-CB 4.3Å; M198-A203 HydrophobicContact SD-CB 3.98Å; S199-A203 PolarHBondContact O-N 3.26Å; R201-A203 VanDerWaalsContact C-N 3.31Å; A203-S206 PolarHBondContact O-N 2.83Å; A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 2.96Å
204I97.8Very high95.7Very high0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-64.3-41.7174.1-67.8164.3000111.6R114 H115 Y118 A147 T200 R201 D202 S206 F207 I208R114-I204 HydrophobicContact CG-CG2 3.66Å; H115-I204 WeakPolarHBondContact CE1-CD1 3.5Å; Y118-I204 HydrophobicContact CD1-CG1 4.37Å; Y118-I204 HydrophobicContact CD2-CG1 4.39Å; Y118-I204 HydrophobicContact CD2-CG2 4.41Å; Y118-I204 HydrophobicContact CG-CG1 4.18Å; Y118-I204 HydrophobicContact CG-CG2 4.19Å; A147-I204 HydrophobicContact CB-CD1 4.47Å; A147-I204 HydrophobicContact CB-CG1 3.69Å; T200-I204 HydrophobicContact CG2-CD1 4.2Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.32Å; T200-I204 PolarHBondContact O-N 2.84Å; T200-I204 VanDerWaalsContact O-N 3.12Å; R201-I204 WeakPolarHBondContact O-CB 3.38Å; R201-I204 PolarHBondContact O-N 2.93Å; D202-I204 VanDerWaalsContact C-N 3.33Å; D202-I204 PolarHBondContact O-N 3.01Å; I204-S206 PolarHBondContact O-N 3.34Å; I204-F207 PolarHBondContact O-N 3.11Å; I204-I208 HydrophobicContact CG2-CD1 3.64Å; I204-I208 HydrophobicContact CG2-CG1 4.31Å; I204-I208 VanDerWaalsContact O-CG1 3.29Å; I204-I208 WeakPolarHBondContact O-CG1 3.49Å; I204-I208 PolarHBondContact O-N 3.31Å
205F96Very high95.4Very high14 Ų1442.8 Ų42.86%0.06122%0.22CC..Hα-helixtrans-60.9-44.5177-66-23.6000112.3G105 R106 R114 R201 D202 I208 R209G105-F205 VanDerWaalsContact C-CD1 3.41Å; G105-F205 WeakPolarHBondContact O-CE1 3.27Å; R106-F205 HydrophobicContact CG-CD2 3.87Å; R106-F205 HydrophobicContact CG-CE2 3.84Å; R106-F205 HydrophobicContact CG-CG 4.23Å; R106-F205 HydrophobicContact CG-CZ 4.16Å; R114-F205 VanDerWaalsContact CD-CE1 3.43Å; R114-F205 HydrophobicContact CG-CE1 4.26Å; R201-F205 HydrophobicContact CG-CD2 4.2Å; R201-F205 HydrophobicContact CG-CE1 4.15Å; R201-F205 HydrophobicContact CG-CE2 3.62Å; R201-F205 HydrophobicContact CG-CZ 3.6Å; R201-F205 WeakPolarHBondContact O-CG 3.27Å; R201-F205 PolarHBondContact O-N 2.83Å; D202-F205 WeakPolarHBondContact O-CB 3.15Å; D202-F205 PolarHBondContact O-N 2.82Å; F205-I208 PolarHBondContact O-N 3.2Å; F205-R209 WeakPolarHBondContact O-CB 3.34Å; F205-R209 PolarHBondContact O-N 2.76Å; F205-R209 VanDerWaalsContact O-N 3.08Å
206S97Very high95.1Very high29 Ų2943.3 Ų43.320%0.20322%0.222CC..Hα-helixtrans-66.4-42.5176.5-59.20000111.2D202 A203 I204 I208 R209 E210D202-S206 PolarHBondContact O-N 2.81Å; D202-S206 PolarHBondContact O-OG 3.28Å; D202-S206 VanDerWaalsContact O-OG 3.07Å; A203-S206 PolarHBondContact O-N 2.83Å; I204-S206 PolarHBondContact O-N 3.34Å; S206-I208 PolarHBondContact O-N 2.85Å; S206-R209 PolarHBondContact O-N 2.85Å; S206-E210 PolarHBondContact O-N 3.47Å
207F98.1Very high94.9Very high3 Ų337 Ų371%0.01320%0.198CC..Hα-helixtrans-56.7-49.1175-174.1-83.4000111.7Y118 L121 R122 V125 L140 A144 A203 I204 R209 E210 A211Y118-F207 HydrophobicContact CD2-CB 4.25Å; Y118-F207 AromaticContact CD2-CD1 3.5Å; Y118-F207 HydrophobicContact CD2-CD1 3.5Å; Y118-F207 AromaticContact CD2-CE1 3.98Å; Y118-F207 HydrophobicContact CD2-CE1 3.98Å; Y118-F207 AromaticContact CD2-CG 3.83Å; Y118-F207 HydrophobicContact CD2-CG 3.83Å; Y118-F207 HydrophobicContact CE2-CB 4.18Å; Y118-F207 AromaticContact CE2-CD1 3.66Å; Y118-F207 HydrophobicContact CE2-CD1 3.66Å; Y118-F207 AromaticContact CE2-CD2 3.88Å; Y118-F207 HydrophobicContact CE2-CD2 3.88Å; Y118-F207 AromaticContact CE2-CE1 3.98Å; Y118-F207 HydrophobicContact CE2-CE1 3.98Å; Y118-F207 HydrophobicContact CE2-CE2 4.18Å; Y118-F207 AromaticContact CE2-CG 3.61Å; Y118-F207 HydrophobicContact CE2-CG 3.61Å; Y118-F207 HydrophobicContact CE2-CZ 4.24Å; L121-F207 HydrophobicContact CB-CE1 4.42Å; L121-F207 HydrophobicContact CD2-CD1 4.46Å; L121-F207 HydrophobicContact CD2-CE1 4.38Å; L121-F207 HydrophobicContact CG-CE1 4.4Å; R122-F207 HydrophobicContact CB-CE1 4.11Å; R122-F207 HydrophobicContact CB-CZ 3.88Å; R122-F207 HydrophobicContact CG-CZ 4.24Å; V125-F207 HydrophobicContact CB-CZ 4.32Å; V125-F207 HydrophobicContact CG2-CE1 4.29Å; V125-F207 HydrophobicContact CG2-CZ 3.94Å; L140-F207 HydrophobicContact CB-CD2 4.34Å; L140-F207 HydrophobicContact CB-CE2 3.94Å; L140-F207 HydrophobicContact CD2-CD2 3.77Å; L140-F207 HydrophobicContact CD2-CE2 3.8Å; L140-F207 HydrophobicContact CD2-CG 4.14Å; L140-F207 HydrophobicContact CD2-CZ 4.2Å; L140-F207 HydrophobicContact CG-CE2 4.47Å; L140-F207 WeakPolarHBondContact O-CD2 3.46Å; L140-F207 WeakPolarHBondContact O-CE2 3.45Å; A144-F207 HydrophobicContact CB-CD2 4Å; A144-F207 HydrophobicContact CB-CE2 3.83Å; A203-F207 WeakPolarHBondContact O-CB 3.36Å; A203-F207 PolarHBondContact O-N 2.96Å; I204-F207 PolarHBondContact O-N 3.11Å; F207-R209 VanDerWaalsContact C-N 3.34Å; F207-R209 PolarHBondContact O-N 2.85Å; F207-E210 PolarHBondContact O-N 2.84Å; F207-A211 HydrophobicContact CD1-CB 4.29Å; F207-A211 HydrophobicContact CE1-CB 4.03Å; F207-A211 WeakPolarHBondContact O-CB 3.24Å; F207-A211 PolarHBondContact O-N 2.65Å
208I97.1Very high94.9Very high0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-60.9-46-179.8-70.5164.7000110.5F108 Y117 L121 I204 F205 S206 A211 C212F108-I208 HydrophobicContact CD2-CD1 4.31Å; F108-I208 HydrophobicContact CE2-CD1 3.99Å; Y117-I208 HydrophobicContact CD1-CD1 3.76Å; Y117-I208 HydrophobicContact CD1-CG1 3.97Å; Y117-I208 HydrophobicContact CE1-CD1 4.17Å; Y117-I208 HydrophobicContact CE1-CG1 4.03Å; Y117-I208 HydrophobicContact CE1-CG2 3.82Å; L121-I208 HydrophobicContact CD2-CB 4.34Å; L121-I208 HydrophobicContact CD2-CG1 4.15Å; L121-I208 HydrophobicContact CD2-CG2 4.4Å; I204-I208 HydrophobicContact CG2-CD1 3.64Å; I204-I208 HydrophobicContact CG2-CG1 4.31Å; I204-I208 VanDerWaalsContact O-CG1 3.29Å; I204-I208 WeakPolarHBondContact O-CG1 3.49Å; I204-I208 PolarHBondContact O-N 3.31Å; F205-I208 PolarHBondContact O-N 3.2Å; S206-I208 PolarHBondContact O-N 2.85Å; I208-A211 PolarHBondContact O-N 3.35Å; I208-C212 WeakPolarHBondContact O-CB 3.23Å; I208-C212 PolarHBondContact O-N 2.9Å; I208-C212 PolarHBondContact O-SG 3.09Å
209R95.2Very high94.7Very high73 Ų7332.3 Ų32.328%0.27516%0.162SC..Hα-helixtrans-59.7-48.7-179.8-172.2-175.2-54-125.6-4.4112F205 S206 F207 E326F205-R209 WeakPolarHBondContact O-CB 3.34Å; F205-R209 PolarHBondContact O-N 2.76Å; F205-R209 VanDerWaalsContact O-N 3.08Å; S206-R209 PolarHBondContact O-N 2.85Å; F207-R209 VanDerWaalsContact C-N 3.34Å; F207-R209 PolarHBondContact O-N 2.85Å; R209-E326 IonicContact CZ-OE1 3.01Å; R209-E326 IonicContact CZ-OE2 3.17Å; R209-E326 IonicContact NH1-OE1 3.5Å; R209-E326 PolarHBondContact NH1-OE1 2.94Å; R209-E326 IonicContact NH1-OE2 3.5Å; R209-E326 PolarHBondContact NH1-OE2 3.33Å; R209-E326 IonicContact NH2-OE1 2.65Å; R209-E326 PolarHBondContact NH2-OE1 3.11Å; R209-E326 IonicContact NH2-OE2 2.74Å
210E96.3Very high94.5Very high37 Ų3730.8 Ų30.817%0.17315%0.151CC..Hα-helixtrans-70.4-41.3179.9-68.9-48.3124.400112.2L140 Y143 S206 F207 C212 Q213L140-E210 HydrophobicContact CD2-CB 3.71Å; L140-E210 HydrophobicContact CG-CB 4.35Å; Y143-E210 HydrophobicContact CD2-CG 4.48Å; Y143-E210 HydrophobicContact CE2-CG 3.86Å; S206-E210 PolarHBondContact O-N 3.47Å; F207-E210 PolarHBondContact O-N 2.84Å; E210-C212 PolarHBondContact O-N 3.13Å; E210-Q213 VanDerWaalsContact CD-NE2 3.31Å; E210-Q213 WeakPolarHBondContact O-CB 3.4Å; E210-Q213 PolarHBondContact O-N 3.34Å; E210-Q213 PolarHBondContact OE1-NE2 3.47Å; E210-Q213 PolarHBondContact OE2-NE2 3.16Å; E210-Q213 VanDerWaalsContact OE2-NE2 3.12Å
211A96.3Very high94.2Very high0 Ų031.5 Ų31.50%015%0.15CC..Hα-helixtrans-65.5-30.918000000112L121 V125 L140 F207 I208 Q213 L214 V217L121-A211 HydrophobicContact CD2-CB 3.53Å; L121-A211 HydrophobicContact CG-CB 3.84Å; V125-A211 HydrophobicContact CG2-CB 3.74Å; L140-A211 HydrophobicContact CD2-CB 3.91Å; F207-A211 HydrophobicContact CD1-CB 4.29Å; F207-A211 HydrophobicContact CE1-CB 4.03Å; F207-A211 WeakPolarHBondContact O-CB 3.24Å; F207-A211 PolarHBondContact O-N 2.65Å; I208-A211 PolarHBondContact O-N 3.35Å; A211-Q213 PolarHBondContact O-N 3.26Å; A211-L214 PolarHBondContact O-N 2.99Å; A211-V217 HydrophobicContact CB-CG1 4.39Å
212C93.9Very high93.9Very high17 Ų1729.9 Ų29.912%0.11514%0.144CC..THydrogen-bonded Turntrans-72.8-8.1174.3-74.60000114.3E103 I208 E210 L241E103-C212 HydrophobicContact CB-CB 4.48Å; I208-C212 WeakPolarHBondContact O-CB 3.23Å; I208-C212 PolarHBondContact O-N 2.9Å; I208-C212 PolarHBondContact O-SG 3.09Å; E210-C212 PolarHBondContact O-N 3.13Å; C212-L241 HydrophobicContact CB-CD1 3.8Å
213Q91.6Very high93.7Very high109 Ų10931.1 Ų31.151%0.50915%0.145SC..THydrogen-bonded Turntrans-85.7-18.1172.6-63.2178.946.400113E210 A211E210-Q213 VanDerWaalsContact CD-NE2 3.31Å; E210-Q213 WeakPolarHBondContact O-CB 3.4Å; E210-Q213 PolarHBondContact O-N 3.34Å; E210-Q213 PolarHBondContact OE1-NE2 3.47Å; E210-Q213 PolarHBondContact OE2-NE2 3.16Å; E210-Q213 VanDerWaalsContact OE2-NE2 3.12Å; A211-Q213 PolarHBondContact O-N 3.26Å
214L92.6Very high93.3Very high3 Ų331.2 Ų31.22%0.01615%0.145CC..SBendtrans-71.1137176.7-63.6175.2000110.3V125 C130 Q133 V136 Y137 L140 A211 D216 V217 P218V125-L214 HydrophobicContact CG2-CD1 4.34Å; C130-L214 HydrophobicContact CB-CD2 4.36Å; Q133-L214 HydrophobicContact CB-CD2 4.42Å; Q133-L214 VanDerWaalsContact OE1-CD2 3.31Å; V136-L214 HydrophobicContact CG1-CD2 4.07Å; Y137-L214 HydrophobicContact CE1-CD1 4.06Å; Y137-L214 HydrophobicContact CE2-CD2 4.48Å; L140-L214 HydrophobicContact CD1-CD1 3.73Å; A211-L214 PolarHBondContact O-N 2.99Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 3.31Å; L214-V217 HydrophobicContact CB-CB 3.98Å; L214-V217 HydrophobicContact CB-CG2 3.72Å; L214-V217 HydrophobicContact CD1-CB 4.46Å; L214-V217 HydrophobicContact CD1-CG2 3.58Å; L214-V217 HydrophobicContact CG-CG2 4.3Å; L214-P218 WeakPolarHBondContact O-CD 3.46Å
215E88.4Confident92.9Very high137 Ų13732.9 Ų32.964%0.6415%0.153SC*.THydrogen-bonded Turntrans-69.4-24-172.7-62.9-175.7169.200114.2V219E215-V219 WeakPolarHBondContact O-CG2 3.2Å
216D89.4Confident92.4Very high34 Ų3437.4 Ų37.418%0.18217%0.173CC..THydrogen-bonded Turntrans-110.7-5.4-173.269.2-12000114.4S128 E129 C130 L214S128-D216 VanDerWaalsContact CA-OD2 3.29Å; S128-D216 WeakPolarHBondContact CA-OD2 3.27Å; S128-D216 WeakPolarHBondContact CB-OD1 3.24Å; S128-D216 VanDerWaalsContact OG-CG 3.23Å; S128-D216 PolarHBondContact OG-OD1 3.47Å; S128-D216 PolarHBondContact OG-OD2 3.46Å; S128-D216 VanDerWaalsContact OG-OD2 3.1Å; E129-D216 PolarHBondContact N-OD2 3.36Å; C130-D216 PolarHBondContact SG-OD1 2.94Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 3.31Å
217V93.1Very high91.6Very high1 Ų140.9 Ų40.91%0.00619%0.189CC..SBendtrans-84.1-59.4-174.8171.20000112.7L121 R124 V125 A211 L214 V219L121-V217 HydrophobicContact CD1-CG1 3.48Å; L121-V217 VanDerWaalsContact CD1-CG1 3.48Å; L121-V217 HydrophobicContact CG-CG1 4.09Å; R124-V217 HydrophobicContact CB-CG1 4.06Å; V125-V217 HydrophobicContact CG2-CG1 3.99Å; V125-V217 HydrophobicContact CG2-CG2 4.1Å; A211-V217 HydrophobicContact CB-CG1 4.39Å; L214-V217 HydrophobicContact CB-CB 3.98Å; L214-V217 HydrophobicContact CB-CG2 3.72Å; L214-V217 HydrophobicContact CD1-CB 4.46Å; L214-V217 HydrophobicContact CD1-CG2 3.58Å; L214-V217 HydrophobicContact CG-CG2 4.3Å; V217-V219 PolarHBondContact O-N 3.17Å
218P93.4Very high90.3Very high7 Ų749.9 Ų49.95%0.04522%0.223CC..SBendtrans-83.743.3179.139.4-37.9000111.2Y101 L214 L241Y101-P218 HydrophobicContact CD1-CB 4.13Å; Y101-P218 HydrophobicContact CD2-CB 4.37Å; Y101-P218 HydrophobicContact CG-CB 3.91Å; L214-P218 WeakPolarHBondContact O-CD 3.46Å; P218-L241 HydrophobicContact CB-CD1 3.63Å; P218-L241 HydrophobicContact CB-CG 3.97Å; P218-L241 HydrophobicContact CG-CD1 3.87Å; P218-L241 HydrophobicContact CG-CG 4.47Å
219V92.1Very high89Confident4 Ų459 Ų592%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-126.2134.7-177.3-172.70000111R124 E215 V217 F221 L239 T240R124-V219 PolarHBondContact NH1-O 3.03Å; R124-V219 VanDerWaalsContact NH1-O 3.1Å; E215-V219 WeakPolarHBondContact O-CG2 3.2Å; V217-V219 PolarHBondContact O-N 3.17Å; V219-F221 HydrophobicContact CB-CE2 4Å; V219-F221 HydrophobicContact CB-CZ 4.04Å; V219-F221 HydrophobicContact CG1-CD1 4.13Å; V219-F221 HydrophobicContact CG1-CD2 4.18Å; V219-F221 HydrophobicContact CG1-CE1 3.74Å; V219-F221 HydrophobicContact CG1-CE2 3.78Å; V219-F221 HydrophobicContact CG1-CG 4.34Å; V219-F221 HydrophobicContact CG1-CZ 3.54Å; V219-L239 VanDerWaalsContact CA-O 3.31Å; V219-L239 WeakPolarHBondContact CA-O 3.33Å; V219-T240 HydrophobicContact CG1-CG2 4.25Å; V219-T240 HydrophobicContact CG2-CG2 3.85Å
220T91.6Very high87.8Confident15 Ų1558 Ų589%0.09226%0.261CS..EExtended strand (participates in β ladder)trans-108.8116.4168.8-61.40000109.2F62 Y222 L239F62-T220 HydrophobicContact CE2-CG2 4.12Å; T220-Y222 HydrophobicContact CG2-CE2 3.69Å; T220-L239 PolarHBondContact N-O 2.84Å; T220-L239 PolarHBondContact O-N 3.48Å
221F89.9Confident86.1Confident61 Ų6164.8 Ų64.827%0.26829%0.293SS..EExtended strand (participates in β ladder)trans-91.1132.6-178.4-66.5-77.7000112.1V219 L237 Y247V219-F221 HydrophobicContact CB-CE2 4Å; V219-F221 HydrophobicContact CB-CZ 4.04Å; V219-F221 HydrophobicContact CG1-CD1 4.13Å; V219-F221 HydrophobicContact CG1-CD2 4.18Å; V219-F221 HydrophobicContact CG1-CE1 3.74Å; V219-F221 HydrophobicContact CG1-CE2 3.78Å; V219-F221 HydrophobicContact CG1-CG 4.34Å; V219-F221 HydrophobicContact CG1-CZ 3.54Å; F221-L237 CarbonylContact C-O 3.51Å; F221-L237 WeakPolarHBondContact CA-O 3.39Å; F221-Y247 HydrophobicContact CE1-CD2 4.16Å; F221-Y247 AromaticContact CE1-CE2 3.78Å; F221-Y247 HydrophobicContact CE1-CE2 3.78Å
222Y89.9Confident84.7Confident31 Ų3172.7 Ų72.712%0.12233%0.327CS..EExtended strand (participates in β ladder)trans-116.9128.3172-65.2-82.8000110.6T220 L236 L237 L239 L301 H304T220-Y222 HydrophobicContact CG2-CE2 3.69Å; Y222-L236 CarbonylContact O-C 3.48Å; Y222-L236 WeakPolarHBondContact O-CA 3.42Å; Y222-L237 PolarHBondContact N-O 3.41Å; Y222-L237 PolarHBondContact O-N 3.49Å; Y222-L239 HydrophobicContact CE2-CB 4.27Å; Y222-L239 HydrophobicContact CE2-CD2 4.44Å; Y222-L301 HydrophobicContact CD1-CD1 3.94Å; Y222-L301 HydrophobicContact CD2-CD1 3.5Å; Y222-L301 VanDerWaalsContact CD2-CD1 3.5Å; Y222-L301 HydrophobicContact CE1-CD1 4.13Å; Y222-L301 HydrophobicContact CE2-CD1 3.69Å; Y222-L301 HydrophobicContact CG-CD1 3.63Å; Y222-H304 AromaticContact CZ-ND1 3.86Å; Y222-H304 PolarHBondContact OH-CE1 3.45Å; Y222-H304 VanDerWaalsContact OH-CE1 3.28Å; Y222-H304 PolarHBondContact OH-ND1 3.33Å
223R89.8Confident83.5Confident79 Ų7972.2 Ų72.230%0.29833%0.325SS..EExtended strand (participates in β ladder)trans-82.8127.5176.3-157.1158.856.998.51.9111.4E59 G233 L236E59-R223 IonicContact OE1-CZ 2.92Å; E59-R223 IonicContact OE1-NE 3.58Å; E59-R223 PolarHBondContact OE1-NE 3.3Å; E59-R223 IonicContact OE1-NH2 2.84Å; E59-R223 PolarHBondContact OE1-NH2 3.13Å; R223-G233 WeakPolarHBondContact CG-O 3.47Å; R223-L236 HydrophobicContact CB-CD2 4.05Å; R223-L236 HydrophobicContact CG-CD2 4.02Å
224L90.2Very high83Confident2 Ų269.1 Ų69.11%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-124.1148.8-176.4-60.1-177.4000110.4G233 T234 A235 L237 F275 Y290 T292 L301L224-G233 CarbonylContact O-C 3.55Å; L224-G233 VanDerWaalsContact O-C 3.24Å; L224-G233 WeakPolarHBondContact O-CA 3.45Å; L224-T234 PolarHBondContact O-N 2.94Å; L224-A235 HydrophobicContact CB-CB 4.18Å; L224-A235 PolarHBondContact N-O 3.35Å; L224-A235 PolarHBondContact O-N 3.02Å; L224-A235 VanDerWaalsContact O-O 3.06Å; L224-L237 HydrophobicContact CD1-CB 3.66Å; L224-L237 HydrophobicContact CD1-CD2 4.38Å; L224-L237 HydrophobicContact CG-CB 4.24Å; L224-F275 HydrophobicContact CD1-CD1 3.91Å; L224-F275 HydrophobicContact CD1-CE1 4.12Å; L224-Y290 HydrophobicContact CD1-CD2 4.39Å; L224-Y290 HydrophobicContact CD1-CG 4.07Å; L224-T292 HydrophobicContact CD2-CG2 3.78Å; L224-L301 HydrophobicContact CD2-CD2 4.07Å
225Q89.4Confident82.9Confident34 Ų3469.2 Ų69.216%0.15932%0.315CS..BIsolated β-bridgetrans-96.9134.4174.9-63.7165.5-12.400108.8E230 E231 Y290 Y291Q225-E230 VanDerWaalsContact CG-O 3.25Å; Q225-E230 WeakPolarHBondContact CG-O 3.33Å; Q225-E230 PolarHBondContact NE2-O 3.33Å; Q225-E230 PolarHBondContact OE1-O 2.85Å; Q225-E231 PolarHBondContact NE2-O 2.78Å; Q225-Y290 CarbonylContact O-C 3.24Å; Q225-Y290 WeakPolarHBondContact O-CA 3.29Å; Q225-Y291 PolarHBondContact N-O 2.86Å; Q225-Y291 PolarHBondContact O-N 3.3Å
226K85Confident83Confident109 Ų10963.4 Ų63.447%0.47429%0.288SS..SBendtrans-78.5-40.2175.3-172.3172.3-177.6170.60110.2E230K226-E230 PolarHBondContact N-OE2 3.3Å; K226-E230 VanDerWaalsContact N-OE2 3.08Å
227D80Confident83.2Confident103 Ų10361.8 Ų61.855%0.55128%0.279SS*.SBendtrans-111.2143.3178.1-72.9-51.5000111.9K229 E230D227-K229 PolarHBondContact O-N 2.87Å; D227-E230 HydrophobicContact CB-CB 4.25Å; D227-E230 VanDerWaalsContact O-CB 3.29Å; D227-E230 WeakPolarHBondContact O-CB 3.36Å; D227-E230 PolarHBondContact O-N 3.24Å
228R71.6Confident83.2Confident192 Ų19261.7 Ų61.773%0.72528%0.279SS*.THydrogen-bonded Turntrans-59.3-23.2179.5-176.8177.9169.4176.8-0.4113.9Y291R228-Y291 HydrophobicContact CB-CD2 4.49Å; R228-Y291 HydrophobicContact CB-CE1 4.29Å; R228-Y291 HydrophobicContact CB-CE2 4.25Å
229K68.6Low83.2Confident192 Ų19261.8 Ų61.884%0.83528%0.279SS*.THydrogen-bonded Turntrans-92.1-7.7-178.5-65.9-174.8179.6-179.60113.2D227 E231D227-K229 PolarHBondContact O-N 2.87Å; K229-E231 PolarHBondContact O-N 3.09Å
230E70.7Confident83.3Confident50 Ų5062.5 Ų62.523%0.23428%0.283CS..  trans-82.2115-173.8-164.1179.9-152.400109.7Q225 K226 D227 K232 T234Q225-E230 VanDerWaalsContact CG-O 3.25Å; Q225-E230 WeakPolarHBondContact CG-O 3.33Å; Q225-E230 PolarHBondContact NE2-O 3.33Å; Q225-E230 PolarHBondContact OE1-O 2.85Å; K226-E230 PolarHBondContact N-OE2 3.3Å; K226-E230 VanDerWaalsContact N-OE2 3.08Å; D227-E230 HydrophobicContact CB-CB 4.25Å; D227-E230 VanDerWaalsContact O-CB 3.29Å; D227-E230 WeakPolarHBondContact O-CB 3.36Å; D227-E230 PolarHBondContact O-N 3.24Å; E230-K232 VanDerWaalsContact CG-O 3.28Å; E230-K232 WeakPolarHBondContact CG-O 3.42Å; E230-T234 VanDerWaalsContact CD-OG1 3.23Å; E230-T234 WeakPolarHBondContact OE1-CB 3.44Å; E230-T234 WeakPolarHBondContact OE1-CG2 3.46Å; E230-T234 PolarHBondContact OE1-OG1 3.32Å; E230-T234 PolarHBondContact OE2-OG1 3.28Å; E230-T234 VanDerWaalsContact OE2-OG1 3.06Å
231E61.2Low83.2Confident180 Ų18063.2 Ų63.284%0.84129%0.287SS*.SBendtrans-74.7-36.9179.7-76.7-166.3152.500112.4Q225 K229Q225-E231 PolarHBondContact NE2-O 2.78Å; K229-E231 PolarHBondContact O-N 3.09Å
232K65.7Low83.1Confident167 Ų16768 Ų6873%0.72630%0.303SS*.SBendtrans-95.3109.4177.5-65.9-174.8-179.8-177.70109E230 T234E230-K232 VanDerWaalsContact CG-O 3.28Å; E230-K232 WeakPolarHBondContact CG-O 3.42Å; K232-T234 PolarHBondContact O-N 3.36Å
233G69.1Low83.3Confident6 Ų666.5 Ų66.56%0.06230%0.297CS..  trans-58.5123.6175.600000111.1R223 L224R223-G233 WeakPolarHBondContact CG-O 3.47Å; L224-G233 CarbonylContact O-C 3.55Å; L224-G233 VanDerWaalsContact O-C 3.24Å; L224-G233 WeakPolarHBondContact O-CA 3.45Å
234T82Confident83.5Confident44 Ų4462.7 Ų62.727%0.2728%0.283SS..  trans-99-6.5-179.845.80000113.4L224 E230 K232 E249L224-T234 PolarHBondContact O-N 2.94Å; E230-T234 VanDerWaalsContact CD-OG1 3.23Å; E230-T234 WeakPolarHBondContact OE1-CB 3.44Å; E230-T234 WeakPolarHBondContact OE1-CG2 3.46Å; E230-T234 PolarHBondContact OE1-OG1 3.32Å; E230-T234 PolarHBondContact OE2-OG1 3.28Å; E230-T234 VanDerWaalsContact OE2-OG1 3.06Å; K232-T234 PolarHBondContact O-N 3.36Å; T234-E249 PolarHBondContact O-N 2.96Å
235A89.2Confident83.6Confident6 Ų664.3 Ų64.35%0.0529%0.29CS..EExtended strand (participates in β ladder)trans-107.6144.8173.600000110.1L224 Y247 Y290L224-A235 HydrophobicContact CB-CB 4.18Å; L224-A235 PolarHBondContact N-O 3.35Å; L224-A235 PolarHBondContact O-N 3.02Å; L224-A235 VanDerWaalsContact O-O 3.06Å; A235-Y247 CarbonylContact C-O 3.53Å; A235-Y247 WeakPolarHBondContact CA-O 3.16Å; A235-Y290 HydrophobicContact CB-CD1 3.95Å; A235-Y290 HydrophobicContact CB-CE1 3.79Å
236L91.3Very high83.8Confident14 Ų1462.7 Ų62.77%0.07328%0.282CS..EExtended strand (participates in β ladder)trans-120.9128.8173.7-70.4167.2000108.7Y222 R223 V246 Y247 R254Y222-L236 CarbonylContact O-C 3.48Å; Y222-L236 WeakPolarHBondContact O-CA 3.42Å; R223-L236 HydrophobicContact CB-CD2 4.05Å; R223-L236 HydrophobicContact CG-CD2 4.02Å; L236-V246 CarbonylContact O-C 3.55Å; L236-V246 WeakPolarHBondContact O-CA 3.4Å; L236-Y247 PolarHBondContact N-O 2.98Å; L236-Y247 PolarHBondContact O-N 2.84Å; L236-R254 HydrophobicContact CD1-CG 4.07Å
237L93.2Very high84.1Confident0 Ų058.5 Ų58.50%026%0.264CS..EExtended strand (participates in β ladder)trans-99.6110.9170.117976.6000108.4F221 Y222 L224 M244 Q245 V246 F275 I277 L301 L305F221-L237 CarbonylContact C-O 3.51Å; F221-L237 WeakPolarHBondContact CA-O 3.39Å; Y222-L237 PolarHBondContact N-O 3.41Å; Y222-L237 PolarHBondContact O-N 3.49Å; L224-L237 HydrophobicContact CD1-CB 3.66Å; L224-L237 HydrophobicContact CD1-CD2 4.38Å; L224-L237 HydrophobicContact CG-CB 4.24Å; L237-M244 HydrophobicContact CD1-CB 4.03Å; L237-M244 HydrophobicContact CD1-SD 4.35Å; L237-Q245 CarbonylContact C-O 3.54Å; L237-Q245 WeakPolarHBondContact CA-O 3.5Å; L237-V246 HydrophobicContact CD1-CG2 3.8Å; L237-F275 HydrophobicContact CD2-CE1 3.85Å; L237-F275 HydrophobicContact CD2-CZ 4.25Å; L237-I277 HydrophobicContact CD1-CD1 4.45Å; L237-L301 HydrophobicContact CD2-CD1 3.98Å; L237-L301 HydrophobicContact CD2-CD2 3.94Å; L237-L301 HydrophobicContact CD2-CG 4.42Å; L237-L305 HydrophobicContact CD2-CD1 4.22Å; L237-L305 HydrophobicContact CD2-CD2 4.45Å
238G93.8Very high84.6Confident0 Ų056.6 Ų56.60%025%0.251CS..EExtended strand (participates in β ladder)trans-84.8117.1168.600000110.1M244 Q245G238-M244 CarbonylContact O-C 3.6Å; G238-M244 WeakPolarHBondContact O-CA 3.25Å; G238-Q245 PolarHBondContact N-O 2.85Å; G238-Q245 PolarHBondContact O-N 2.89Å
239L94.2Very high85.2Confident8 Ų850.6 Ų50.64%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-88.2120.6167.1173.859.7000108.6V219 T220 Y222 M244 W262 L305 S308V219-L239 VanDerWaalsContact CA-O 3.31Å; V219-L239 WeakPolarHBondContact CA-O 3.33Å; T220-L239 PolarHBondContact N-O 2.84Å; T220-L239 PolarHBondContact O-N 3.48Å; Y222-L239 HydrophobicContact CE2-CB 4.27Å; Y222-L239 HydrophobicContact CE2-CD2 4.44Å; L239-M244 HydrophobicContact CD1-CG 4.48Å; L239-W262 HydrophobicContact CD1-CH2 3.7Å; L239-W262 HydrophobicContact CD1-CZ2 3.52Å; L239-L305 HydrophobicContact CB-CD2 4.45Å; L239-L305 HydrophobicContact CD1-CD2 3.67Å; L239-L305 HydrophobicContact CD2-CD2 4.25Å; L239-L305 HydrophobicContact CG-CD2 4.33Å; L239-S308 WeakPolarHBondContact CD2-OG 3.24Å
240T92.9Very high85.8Confident19 Ų1944.5 Ų44.512%0.11721%0.21CC..EExtended strand (participates in β ladder)trans-117.9170.8-174.576.40000111.6V219 R242 G243 Q245V219-T240 HydrophobicContact CG1-CG2 4.25Å; V219-T240 HydrophobicContact CG2-CG2 3.85Å; T240-R242 PolarHBondContact O-N 3.44Å; T240-R242 PolarHBondContact OG1-N 3.4Å; T240-G243 WeakPolarHBondContact CA-O 3.35Å; T240-G243 PolarHBondContact N-O 3.24Å; T240-G243 PolarHBondContact OG1-N 3.46Å; T240-G243 VanDerWaalsContact OG1-N 3.09Å; T240-G243 PolarHBondContact OG1-O 3.38Å; T240-Q245 HydrophobicContact CG2-CG 4.14Å; T240-Q245 VanDerWaalsContact CG2-OE1 3.28Å
241L89.6Confident86.2Confident31 Ų3149.1 Ų49.116%0.16224%0.237CC..THydrogen-bonded Turntrans-52.3-35.3169.2-76.7165.5000114.2Y101 E103 C212 P218 Y312Y101-L241 WeakPolarHBondContact O-CD2 3.37Å; E103-L241 HydrophobicContact CB-CD1 4.37Å; C212-L241 HydrophobicContact CB-CD1 3.8Å; P218-L241 HydrophobicContact CB-CD1 3.63Å; P218-L241 HydrophobicContact CB-CG 3.97Å; P218-L241 HydrophobicContact CG-CD1 3.87Å; P218-L241 HydrophobicContact CG-CG 4.47Å; L241-Y312 WeakPolarHBondContact O-CD2 3.35Å
242R88.8Confident86.9Confident160 Ų16047.7 Ų47.760%0.60424%0.235SC*.THydrogen-bonded Turntrans-106.4-4.7-168-61.2-179.9-173.8-83.5-14.4113.3E103 T240 P261 W262E103-R242 IonicContact OE2-CZ 2.63Å; E103-R242 IonicContact OE2-NH2 3.71Å; E103-R242 PolarHBondContact OE2-NH2 3.1Å; T240-R242 PolarHBondContact O-N 3.44Å; T240-R242 PolarHBondContact OG1-N 3.4Å; R242-P261 CarbonylContact O-C 3.56Å; R242-P261 WeakPolarHBondContact O-CA 3.34Å; R242-W262 PolarHBondContact O-N 3.34Å
243G92.6Very high87.5Confident0 Ų045.4 Ų45.40%023%0.229CC..EExtended strand (participates in β ladder)trans153.5-151.6-174.200000113T240 F260 W262T240-G243 WeakPolarHBondContact CA-O 3.35Å; T240-G243 PolarHBondContact N-O 3.24Å; T240-G243 PolarHBondContact OG1-N 3.46Å; T240-G243 VanDerWaalsContact OG1-N 3.09Å; T240-G243 PolarHBondContact OG1-O 3.38Å; G243-F260 CarbonylContact C-O 3.6Å; G243-F260 VanDerWaalsContact CA-O 3.25Å; G243-F260 WeakPolarHBondContact CA-O 3.26Å; G243-W262 VanDerWaalsContact N-CD1 3.29Å; G243-W262 VanDerWaalsContact N-NE1 3.19Å
244M94.1Very high88.3Confident0 Ų050.9 Ų50.90%025%0.248CC..EExtended strand (participates in β ladder)trans-118.2148.4177.3-52.8178.1-72.300111.4L237 G238 L239 F260 W262 V265 L268 I277 L305L237-M244 HydrophobicContact CD1-CB 4.03Å; L237-M244 HydrophobicContact CD1-SD 4.35Å; G238-M244 CarbonylContact O-C 3.6Å; G238-M244 WeakPolarHBondContact O-CA 3.25Å; L239-M244 HydrophobicContact CD1-CG 4.48Å; M244-F260 HydrophobicContact CB-CB 4.42Å; M244-F260 HydrophobicContact CE-CB 4.36Å; M244-F260 PolarHBondContact N-O 3.12Å; M244-F260 WeakPolarHBondContact O-CA 3.28Å; M244-F260 WeakPolarHBondContact O-CB 3.33Å; M244-F260 PolarHBondContact O-N 2.89Å; M244-W262 HydrophobicContact CG-CH2 4.14Å; M244-W262 HydrophobicContact CG-CZ3 4.26Å; M244-V265 HydrophobicContact CE-CB 4.44Å; M244-V265 HydrophobicContact CE-CG1 3.86Å; M244-V265 HydrophobicContact CE-CG2 3.62Å; M244-L268 HydrophobicContact CE-CD1 4.16Å; M244-L268 HydrophobicContact CE-CD2 3.61Å; M244-L268 HydrophobicContact CE-CG 4.45Å; M244-L268 HydrophobicContact SD-CD1 4.19Å; M244-L268 HydrophobicContact SD-CD2 4.34Å; M244-I277 HydrophobicContact CE-CG2 4.48Å; M244-L305 HydrophobicContact CG-CD2 3.92Å; M244-L305 HydrophobicContact SD-CD1 3.88Å; M244-L305 HydrophobicContact SD-CD2 3.6Å; M244-L305 VanDerWaalsContact SD-CD2 3.6Å; M244-L305 HydrophobicContact SD-CG 4.31Å
245Q93.6Very high88.6Confident35 Ų3554.2 Ų54.216%0.16426%0.261CS..EExtended strand (participates in β ladder)trans-127.7135.1175.8-72.3170.1-24.600108.9L237 G238 T240 Y247 L256 Y258 N259L237-Q245 CarbonylContact C-O 3.54Å; L237-Q245 WeakPolarHBondContact CA-O 3.5Å; G238-Q245 PolarHBondContact N-O 2.85Å; G238-Q245 PolarHBondContact O-N 2.89Å; T240-Q245 HydrophobicContact CG2-CG 4.14Å; T240-Q245 VanDerWaalsContact CG2-OE1 3.28Å; Q245-Y247 HydrophobicContact CB-CD2 4.34Å; Q245-Y247 HydrophobicContact CB-CE2 3.52Å; Q245-Y247 PolarHBondContact OE1-OH 2.9Å; Q245-L256 HydrophobicContact CB-CD1 3.76Å; Q245-L256 HydrophobicContact CG-CD1 4.09Å; Q245-Y258 CarbonylContact C-O 3.55Å; Q245-Y258 WeakPolarHBondContact CA-O 3.48Å; Q245-N259 HydrophobicContact CG-CB 4.49Å; Q245-N259 WeakPolarHBondContact CG-OD1 3.42Å
246V92.6Very high88.7Confident0 Ų057.9 Ų57.90%028%0.279CS..EExtended strand (participates in β ladder)trans-110.4124176.7-178.20000108.5L236 L237 L257 Y258 F260 I277 Y290L236-V246 CarbonylContact O-C 3.55Å; L236-V246 WeakPolarHBondContact O-CA 3.4Å; L237-V246 HydrophobicContact CD1-CG2 3.8Å; V246-L257 WeakPolarHBondContact O-CA 3.33Å; V246-L257 WeakPolarHBondContact O-CB 3.43Å; V246-L257 PolarHBondContact O-N 3.49Å; V246-Y258 HydrophobicContact CB-CD2 4.14Å; V246-Y258 HydrophobicContact CG1-CD2 4.34Å; V246-Y258 PolarHBondContact N-O 3.36Å; V246-Y258 PolarHBondContact O-N 3.47Å; V246-Y258 VanDerWaalsContact O-N 3.1Å; V246-F260 HydrophobicContact CG2-CD2 4.35Å; V246-F260 HydrophobicContact CG2-CE2 4Å; V246-I277 HydrophobicContact CG2-CD1 4.14Å; V246-Y290 HydrophobicContact CG1-CE1 4.48Å; V246-Y290 HydrophobicContact CG1-CE2 4.23Å; V246-Y290 WeakPolarHBondContact CG1-OH 3.34Å
247Y91.9Very high88.6Confident22 Ų2260.2 Ų60.29%0.08629%0.291CS..EExtended strand (participates in β ladder)trans-113.4150.8178.3-55.8-100.6000110.5F221 A235 L236 Q245 R254 Q255 L256F221-Y247 HydrophobicContact CE1-CD2 4.16Å; F221-Y247 AromaticContact CE1-CE2 3.78Å; F221-Y247 HydrophobicContact CE1-CE2 3.78Å; A235-Y247 CarbonylContact C-O 3.53Å; A235-Y247 WeakPolarHBondContact CA-O 3.16Å; L236-Y247 PolarHBondContact N-O 2.98Å; L236-Y247 PolarHBondContact O-N 2.84Å; Q245-Y247 HydrophobicContact CB-CD2 4.34Å; Q245-Y247 HydrophobicContact CB-CE2 3.52Å; Q245-Y247 PolarHBondContact OE1-OH 2.9Å; Y247-R254 HydrophobicContact CD1-CB 4.15Å; Y247-Q255 CarbonylContact C-O 3.53Å; Y247-Q255 WeakPolarHBondContact CA-O 3.29Å; Y247-L256 HydrophobicContact CD1-CB 3.93Å; Y247-L256 HydrophobicContact CD1-CD1 4.06Å; Y247-L256 HydrophobicContact CE1-CB 3.85Å; Y247-L256 HydrophobicContact CE1-CD1 3.74Å; Y247-L256 HydrophobicContact CE1-CG 4.36Å; Y247-L256 HydrophobicContact CE2-CD1 4.23Å; Y247-L256 HydrophobicContact CG-CD1 4.44Å
248Q89.8Confident88.4Confident62 Ų6264.4 Ų64.429%0.2931%0.308SS..EExtended strand (participates in β ladder)trans-105.3132164.4-167.7169.29.200109.2V250 Q255 L257Q248-V250 HydrophobicContact CG-CG2 3.87Å; Q248-Q255 PolarHBondContact N-O 2.97Å; Q248-Q255 PolarHBondContact O-N 3.46Å; Q248-L257 HydrophobicContact CB-CD1 3.69Å; Q248-L257 HydrophobicContact CB-CD2 4.13Å; Q248-L257 HydrophobicContact CB-CG 3.83Å
249E84.4Confident88.3Confident67 Ų6768.8 Ų68.831%0.31333%0.331SS..EExtended strand (participates in β ladder)trans-92.5110.2175.2-167.7165.4-134.900108.9T234T234-E249 PolarHBondContact O-N 2.96Å
250V81.6Confident88.2Confident63 Ų6369.2 Ų69.238%0.38233%0.332SS..EExtended strand (participates in β ladder)trans-124.1121177.7-174.40000107.7Q248 N252 I253Q248-V250 HydrophobicContact CG-CG2 3.87Å; V250-N252 VanDerWaalsContact C-N 3.26Å; V250-N252 PolarHBondContact O-N 3.27Å; V250-I253 PolarHBondContact N-O 3.46Å; V250-I253 WeakPolarHBondContact O-CB 3.19Å; V250-I253 PolarHBondContact O-N 3.08Å
251N78.9Confident88.1Confident148 Ų14870.3 Ų70.379%0.79134%0.34SS*.THydrogen-bonded Turntrans53.837.5-178.3-57.5-30.9000114.1I253N251-I253 PolarHBondContact O-N 3.41Å
252N74.9Confident88.2Confident149 Ų14969.1 Ų69.180%0.79733%0.333SS*.THydrogen-bonded Turntrans62.715.3-173.6-49.8-54.6000114.8V250V250-N252 VanDerWaalsContact C-N 3.26Å; V250-N252 PolarHBondContact O-N 3.27Å
253I80Confident88.1Confident119 Ų11965.4 Ų65.461%0.6133%0.332SS*.EExtended strand (participates in β ladder)trans-103.4130.5171.6-57.4175.7000107.7V250 N251V250-I253 PolarHBondContact N-O 3.46Å; V250-I253 WeakPolarHBondContact O-CB 3.19Å; V250-I253 PolarHBondContact O-N 3.08Å; N251-I253 PolarHBondContact O-N 3.41Å
254R85.8Confident87.8Confident121 Ų12169.4 Ų69.446%0.45735%0.353SS..EExtended strand (participates in β ladder)trans-84.4114.8176-62.2177.6-174.2161.15.3108.9L236 Y247L236-R254 HydrophobicContact CD1-CG 4.07Å; Y247-R254 HydrophobicContact CD1-CB 4.15Å
255Q87.4Confident87.4Confident115 Ų11570.7 Ų70.754%0.53736%0.361SS..EExtended strand (participates in β ladder)trans-104.6119.5173.2-173.5174.99.200109.3Y247 Q248 L257Y247-Q255 CarbonylContact C-O 3.53Å; Y247-Q255 WeakPolarHBondContact CA-O 3.29Å; Q248-Q255 PolarHBondContact N-O 2.97Å; Q248-Q255 PolarHBondContact O-N 3.46Å; Q255-L257 PolarHBondContact O-N 2.94Å
256L90.5Very high86.9Confident83 Ų8371 Ų7144%0.43537%0.373SS..EExtended strand (participates in β ladder)trans-66.1120.9174.7-178.566.1000109.3Q245 Y247 Y258Q245-L256 HydrophobicContact CB-CD1 3.76Å; Q245-L256 HydrophobicContact CG-CD1 4.09Å; Y247-L256 HydrophobicContact CD1-CB 3.93Å; Y247-L256 HydrophobicContact CD1-CD1 4.06Å; Y247-L256 HydrophobicContact CE1-CB 3.85Å; Y247-L256 HydrophobicContact CE1-CD1 3.74Å; Y247-L256 HydrophobicContact CE1-CG 4.36Å; Y247-L256 HydrophobicContact CE2-CD1 4.23Å; Y247-L256 HydrophobicContact CG-CD1 4.44Å; L256-Y258 WeakPolarHBondContact CD1-O 3.41Å
257L89.2Confident86.6Confident63 Ų6377 Ų7733%0.3340%0.396SS..EExtended strand (participates in β ladder)trans-97.7-44.4176-66.1-172.5000111.9V246 Q248 Q255V246-L257 WeakPolarHBondContact O-CA 3.33Å; V246-L257 WeakPolarHBondContact O-CB 3.43Å; V246-L257 PolarHBondContact O-N 3.49Å; Q248-L257 HydrophobicContact CB-CD1 3.69Å; Q248-L257 HydrophobicContact CB-CD2 4.13Å; Q248-L257 HydrophobicContact CB-CG 3.83Å; Q255-L257 PolarHBondContact O-N 2.94Å
258Y89.5Confident86.6Confident88 Ų8877.8 Ų77.835%0.34540%0.402SS..EExtended strand (participates in β ladder)trans-140.8140.9-175-55.3-76.1000111Q245 V246 L256 F260 L288Q245-Y258 CarbonylContact C-O 3.55Å; Q245-Y258 WeakPolarHBondContact CA-O 3.48Å; V246-Y258 HydrophobicContact CB-CD2 4.14Å; V246-Y258 HydrophobicContact CG1-CD2 4.34Å; V246-Y258 PolarHBondContact N-O 3.36Å; V246-Y258 PolarHBondContact O-N 3.47Å; V246-Y258 VanDerWaalsContact O-N 3.1Å; L256-Y258 WeakPolarHBondContact CD1-O 3.41Å; Y258-F260 VanDerWaalsContact CB-CE2 3.4Å; Y258-F260 HydrophobicContact CD1-CZ 4.4Å; Y258-F260 HydrophobicContact CG-CE2 4.17Å; Y258-F260 HydrophobicContact CG-CZ 4.07Å; Y258-L288 HydrophobicContact CD1-CD1 4.44Å; Y258-L288 HydrophobicContact CD2-CD1 3.71Å; Y258-L288 HydrophobicContact CE2-CD1 3.88Å; Y258-L288 HydrophobicContact CE2-CD2 3.88Å; Y258-L288 HydrophobicContact CG-CD1 4.01Å
259N91.8Very high86.6Confident91 Ų9177.5 Ų77.549%0.48740%0.404SS..EExtended strand (participates in β ladder)trans-120.7122.6171.9-17624000108.8Q245 P261Q245-N259 HydrophobicContact CG-CB 4.49Å; Q245-N259 WeakPolarHBondContact CG-OD1 3.42Å; N259-P261 WeakPolarHBondContact O-CD 3.26Å
260F91.4Very high86.9Confident17 Ų1776 Ų768%0.07540%0.397CS..EExtended strand (participates in β ladder)trans-11988.2-178.8-62.2-69.7000109.3G243 M244 V246 Y258 V265 I277 P279 L288G243-F260 CarbonylContact C-O 3.6Å; G243-F260 VanDerWaalsContact CA-O 3.25Å; G243-F260 WeakPolarHBondContact CA-O 3.26Å; M244-F260 HydrophobicContact CB-CB 4.42Å; M244-F260 HydrophobicContact CE-CB 4.36Å; M244-F260 PolarHBondContact N-O 3.12Å; M244-F260 WeakPolarHBondContact O-CA 3.28Å; M244-F260 WeakPolarHBondContact O-CB 3.33Å; M244-F260 PolarHBondContact O-N 2.89Å; V246-F260 HydrophobicContact CG2-CD2 4.35Å; V246-F260 HydrophobicContact CG2-CE2 4Å; Y258-F260 VanDerWaalsContact CB-CE2 3.4Å; Y258-F260 HydrophobicContact CD1-CZ 4.4Å; Y258-F260 HydrophobicContact CG-CE2 4.17Å; Y258-F260 HydrophobicContact CG-CZ 4.07Å; F260-V265 HydrophobicContact CB-CG2 4.07Å; F260-I277 HydrophobicContact CE2-CG2 4.31Å; F260-I277 HydrophobicContact CZ-CG2 4.4Å; F260-P279 HydrophobicContact CE1-CB 4.06Å; F260-P279 HydrophobicContact CE1-CG 3.75Å; F260-P279 HydrophobicContact CZ-CG 4.4Å; F260-L288 HydrophobicContact CE2-CD1 3.84Å; F260-L288 HydrophobicContact CZ-CD1 3.53Å
261P92.1Very high87.2Confident42 Ų4279.2 Ų79.227%0.27341%0.411SS..EExtended strand (participates in β ladder)trans-53.8147.5167.4-22.232.6000110.4R242 N259 S263 N264 V265R242-P261 CarbonylContact O-C 3.56Å; R242-P261 WeakPolarHBondContact O-CA 3.34Å; N259-P261 WeakPolarHBondContact O-CD 3.26Å; P261-S263 PolarHBondContact O-N 2.88Å; P261-S263 VanDerWaalsContact O-N 3.11Å; P261-N264 WeakPolarHBondContact O-CA 3.35Å; P261-N264 PolarHBondContact O-N 3.37Å; P261-V265 PolarHBondContact O-N 2.98Å
262W91.4Very high87.7Confident7 Ų774.4 Ų74.43%0.02740%0.397CS..G310 helixtrans-53.1-35.7-179.9-73.8126.3000112.9L239 R242 G243 M244 N264 V265 L305 H309 Y312L239-W262 HydrophobicContact CD1-CH2 3.7Å; L239-W262 HydrophobicContact CD1-CZ2 3.52Å; R242-W262 PolarHBondContact O-N 3.34Å; G243-W262 VanDerWaalsContact N-CD1 3.29Å; G243-W262 VanDerWaalsContact N-NE1 3.19Å; M244-W262 HydrophobicContact CG-CH2 4.14Å; M244-W262 HydrophobicContact CG-CZ3 4.26Å; W262-N264 PolarHBondContact O-N 3.37Å; W262-N264 VanDerWaalsContact O-N 3.17Å; W262-V265 HydrophobicContact CE3-CG2 4.03Å; W262-V265 HydrophobicContact CZ3-CG2 4.46Å; W262-V265 PolarHBondContact O-N 3.05Å; W262-L305 HydrophobicContact CH2-CD2 4.43Å; W262-H309 HydrophobicContact CD2-CB 4.28Å; W262-H309 AromaticContact CD2-CD2 3.74Å; W262-H309 HydrophobicContact CE3-CB 3.82Å; W262-H309 AromaticContact CE3-CD2 3.58Å; W262-H309 AromaticContact CE3-CG 3.82Å; W262-H309 AromaticContact CG-CD2 3.89Å; W262-H309 HydrophobicContact CH2-CB 4.15Å; W262-H309 HydrophobicContact CZ3-CB 3.75Å; W262-Y312 HydrophobicContact CB-CD1 3.7Å; W262-Y312 HydrophobicContact CB-CE1 3.6Å; W262-Y312 HydrophobicContact CB-CG 4.29Å; W262-Y312 AromaticContact CD1-CD1 3.6Å; W262-Y312 AromaticContact CD1-CD2 3.41Å; W262-Y312 VanDerWaalsContact CD1-CD2 3.41Å; W262-Y312 AromaticContact CD1-CE2 3.85Å; W262-Y312 AromaticContact CD1-CG 3.26Å; W262-Y312 AromaticContact CG-CD1 3.79Å; W262-Y312 HydrophobicContact CG-CD1 3.79Å; W262-Y312 HydrophobicContact CG-CD2 4.36Å; W262-Y312 HydrophobicContact CG-CE1 4.13Å; W262-Y312 AromaticContact CG-CG 3.91Å; W262-Y312 HydrophobicContact CG-CG 3.91Å; W262-Y312 AromaticContact NE1-CG 3.87Å
263S87.4Confident88.5Confident82 Ų8272.4 Ų72.457%0.57338%0.381SS*.G310 helixtrans-61.6-19.917559.10000114.9P261P261-S263 PolarHBondContact O-N 2.88Å; P261-S263 VanDerWaalsContact O-N 3.11Å
264N86.3Confident89Confident84 Ų8469.3 Ų69.345%0.44936%0.363SS..G310 helixtrans-112.95-174.5-60.514.8000111.8P261 W262 G266 D280P261-N264 WeakPolarHBondContact O-CA 3.35Å; P261-N264 PolarHBondContact O-N 3.37Å; W262-N264 PolarHBondContact O-N 3.37Å; W262-N264 VanDerWaalsContact O-N 3.17Å; N264-G266 PolarHBondContact O-N 3.28Å; N264-D280 PolarHBondContact O-N 2.95Å
265V85.3Confident89.3Confident27 Ų2763.5 Ų63.516%0.16434%0.341CS..EExtended strand (participates in β ladder)trans-82.7104175.5178.50000108.1M244 F260 P261 W262 L268M244-V265 HydrophobicContact CE-CB 4.44Å; M244-V265 HydrophobicContact CE-CG1 3.86Å; M244-V265 HydrophobicContact CE-CG2 3.62Å; F260-V265 HydrophobicContact CB-CG2 4.07Å; P261-V265 PolarHBondContact O-N 2.98Å; W262-V265 HydrophobicContact CE3-CG2 4.03Å; W262-V265 HydrophobicContact CZ3-CG2 4.46Å; W262-V265 PolarHBondContact O-N 3.05Å; V265-L268 HydrophobicContact CG1-CD1 4.22Å; V265-L268 HydrophobicContact CG1-CD2 3.96Å; V265-L268 HydrophobicContact CG1-CG 3.93Å
266G83.3Confident89.5Confident41 Ų4159.4 Ų59.442%0.42332%0.322SS..EExtended strand (participates in β ladder)trans-78-66.5-179.400000112.5N264 Q278N264-G266 PolarHBondContact O-N 3.28Å; G266-Q278 WeakPolarHBondContact CA-O 3.31Å; G266-Q278 PolarHBondContact N-O 3.35Å
267R86.8Confident89.5Confident125 Ų12555.5 Ų55.547%0.47230%0.302SS..EExtended strand (participates in β ladder)trans-142.7132.9-179.6-169.5-178.4-61.2-173.61.1112.3Q278R267-Q278 HydrophobicContact CB-CB 4.11Å; R267-Q278 PolarHBondContact N-O 2.6Å; R267-Q278 PolarHBondContact O-N 2.75Å
268L90.6Very high89.5Confident39 Ų3954.5 Ų54.520%0.20430%0.295CS..EExtended strand (participates in β ladder)trans-106.3128.1169.6-56.1-179.6000108.5M244 V265 F275 I277 L305M244-L268 HydrophobicContact CE-CD1 4.16Å; M244-L268 HydrophobicContact CE-CD2 3.61Å; M244-L268 HydrophobicContact CE-CG 4.45Å; M244-L268 HydrophobicContact SD-CD1 4.19Å; M244-L268 HydrophobicContact SD-CD2 4.34Å; V265-L268 HydrophobicContact CG1-CD1 4.22Å; V265-L268 HydrophobicContact CG1-CD2 3.96Å; V265-L268 HydrophobicContact CG1-CG 3.93Å; L268-F275 HydrophobicContact CB-CE2 4.37Å; L268-F275 HydrophobicContact CD2-CE2 4.16Å; L268-F275 HydrophobicContact CD2-CZ 4.29Å; L268-I277 HydrophobicContact CD2-CB 4.36Å; L268-I277 HydrophobicContact CD2-CG1 4.16Å; L268-I277 HydrophobicContact CD2-CG2 4Å; L268-L305 HydrophobicContact CD1-CB 4.02Å; L268-L305 HydrophobicContact CD1-CD1 3.89Å
269T89.8Confident89.1Confident56 Ų5651.3 Ų51.334%0.34429%0.285SS..EExtended strand (participates in β ladder)trans-130.5130.6-178.6-57.90000110.5E276T269-E276 PolarHBondContact N-O 2.92Å; T269-E276 PolarHBondContact O-N 3.33Å
270F90.7Very high88.6Confident36 Ų3652.1 Ų52.116%0.15829%0.289CS..EExtended strand (participates in β ladder)trans-116.3123.4174.9-73.4-96.6000110.2K274 F275 T292 S298 L301 L302 L305F270-K274 CarbonylContact C-O 3.58Å; F270-K274 VanDerWaalsContact CA-O 3.3Å; F270-K274 WeakPolarHBondContact CA-O 3.32Å; F270-F275 HydrophobicContact CD1-CB 3.95Å; F270-F275 AromaticContact CD1-CD2 3.94Å; F270-F275 HydrophobicContact CD1-CD2 3.94Å; F270-F275 HydrophobicContact CD1-CG 4.27Å; F270-F275 AromaticContact CD2-CD2 3.88Å; F270-F275 HydrophobicContact CD2-CD2 3.88Å; F270-F275 HydrophobicContact CD2-CE2 4.29Å; F270-F275 HydrophobicContact CE1-CB 3.64Å; F270-F275 AromaticContact CE1-CD2 3.38Å; F270-F275 HydrophobicContact CE1-CD2 3.38Å; F270-F275 HydrophobicContact CE1-CE2 4.13Å; F270-F275 AromaticContact CE1-CG 3.61Å; F270-F275 HydrophobicContact CE1-CG 3.61Å; F270-F275 AromaticContact CE2-CD2 3.29Å; F270-F275 HydrophobicContact CE2-CD2 3.29Å; F270-F275 AromaticContact CE2-CE2 3.39Å; F270-F275 HydrophobicContact CE2-CE2 3.39Å; F270-F275 HydrophobicContact CE2-CG 4.33Å; F270-F275 HydrophobicContact CE2-CZ 4.48Å; F270-F275 HydrophobicContact CG-CD2 4.21Å; F270-F275 HydrophobicContact CZ-CB 4.22Å; F270-F275 HydrophobicContact CZ-CD1 4.44Å; F270-F275 AromaticContact CZ-CD2 3.04Å; F270-F275 HydrophobicContact CZ-CD2 3.04Å; F270-F275 AromaticContact CZ-CE2 3.32Å; F270-F275 HydrophobicContact CZ-CE2 3.32Å; F270-F275 AromaticContact CZ-CG 3.67Å; F270-F275 HydrophobicContact CZ-CG 3.67Å; F270-F275 HydrophobicContact CZ-CZ 4.14Å; F270-T292 HydrophobicContact CE1-CG2 4.22Å; F270-S298 VanDerWaalsContact CD1-CB 3.46Å; F270-S298 WeakPolarHBondContact CE1-O 3.5Å; F270-L301 HydrophobicContact CE1-CB 4.3Å; F270-L301 HydrophobicContact CE1-CD2 4.14Å; F270-L301 HydrophobicContact CE1-CG 4.36Å; F270-L301 HydrophobicContact CZ-CB 4.14Å; F270-L301 HydrophobicContact CZ-CD2 3.96Å; F270-L301 HydrophobicContact CZ-CG 3.9Å; F270-L302 HydrophobicContact CB-CD2 4.39Å; F270-L302 HydrophobicContact CD2-CB 3.56Å; F270-L302 HydrophobicContact CD2-CD1 3.68Å; F270-L302 HydrophobicContact CD2-CD2 3.83Å; F270-L302 HydrophobicContact CD2-CG 3.86Å; F270-L302 HydrophobicContact CE2-CB 3.48Å; F270-L302 VanDerWaalsContact CE2-CB 3.48Å; F270-L302 HydrophobicContact CE2-CD1 3.67Å; F270-L302 HydrophobicContact CE2-CG 4.04Å; F270-L302 HydrophobicContact CG-CB 4.18Å; F270-L302 HydrophobicContact CG-CD2 4.39Å; F270-L302 HydrophobicContact CZ-CB 4.05Å; F270-L305 HydrophobicContact CZ-CD1 4.47Å
271L89.1Confident87.7Confident130 Ų13054.8 Ų54.868%0.68132%0.322SS*.EExtended strand (participates in β ladder)trans-123.495.2175.8-170.971.6000109.6K273 K274L271-K273 PolarHBondContact O-N 3.22Å; L271-K274 HydrophobicContact CB-CB 4.4Å; L271-K274 PolarHBondContact N-O 2.96Å; L271-K274 WeakPolarHBondContact O-CB 3.33Å; L271-K274 PolarHBondContact O-N 3.36Å
272G89.1Confident86.6Confident48 Ų4856.2 Ų56.250%0.49533%0.327SS..THydrogen-bonded Turntrans63.8-102.7-173.500000110.6S295 S298G272-S295 VanDerWaalsContact O-CA 3.26Å; G272-S295 WeakPolarHBondContact O-CA 3.42Å; G272-S295 WeakPolarHBondContact O-CB 3.2Å; G272-S298 VanDerWaalsContact O-CB 3.23Å; G272-S298 WeakPolarHBondContact O-CB 3.37Å; G272-S298 PolarHBondContact O-OG 3.24Å
273K90.3Very high85.4Confident106 Ų10660 Ų6046%0.46135%0.352SS..THydrogen-bonded Turntrans-103.1-5.6178.2-3.2179.8176.7-169.70113.5L271 Y291 T292 S298L271-K273 PolarHBondContact O-N 3.22Å; K273-Y291 CarbonylContact O-C 3.46Å; K273-Y291 VanDerWaalsContact O-CA 3.23Å; K273-Y291 WeakPolarHBondContact O-CA 3.44Å; K273-T292 PolarHBondContact O-N 3.34Å; K273-S298 WeakPolarHBondContact CA-OG 3.39Å
274K91.3Very high84.2Confident54 Ų5459.8 Ų59.824%0.23535%0.351CS..EExtended strand (participates in β ladder)trans-87129.4-177.1-170.2-173.8-166.4-169.70108.4F270 L271 E276 V289 Y291F270-K274 CarbonylContact C-O 3.58Å; F270-K274 VanDerWaalsContact CA-O 3.3Å; F270-K274 WeakPolarHBondContact CA-O 3.32Å; L271-K274 HydrophobicContact CB-CB 4.4Å; L271-K274 PolarHBondContact N-O 2.96Å; L271-K274 WeakPolarHBondContact O-CB 3.33Å; L271-K274 PolarHBondContact O-N 3.36Å; K274-E276 HydrophobicContact CD-CG 4.23Å; K274-E276 WeakPolarHBondContact CE-OE1 3.32Å; K274-E276 HydrophobicContact CG-CG 4.23Å; K274-E276 IonicContact NZ-OE1 3.78Å; K274-E276 PolarHBondContact NZ-OE1 3.35Å; K274-V289 HydrophobicContact CD-CG1 4.2Å; K274-V289 HydrophobicContact CG-CG1 3.83Å; K274-Y291 HydrophobicContact CB-CD1 4.05Å; K274-Y291 HydrophobicContact CB-CE1 3.81Å; K274-Y291 HydrophobicContact CD-CE1 4.46Å; K274-Y291 HydrophobicContact CG-CD1 4.28Å; K274-Y291 HydrophobicContact CG-CE1 3.74Å
275F92.6Very high83Confident0 Ų060.4 Ų60.40%037%0.368CS..EExtended strand (participates in β ladder)trans-115121.7175.6173-137.4000108.5L224 L237 L268 F270 I277 V289 Y290 T292 L301 L305L224-F275 HydrophobicContact CD1-CD1 3.91Å; L224-F275 HydrophobicContact CD1-CE1 4.12Å; L237-F275 HydrophobicContact CD2-CE1 3.85Å; L237-F275 HydrophobicContact CD2-CZ 4.25Å; L268-F275 HydrophobicContact CB-CE2 4.37Å; L268-F275 HydrophobicContact CD2-CE2 4.16Å; L268-F275 HydrophobicContact CD2-CZ 4.29Å; F270-F275 HydrophobicContact CD1-CB 3.95Å; F270-F275 AromaticContact CD1-CD2 3.94Å; F270-F275 HydrophobicContact CD1-CD2 3.94Å; F270-F275 HydrophobicContact CD1-CG 4.27Å; F270-F275 AromaticContact CD2-CD2 3.88Å; F270-F275 HydrophobicContact CD2-CD2 3.88Å; F270-F275 HydrophobicContact CD2-CE2 4.29Å; F270-F275 HydrophobicContact CE1-CB 3.64Å; F270-F275 AromaticContact CE1-CD2 3.38Å; F270-F275 HydrophobicContact CE1-CD2 3.38Å; F270-F275 HydrophobicContact CE1-CE2 4.13Å; F270-F275 AromaticContact CE1-CG 3.61Å; F270-F275 HydrophobicContact CE1-CG 3.61Å; F270-F275 AromaticContact CE2-CD2 3.29Å; F270-F275 HydrophobicContact CE2-CD2 3.29Å; F270-F275 AromaticContact CE2-CE2 3.39Å; F270-F275 HydrophobicContact CE2-CE2 3.39Å; F270-F275 HydrophobicContact CE2-CG 4.33Å; F270-F275 HydrophobicContact CE2-CZ 4.48Å; F270-F275 HydrophobicContact CG-CD2 4.21Å; F270-F275 HydrophobicContact CZ-CB 4.22Å; F270-F275 HydrophobicContact CZ-CD1 4.44Å; F270-F275 AromaticContact CZ-CD2 3.04Å; F270-F275 HydrophobicContact CZ-CD2 3.04Å; F270-F275 AromaticContact CZ-CE2 3.32Å; F270-F275 HydrophobicContact CZ-CE2 3.32Å; F270-F275 AromaticContact CZ-CG 3.67Å; F270-F275 HydrophobicContact CZ-CG 3.67Å; F270-F275 HydrophobicContact CZ-CZ 4.14Å; F275-I277 HydrophobicContact CD1-CG1 4.37Å; F275-I277 HydrophobicContact CE1-CD1 3.63Å; F275-I277 HydrophobicContact CE1-CG1 3.64Å; F275-I277 HydrophobicContact CE2-CG1 3.95Å; F275-I277 HydrophobicContact CZ-CD1 3.77Å; F275-I277 HydrophobicContact CZ-CG1 3.41Å; F275-I277 VanDerWaalsContact CZ-CG1 3.41Å; F275-V289 WeakPolarHBondContact O-CA 3.32Å; F275-Y290 PolarHBondContact N-O 2.91Å; F275-Y290 PolarHBondContact O-N 3.44Å; F275-T292 HydrophobicContact CB-CG2 4.47Å; F275-L301 HydrophobicContact CD1-CD2 4.41Å; F275-L301 HydrophobicContact CE1-CD2 4.41Å; F275-L305 HydrophobicContact CE2-CD1 4.22Å; F275-L305 HydrophobicContact CZ-CD1 3.88Å
276E91.6Very high82.4Confident29 Ų2965.2 Ų65.214%0.13638%0.383CS..EExtended strand (participates in β ladder)trans-115130.8177.7-51.6-168156.800110T269 K274 K287 L288 V289T269-E276 PolarHBondContact N-O 2.92Å; T269-E276 PolarHBondContact O-N 3.33Å; K274-E276 HydrophobicContact CD-CG 4.23Å; K274-E276 WeakPolarHBondContact CE-OE1 3.32Å; K274-E276 HydrophobicContact CG-CG 4.23Å; K274-E276 IonicContact NZ-OE1 3.78Å; K274-E276 PolarHBondContact NZ-OE1 3.35Å; E276-K287 VanDerWaalsContact CD-NZ 3.25Å; E276-K287 IonicContact OE1-NZ 2.9Å; E276-K287 PolarHBondContact OE1-NZ 3.36Å; E276-K287 WeakPolarHBondContact OE2-CD 3.49Å; E276-K287 IonicContact OE2-NZ 2.61Å; E276-K287 PolarHBondContact OE2-NZ 3.32Å; E276-L288 CarbonylContact C-O 3.59Å; E276-L288 VanDerWaalsContact CA-O 3.25Å; E276-L288 WeakPolarHBondContact CA-O 3.44Å; E276-V289 HydrophobicContact CG-CG2 4.15Å
277I90.3Very high82.4Confident1 Ų167.4 Ų67.41%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-110.3119.4173.3-52.6171.7000107.4L237 M244 V246 F260 L268 F275 L288 Y290L237-I277 HydrophobicContact CD1-CD1 4.45Å; M244-I277 HydrophobicContact CE-CG2 4.48Å; V246-I277 HydrophobicContact CG2-CD1 4.14Å; F260-I277 HydrophobicContact CE2-CG2 4.31Å; F260-I277 HydrophobicContact CZ-CG2 4.4Å; L268-I277 HydrophobicContact CD2-CB 4.36Å; L268-I277 HydrophobicContact CD2-CG1 4.16Å; L268-I277 HydrophobicContact CD2-CG2 4Å; F275-I277 HydrophobicContact CD1-CG1 4.37Å; F275-I277 HydrophobicContact CE1-CD1 3.63Å; F275-I277 HydrophobicContact CE1-CG1 3.64Å; F275-I277 HydrophobicContact CE2-CG1 3.95Å; F275-I277 HydrophobicContact CZ-CD1 3.77Å; F275-I277 HydrophobicContact CZ-CG1 3.41Å; F275-I277 VanDerWaalsContact CZ-CG1 3.41Å; I277-L288 HydrophobicContact CB-CB 4.29Å; I277-L288 PolarHBondContact N-O 2.96Å; I277-L288 PolarHBondContact O-N 3.44Å; I277-Y290 HydrophobicContact CD1-CD2 4.41Å; I277-Y290 HydrophobicContact CD1-CE2 4.37Å
278Q88.3Confident82.5Confident42 Ų4263 Ų6320%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-107.9112.9170.8-173.8177-8.800108.5G266 R267G266-Q278 WeakPolarHBondContact CA-O 3.31Å; G266-Q278 PolarHBondContact N-O 3.35Å; R267-Q278 HydrophobicContact CB-CB 4.11Å; R267-Q278 PolarHBondContact N-O 2.6Å; R267-Q278 PolarHBondContact O-N 2.75Å
279P83Confident82.5Confident20 Ų2063.2 Ų63.213%0.1337%0.369CS..EExtended strand (participates in β ladder)trans-65.3149.8174.1-15.529.7000110.7F260 L282F260-P279 HydrophobicContact CE1-CB 4.06Å; F260-P279 HydrophobicContact CE1-CG 3.75Å; F260-P279 HydrophobicContact CZ-CG 4.4Å; P279-L282 HydrophobicContact CB-CD1 4.07Å; P279-L282 HydrophobicContact CG-CD1 4.09Å
280D81.1Confident82.6Confident108 Ų10861.2 Ų61.258%0.57836%0.356SS*.THydrogen-bonded Turntrans-66.2147.4176-169.328.7000111.7N264 L282N264-D280 PolarHBondContact O-N 2.95Å; D280-L282 PolarHBondContact O-N 3.22Å; D280-L282 VanDerWaalsContact O-N 3.12Å
281G72.1Confident82.6Confident74 Ų7461.9 Ų61.976%0.76336%0.357SS*.THydrogen-bonded Turntrans70.9-2.9178.700000116.8
282L68.2Low82.6Confident71 Ų7155.9 Ų55.937%0.37233%0.326SS..SBendtrans-99.6145.9177.1-74.9177.9000113P279 D280P279-L282 HydrophobicContact CB-CD1 4.07Å; P279-L282 HydrophobicContact CG-CD1 4.09Å; D280-L282 PolarHBondContact O-N 3.22Å; D280-L282 VanDerWaalsContact O-N 3.12Å
283P67.3Low82.5Confident86 Ų8655 Ų5556%0.55832%0.317SS*.  trans-57.1144.2174.6-19.529.5000111.3A285 R286P283-A285 PolarHBondContact O-N 3.4Å; P283-R286 PolarHBondContact O-N 3.43Å
284S61.8Low82.3Confident78 Ų7851.8 Ų51.855%0.54531%0.308SS..THydrogen-bonded Turntrans-56.3-17-177.6-1540000114.4R286S284-R286 VanDerWaalsContact C-N 3.27Å; S284-R286 PolarHBondContact O-N 2.9Å
285A60.4Low82.1Confident98 Ų9852.8 Ų52.881%0.8132%0.322SS*.THydrogen-bonded Turntrans-67.6-18.4173.200000114.5P283P283-A285 PolarHBondContact O-N 3.4Å
286R72.4Confident81.8Confident128 Ų12855.7 Ų55.748%0.48333%0.334SS..SBendtrans-101.750.5179.2-65.3-167.8179.3-160.4-0.1112.3P283 S284P283-R286 PolarHBondContact O-N 3.43Å; S284-R286 VanDerWaalsContact C-N 3.27Å; S284-R286 PolarHBondContact O-N 2.9Å
287K84.6Confident81.5Confident87 Ų8757.1 Ų57.138%0.37834%0.339SS..  trans-88.1138.1175.662.3-178-177.7176.20111.9E276 V289E276-K287 VanDerWaalsContact CD-NZ 3.25Å; E276-K287 IonicContact OE1-NZ 2.9Å; E276-K287 PolarHBondContact OE1-NZ 3.36Å; E276-K287 WeakPolarHBondContact OE2-CD 3.49Å; E276-K287 IonicContact OE2-NZ 2.61Å; E276-K287 PolarHBondContact OE2-NZ 3.32Å; K287-V289 HydrophobicContact CD-CG2 4.34Å; K287-V289 HydrophobicContact CG-CG2 4.11Å
288L88.2Confident81.5Confident32 Ų3257.2 Ų57.217%0.16834%0.339CS..EExtended strand (participates in β ladder)trans-86134.4167.3-60.8175.3000108.7Y258 F260 E276 I277 Y290Y258-L288 HydrophobicContact CD1-CD1 4.44Å; Y258-L288 HydrophobicContact CD2-CD1 3.71Å; Y258-L288 HydrophobicContact CE2-CD1 3.88Å; Y258-L288 HydrophobicContact CE2-CD2 3.88Å; Y258-L288 HydrophobicContact CG-CD1 4.01Å; F260-L288 HydrophobicContact CE2-CD1 3.84Å; F260-L288 HydrophobicContact CZ-CD1 3.53Å; E276-L288 CarbonylContact C-O 3.59Å; E276-L288 VanDerWaalsContact CA-O 3.25Å; E276-L288 WeakPolarHBondContact CA-O 3.44Å; I277-L288 HydrophobicContact CB-CB 4.29Å; I277-L288 PolarHBondContact N-O 2.96Å; I277-L288 PolarHBondContact O-N 3.44Å; L288-Y290 HydrophobicContact CB-CD2 4.42Å; L288-Y290 HydrophobicContact CB-CE2 3.75Å; L288-Y290 HydrophobicContact CD1-CE2 4.39Å
289V90.9Very high81.5Confident43 Ų4360.4 Ų60.426%0.26135%0.35SS..EExtended strand (participates in β ladder)trans-123125.9-178.2-179.10000109.3K274 F275 E276 K287 Y291K274-V289 HydrophobicContact CD-CG1 4.2Å; K274-V289 HydrophobicContact CG-CG1 3.83Å; F275-V289 WeakPolarHBondContact O-CA 3.32Å; E276-V289 HydrophobicContact CG-CG2 4.15Å; K287-V289 HydrophobicContact CD-CG2 4.34Å; K287-V289 HydrophobicContact CG-CG2 4.11Å; V289-Y291 HydrophobicContact CG1-CE2 4.2Å
290Y91.9Very high81.7Confident14 Ų1460.4 Ų60.46%0.05535%0.348CS..EExtended strand (participates in β ladder)trans-132.5171.6176.5-62.8-75.6000110.3L224 Q225 A235 V246 F275 I277 L288L224-Y290 HydrophobicContact CD1-CD2 4.39Å; L224-Y290 HydrophobicContact CD1-CG 4.07Å; Q225-Y290 CarbonylContact O-C 3.24Å; Q225-Y290 WeakPolarHBondContact O-CA 3.29Å; A235-Y290 HydrophobicContact CB-CD1 3.95Å; A235-Y290 HydrophobicContact CB-CE1 3.79Å; V246-Y290 HydrophobicContact CG1-CE1 4.48Å; V246-Y290 HydrophobicContact CG1-CE2 4.23Å; V246-Y290 WeakPolarHBondContact CG1-OH 3.34Å; F275-Y290 PolarHBondContact N-O 2.91Å; F275-Y290 PolarHBondContact O-N 3.44Å; I277-Y290 HydrophobicContact CD1-CD2 4.41Å; I277-Y290 HydrophobicContact CD1-CE2 4.37Å; L288-Y290 HydrophobicContact CB-CD2 4.42Å; L288-Y290 HydrophobicContact CB-CE2 3.75Å; L288-Y290 HydrophobicContact CD1-CE2 4.39Å
291Y91.1Very high82.2Confident50 Ų5055.4 Ų55.420%0.19632%0.321CS..EExtended strand (participates in β ladder)trans-132.9138.6177.8-58.7-91.2000111.4Q225 R228 K273 K274 V289Q225-Y291 PolarHBondContact N-O 2.86Å; Q225-Y291 PolarHBondContact O-N 3.3Å; R228-Y291 HydrophobicContact CB-CD2 4.49Å; R228-Y291 HydrophobicContact CB-CE1 4.29Å; R228-Y291 HydrophobicContact CB-CE2 4.25Å; K273-Y291 CarbonylContact O-C 3.46Å; K273-Y291 VanDerWaalsContact O-CA 3.23Å; K273-Y291 WeakPolarHBondContact O-CA 3.44Å; K274-Y291 HydrophobicContact CB-CD1 4.05Å; K274-Y291 HydrophobicContact CB-CE1 3.81Å; K274-Y291 HydrophobicContact CD-CE1 4.46Å; K274-Y291 HydrophobicContact CG-CD1 4.28Å; K274-Y291 HydrophobicContact CG-CE1 3.74Å; V289-Y291 HydrophobicContact CG1-CE2 4.2Å
292T88.2Confident83.1Confident4 Ų455 Ų553%0.02530%0.301CS..  trans-956.6-179.663.80000113.2L224 F270 K273 F275 S294 R297 S298 L301L224-T292 HydrophobicContact CD2-CG2 3.78Å; F270-T292 HydrophobicContact CE1-CG2 4.22Å; K273-T292 PolarHBondContact O-N 3.34Å; F275-T292 HydrophobicContact CB-CG2 4.47Å; T292-S294 PolarHBondContact O-N 2.99Å; T292-S294 PolarHBondContact OG1-O 2.93Å; T292-R297 WeakPolarHBondContact O-CD 3.47Å; T292-S298 PolarHBondContact OG1-N 3.27Å; T292-S298 PolarHBondContact OG1-OG 3.27Å; T292-L301 HydrophobicContact CG2-CD2 4.12Å
293G86.1Confident84.2Confident29 Ų2954.5 Ų54.530%0.29930%0.299SS..SBendtrans74.1-33.8-175.700000115.5
294S86.8Confident85.3Confident40 Ų4050.6 Ų50.628%0.2827%0.273SS..SBendtrans-141.1150.617769.50000112.8T292 F296 R297 S298T292-S294 PolarHBondContact O-N 2.99Å; T292-S294 PolarHBondContact OG1-O 2.93Å; S294-F296 VanDerWaalsContact C-N 3.27Å; S294-F296 PolarHBondContact O-N 3.33Å; S294-R297 PolarHBondContact O-N 2.82Å; S294-R297 WeakPolarHBondContact OG-CB 3.39Å; S294-R297 VanDerWaalsContact OG-CG 3.3Å; S294-R297 WeakPolarHBondContact OG-CG 3.42Å; S294-R297 PolarHBondContact OG-N 3.37Å; S294-S298 PolarHBondContact O-N 2.94Å
295S87.5Confident86.8Confident75 Ų7547 Ų4752%0.52425%0.247SC..Hα-helixtrans-64.9-32.7175.651.50000112.9G272 S298 R299G272-S295 VanDerWaalsContact O-CA 3.26Å; G272-S295 WeakPolarHBondContact O-CA 3.42Å; G272-S295 WeakPolarHBondContact O-CB 3.2Å; S295-S298 WeakPolarHBondContact O-CB 3.28Å; S295-S298 PolarHBondContact O-N 3.4Å; S295-R299 PolarHBondContact O-N 3.04Å
296F85.5Confident88.3Confident60 Ų6045.3 Ų45.326%0.26323%0.23SC..Hα-helixtrans-57.1-51.6171.9178.3-99.3000111.4Y72 S294 S298 R299 H300Y72-F296 AromaticContact CD1-CZ 3.96Å; Y72-F296 HydrophobicContact CD1-CZ 3.96Å; Y72-F296 HydrophobicContact CE1-CE1 4.35Å; Y72-F296 HydrophobicContact CE1-CE2 4.16Å; Y72-F296 AromaticContact CE1-CZ 3.41Å; Y72-F296 HydrophobicContact CE1-CZ 3.41Å; Y72-F296 VanDerWaalsContact CE1-CZ 3.41Å; Y72-F296 AromaticContact CZ-CZ 3.93Å; S294-F296 VanDerWaalsContact C-N 3.27Å; S294-F296 PolarHBondContact O-N 3.33Å; F296-S298 VanDerWaalsContact C-N 3.32Å; F296-S298 PolarHBondContact O-N 3.41Å; F296-R299 PolarHBondContact O-N 3.46Å; F296-H300 AromaticContact CD1-CD2 3.97Å; F296-H300 AromaticContact CD2-CD2 3.99Å; F296-H300 AromaticContact CE1-CD2 3.67Å; F296-H300 AromaticContact CE1-NE2 3.72Å; F296-H300 AromaticContact CE2-CD2 3.71Å; F296-H300 AromaticContact CE2-NE2 3.31Å; F296-H300 VanDerWaalsContact CE2-NE2 3.31Å; F296-H300 WeakPolarHBondContact CE2-NE2 3.47Å; F296-H300 AromaticContact CZ-CD2 3.57Å; F296-H300 AromaticContact CZ-NE2 3.15Å; F296-H300 WeakPolarHBondContact CZ-NE2 3.37Å; F296-H300 PolarHBondContact O-CD2 3.18Å; F296-H300 VanDerWaalsContact O-CD2 3.28Å; F296-H300 PolarHBondContact O-N 3.18Å; F296-H300 VanDerWaalsContact O-N 3.12Å
297R86.4Confident89.2Confident60 Ų6041.2 Ų41.223%0.22622%0.218CC..Hα-helixtrans-63-36.8176.1-72.6-177.968.416311.9112.8E59 T292 S294 L301E59-R297 IonicContact OE2-CZ 3.34Å; E59-R297 IonicContact OE2-NH1 3.36Å; E59-R297 IonicContact OE2-NH2 3.22Å; E59-R297 PolarHBondContact OE2-NH2 2.92Å; T292-R297 WeakPolarHBondContact O-CD 3.47Å; S294-R297 PolarHBondContact O-N 2.82Å; S294-R297 WeakPolarHBondContact OG-CB 3.39Å; S294-R297 VanDerWaalsContact OG-CG 3.3Å; S294-R297 WeakPolarHBondContact OG-CG 3.42Å; S294-R297 PolarHBondContact OG-N 3.37Å; R297-L301 WeakPolarHBondContact O-CB 3.11Å; R297-L301 PolarHBondContact O-N 3.28Å
298S89.4Confident89.6Confident2 Ų237.7 Ų37.71%0.01420%0.204CC..Hα-helixtrans-59.6-49174.8-82.90000111.9F270 G272 K273 T292 S294 S295 F296 H300 L301 L302F270-S298 VanDerWaalsContact CD1-CB 3.46Å; F270-S298 WeakPolarHBondContact CE1-O 3.5Å; G272-S298 VanDerWaalsContact O-CB 3.23Å; G272-S298 WeakPolarHBondContact O-CB 3.37Å; G272-S298 PolarHBondContact O-OG 3.24Å; K273-S298 WeakPolarHBondContact CA-OG 3.39Å; T292-S298 PolarHBondContact OG1-N 3.27Å; T292-S298 PolarHBondContact OG1-OG 3.27Å; S294-S298 PolarHBondContact O-N 2.94Å; S295-S298 WeakPolarHBondContact O-CB 3.28Å; S295-S298 PolarHBondContact O-N 3.4Å; F296-S298 VanDerWaalsContact C-N 3.32Å; F296-S298 PolarHBondContact O-N 3.41Å; S298-H300 PolarHBondContact O-N 3.27Å; S298-L301 PolarHBondContact O-N 2.84Å; S298-L302 PolarHBondContact O-N 2.86Å
299R87.9Confident89.8Confident110 Ų11039.1 Ų39.142%0.41521%0.21SC..Hα-helixtrans-60.5-46.9178.6-178.1173.8176.5-99.7-10.1111.7D64 E67 S295 F296 L301 L302 L303D64-R299 IonicContact OD2-CZ 2.96Å; D64-R299 IonicContact OD2-NH1 2.63Å; D64-R299 PolarHBondContact OD2-NH1 2.97Å; D64-R299 IonicContact OD2-NH2 3.15Å; D64-R299 PolarHBondContact OD2-NH2 2.96Å; E67-R299 IonicContact OE1-NH1 3.77Å; E67-R299 PolarHBondContact OE1-NH1 2.71Å; E67-R299 VanDerWaalsContact OE1-NH1 3.17Å; S295-R299 PolarHBondContact O-N 3.04Å; F296-R299 PolarHBondContact O-N 3.46Å; R299-L301 VanDerWaalsContact C-N 3.35Å; R299-L301 PolarHBondContact O-N 3.12Å; R299-L302 PolarHBondContact O-N 3.11Å; R299-L303 WeakPolarHBondContact O-CB 3.29Å; R299-L303 PolarHBondContact O-N 3.07Å
300H88.6Confident89.8Confident20 Ų2041.1 Ų41.19%0.09322%0.216CC..Hα-helixtrans-60.5-42.8177.4-87.8-80.2000113.2F62 D64 Y72 F296 S298 H304F62-H300 PolarHBondContact O-CE1 3.42Å; F62-H300 PolarHBondContact O-ND1 2.94Å; D64-H300 PolarHBondContact N-CE1 3.5Å; D64-H300 VanDerWaalsContact N-CE1 3.31Å; Y72-H300 AromaticContact CE1-CE1 3.66Å; Y72-H300 AromaticContact CE1-NE2 3.55Å; Y72-H300 AromaticContact CZ-CE1 3.71Å; Y72-H300 AromaticContact CZ-NE2 3.62Å; Y72-H300 PolarHBondContact OH-CE1 3.13Å; Y72-H300 PolarHBondContact OH-NE2 3.42Å; F296-H300 AromaticContact CD1-CD2 3.97Å; F296-H300 AromaticContact CD2-CD2 3.99Å; F296-H300 AromaticContact CE1-CD2 3.67Å; F296-H300 AromaticContact CE1-NE2 3.72Å; F296-H300 AromaticContact CE2-CD2 3.71Å; F296-H300 AromaticContact CE2-NE2 3.31Å; F296-H300 VanDerWaalsContact CE2-NE2 3.31Å; F296-H300 WeakPolarHBondContact CE2-NE2 3.47Å; F296-H300 AromaticContact CZ-CD2 3.57Å; F296-H300 AromaticContact CZ-NE2 3.15Å; F296-H300 WeakPolarHBondContact CZ-NE2 3.37Å; F296-H300 PolarHBondContact O-CD2 3.18Å; F296-H300 VanDerWaalsContact O-CD2 3.28Å; F296-H300 PolarHBondContact O-N 3.18Å; F296-H300 VanDerWaalsContact O-N 3.12Å; S298-H300 PolarHBondContact O-N 3.27Å; H300-H304 WeakPolarHBondContact O-CB 3.29Å; H300-H304 PolarHBondContact O-N 3.19Å
301L91.4Very high89.8Confident3 Ų340.7 Ų40.72%0.01622%0.215CC..Hα-helixtrans-64.9-46.2177.4179.157.5000111.1Y222 L224 L237 F270 F275 T292 R297 S298 R299 L303 H304 L305Y222-L301 HydrophobicContact CD1-CD1 3.94Å; Y222-L301 HydrophobicContact CD2-CD1 3.5Å; Y222-L301 VanDerWaalsContact CD2-CD1 3.5Å; Y222-L301 HydrophobicContact CE1-CD1 4.13Å; Y222-L301 HydrophobicContact CE2-CD1 3.69Å; Y222-L301 HydrophobicContact CG-CD1 3.63Å; L224-L301 HydrophobicContact CD2-CD2 4.07Å; L237-L301 HydrophobicContact CD2-CD1 3.98Å; L237-L301 HydrophobicContact CD2-CD2 3.94Å; L237-L301 HydrophobicContact CD2-CG 4.42Å; F270-L301 HydrophobicContact CE1-CB 4.3Å; F270-L301 HydrophobicContact CE1-CD2 4.14Å; F270-L301 HydrophobicContact CE1-CG 4.36Å; F270-L301 HydrophobicContact CZ-CB 4.14Å; F270-L301 HydrophobicContact CZ-CD2 3.96Å; F270-L301 HydrophobicContact CZ-CG 3.9Å; F275-L301 HydrophobicContact CD1-CD2 4.41Å; F275-L301 HydrophobicContact CE1-CD2 4.41Å; T292-L301 HydrophobicContact CG2-CD2 4.12Å; R297-L301 WeakPolarHBondContact O-CB 3.11Å; R297-L301 PolarHBondContact O-N 3.28Å; S298-L301 PolarHBondContact O-N 2.84Å; R299-L301 VanDerWaalsContact C-N 3.35Å; R299-L301 PolarHBondContact O-N 3.12Å; L301-L303 PolarHBondContact O-N 3.2Å; L301-H304 PolarHBondContact O-N 3.46Å; L301-L305 HydrophobicContact CD1-CD1 4.02Å; L301-L305 HydrophobicContact CD1-CD2 4.39Å; L301-L305 HydrophobicContact CD1-CG 3.95Å; L301-L305 HydrophobicContact CG-CD1 3.93Å; L301-L305 HydrophobicContact CG-CG 4.29Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.05Å; L301-L305 PolarHBondContact O-N 3.3Å
302L90.5Very high89.8Confident66 Ų6641.2 Ų41.235%0.34622%0.217SC..Hα-helixtrans-57.1-48.8177.1178.754.6000111.7F270 S298 R299 H304 L305 S306F270-L302 HydrophobicContact CB-CD2 4.39Å; F270-L302 HydrophobicContact CD2-CB 3.56Å; F270-L302 HydrophobicContact CD2-CD1 3.68Å; F270-L302 HydrophobicContact CD2-CD2 3.83Å; F270-L302 HydrophobicContact CD2-CG 3.86Å; F270-L302 HydrophobicContact CE2-CB 3.48Å; F270-L302 VanDerWaalsContact CE2-CB 3.48Å; F270-L302 HydrophobicContact CE2-CD1 3.67Å; F270-L302 HydrophobicContact CE2-CG 4.04Å; F270-L302 HydrophobicContact CG-CB 4.18Å; F270-L302 HydrophobicContact CG-CD2 4.39Å; F270-L302 HydrophobicContact CZ-CB 4.05Å; S298-L302 PolarHBondContact O-N 2.86Å; R299-L302 PolarHBondContact O-N 3.11Å; L302-H304 VanDerWaalsContact C-N 3.31Å; L302-H304 PolarHBondContact O-N 3.33Å; L302-L305 PolarHBondContact O-N 2.94Å; L302-S306 VanDerWaalsContact O-CB 3.32Å; L302-S306 WeakPolarHBondContact O-CB 3.47Å; L302-S306 PolarHBondContact O-N 3.18Å
303L90.1Very high89.9Confident60 Ų6045.5 Ų45.531%0.31424%0.239SC..Hα-helixtrans-58.4-45.4179.6-177.363000110.9D64 R299 L301 S306 N307D64-L303 HydrophobicContact CB-CD2 4.36Å; R299-L303 WeakPolarHBondContact O-CB 3.29Å; R299-L303 PolarHBondContact O-N 3.07Å; L301-L303 PolarHBondContact O-N 3.2Å; L303-S306 PolarHBondContact O-N 3.49Å; L303-N307 WeakPolarHBondContact O-CB 3.41Å; L303-N307 PolarHBondContact O-N 2.88Å; L303-N307 PolarHBondContact O-OD1 3.19Å
304H91Very high90.2Very high4 Ų444.4 Ų44.42%0.01923%0.227CC..Hα-helixtrans-67.3-42179.3-161.8166.8000112F62 Q99 F100 Y222 H300 L301 L302 S308F62-H304 AromaticContact CD2-CE1 3.65Å; F62-H304 AromaticContact CD2-ND1 3.66Å; F62-H304 AromaticContact CE2-CE1 3.59Å; Q99-H304 VanDerWaalsContact CG-NE2 3.27Å; Q99-H304 WeakPolarHBondContact CG-NE2 3.39Å; Q99-H304 PolarHBondContact O-NE2 3.2Å; F100-H304 AromaticContact CE1-CD2 3.85Å; Y222-H304 AromaticContact CZ-ND1 3.86Å; Y222-H304 PolarHBondContact OH-CE1 3.45Å; Y222-H304 VanDerWaalsContact OH-CE1 3.28Å; Y222-H304 PolarHBondContact OH-ND1 3.33Å; H300-H304 WeakPolarHBondContact O-CB 3.29Å; H300-H304 PolarHBondContact O-N 3.19Å; L301-H304 PolarHBondContact O-N 3.46Å; L302-H304 VanDerWaalsContact C-N 3.31Å; L302-H304 PolarHBondContact O-N 3.33Å; H304-S308 PolarHBondContact CD2-OG 2.81Å; H304-S308 VanDerWaalsContact CD2-OG 3.26Å; H304-S308 VanDerWaalsContact O-CB 3.25Å; H304-S308 WeakPolarHBondContact O-CB 3.5Å; H304-S308 PolarHBondContact O-N 2.99Å; H304-S308 PolarHBondContact O-OG 3.09Å
305L93.1Very high90.4Very high1 Ų142.9 Ų42.91%0.00522%0.215CC..Hα-helixtrans-62-45.3176-68.2176.5000111.6L237 L239 M244 W262 L268 F270 F275 L301 L302 S308 H309L237-L305 HydrophobicContact CD2-CD1 4.22Å; L237-L305 HydrophobicContact CD2-CD2 4.45Å; L239-L305 HydrophobicContact CB-CD2 4.45Å; L239-L305 HydrophobicContact CD1-CD2 3.67Å; L239-L305 HydrophobicContact CD2-CD2 4.25Å; L239-L305 HydrophobicContact CG-CD2 4.33Å; M244-L305 HydrophobicContact CG-CD2 3.92Å; M244-L305 HydrophobicContact SD-CD1 3.88Å; M244-L305 HydrophobicContact SD-CD2 3.6Å; M244-L305 VanDerWaalsContact SD-CD2 3.6Å; M244-L305 HydrophobicContact SD-CG 4.31Å; W262-L305 HydrophobicContact CH2-CD2 4.43Å; L268-L305 HydrophobicContact CD1-CB 4.02Å; L268-L305 HydrophobicContact CD1-CD1 3.89Å; F270-L305 HydrophobicContact CZ-CD1 4.47Å; F275-L305 HydrophobicContact CE2-CD1 4.22Å; F275-L305 HydrophobicContact CZ-CD1 3.88Å; L301-L305 HydrophobicContact CD1-CD1 4.02Å; L301-L305 HydrophobicContact CD1-CD2 4.39Å; L301-L305 HydrophobicContact CD1-CG 3.95Å; L301-L305 HydrophobicContact CG-CD1 3.93Å; L301-L305 HydrophobicContact CG-CG 4.29Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.05Å; L301-L305 PolarHBondContact O-N 3.3Å; L302-L305 PolarHBondContact O-N 2.94Å; L305-S308 PolarHBondContact O-N 3.49Å; L305-H309 PolarHBondContact O-N 3.07Å
306S91.7Very high90.5Very high64 Ų6441.9 Ų41.945%0.44820%0.203SC..Hα-helixtrans-60.5-53.1177.9-172.10000111.3L302 L303 S308 H309 Q310L302-S306 VanDerWaalsContact O-CB 3.32Å; L302-S306 WeakPolarHBondContact O-CB 3.47Å; L302-S306 PolarHBondContact O-N 3.18Å; L303-S306 PolarHBondContact O-N 3.49Å; S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.31Å; S306-H309 PolarHBondContact O-N 3.12Å; S306-Q310 PolarHBondContact O-N 3.16Å
307N92.1Very high90.8Very high42 Ų4242 Ų4223%0.22521%0.209CC..Hα-helixtrans-64.9-34.9-178.9-64.80.9000111.4F100 L303 Q310 V311F100-N307 HydrophobicContact CE1-CB 3.74Å; F100-N307 HydrophobicContact CZ-CB 3.57Å; L303-N307 WeakPolarHBondContact O-CB 3.41Å; L303-N307 PolarHBondContact O-N 2.88Å; L303-N307 PolarHBondContact O-OD1 3.19Å; N307-Q310 PolarHBondContact O-N 3.47Å; N307-V311 WeakPolarHBondContact O-CB 3.41Å; N307-V311 VanDerWaalsContact O-CG2 3.27Å; N307-V311 WeakPolarHBondContact O-CG2 3.35Å; N307-V311 PolarHBondContact O-N 2.95Å
308S92.8Very high91Very high13 Ų1339.1 Ų39.19%0.09120%0.198CC..Hα-helixtrans-66.9-39.4176.6-58.60000112F100 L239 H304 L305 S306 Y312F100-S308 WeakPolarHBondContact CE1-OG 3.42Å; L239-S308 WeakPolarHBondContact CD2-OG 3.24Å; H304-S308 PolarHBondContact CD2-OG 2.81Å; H304-S308 VanDerWaalsContact CD2-OG 3.26Å; H304-S308 VanDerWaalsContact O-CB 3.25Å; H304-S308 WeakPolarHBondContact O-CB 3.5Å; H304-S308 PolarHBondContact O-N 2.99Å; H304-S308 PolarHBondContact O-OG 3.09Å; L305-S308 PolarHBondContact O-N 3.49Å; S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.31Å; S308-Y312 VanDerWaalsContact O-CB 3.3Å; S308-Y312 WeakPolarHBondContact O-CB 3.18Å; S308-Y312 PolarHBondContact O-N 2.95Å
309H91.8Very high91.1Very high62 Ų6239.6 Ų39.629%0.28720%0.201SC..Hα-helixtrans-65.4-43.4174.7-174.6-138.7000111.2W262 L305 S306 V311 Y312 L313W262-H309 HydrophobicContact CD2-CB 4.28Å; W262-H309 AromaticContact CD2-CD2 3.74Å; W262-H309 HydrophobicContact CE3-CB 3.82Å; W262-H309 AromaticContact CE3-CD2 3.58Å; W262-H309 AromaticContact CE3-CG 3.82Å; W262-H309 AromaticContact CG-CD2 3.89Å; W262-H309 HydrophobicContact CH2-CB 4.15Å; W262-H309 HydrophobicContact CZ3-CB 3.75Å; L305-H309 PolarHBondContact O-N 3.07Å; S306-H309 PolarHBondContact O-N 3.12Å; H309-V311 PolarHBondContact O-N 3.14Å; H309-Y312 WeakPolarHBondContact O-CB 3.23Å; H309-Y312 PolarHBondContact O-N 3.41Å; H309-L313 WeakPolarHBondContact O-CG 3.23Å; H309-L313 PolarHBondContact O-N 3.44Å
310Q91.8Very high91.2Very high84 Ų8440.5 Ų40.539%0.39321%0.207SC..Hα-helixtrans-60.5-46.2175.9-175.1177.7-7.100111.9S306 N307 Y312 L313 S314S306-Q310 PolarHBondContact O-N 3.16Å; N307-Q310 PolarHBondContact O-N 3.47Å; Q310-Y312 VanDerWaalsContact C-N 3.34Å; Q310-Y312 PolarHBondContact O-N 2.95Å; Q310-L313 PolarHBondContact O-N 3.36Å; Q310-S314 PolarHBondContact O-N 3.27Å
311V91Very high91.3Very high5 Ų541.7 Ų41.73%0.0321%0.213CC..Hα-helixtrans-63.1-41.3175.4171.30000111.1F100 N307 H309 L313 S314 L315 F455F100-V311 HydrophobicContact CB-CG1 4.12Å; F100-V311 HydrophobicContact CD1-CB 4.42Å; F100-V311 HydrophobicContact CD1-CG2 4.18Å; F100-V311 HydrophobicContact CD2-CG2 4.38Å; F100-V311 HydrophobicContact CE1-CG2 4.48Å; F100-V311 HydrophobicContact CG-CG1 4.48Å; F100-V311 HydrophobicContact CG-CG2 4.12Å; N307-V311 WeakPolarHBondContact O-CB 3.41Å; N307-V311 VanDerWaalsContact O-CG2 3.27Å; N307-V311 WeakPolarHBondContact O-CG2 3.35Å; N307-V311 PolarHBondContact O-N 2.95Å; H309-V311 PolarHBondContact O-N 3.14Å; V311-L313 VanDerWaalsContact C-N 3.3Å; V311-L313 PolarHBondContact O-N 2.81Å; V311-S314 WeakPolarHBondContact CA-OG 3.36Å; V311-S314 PolarHBondContact O-N 3.27Å; V311-S314 PolarHBondContact O-OG 3.05Å; V311-S314 VanDerWaalsContact O-OG 3.05Å; V311-L315 HydrophobicContact CG1-CD1 3.62Å; V311-L315 HydrophobicContact CG1-CG 4.07Å; V311-L315 WeakPolarHBondContact O-CB 3.31Å; V311-L315 WeakPolarHBondContact O-CG 3.47Å; V311-L315 PolarHBondContact O-N 3.36Å; V311-F455 HydrophobicContact CG2-CE1 4.04Å; V311-F455 HydrophobicContact CG2-CZ 3.83Å
312Y91.6Very high91.3Very high62 Ų6241.8 Ų41.824%0.24321%0.213CC..Hα-helixtrans-57.1-44.9175.5165.4-96.1000111.7L241 W262 S308 H309 Q310 Q316L241-Y312 WeakPolarHBondContact O-CD2 3.35Å; W262-Y312 HydrophobicContact CB-CD1 3.7Å; W262-Y312 HydrophobicContact CB-CE1 3.6Å; W262-Y312 HydrophobicContact CB-CG 4.29Å; W262-Y312 AromaticContact CD1-CD1 3.6Å; W262-Y312 AromaticContact CD1-CD2 3.41Å; W262-Y312 VanDerWaalsContact CD1-CD2 3.41Å; W262-Y312 AromaticContact CD1-CE2 3.85Å; W262-Y312 AromaticContact CD1-CG 3.26Å; W262-Y312 AromaticContact CG-CD1 3.79Å; W262-Y312 HydrophobicContact CG-CD1 3.79Å; W262-Y312 HydrophobicContact CG-CD2 4.36Å; W262-Y312 HydrophobicContact CG-CE1 4.13Å; W262-Y312 AromaticContact CG-CG 3.91Å; W262-Y312 HydrophobicContact CG-CG 3.91Å; W262-Y312 AromaticContact NE1-CG 3.87Å; S308-Y312 VanDerWaalsContact O-CB 3.3Å; S308-Y312 WeakPolarHBondContact O-CB 3.18Å; S308-Y312 PolarHBondContact O-N 2.95Å; H309-Y312 WeakPolarHBondContact O-CB 3.23Å; H309-Y312 PolarHBondContact O-N 3.41Å; Q310-Y312 VanDerWaalsContact C-N 3.34Å; Q310-Y312 PolarHBondContact O-N 2.95Å; Y312-Q316 HydrophobicContact CE1-CG 4.41Å; Y312-Q316 WeakPolarHBondContact O-CG 3.38Å; Y312-Q316 PolarHBondContact O-N 3.06Å; Y312-Q316 PolarHBondContact O-NE2 3.15Å
313L91.8Very high91.3Very high94 Ų9443.7 Ų43.749%0.49222%0.216SC..Hα-helixtrans-65.7-45.3177.2-67.9173.9000111.5H309 Q310 V311 L315 Q316H309-L313 WeakPolarHBondContact O-CG 3.23Å; H309-L313 PolarHBondContact O-N 3.44Å; Q310-L313 PolarHBondContact O-N 3.36Å; V311-L313 VanDerWaalsContact C-N 3.3Å; V311-L313 PolarHBondContact O-N 2.81Å; L313-L315 VanDerWaalsContact C-N 3.27Å; L313-L315 PolarHBondContact O-N 3.49Å; L313-Q316 PolarHBondContact O-N 3.46Å
314S91.3Very high91.3Very high6 Ų645.8 Ų45.84%0.04222%0.224CC..Hα-helixtrans-65.9-29.2-178.175.50000113.2Q310 V311 P317 S452Q310-S314 PolarHBondContact O-N 3.27Å; V311-S314 WeakPolarHBondContact CA-OG 3.36Å; V311-S314 PolarHBondContact O-N 3.27Å; V311-S314 PolarHBondContact O-OG 3.05Å; V311-S314 VanDerWaalsContact O-OG 3.05Å; S314-P317 WeakPolarHBondContact O-CD 3.31Å; S314-S452 VanDerWaalsContact CA-OG 3.26Å; S314-S452 WeakPolarHBondContact CA-OG 3.49Å; S314-S452 VanDerWaalsContact CB-OG 3.26Å; S314-S452 WeakPolarHBondContact CB-OG 3.27Å
315L90.8Very high91.2Very high7 Ų746.8 Ų46.84%0.03723%0.23CC..Hα-helixtrans-81.6-18.1178.4-66.3177000113.6V102 L107 V311 L313 A318 L319 L449V102-L315 HydrophobicContact CG1-CD1 4.38Å; V102-L315 HydrophobicContact CG2-CD1 3.85Å; L107-L315 HydrophobicContact CD1-CD2 4.29Å; V311-L315 HydrophobicContact CG1-CD1 3.62Å; V311-L315 HydrophobicContact CG1-CG 4.07Å; V311-L315 WeakPolarHBondContact O-CB 3.31Å; V311-L315 WeakPolarHBondContact O-CG 3.47Å; V311-L315 PolarHBondContact O-N 3.36Å; L313-L315 VanDerWaalsContact C-N 3.27Å; L313-L315 PolarHBondContact O-N 3.49Å; L315-A318 PolarHBondContact O-N 2.92Å; L315-L319 HydrophobicContact CB-CD1 4.04Å; L315-L319 HydrophobicContact CB-CG 4.47Å; L315-L319 WeakPolarHBondContact O-CB 3.44Å; L315-L319 WeakPolarHBondContact O-CG 3.36Å; L315-L319 PolarHBondContact O-N 3.29Å; L315-L449 HydrophobicContact CD2-CD2 3.55Å
316Q90.8Very high90.9Very high55 Ų5548.6 Ų48.626%0.25724%0.239SC..Hα-helixtrans-57.5-45.6-175.1-71.7-46.9-63.100114.2Y312 L313 A318 L319 K320Y312-Q316 HydrophobicContact CE1-CG 4.41Å; Y312-Q316 WeakPolarHBondContact O-CG 3.38Å; Y312-Q316 PolarHBondContact O-N 3.06Å; Y312-Q316 PolarHBondContact O-NE2 3.15Å; L313-Q316 PolarHBondContact O-N 3.46Å; Q316-A318 PolarHBondContact O-N 3.13Å; Q316-L319 PolarHBondContact O-N 3.39Å; Q316-K320 WeakPolarHBondContact O-CB 3.49Å; Q316-K320 PolarHBondContact O-N 2.99Å
317P91.1Very high90.7Very high62 Ų6250.3 Ų50.340%0.40324%0.24SC..Hα-helixtrans-61-46.7-179.7-23.234.9000112.2S314 K320 H321S314-P317 WeakPolarHBondContact O-CD 3.31Å; P317-K320 PolarHBondContact O-N 2.83Å; P317-H321 PolarHBondContact O-N 3.42Å
318A91.2Very high90.4Very high0 Ų050.7 Ų50.70%025%0.246CC..Hα-helixtrans-65.7-41.818000000112L107 L315 Q316 H321 L322 L445 L448 L449L107-A318 HydrophobicContact CD2-CB 3.65Å; L315-A318 PolarHBondContact O-N 2.92Å; Q316-A318 PolarHBondContact O-N 3.13Å; A318-H321 PolarHBondContact O-N 3.35Å; A318-L322 WeakPolarHBondContact O-CG 3.19Å; A318-L322 PolarHBondContact O-N 3.14Å; A318-L445 HydrophobicContact CB-CD2 4.26Å; A318-L448 HydrophobicContact CB-CB 4.29Å; A318-L449 HydrophobicContact CB-CD2 4.03Å; A318-L449 HydrophobicContact CB-CG 4.3Å
319L90.3Very high90Very high11 Ų1153.5 Ų53.56%0.05826%0.256CS..Hα-helixtrans-65.2-39.9176-72.5171.5000112.2E103 N104 L107 L315 Q316 L322 R323E103-L319 HydrophobicContact CG-CD1 4.2Å; E103-L319 HydrophobicContact CG-CD2 3.76Å; N104-L319 HydrophobicContact CB-CD2 3.94Å; L107-L319 HydrophobicContact CD1-CD2 3.6Å; L107-L319 HydrophobicContact CD1-CG 4.06Å; L315-L319 HydrophobicContact CB-CD1 4.04Å; L315-L319 HydrophobicContact CB-CG 4.47Å; L315-L319 WeakPolarHBondContact O-CB 3.44Å; L315-L319 WeakPolarHBondContact O-CG 3.36Å; L315-L319 PolarHBondContact O-N 3.29Å; Q316-L319 PolarHBondContact O-N 3.39Å; L319-L322 PolarHBondContact O-N 3.17Å; L319-R323 WeakPolarHBondContact O-CG 3.39Å; L319-R323 PolarHBondContact O-N 2.95Å
320K90.8Very high89.6Confident129 Ų12957.2 Ų57.256%0.56127%0.274SS*.Hα-helixtrans-63-43.8175.4-173.9179.7179.2-177.10111.1Q316 P317 R323 Q324Q316-K320 WeakPolarHBondContact O-CB 3.49Å; Q316-K320 PolarHBondContact O-N 2.99Å; P317-K320 PolarHBondContact O-N 2.83Å; K320-R323 PolarHBondContact O-N 3.09Å; K320-Q324 WeakPolarHBondContact O-CG 3.42Å; K320-Q324 PolarHBondContact O-N 3.12Å; K320-Q324 VanDerWaalsContact O-N 3.13Å
321H91.3Very high89.1Confident46 Ų4659.6 Ų59.621%0.21328%0.283CS..Hα-helixtrans-60.5-47.5175.6-179.1-106.3000111.7P317 A318 R323 Q324 V325 Q444 L448P317-H321 PolarHBondContact O-N 3.42Å; A318-H321 PolarHBondContact O-N 3.35Å; H321-R323 VanDerWaalsContact C-N 3.33Å; H321-R323 PolarHBondContact O-N 3.44Å; H321-Q324 WeakPolarHBondContact O-CB 3.49Å; H321-Q324 PolarHBondContact O-N 3.46Å; H321-Q324 VanDerWaalsContact O-N 3.15Å; H321-V325 WeakPolarHBondContact O-CG2 3.39Å; H321-V325 PolarHBondContact O-N 3.28Å; H321-Q444 PolarHBondContact CE1-OE1 3.11Å; H321-L448 HydrophobicContact CB-CD1 3.9Å
322L90.9Very high88.4Confident4 Ų465.6 Ų65.62%0.02131%0.309CS..Hα-helixtrans-57.9-43177.7-78.2173.9000112.8N104 R106 L107 A318 L319 V325 E326 L445N104-L322 HydrophobicContact CB-CD1 4.23Å; R106-L322 HydrophobicContact CB-CD1 4.25Å; R106-L322 HydrophobicContact CB-CD2 4.21Å; L107-L322 HydrophobicContact CD2-CD1 3.67Å; L107-L322 HydrophobicContact CG-CD1 3.82Å; A318-L322 WeakPolarHBondContact O-CG 3.19Å; A318-L322 PolarHBondContact O-N 3.14Å; L319-L322 PolarHBondContact O-N 3.17Å; L322-V325 PolarHBondContact O-N 2.68Å; L322-E326 WeakPolarHBondContact O-CB 3.37Å; L322-E326 VanDerWaalsContact O-CG 3.31Å; L322-E326 WeakPolarHBondContact O-CG 3.29Å; L322-E326 PolarHBondContact O-N 2.87Å; L322-L445 HydrophobicContact CD1-CD1 4.5Å; L322-L445 HydrophobicContact CD1-CD2 4.27Å; L322-L445 HydrophobicContact CD2-CD1 3.86Å; L322-L445 HydrophobicContact CD2-CD2 4.06Å; L322-L445 HydrophobicContact CG-CD1 4.4Å; L322-L445 HydrophobicContact CG-CD2 3.85Å
323R90.4Very high87.5Confident106 Ų10671.5 Ų71.540%0.433%0.331SS..Hα-helixtrans-60.8-44.9176-71.2179.5-133.8147.93.1111.7E103 L319 K320 H321 V325 E326 E327E103-R323 IonicContact OE1-NH2 2.67Å; L319-R323 WeakPolarHBondContact O-CG 3.39Å; L319-R323 PolarHBondContact O-N 2.95Å; K320-R323 PolarHBondContact O-N 3.09Å; H321-R323 VanDerWaalsContact C-N 3.33Å; H321-R323 PolarHBondContact O-N 3.44Å; R323-V325 PolarHBondContact O-N 3.22Å; R323-E326 PolarHBondContact O-N 3.14Å; R323-E327 WeakPolarHBondContact O-CG 3.43Å; R323-E327 PolarHBondContact O-N 2.8Å
324Q89.6Confident86.5Confident105 Ų10573.8 Ų73.849%0.49133%0.334SS..Hα-helixtrans-62.5-42.3177.8-70.5174.4-9.400112.4K320 H321 S328K320-Q324 WeakPolarHBondContact O-CG 3.42Å; K320-Q324 PolarHBondContact O-N 3.12Å; K320-Q324 VanDerWaalsContact O-N 3.13Å; H321-Q324 WeakPolarHBondContact O-CB 3.49Å; H321-Q324 PolarHBondContact O-N 3.46Å; H321-Q324 VanDerWaalsContact O-N 3.15Å; Q324-S328 WeakPolarHBondContact O-CB 3.34Å; Q324-S328 PolarHBondContact O-N 2.95Å; Q324-S328 PolarHBondContact O-OG 2.92Å
325V88.8Confident85.6Confident24 Ų2482.8 Ų82.815%0.14537%0.367CS..Hα-helixtrans-62.8-45.6176.3172.40000110.5H321 L322 R323 S328 K329H321-V325 WeakPolarHBondContact O-CG2 3.39Å; H321-V325 PolarHBondContact O-N 3.28Å; L322-V325 PolarHBondContact O-N 2.68Å; R323-V325 PolarHBondContact O-N 3.22Å; V325-S328 PolarHBondContact O-N 2.79Å; V325-S328 PolarHBondContact O-OG 3.02Å; V325-K329 HydrophobicContact CG1-CD 4.13Å; V325-K329 WeakPolarHBondContact O-CG 3.08Å; V325-K329 PolarHBondContact O-N 3.08Å
326E87.1Confident84.5Confident40 Ų4087.1 Ų87.119%0.18739%0.387CS..Hα-helixtrans-61.1-48.4177.8-72.8177.1176.900111.8N104 R106 R209 L322 R323 S328 K329 E330N104-E326 PolarHBondContact ND2-OE1 3.12Å; R106-E326 IonicContact CZ-OE1 2.84Å; R106-E326 IonicContact NE-OE1 2.95Å; R106-E326 IonicContact NH1-OE1 2.68Å; R106-E326 PolarHBondContact NH1-OE1 3.31Å; R209-E326 IonicContact CZ-OE1 3.01Å; R209-E326 IonicContact CZ-OE2 3.17Å; R209-E326 IonicContact NH1-OE1 3.5Å; R209-E326 PolarHBondContact NH1-OE1 2.94Å; R209-E326 IonicContact NH1-OE2 3.5Å; R209-E326 PolarHBondContact NH1-OE2 3.33Å; R209-E326 IonicContact NH2-OE1 2.65Å; R209-E326 PolarHBondContact NH2-OE1 3.11Å; R209-E326 IonicContact NH2-OE2 2.74Å; L322-E326 WeakPolarHBondContact O-CB 3.37Å; L322-E326 VanDerWaalsContact O-CG 3.31Å; L322-E326 WeakPolarHBondContact O-CG 3.29Å; L322-E326 PolarHBondContact O-N 2.87Å; R323-E326 PolarHBondContact O-N 3.14Å; E326-S328 VanDerWaalsContact C-N 3.3Å; E326-S328 PolarHBondContact O-N 2.76Å; E326-K329 PolarHBondContact O-N 3.49Å; E326-E330 PolarHBondContact O-N 3.48Å
327E87.9Confident83.2Confident100 Ų10087.8 Ų87.847%0.46740%0.398SS..Hα-helixtrans-59.9-38.8175.8-73.5174.1-158.800112.4R323 E330 K331R323-E327 WeakPolarHBondContact O-CG 3.43Å; R323-E327 PolarHBondContact O-N 2.8Å; E327-E330 PolarHBondContact O-N 2.68Å; E327-K331 WeakPolarHBondContact O-CB 3.43Å; E327-K331 VanDerWaalsContact O-CG 3.28Å; E327-K331 WeakPolarHBondContact O-CG 3.42Å; E327-K331 PolarHBondContact O-N 2.79Å
328S86.1Confident82Confident50 Ų5091.8 Ų91.835%0.3541%0.406SS..Hα-helixtrans-68.1-37.4178.378.10000112.2Q324 V325 E326 K332Q324-S328 WeakPolarHBondContact O-CB 3.34Å; Q324-S328 PolarHBondContact O-N 2.95Å; Q324-S328 PolarHBondContact O-OG 2.92Å; V325-S328 PolarHBondContact O-N 2.79Å; V325-S328 PolarHBondContact O-OG 3.02Å; E326-S328 VanDerWaalsContact C-N 3.3Å; E326-S328 PolarHBondContact O-N 2.76Å; S328-K332 WeakPolarHBondContact O-CG 3.3Å; S328-K332 PolarHBondContact O-N 3.41Å; S328-K332 VanDerWaalsContact O-N 3.12Å
329K84.4Confident80.6Confident71 Ų7198.5 Ų98.531%0.30944%0.44SS..Hα-helixtrans-67.3-43.1175.9-74.5175.9179.9176.50110.5V325 E326 K332 R333 E441V325-K329 HydrophobicContact CG1-CD 4.13Å; V325-K329 WeakPolarHBondContact O-CG 3.08Å; V325-K329 PolarHBondContact O-N 3.08Å; E326-K329 PolarHBondContact O-N 3.49Å; K329-K332 PolarHBondContact O-N 3.36Å; K329-R333 WeakPolarHBondContact O-CG 3.31Å; K329-R333 PolarHBondContact O-N 2.73Å; K329-E441 VanDerWaalsContact CE-OE1 3.28Å; K329-E441 WeakPolarHBondContact CE-OE1 3.33Å; K329-E441 VanDerWaalsContact NZ-CD 3.33Å; K329-E441 IonicContact NZ-OE1 2.8Å; K329-E441 PolarHBondContact NZ-OE1 2.86Å; K329-E441 IonicContact NZ-OE2 3.3Å; K329-E441 PolarHBondContact NZ-OE2 2.81Å; K329-E441 VanDerWaalsContact NZ-OE2 3.14Å
330E82.1Confident78.9Confident141 Ų141102.2 Ų102.266%0.65947%0.467SS*.Hα-helixtrans-62.2-44.9176.8-171.9173.8-16500111.8E326 E327 K332 R333 Y334E326-E330 PolarHBondContact O-N 3.48Å; E327-E330 PolarHBondContact O-N 2.68Å; E330-K332 VanDerWaalsContact C-N 3.29Å; E330-K332 PolarHBondContact O-N 3.12Å; E330-R333 PolarHBondContact O-N 3.25Å; E330-Y334 WeakPolarHBondContact O-CB 3.36Å; E330-Y334 PolarHBondContact O-N 3.5Å
331K81.6Confident77Confident134 Ų134102.8 Ų102.858%0.58348%0.476SS*.Hα-helixtrans-59.7-36.8174.6-74.1169.7-176.3167.80112.9E327 R335E327-K331 WeakPolarHBondContact O-CB 3.43Å; E327-K331 VanDerWaalsContact O-CG 3.28Å; E327-K331 WeakPolarHBondContact O-CG 3.42Å; E327-K331 PolarHBondContact O-N 2.79Å; K331-R335 WeakPolarHBondContact O-CG 3.29Å; K331-R335 PolarHBondContact O-N 3.14Å; K331-R335 VanDerWaalsContact O-N 3.15Å
332K77.8Confident75.1Confident131 Ų131106.9 Ų106.957%0.5750%0.5SS*.Hα-helixtrans-68-48.4175.2-73.9176.4-178.9-177.80111.4S328 K329 E330 Y334 R335 E336S328-K332 WeakPolarHBondContact O-CG 3.3Å; S328-K332 PolarHBondContact O-N 3.41Å; S328-K332 VanDerWaalsContact O-N 3.12Å; K329-K332 PolarHBondContact O-N 3.36Å; E330-K332 VanDerWaalsContact C-N 3.29Å; E330-K332 PolarHBondContact O-N 3.12Å; K332-Y334 VanDerWaalsContact C-N 3.3Å; K332-Y334 PolarHBondContact O-N 3.25Å; K332-R335 WeakPolarHBondContact O-CB 3.35Å; K332-R335 PolarHBondContact O-N 2.67Å; K332-R335 VanDerWaalsContact O-N 3.07Å; K332-E336 WeakPolarHBondContact O-CG 3.3Å; K332-E336 PolarHBondContact O-N 3.1Å
333R71.7Confident73.4Confident186 Ų186114.9 Ų114.970%0.70254%0.542SS*.Hα-helixtrans-56.4-44.2175.9-71.3-60.9-152.9177.58.4112.1K329 E330 R335 E336 S337K329-R333 WeakPolarHBondContact O-CG 3.31Å; K329-R333 PolarHBondContact O-N 2.73Å; E330-R333 PolarHBondContact O-N 3.25Å; R333-R335 VanDerWaalsContact C-N 3.33Å; R333-R335 PolarHBondContact O-N 2.97Å; R333-E336 PolarHBondContact O-N 2.91Å; R333-S337 PolarHBondContact O-N 3.34Å; R333-S337 VanDerWaalsContact O-N 3.1Å; R333-S337 PolarHBondContact O-OG 3.41Å
334Y71Confident71.6Confident142 Ų142116.3 Ų116.356%0.55756%0.557SS**Hα-helixtrans-62-39.1176.4-175.9-98000112.2E330 K332 S337 Y338E330-Y334 WeakPolarHBondContact O-CB 3.36Å; E330-Y334 PolarHBondContact O-N 3.5Å; K332-Y334 VanDerWaalsContact C-N 3.3Å; K332-Y334 PolarHBondContact O-N 3.25Å; Y334-S337 PolarHBondContact O-OG 3.11Å; Y334-Y338 HydrophobicContact CD1-CD2 4.45Å; Y334-Y338 AromaticContact CD1-CE2 3.8Å; Y334-Y338 HydrophobicContact CD1-CE2 3.8Å; Y334-Y338 HydrophobicContact CD2-CE2 4.22Å; Y334-Y338 HydrophobicContact CE1-CD2 4.33Å; Y334-Y338 AromaticContact CE1-CE2 3.4Å; Y334-Y338 HydrophobicContact CE1-CE2 3.4Å; Y334-Y338 AromaticContact CE2-CE2 3.87Å; Y334-Y338 HydrophobicContact CE2-CE2 3.87Å; Y334-Y338 HydrophobicContact CG-CE2 4.21Å; Y334-Y338 AromaticContact CZ-CE2 3.45Å; Y334-Y338 VanDerWaalsContact CZ-CE2 3.45Å; Y334-Y338 AromaticContact CZ-CZ 3.75Å; Y334-Y338 WeakPolarHBondContact O-CD2 3.4Å; Y334-Y338 WeakPolarHBondContact O-CE2 3.43Å; Y334-Y338 PolarHBondContact OH-OH 3Å
335R71.1Confident69.9Low194 Ų194119.4 Ų119.473%0.73258%0.576SS**Hα-helixtrans-67.1-39.1175.5-79.5-179.4163.3170.6-4112.8K331 K332 R333 Y338K331-R335 WeakPolarHBondContact O-CG 3.29Å; K331-R335 PolarHBondContact O-N 3.14Å; K331-R335 VanDerWaalsContact O-N 3.15Å; K332-R335 WeakPolarHBondContact O-CB 3.35Å; K332-R335 PolarHBondContact O-N 2.67Å; K332-R335 VanDerWaalsContact O-N 3.07Å; R333-R335 VanDerWaalsContact C-N 3.33Å; R333-R335 PolarHBondContact O-N 2.97Å; R335-Y338 PolarHBondContact O-N 3.42Å
336E69.3Low68Low99 Ų99125.4 Ų125.446%0.46361%0.607SS.*Hα-helixtrans-70.1-30.4-179.2-70.5166.4-171.300112.6K332 R333 Y338 I339 S340K332-E336 WeakPolarHBondContact O-CG 3.3Å; K332-E336 PolarHBondContact O-N 3.1Å; R333-E336 PolarHBondContact O-N 2.91Å; E336-Y338 PolarHBondContact O-N 3.06Å; E336-I339 PolarHBondContact O-N 2.8Å; E336-I339 VanDerWaalsContact O-N 3.13Å; E336-S340 PolarHBondContact O-OG 3.44Å
337S63.7Low66.3Low69 Ų69128.9 Ų128.948%0.48363%0.633SS.*Hα-helixtrans-65.9-21.3175.750.20000114.2R333 Y334R333-S337 PolarHBondContact O-N 3.34Å; R333-S337 VanDerWaalsContact O-N 3.1Å; R333-S337 PolarHBondContact O-OG 3.41Å; Y334-S337 PolarHBondContact O-OG 3.11Å
338Y64.1Low64.4Low146 Ų146130.7 Ų130.757%0.57365%0.654SS**THydrogen-bonded Turntrans-84.2-7.7174.6-70.5-77.1000114.1Y334 R335 E336Y334-Y338 HydrophobicContact CD1-CD2 4.45Å; Y334-Y338 AromaticContact CD1-CE2 3.8Å; Y334-Y338 HydrophobicContact CD1-CE2 3.8Å; Y334-Y338 HydrophobicContact CD2-CE2 4.22Å; Y334-Y338 HydrophobicContact CE1-CD2 4.33Å; Y334-Y338 AromaticContact CE1-CE2 3.4Å; Y334-Y338 HydrophobicContact CE1-CE2 3.4Å; Y334-Y338 AromaticContact CE2-CE2 3.87Å; Y334-Y338 HydrophobicContact CE2-CE2 3.87Å; Y334-Y338 HydrophobicContact CG-CE2 4.21Å; Y334-Y338 AromaticContact CZ-CE2 3.45Å; Y334-Y338 VanDerWaalsContact CZ-CE2 3.45Å; Y334-Y338 AromaticContact CZ-CZ 3.75Å; Y334-Y338 WeakPolarHBondContact O-CD2 3.4Å; Y334-Y338 WeakPolarHBondContact O-CE2 3.43Å; Y334-Y338 PolarHBondContact OH-OH 3Å; R335-Y338 PolarHBondContact O-N 3.42Å; E336-Y338 PolarHBondContact O-N 3.06Å
339I62.1Low62.4Low141 Ų141131.8 Ų131.872%0.72367%0.673SS**THydrogen-bonded Turntrans-96.30.8-179.8-57.9171.6000110.5E336E336-I339 PolarHBondContact O-N 2.8Å; E336-I339 VanDerWaalsContact O-N 3.13Å
340S55.7Low60.1Low88 Ų88134 Ų13462%0.61570%0.697SS**  trans-105.822.5-175.5-43.90000113.7E336E336-S340 PolarHBondContact O-OG 3.44Å
341D49.7Very low58.5Low141 Ų141136.4 Ų136.475%0.75471%0.708SS**SBendtrans-89.5128.5167.3-84.8-11.8000108.8L343D341-L343 PolarHBondContact O-N 3.36Å
342D51.7Low56.4Low133 Ų133135.5 Ų135.571%0.71172%0.719SS**  trans-43.7121.5-166.7-60.6-61000115.4D344D342-D344 PolarHBondContact O-N 2.88Å; D342-D344 VanDerWaalsContact O-N 3.11Å
343L55.9Low54.7Low172 Ų172134.7 Ų134.790%0.90173%0.73SS**  trans-73.988.1143.4-72.2177.6000105.9D341 L345D341-L343 PolarHBondContact O-N 3.36Å; L343-L345 PolarHBondContact O-N 3.28Å
344D52.3Low53.7Low136 Ų136131.8 Ų131.873%0.72774%0.735SS**  trans-46.5112.7168.1-84.6-38.2000109D342 D346D342-D344 PolarHBondContact O-N 2.88Å; D342-D344 VanDerWaalsContact O-N 3.11Å; D344-D346 PolarHBondContact O-N 3.46Å
345L54.7Low52.2Low170 Ų170128.2 Ų128.289%0.8974%0.742SS**  trans-73.7101.3168.7-77.2164000107.2L343L343-L345 PolarHBondContact O-N 3.28Å
346D48Very low50.6Low149 Ų149127.6 Ų127.680%0.79775%0.752SS**  trans-53.3135.5169-76.7-43.6000110.3D344D344-D346 PolarHBondContact O-N 3.46Å
347P51.9Low49.4Very low113 Ų113127.4 Ų127.473%0.73476%0.762SS**  trans-70.2149.1-179.428.1-32.5000111.3G349P347-G349 PolarHBondContact O-N 3.1Å
348P48.1Very low48.4Very low139 Ų139135.8 Ų135.890%0.90378%0.783SS**SBendtrans-80110.1-175.632.1-30.4000109.5
349G42.9Very low47.1Very low72 Ų72139.4 Ų139.474%0.74280%0.795SS**  trans169.289.6169.600000114.2P347P347-G349 PolarHBondContact O-N 3.1Å
350S37.2Very low46.1Very low118 Ų118138.6 Ų138.683%0.82580%0.802SS**  171119.3124.1-167.80000109.3S352S350-S352 PolarHBondContact O-N 3.25Å
351E48.8Very low45.3Very low191 Ų191140.6 Ų140.689%0.89381%0.811SS**  trans-63.3126.6165.2-64-178.3122.700110.1
352S35.9Very low44.9Very low115 Ų115137.6 Ų137.680%0.80481%0.814SS**  176.8110.7127.266.40000110.9S350S350-S352 PolarHBondContact O-N 3.25Å
353S42.2Very low44.2Very low115 Ų115136.8 Ų136.880%0.80482%0.818SS**  trans-57.6179.9171.2-52.90000113.7
354P50.8Low43.4Very low124 Ų124134 Ų13481%0.80581%0.813SS**  cis-143.6153.812.137.1-15000118.9
355G41.3Very low42.6Very low68 Ų68130.8 Ų130.870%0.70181%0.812SS**  81.1107.2124.600000118.9
356L36.8Very low41.9Very low180 Ų180129.8 Ų129.894%0.94281%0.806SS**  trans-143.1108.5130.7-76.7-174.7000110.6
357S43.7Very low41.2Very low96 Ų96131.4 Ų131.467%0.67181%0.809SS**  trans-47.9126.8162.6168.20000111.7
358R42.7Very low40.6Very low245 Ų245130.3 Ų130.393%0.92581%0.81SS**  trans-136.6106.1142.5-75.8-161.2174.5-141.1-1.4110.3
359R36.2Very low40Very low221 Ų221131.3 Ų131.383%0.83481%0.807SS**  trans-53.2136.3174.6-67.4178.1167.8-147-3.3111.4
360S42.2Very low39.6Very low124 Ų124131.2 Ų131.287%0.86780%0.8SS**  trans-58.6127.7155.2-49.10000109.7
361T37.8Very low39.5Very low130 Ų130136 Ų13680%0.79880%0.8SS**  trans-129.4113.5156.149.10000106.8
362G42.4Very low38.9Very low79 Ų79136.3 Ų136.381%0.81480%0.801SS**  trans-66.7144.7161.600000109.8
363S36.7Very low38.8Very low116 Ų116139.1 Ų139.181%0.81180%0.801SS**  trans-164.9132.3154178.20000109.8
364S39Very low38.2Very low113 Ų113138.7 Ų138.779%0.7980%0.798SS**  trans-23.9139.9162.2-56.50000117.6
365G35Very low37.2Very low68 Ų68139.3 Ų139.370%0.70180%0.8SS**  69.9128.7102.700000119.9
366I40.1Very low36.5Very low150 Ų150141 Ų14177%0.76980%0.8SS**  trans103127.7139.1-60.3168.7000117.7
367E34.2Very low36.2Very low182 Ų182138.4 Ų138.485%0.8579%0.792SS**  trans65.8123.2154.8-75.7158.1-175.800120.8
368A38Very low35.5Very low91 Ų91141.7 Ų141.775%0.75280%0.797SS**  175.8130.980.100000112.2
369D36.1Very low34.8Very low159 Ų159136.9 Ų136.985%0.8579%0.787SS**  56.6121125.6-147.615.6000121.4
370A34.9Very low34.4Very low71 Ų71132.7 Ų132.759%0.58779%0.786SS**  163.1122.4103.500000114.3
371R35.6Very low33.6Very low218 Ų218131.3 Ų131.382%0.82378%0.776SS**  trans80.199.4143.6-63.5169.8-171.4-165.82.3119.6
372Q34.7Very low33.2Very low197 Ų197134 Ų13492%0.92178%0.782SS**  -125132.4125.9-73-163.9-16.800109.7
373H34.9Very low32.4Very low175 Ų175133.4 Ų133.481%0.8178%0.776SS**  trans-74.5140.2-178.8-89-84.3000112
374S29.9Very low32.2Very low105 Ų105136 Ų13673%0.73478%0.776SS**  trans-69.2158.6176.4-25.20000114.2
375T28.2Very low31.7Very low138 Ų138139.3 Ų139.385%0.84778%0.778SS**  trans178.3125135.824.90000105.1
376S28.4Very low31.4Very low102 Ų102139.8 Ų139.871%0.71378%0.783SS**  cis-161.9142.333.7-71.90000112.2
377T30.4Very low30.8Very low126 Ų126140.8 Ų140.877%0.77379%0.789SS**  trans56.7106.7131.5-36.20000122.1
378E28.3Very low30.8Very low165 Ų165140.3 Ų140.377%0.77179%0.787SS**  11.6154.1126.8-70.5-168.912700120.2
379M28.7Very low30.3Very low144 Ų144143 Ų14371%0.70978%0.784SS**  cis-176.7173.81.8-102.3-84-126.100108.1
380T26.6Very low29.8Very low133 Ų133138.6 Ų138.682%0.81678%0.775SS**  trans89136.5160.775.10000116
381S26.8Very low29.5Very low95 Ų95143.2 Ų143.266%0.66479%0.785SS**  cis-174.9147.510.1117.20000110
382M29Very low29.2Very low187 Ų187142.8 Ų142.892%0.92179%0.789SS**  trans61.9143.8150.5-50.6-74.4-100.600117.5
383G25.8Very low28.7Very low66 Ų66138.7 Ų138.768%0.6878%0.781SS**  cis149150.714.800000107.6
384E31.5Very low28.4Very low172 Ų172137.6 Ų137.680%0.80478%0.78SS**  trans81.2115.5165.3-61.4-170150.800119.3
385E28.9Very low28.2Very low181 Ų181137.4 Ų137.485%0.84678%0.779SS**  99.4138.485-77.9-167.8166.300110
386G28.1Very low28.3Very low78 Ų78136.1 Ų136.180%0.80478%0.776SS**  cis-165.9161.94.800000110.5
387L28.9Very low28.4Very low172 Ų172135.2 Ų135.290%0.90177%0.774SS**  trans-109.3152.3167-103.6152.5000107.7
388Q32.7Very low28.3Very low172 Ų172135.9 Ų135.980%0.80478%0.778SS**  trans161.3146.4148.7-89.9179.44200107.8
389H28.1Very low28.6Very low148 Ų148132.9 Ų132.969%0.68578%0.775SS**  cis-160.2145.114.9-126.978.5000104.8
390G25.2Very low28.8Very low65 Ų65134.2 Ų134.267%0.6778%0.78SS**  161.3110.285.800000112
391E29.2Very low28.8Very low169 Ų169135.2 Ų135.279%0.7978%0.78SS**  trans36.7120.6132.9-51.9-176.5128.800121.4
392K28.3Very low29Very low209 Ų209133.7 Ų133.791%0.90978%0.78SS**  -170.7106.9106.4-101.9173.5-176.9178.60113.5
393C25.6Very low29.2Very low111 Ų111130.4 Ų130.475%0.7578%0.775SS**  trans-35.6154.7139.6-87.40000114.2
394L27.4Very low29.4Very low151 Ų151132.7 Ų132.779%0.79178%0.781SS**  cis-164.5154.816-96.3151.1000110.4
395S26.9Very low29.3Very low101 Ų101131.7 Ų131.771%0.70678%0.779SS**  trans-6.6147.1150.6-36.90000119.3
396S30Very low29.2Very low112 Ų112128.9 Ų128.978%0.78378%0.779SS**  168.9133.667.239.70000107.7
397A30.1Very low29.1Very low82 Ų82132.9 Ų132.968%0.67878%0.777SS**  96.9130.587.200000115.3
398T29.1Very low29.1Very low140 Ų140134.8 Ų134.886%0.85978%0.779SS**  trans65.5143.8154.353.30000118
399S33.1Very low28.8Very low102 Ų102132.8 Ų132.871%0.71377%0.773SS**  cis-174.1151.219.538.40000111.2
400Q32.8Very low29.1Very low172 Ų172133.3 Ų133.380%0.80478%0.78SS**  trans55.8148136.8-68.5-163-36.600125.5
401D27.1Very low29.1Very low155 Ų155133.5 Ų133.583%0.82978%0.783SS**  trans71.1139.4158.2-64.3-11.7000119
402G30.9Very low29.2Very low63 Ų63130.5 Ų130.565%0.64978%0.781SS**  cis166.5145.40.800000110.8
403S33.7Very low29.3Very low118 Ų118129.5 Ų129.583%0.82578%0.776SS**  trans70.2125.8141.9-44.60000124.1
404S29.3Very low29.4Very low114 Ų114130.1 Ų130.180%0.79777%0.772SS**  168.3110.5115.2380000110.2
405I29.1Very low29.3Very low150 Ų150132.1 Ų132.177%0.76978%0.777SS**  69.911982.8-59.5169.5000114.8
406S27.8Very low29.4Very low122 Ų122137.7 Ų137.785%0.85378%0.783SS**  -152.1122.9127.957.60000110.8
407E26.9Very low29.2Very low163 Ų163141.7 Ų141.776%0.76279%0.789SS**  trans-84.2154.9170.4-68.9168130.500110.8
408F27.7Very low29.1Very low211 Ų211146 Ų14693%0.92580%0.795SS**  -161.6157.7114.359.2-95.4000110.6
409D27.4Very low28.9Very low130 Ų130148.9 Ų148.970%0.69580%0.799SS**  trans-139.1178.8-142.6-159.93.9000110.5
410L33.3Very low28.7Very low159 Ų159153.3 Ų153.383%0.83281%0.808SS**  trans87.3130.6165.1-56.8156.7000116.8
411G25.5Very low28.5Very low70 Ų70152.2 Ų152.272%0.72281%0.808SS**  cis162.9161.210.700000105.8
412S31.4Very low28.6Very low106 Ų106148.5 Ų148.574%0.74181%0.807SS**  cis-172153.417.4-66.90000109.8
413K30.6Very low28.4Very low187 Ų187149.1 Ų149.181%0.81381%0.806SS**  trans60.5150.2143.9-72.2-171.6164.6-178.80120.2
414D27.3Very low28.3Very low124 Ų124151.6 Ų151.666%0.66381%0.808SS**  cis-173.7137.9-12.7-105.1-28.8000103.7
415Q25.9Very low28.2Very low194 Ų194155.4 Ų155.491%0.90781%0.81SS**  159.4132.6128.6-87.9-179.413.100113.1
416R27.9Very low28.2Very low217 Ų217152 Ų15282%0.81981%0.805SS**  trans-71.1145.1175.4-66.3171.2175.9-136.2-1.8111.2
417E27.1Very low28.2Very low197 Ų197158 Ų15892%0.92181%0.809SS**  -142.1127128.3-75.3-165.1150.500108.7
418E27Very low28.8Very low172 Ų172156.4 Ų156.480%0.80481%0.81SS**  trans-81.2130.6171.9-75.7174.2140.500109.2
419Q26Very low29.2Very low201 Ų201149 Ų14994%0.93979%0.792SS**  trans-142.6122.8155.9-143.5156.929.200109.8
420Q28.9Very low29.4Very low194 Ų194145.6 Ų145.691%0.90778%0.779SS**  trans-74.4142.9-167.8-83.5170.9-1300113.1
421D28.1Very low29.7Very low149 Ų149142.9 Ų142.980%0.79777%0.77SS**  trans-73.3147.7179.2-166.35.8000112A423D421-A423 PolarHBondContact OD1-N 2.95Å
422G28.9Very low30.2Very low78 Ų78142.2 Ų142.280%0.80476%0.759SS**  trans-151.241.6177.400000110.9
423A27.7Very low30.3Very low76 Ų76143.7 Ų143.763%0.62875%0.754SS**  trans-90.2110.7175.800000111.4D421 K425D421-A423 PolarHBondContact OD1-N 2.95Å; A423-K425 PolarHBondContact O-N 3.33Å
424I30Very low31.1Very low169 Ų169137.3 Ų137.387%0.86774%0.735SS**  trans-63.999166.6-62.2170.5000107.9A426I424-A426 PolarHBondContact O-N 2.96Å; I424-A426 VanDerWaalsContact O-N 3.14Å
425K26.9Very low32.1Very low194 Ų194136.7 Ų136.784%0.84373%0.732SS**  trans-8286.8175.5-161.8173.8-172.4174.30109A423 R427A423-K425 PolarHBondContact O-N 3.33Å; K425-R427 PolarHBondContact O-N 3.49Å; K425-R427 VanDerWaalsContact O-N 3.16Å
426A29.3Very low33Very low79 Ų79132.4 Ų132.465%0.65372%0.718SS**  trans-57.5118.6161.900000108I424 V428I424-A426 PolarHBondContact O-N 2.96Å; I424-A426 VanDerWaalsContact O-N 3.14Å; A426-V428 VanDerWaalsContact C-N 3.25Å; A426-V428 PolarHBondContact O-N 3.23Å
427R29.6Very low34.4Very low249 Ų249126 Ų12694%0.9470%0.701SS**  trans-72.380.4-176-161.4179.7-171.4-173.72.2109.4K425 G429K425-R427 PolarHBondContact O-N 3.49Å; K425-R427 VanDerWaalsContact O-N 3.16Å; R427-G429 PolarHBondContact O-N 3.19Å
428V39.3Very low35.9Very low129 Ų129119 Ų11978%0.78267%0.668SS**PPolyproline II helixtrans-63.9127.3162.5179.10000106.8A426A426-V428 VanDerWaalsContact C-N 3.25Å; A426-V428 PolarHBondContact O-N 3.23Å
429G35.2Very low37.5Very low54 Ų54120.3 Ų120.356%0.55767%0.666SS**PPolyproline II helixtrans-49.914117700000111.2R427R427-G429 PolarHBondContact O-N 3.19Å
430S32.5Very low38.7Very low59 Ų59113.9 Ų113.941%0.41364%0.642SS.*PPolyproline II helixtrans-60.6133.3-177178.30000110.3A432 E433S430-A432 PolarHBondContact O-N 3Å; S430-A432 PolarHBondContact OG-N 3.49Å; S430-E433 PolarHBondContact O-N 2.76Å
431P39.7Very low40.6Very low102 Ų102106.3 Ų106.366%0.66261%0.606SS**Hα-helixtrans-53.8-28175-24.732.4000113L435P431-L435 VanDerWaalsContact O-CG 3.27Å; P431-L435 WeakPolarHBondContact O-CG 3.37Å; P431-L435 PolarHBondContact O-N 3.35Å
432A35.1Very low42.5Very low57 Ų57102 Ų10247%0.47158%0.582SS.*Hα-helixtrans-66.9-36.8177.800000112.8S430 V436S430-A432 PolarHBondContact O-N 3Å; S430-A432 PolarHBondContact OG-N 3.49Å; A432-V436 WeakPolarHBondContact O-CG2 3.38Å; A432-V436 PolarHBondContact O-N 3.12Å; A432-V436 VanDerWaalsContact O-N 3.07Å
433E33.4Very low44.4Very low137 Ų137101.5 Ų101.564%0.6457%0.566SS**Hα-helixtrans-72.4-37.4-179.6-68.9-179.5168.600111.7S430 V436 N437S430-E433 PolarHBondContact O-N 2.76Å; E433-V436 PolarHBondContact O-N 3.3Å; E433-N437 WeakPolarHBondContact O-CB 3.37Å; E433-N437 PolarHBondContact O-N 2.95Å
434A47.1Very low46.6Very low52 Ų52102 Ų10243%0.4356%0.555SS.*Hα-helixtrans-63.4-45.2174.400000111.5V436 N437 E438A434-V436 PolarHBondContact O-N 3.44Å; A434-N437 PolarHBondContact O-N 3.07Å; A434-E438 WeakPolarHBondContact O-CB 3.04Å; A434-E438 WeakPolarHBondContact O-CG 3.45Å; A434-E438 PolarHBondContact O-N 3.15Å
435L48.6Very low49Very low111 Ų11194.3 Ų94.358%0.58152%0.516SS*.Hα-helixtrans-66.1-35.7178.5-68.9172.4000113P431 R439P431-L435 VanDerWaalsContact O-CG 3.27Å; P431-L435 WeakPolarHBondContact O-CG 3.37Å; P431-L435 PolarHBondContact O-N 3.35Å; L435-R439 PolarHBondContact O-N 3.34Å
436V45.3Very low51.4Low104 Ų10488.3 Ų88.363%0.6350%0.496SS*.Hα-helixtrans-69.4-44.7175.91700000111A432 E433 A434 E438 R439 C440A432-V436 WeakPolarHBondContact O-CG2 3.38Å; A432-V436 PolarHBondContact O-N 3.12Å; A432-V436 VanDerWaalsContact O-N 3.07Å; E433-V436 PolarHBondContact O-N 3.3Å; A434-V436 PolarHBondContact O-N 3.44Å; V436-E438 VanDerWaalsContact C-N 3.3Å; V436-E438 PolarHBondContact O-N 2.65Å; V436-R439 PolarHBondContact O-N 3.33Å; V436-C440 PolarHBondContact O-N 3.01Å; V436-C440 VanDerWaalsContact O-N 3.1Å
437N56.2Low53.7Low83 Ų8389.9 Ų89.944%0.44449%0.493SS..Hα-helixtrans-64.2-37.1177.4-167.865.1000111.5E433 A434 C440 E441E433-N437 WeakPolarHBondContact O-CB 3.37Å; E433-N437 PolarHBondContact O-N 2.95Å; A434-N437 PolarHBondContact O-N 3.07Å; N437-C440 PolarHBondContact O-N 2.85Å; N437-E441 PolarHBondContact ND2-OE1 2.68Å; N437-E441 WeakPolarHBondContact O-CB 3.49Å; N437-E441 WeakPolarHBondContact O-CG 3.37Å; N437-E441 PolarHBondContact O-N 3.5Å
438E59.3Low56.1Low50 Ų5081 Ų8123%0.23446%0.464CS..Hα-helixtrans-65.3-42.4174.5-77.1174.2-175.500113.6R201 A434 V436 C440 E441 M442R201-E438 IonicContact CZ-OE1 2.68Å; R201-E438 IonicContact CZ-OE2 3.42Å; R201-E438 IonicContact NH1-OE1 3.05Å; R201-E438 PolarHBondContact NH1-OE1 3.43Å; R201-E438 IonicContact NH1-OE2 3.41Å; R201-E438 PolarHBondContact NH1-OE2 2.96Å; R201-E438 VanDerWaalsContact NH2-CD 3.31Å; R201-E438 IonicContact NH2-OE1 2.87Å; R201-E438 PolarHBondContact NH2-OE1 2.91Å; R201-E438 IonicContact NH2-OE2 2.65Å; R201-E438 PolarHBondContact NH2-OE2 3.02Å; A434-E438 WeakPolarHBondContact O-CB 3.04Å; A434-E438 WeakPolarHBondContact O-CG 3.45Å; A434-E438 PolarHBondContact O-N 3.15Å; V436-E438 VanDerWaalsContact C-N 3.3Å; V436-E438 PolarHBondContact O-N 2.65Å; E438-C440 VanDerWaalsContact C-N 3.3Å; E438-C440 PolarHBondContact O-N 3.41Å; E438-E441 PolarHBondContact O-N 3.48Å; E438-M442 WeakPolarHBondContact O-CB 3.28Å; E438-M442 PolarHBondContact O-N 3.46Å
439R60Low57.8Low200 Ų20075.4 Ų75.476%0.75543%0.429SS*.Hα-helixtrans-64.8-38.5177.9-168.6174.7-175.1173.90.9111.2L435 V436 S443L435-R439 PolarHBondContact O-N 3.34Å; V436-R439 PolarHBondContact O-N 3.33Å; R439-S443 PolarHBondContact O-N 3.13Å; R439-S443 PolarHBondContact O-OG 3.43Å
440C52.8Low58.9Low65 Ų6575.2 Ų75.244%0.43943%0.428SS..Hα-helixtrans-68.1-45.1177.1-1670000112.1V436 N437 E438 M442 S443 Q444V436-C440 PolarHBondContact O-N 3.01Å; V436-C440 VanDerWaalsContact O-N 3.1Å; N437-C440 PolarHBondContact O-N 2.85Å; E438-C440 VanDerWaalsContact C-N 3.3Å; E438-C440 PolarHBondContact O-N 3.41Å; C440-M442 VanDerWaalsContact C-N 3.31Å; C440-M442 PolarHBondContact O-N 2.97Å; C440-S443 PolarHBondContact O-N 3.34Å; C440-Q444 WeakPolarHBondContact O-CG 3.18Å; C440-Q444 PolarHBondContact O-N 3.13Å; C440-Q444 VanDerWaalsContact O-N 3.13Å
441E68.3Low59.7Low35 Ų3576.6 Ų76.616%0.16444%0.443CS..Hα-helixtrans-59.7-42.2174.7-76.1177.5-167.200111.4K329 N437 E438 Q444 L445K329-E441 VanDerWaalsContact CE-OE1 3.28Å; K329-E441 WeakPolarHBondContact CE-OE1 3.33Å; K329-E441 VanDerWaalsContact NZ-CD 3.33Å; K329-E441 IonicContact NZ-OE1 2.8Å; K329-E441 PolarHBondContact NZ-OE1 2.86Å; K329-E441 IonicContact NZ-OE2 3.3Å; K329-E441 PolarHBondContact NZ-OE2 2.81Å; K329-E441 VanDerWaalsContact NZ-OE2 3.14Å; N437-E441 PolarHBondContact ND2-OE1 2.68Å; N437-E441 WeakPolarHBondContact O-CB 3.49Å; N437-E441 WeakPolarHBondContact O-CG 3.37Å; N437-E441 PolarHBondContact O-N 3.5Å; E438-E441 PolarHBondContact O-N 3.48Å; E441-Q444 PolarHBondContact O-N 3.28Å; E441-L445 VanDerWaalsContact O-CG 3.31Å; E441-L445 WeakPolarHBondContact O-CG 3.34Å; E441-L445 PolarHBondContact O-N 3.4Å; E441-L445 VanDerWaalsContact O-N 3.1Å
442M68.4Low60.1Low60 Ų6074.1 Ų74.130%0.29643%0.428SS..Hα-helixtrans-68.1-39.4179.7-156.5164.1-58.500112.4C109 E438 C440 L445 V446C109-M442 HydrophobicContact CB-SD 4.41Å; E438-M442 WeakPolarHBondContact O-CB 3.28Å; E438-M442 PolarHBondContact O-N 3.46Å; C440-M442 VanDerWaalsContact C-N 3.31Å; C440-M442 PolarHBondContact O-N 2.97Å; M442-L445 PolarHBondContact O-N 3.43Å; M442-V446 VanDerWaalsContact O-CG2 3.29Å; M442-V446 WeakPolarHBondContact O-CG2 3.28Å; M442-V446 PolarHBondContact O-N 3.4Å
443S67.8Low60.6Low66 Ų6673 Ų7346%0.46241%0.413SS..Hα-helixtrans-60-45.7174.1-70.90000112.2R439 C440 L445 V446 D447R439-S443 PolarHBondContact O-N 3.13Å; R439-S443 PolarHBondContact O-OG 3.43Å; C440-S443 PolarHBondContact O-N 3.34Å; S443-L445 VanDerWaalsContact C-N 3.33Å; S443-L445 PolarHBondContact O-N 3Å; S443-V446 PolarHBondContact O-N 3.47Å; S443-D447 PolarHBondContact O-N 3.33Å
444Q74.7Confident60.9Low86 Ų8673 Ų7340%0.40242%0.418SS..Hα-helixtrans-63.8-37.4177.8-68.5174.39.900112.6H321 C440 E441 D447 L448H321-Q444 PolarHBondContact CE1-OE1 3.11Å; C440-Q444 WeakPolarHBondContact O-CG 3.18Å; C440-Q444 PolarHBondContact O-N 3.13Å; C440-Q444 VanDerWaalsContact O-N 3.13Å; E441-Q444 PolarHBondContact O-N 3.28Å; Q444-D447 PolarHBondContact O-N 3.07Å; Q444-L448 WeakPolarHBondContact O-CG 3.35Å; Q444-L448 PolarHBondContact O-N 3.44Å; Q444-L448 VanDerWaalsContact O-N 3.11Å
445L79.8Confident60.5Low8 Ų874.5 Ų74.54%0.04242%0.415CS..Hα-helixtrans-68.8-37.6176.3-68.1171.6000112.1L107 A318 L322 E441 M442 S443 D447 L448 L449L107-L445 HydrophobicContact CD2-CD2 4.2Å; A318-L445 HydrophobicContact CB-CD2 4.26Å; L322-L445 HydrophobicContact CD1-CD1 4.5Å; L322-L445 HydrophobicContact CD1-CD2 4.27Å; L322-L445 HydrophobicContact CD2-CD1 3.86Å; L322-L445 HydrophobicContact CD2-CD2 4.06Å; L322-L445 HydrophobicContact CG-CD1 4.4Å; L322-L445 HydrophobicContact CG-CD2 3.85Å; E441-L445 VanDerWaalsContact O-CG 3.31Å; E441-L445 WeakPolarHBondContact O-CG 3.34Å; E441-L445 PolarHBondContact O-N 3.4Å; E441-L445 VanDerWaalsContact O-N 3.1Å; M442-L445 PolarHBondContact O-N 3.43Å; S443-L445 VanDerWaalsContact C-N 3.33Å; S443-L445 PolarHBondContact O-N 3Å; L445-D447 VanDerWaalsContact C-N 3.31Å; L445-D447 PolarHBondContact O-N 3.2Å; L445-L448 PolarHBondContact O-N 3.45Å; L445-L449 WeakPolarHBondContact O-CB 3.49Å; L445-L449 VanDerWaalsContact O-CG 3.23Å; L445-L449 WeakPolarHBondContact O-CG 3.46Å; L445-L449 PolarHBondContact O-N 2.93Å
446V76.2Confident59.7Low69 Ų6973.6 Ų73.642%0.41842%0.424SS..Hα-helixtrans-62.2-41174.3170.40000110.7C109 M442 S443 L449 G450C109-V446 WeakPolarHBondContact SG-CG2 3.32Å; M442-V446 VanDerWaalsContact O-CG2 3.29Å; M442-V446 WeakPolarHBondContact O-CG2 3.28Å; M442-V446 PolarHBondContact O-N 3.4Å; S443-V446 PolarHBondContact O-N 3.47Å; V446-L449 PolarHBondContact O-N 2.99Å; V446-G450 WeakPolarHBondContact O-CA 3.38Å; V446-G450 PolarHBondContact O-N 3.46Å
447D78.1Confident59.2Low111 Ų11171.9 Ų71.959%0.59443%0.426SS*.Hα-helixtrans-64.9-42.1177.3-64.8-24.7000111.6S443 Q444 L445 A451S443-D447 PolarHBondContact O-N 3.33Å; Q444-D447 PolarHBondContact O-N 3.07Å; L445-D447 VanDerWaalsContact C-N 3.31Å; L445-D447 PolarHBondContact O-N 3.2Å; D447-A451 VanDerWaalsContact O-CB 3.3Å; D447-A451 WeakPolarHBondContact O-CB 3.43Å; D447-A451 PolarHBondContact O-N 3.45Å
448L80Confident58Low62 Ų6277.4 Ų77.433%0.32545%0.449SS..Hα-helixtrans-67.7-34.9177.6-70.9172.4000113.2A318 H321 Q444 L445A318-L448 HydrophobicContact CB-CB 4.29Å; H321-L448 HydrophobicContact CB-CD1 3.9Å; Q444-L448 WeakPolarHBondContact O-CG 3.35Å; Q444-L448 PolarHBondContact O-N 3.44Å; Q444-L448 VanDerWaalsContact O-N 3.11Å; L445-L448 PolarHBondContact O-N 3.45Å
449L75.3Confident56.4Low12 Ų1280.4 Ų80.46%0.06348%0.476CS..Hα-helixtrans-78.2-42.1175.9-68.9171.2000111.3L107 L315 A318 L445 V446 S452 M453L107-L449 HydrophobicContact CD2-CD1 4.24Å; L107-L449 HydrophobicContact CD2-CD2 4.5Å; L315-L449 HydrophobicContact CD2-CD2 3.55Å; A318-L449 HydrophobicContact CB-CD2 4.03Å; A318-L449 HydrophobicContact CB-CG 4.3Å; L445-L449 WeakPolarHBondContact O-CB 3.49Å; L445-L449 VanDerWaalsContact O-CG 3.23Å; L445-L449 WeakPolarHBondContact O-CG 3.46Å; L445-L449 PolarHBondContact O-N 2.93Å; V446-L449 PolarHBondContact O-N 2.99Å; L449-S452 PolarHBondContact O-N 3.1Å; L449-S452 VanDerWaalsContact O-N 3.14Å; L449-M453 HydrophobicContact CB-SD 4.27Å; L449-M453 HydrophobicContact CD2-SD 4.04Å; L449-M453 VanDerWaalsContact O-CB 3.31Å; L449-M453 WeakPolarHBondContact O-CB 3.36Å; L449-M453 VanDerWaalsContact O-CG 3.23Å; L449-M453 WeakPolarHBondContact O-CG 3.21Å; L449-M453 PolarHBondContact O-N 3.16Å
450G57.5Low54.9Low50 Ų5075 Ų7552%0.51547%0.474SS..Hα-helixtrans-68.2-33.9-178.200000113.5V446 S452V446-G450 WeakPolarHBondContact O-CA 3.38Å; V446-G450 PolarHBondContact O-N 3.46Å; G450-S452 PolarHBondContact O-N 3.07Å
451A50.1Low53.6Low89 Ų8980.8 Ų80.874%0.73650%0.495SS*.THydrogen-bonded Turntrans-70.3-10.2173.400000113.7D447D447-A451 VanDerWaalsContact O-CB 3.3Å; D447-A451 WeakPolarHBondContact O-CB 3.43Å; D447-A451 PolarHBondContact O-N 3.45Å
452S49Very low51.6Low50 Ų5085.4 Ų85.435%0.3553%0.525SS..THydrogen-bonded Turntrans-125.9-12.1-172.2-170.40000115S314 L449 G450S314-S452 VanDerWaalsContact CA-OG 3.26Å; S314-S452 WeakPolarHBondContact CA-OG 3.49Å; S314-S452 VanDerWaalsContact CB-OG 3.26Å; S314-S452 WeakPolarHBondContact CB-OG 3.27Å; L449-S452 PolarHBondContact O-N 3.1Å; L449-S452 VanDerWaalsContact O-N 3.14Å; G450-S452 PolarHBondContact O-N 3.07Å
453M45.6Very low49.5Very low32 Ų3291.2 Ų91.216%0.15855%0.552CS.*  trans-108.753.1-174.2-64.4-171.87100112.4H48 L449 F455H48-M453 WeakPolarHBondContact CD2-CE 3.44Å; H48-M453 WeakPolarHBondContact NE2-CE 3.43Å; L449-M453 HydrophobicContact CB-SD 4.27Å; L449-M453 HydrophobicContact CD2-SD 4.04Å; L449-M453 VanDerWaalsContact O-CB 3.31Å; L449-M453 WeakPolarHBondContact O-CB 3.36Å; L449-M453 VanDerWaalsContact O-CG 3.23Å; L449-M453 WeakPolarHBondContact O-CG 3.21Å; L449-M453 PolarHBondContact O-N 3.16Å; M453-F455 HydrophobicContact CB-CE2 4.4Å; M453-F455 HydrophobicContact CE-CE2 3.4Å; M453-F455 VanDerWaalsContact CE-CE2 3.4Å; M453-F455 HydrophobicContact CE-CZ 3.75Å; M453-F455 PolarHBondContact O-N 3.11Å
454D39.4Very low47.4Very low139 Ų13993.3 Ų93.374%0.74357%0.566SS**  trans-82.389.5161.3-72.5-30.9000108.5A456D454-A456 PolarHBondContact O-N 3.46Å
455F38.8Very low45.3Very low82 Ų8295.1 Ų95.136%0.3659%0.585SS.*  trans-70.7120162.2-66.8-79.5000107.4H48 V311 M453 G457H48-F455 HydrophobicContact CB-CE2 3.81Å; H48-F455 HydrophobicContact CB-CZ 4.35Å; V311-F455 HydrophobicContact CG2-CE1 4.04Å; V311-F455 HydrophobicContact CG2-CZ 3.83Å; M453-F455 HydrophobicContact CB-CE2 4.4Å; M453-F455 HydrophobicContact CE-CE2 3.4Å; M453-F455 VanDerWaalsContact CE-CE2 3.4Å; M453-F455 HydrophobicContact CE-CZ 3.75Å; M453-F455 PolarHBondContact O-N 3.11Å; F455-G457 PolarHBondContact O-N 3.14Å
456A32Very low42.6Very low93 Ų93104.2 Ų104.277%0.76963%0.628SS**SBendtrans-55.3107.1175.100000109.4D454D454-A456 PolarHBondContact O-N 3.46Å
457G33.9Very low40.1Very low67 Ų67111.8 Ų111.869%0.69165%0.65SS**  trans177.356.8-172.500000109.4F455 S459F455-G457 PolarHBondContact O-N 3.14Å; G457-S459 PolarHBondContact O-N 2.96Å
458H30.7Very low37.6Very low199 Ų199116.3 Ų116.392%0.92166%0.659SS**  trans-56121.1177.2-76.6-74.6000110.7
459S27.1Very low34.9Very low114 Ų114123.5 Ų123.580%0.79768%0.682SS**  trans-73.4127.1169166.30000110.7G457G457-S459 PolarHBondContact O-N 2.96Å
460A27.6Very low32.4Very low86 Ų86130.9 Ų130.971%0.71172%0.716SS**  trans46.6100146.200000119.1
461E25.1Very low31.1Very low187 Ų187134.7 Ų134.787%0.87473%0.732SS**  trans-101.4126.9143.7-84.9-167.9159.200110.9
462T25.6Very low29.8Very low132 Ų132138.1 Ų138.181%0.8173%0.732SS**  trans-67.9122.4175.3-54.90000110.8
463Q25.4Very low28.8Very low182 Ų182145.1 Ų145.185%0.8576%0.759SS**  trans-136.9118.7158.7-70.4-169.54.600111.9
464S23Very low27.9Very low109 Ų109147.8 Ų147.876%0.76279%0.786SS**  trans-76.9164.2167.550.30000111.7
465P30.2Very low27.3Very low124 Ų124149 Ų14981%0.80579%0.793SS**  trans-97.2143.8-15736.2-30.7000113.6
466E23.6Very low26.8Very low199 Ų199153.2 Ų153.293%0.9381%0.814SS**  trans-127.1133158.9-98.4-170.7154.300112.1
467Y23.4Very low26.6Very low229 Ų229156.7 Ų156.790%0.89882%0.819SS**  trans-58.5146.3173.7-87.6-104.2000111.9
468R25.4Very low26.3Very low205 Ų205157.4 Ų157.477%0.77482%0.819SS**  168.8120114.1-174.7169.5-66.8-175.62.4114
469R24.8Very low26.1Very low214 Ų214155.5 Ų155.581%0.80882%0.815SS**  trans57.6119.3146.6-74.5-176.8-122170.90.3121.7
470Q23.2Very low26.2Very low166 Ų166157.9 Ų157.978%0.77682%0.818SS**  trans-62165.4145.1-63.6177.6-35.600111.3
471P29.1Very low26.4Very low130 Ų130159 Ų15984%0.84482%0.818SS**  -136.6164.691.326.3-6.8000115.7
472Q22.8Very low26.6Very low161 Ų161158.5 Ų158.575%0.75282%0.819SS**  trans-63.2152.3-177.6-59.8160.4-26.300113.4
473H27.9Very low26.5Very low198 Ų198161 Ų16192%0.91782%0.819SS**  trans-151.8133.1134.3-104-77.3000110
474A27.1Very low26.5Very low87 Ų87163.1 Ų163.172%0.71982%0.819SS**  trans-81.2148.9173.100000110.1
475D27.3Very low26.6Very low166 Ų166166 Ų16689%0.88882%0.822SS**  -158.6147.1128-119.8-21.5000112.9
476Q28.6Very low26.3Very low170 Ų170165.3 Ų165.379%0.79482%0.82SS**  trans-85.2147.5175.6-62.8170.815.800108.8
477D27.6Very low26.5Very low166 Ų166167.6 Ų167.689%0.88882%0.821SS**  -173.7148.9122.9-103.2-26.3000114.3
478A26.4Very low26.7Very low82 Ų82161.7 Ų161.768%0.67881%0.81SS**  trans-86164.1-17500000113.4
479L27.7Very low26.7Very low159 Ų159160.3 Ų160.383%0.83281%0.812SS**  150.7100.7129.3-76.7163.1000113.5
480L28.1Very low26.7Very low164 Ų164156.5 Ų156.586%0.85981%0.813SS**  46.3159.5120.6-68.9-171.4000123.5
481P32.6Very low27.1Very low110 Ų110157.7 Ų157.771%0.71482%0.816SS**  trans-111.3162.9-133.941.4-34.9000115.4
482I28.1Very low27.4Very low175 Ų175157 Ų15790%0.89781%0.811SS**  trans-104.7122.4169.2-62.2177.6000110.6
483K24.7Very low27.5Very low185 Ų185155.4 Ų155.480%0.80481%0.808SS**  trans-90.6164.3171.2-105.9175.9178.3172.60110.3
484R25.1Very low27.5Very low227 Ų227157.6 Ų157.686%0.85781%0.808SS**  trans82.5141.4155.3-84.5179.5-178.5178.81.3115.3
485M25.3Very low27.7Very low168 Ų168160.9 Ų160.983%0.82881%0.808SS**  cis-147.5153.917.5-65.3-174.379.200111.8
486S24.4Very low27.9Very low110 Ų110157.4 Ų157.477%0.76980%0.797SS**  trans-96.1142.8165.338.90000111
487R26.1Very low28.3Very low248 Ų248155.3 Ų155.394%0.93679%0.791SS**  trans-156.2159.8154.7-100.3-159.2173163.9-2.5111
488P28.2Very low28.5Very low104 Ų104153.9 Ų153.968%0.67578%0.783SS**  trans-122.6178-138.643.2-30.7000115.6
489Q25.6Very low28.8Very low176 Ų176156.6 Ų156.682%0.82279%0.786SS**  trans75.2135.3163.9-56.1-172.7-1.100115.2
490T24.2Very low29.2Very low134 Ų134154.9 Ų154.982%0.82278%0.782SS**  -170.1147.468.9-38.90000109.3
491F32.4Very low29.5Very low191 Ų191157.9 Ų157.984%0.83878%0.782SS**  trans-70.7156.6167-75.7-88.6000110.7
492P35.3Very low29.4Very low115 Ų115158.5 Ų158.575%0.74779%0.786SS**  -149.8158.2108.635.5-17.1000117.1
493N25.5Very low29.6Very low128 Ų128157.9 Ų157.968%0.68478%0.784SS**  trans50.6117.1145.8-81.4-10.3000122.5
494R28.1Very low30Very low244 Ų244154.1 Ų154.192%0.92178%0.778SS**  trans-63.2125.2149.7-73.8177.9171180-3.3109.4
495H30.7Very low30.3Very low156 Ų156149.2 Ų149.272%0.72278%0.775SS**  trans-111.5119.9158.7-73.2-66.4000108.4
496S31.3Very low30.5Very low94 Ų94146.8 Ų146.866%0.65778%0.775SS**  trans-65.2139.2169.2-159.10000108.9D498S496-D498 PolarHBondContact OG-OD2 2.82Å
497L36.8Very low30.7Very low125 Ų125145.7 Ų145.765%0.65477%0.773SS**  trans-12576.5168.6-75.5173.3000107.3D499L497-D499 VanDerWaalsContact C-N 3.25Å; L497-D499 PolarHBondContact O-N 3.16Å; L497-D499 VanDerWaalsContact O-N 3.16Å
498D31.4Very low30.9Very low136 Ų136139.4 Ų139.473%0.72776%0.764SS**  trans-76.779.9162.4-67.8-65.6000107.6S496S496-D498 PolarHBondContact OG-OD2 2.82Å
499D33.3Very low30.9Very low139 Ų139141.5 Ų141.574%0.74378%0.775SS**  trans-168.862.7165.8-96.6-29.3000110.9L497L497-D499 VanDerWaalsContact C-N 3.25Å; L497-D499 PolarHBondContact O-N 3.16Å; L497-D499 VanDerWaalsContact O-N 3.16Å
500V37.2Very low31Very low123 Ų123144 Ų14475%0.74578%0.777SS**  trans-136.7106.6153.2-178.10000105.8
501R33.7Very low31.5Very low228 Ų228146.2 Ų146.286%0.8678%0.783SS**PPolyproline II helixtrans-59.6130.7-180-58.9177-156.5163.36.3108.7L503R501-L503 PolarHBondContact O-N 3.45Å
502P30.5Very low31.2Very low122 Ų122141.3 Ų141.379%0.79278%0.778SS**PPolyproline II helixtrans-63.5118.5167.624.7-29.4000107.9
503L32.4Very low30.8Very low163 Ų163142.3 Ų142.385%0.85378%0.781SS**PPolyproline II helixtrans-63.3130.4167-148.585.5000107R501R501-L503 PolarHBondContact O-N 3.45Å
504P31.7Very low30.9Very low105 Ų105142 Ų14268%0.68279%0.786SS**PPolyproline II helixtrans-64.2149.5174.226.9-32.4000109.7S506P504-S506 PolarHBondContact O-N 2.99Å
505P32.8Very low30.8Very low124 Ų124136.2 Ų136.281%0.80578%0.783SS**PPolyproline II helixtrans-61.6136.6177.825.7-32000109.8A507P505-A507 PolarHBondContact O-N 3.04Å
506S29.4Very low30.6Very low118 Ų118135.4 Ų135.483%0.82579%0.789SS**PPolyproline II helixtrans-56.3122.5171.738.10000110P504P504-S506 PolarHBondContact O-N 2.99Å
507A27.2Very low30.4Very low87 Ų87136.6 Ų136.672%0.71980%0.797SS**PPolyproline II helixtrans-61.2138.3177.200000110.8P505 T509P505-A507 PolarHBondContact O-N 3.04Å; A507-T509 PolarHBondContact O-N 3.18Å
508P30.8Very low29.8Very low116 Ų116135.3 Ų135.375%0.75380%0.799SS**PPolyproline II helixtrans-71.1130.4173.627.6-30.9000110.1R510P508-R510 PolarHBondContact O-N 3.03Å
509T29.7Very low29.6Very low148 Ų148138 Ų13891%0.90881%0.807SS**  trans-5899.5173.4-490000109.7A507A507-T509 PolarHBondContact O-N 3.18Å
510R27.3Very low29Very low227 Ų227135.5 Ų135.586%0.85780%0.8SS**  trans-84.1124.3168.2-92.1-175.3168.9-178.7-3109.5P508 A512P508-R510 PolarHBondContact O-N 3.03Å; R510-A512 PolarHBondContact O-N 3.2Å
511L33.1Very low28.4Very low182 Ų182140.5 Ų140.595%0.95381%0.807SS**  trans-65.9109.8155.1-77.5158000107.7
512A26.3Very low27.9Very low87 Ų87135.5 Ų135.572%0.71980%0.802SS**  trans-118.1117.8170.800000109R510R510-A512 PolarHBondContact O-N 3.2Å
513V27.9Very low27.5Very low136 Ų136135.1 Ų135.182%0.82480%0.803SS**  trans-63.6134.6169.7177.30000109
514P27.9Very low27.2Very low122 Ų122131 Ų13179%0.79280%0.799SS**  trans-83.3128.2178.231.4-29000110.5
515S25.2Very low27.1Very low122 Ų122133.8 Ų133.885%0.85381%0.807SS**  trans-109.2141.7161.241.70000109.4
516V27.4Very low27.2Very low140 Ų140133.4 Ų133.485%0.84881%0.805SS**  trans-77.4136-160.4-152.20000111.5
517S27Very low27Very low118 Ų118134.5 Ų134.583%0.82580%0.802SS**  179.4127.6128.549.80000111
518S23.4Very low27Very low99 Ų99135.5 Ų135.569%0.69280%0.799SS**  trans-66150176-47.60000111.7
519H26.7Very low27Very low193 Ų193136 Ų13689%0.89480%0.8SS**  -168.6133.2120.1-85.9-57.6000110.6
520S21.9Very low27.8Very low86 Ų86135.1 Ų135.160%0.60180%0.796SS**  trans-60156.6179.646.90000114.9
521Y24.2Very low27.8Very low227 Ų227127.6 Ų127.689%0.8979%0.789SS**  -173.1145.2112.7-101.1-76.4000111.9
522T22.2Very low27.7Very low123 Ų123125.3 Ų125.376%0.75578%0.784SS**  trans-101.7154.5-170-31.60000111.4
523S23.8Very low27.8Very low115 Ų115130.2 Ų130.280%0.80479%0.788SS**  trans89.9126.6146.4-49.90000120.1
524G24.4Very low27.9Very low76 Ų76129.5 Ų129.578%0.78479%0.785SS**  trans116.9104.3131.300000117.4
525L29.5Very low28Very low163 Ų163129.5 Ų129.585%0.85379%0.788SS**  trans-85.4148.4137.2-130.883.7000106.6
526P36.8Very low28.2Very low117 Ų117127 Ų12776%0.7678%0.78SS**  -153.4164.973.139.1-18000117.6
527D24.9Very low28.4Very low140 Ų140125.5 Ų125.575%0.74978%0.777SS**  trans37.9129.4141.6-89.6-8.3000125.7
528V26.7Very low28.6Very low109 Ų109125.1 Ų125.166%0.66177%0.77SS**  65.4110.9122.4177.20000117.3
529T30.9Very low29.1Very low127 Ų127130.7 Ų130.778%0.77978%0.775SS**  162.6-169.775.225.30000109.6
530P47.2Very low29.4Very low128 Ų128127.1 Ų127.183%0.83177%0.767SS**  -129179.6-85.637.5-14.4000114
531G27.2Very low29.8Very low69 Ų69128.6 Ų128.671%0.71178%0.778SS**  trans-16478.6177.100000116
532T29.8Very low30Very low135 Ų135121.4 Ų121.483%0.82877%0.772SS**  trans19.5127.8141.815.70000121.5
533K29.1Very low30.2Very low189 Ų189123.1 Ų123.182%0.82278%0.777SS**  -178.1119.7105.7-97.9174-170.5-1790115.4
534T29.7Very low31.5Very low122 Ų122122.5 Ų122.575%0.74877%0.77SS**  trans73119133.843.30000125
535S30.9Very low31.6Very low122 Ų122123.7 Ų123.785%0.85377%0.766SS**  trans66.8132.1134.264.40000119.5
536G29Very low31.6Very low68 Ų68126.6 Ų126.670%0.70177%0.768SS**  cis-163.5146.35.200000108.9
537S30.3Very low31.3Very low110 Ų110131.3 Ų131.377%0.76977%0.771SS**  65.2126.2109.5-161.90000113
538T31.9Very low32.2Very low110 Ų110130.2 Ų130.268%0.67577%0.772SS**  cis-164.3120.536.4-20.70000105.7
539R33.8Very low32.3Very low216 Ų216135.1 Ų135.182%0.81578%0.78SS**  91.6109.388.1-95-167.1166.5172.9-5.5113.7
540T32.4Very low32.2Very low118 Ų118137.4 Ų137.472%0.72479%0.787SS**  83.1145.391.750.20000111.8
541S31.7Very low31.3Very low117 Ų117138.5 Ų138.582%0.81878%0.781SS**  cis-177.4164.519.530.50000105.2
542G28.5Very low31.3Very low75 Ų75141.5 Ų141.577%0.77379%0.789SS**  cis-175.2166.614.100000111.4
543D26.4Very low31.2Very low160 Ų160143.3 Ų143.386%0.85679%0.788SS**  trans-65.1-173.6171.6-107.1-17.5000113.5
544P50Low31.2Very low101 Ų101139 Ų13966%0.65679%0.788SS**  cis-138.4-175.1-33.833.5-14.9000111.6
545S27.8Very low31.4Very low101 Ų101143 Ų14371%0.70680%0.795SS**  139.1148128.6690000117.2
546Y28.7Very low31.4Very low225 Ų225142.8 Ų142.888%0.88279%0.791SS**  trans85.6106.2160.1-78.1-85.3000121.4
547Y30.9Very low31.3Very low215 Ų215144.8 Ų144.884%0.84379%0.793SS**  trans-73.7157.3148.7-95.8-76.4000109.9
548P43.8Very low31.1Very low117 Ų117149.2 Ų149.276%0.7680%0.799SS**  -154.8164.86738.8-16.1000119.5
549Y28.5Very low30.8Very low212 Ų212155.2 Ų155.283%0.83181%0.811SS**  trans26.9132.3147.6-100.3-102.5000121.7
550L29.3Very low30.4Very low175 Ų175148.1 Ų148.192%0.91681%0.805SS**  -163.9138.3129.2-102.8160000112.6
551H28.6Very low30.2Very low152 Ų152152.1 Ų152.170%0.70482%0.815SS**  trans-87.1141.6-179.1-172.530.7000109.6
552C25.6Very low30.1Very low131 Ų131158.1 Ų158.189%0.88582%0.82SS**  trans-160.3126.2156.4-110.10000113
553Q29Very low30Very low174 Ų174159.5 Ų159.581%0.81382%0.818SS**  trans-77.8146166.8-68.9174.7-9.500110.5
554A28.6Very low30.3Very low99 Ų99158.1 Ų158.182%0.81882%0.815SS**  trans-164.8121.314600000111.3
555K33.4Very low29.4Very low206 Ų206161 Ų16190%0.89683%0.826SS**  trans-74.3157.7157-73.7175.6176.1174.80109.1
556P30.4Very low29.4Very low117 Ų117161.1 Ų161.176%0.7683%0.825SS**  trans-130.7134.4133.526.9-11000112.7
557S27.6Very low29.5Very low109 Ų109158.1 Ų158.176%0.76282%0.823SS**  trans-74.2134.3165.8470000111
558F26.1Very low29.4Very low204 Ų204152.4 Ų152.490%0.89582%0.815SS**  trans-132.5118.6161.2-103.3-87.9000109.9
559Y25.7Very low28.7Very low236 Ų236155.1 Ų155.193%0.92582%0.822SS**  trans-77.9132.1168.1-113.3-103.1000108.8
560G26.6Very low28.7Very low67 Ų67151.7 Ų151.769%0.69182%0.818SS**  trans-147.1124.2175.300000110.7
561H27.5Very low28.8Very low201 Ų201150.1 Ų150.193%0.93182%0.816SS**PPolyproline II helixtrans-47.8130.7-177.2-89.4-90000114.3
562R28.5Very low28.8Very low243 Ų243151.6 Ų151.692%0.91783%0.828SS**PPolyproline II helixtrans-76129.9171.4-79-175.5171.3-165-1.2111.1
563S27Very low29Very low104 Ų104150.3 Ų150.373%0.72782%0.82SS**PPolyproline II helixtrans-83.8133.4156.169.20000109.3N565S563-N565 PolarHBondContact O-N 3.24Å
564T32.3Very low29.1Very low131 Ų131149.2 Ų149.280%0.80482%0.82SS**SBendtrans-66.4107.5175.342.90000110.2
565N31.4Very low29.3Very low163 Ų163152.6 Ų152.687%0.87282%0.819SS**  trans17248.1156-83.8-23.8000111.9S563S563-N565 PolarHBondContact O-N 3.24Å
566C28.1Very low28.9Very low103 Ų103151 Ų15170%0.69682%0.815SS**  trans-138.3118.8175.1-66.50000108.4
567L30.4Very low28.6Very low162 Ų162154.7 Ų154.785%0.84882%0.819SS**  trans-101.3133.8166.2-68.4172.8000108.9
568S28.4Very low28.4Very low95 Ų95156.6 Ų156.666%0.66482%0.82SS**  trans-115.4119.9-179.7175.20000106.1D570S568-D570 PolarHBondContact O-N 3.48Å
569L30.5Very low28.3Very low173 Ų173155.9 Ų155.991%0.90682%0.819SS**  trans-90.593.7168.8-78.9165000106.8
570D28.7Very low28.2Very low141 Ų141153 Ų15375%0.75481%0.812SS**  trans-178104.4158.2-90.6-24.1000108.5S568S568-D570 PolarHBondContact O-N 3.48Å
571T31.3Very low28.1Very low141 Ų141156.7 Ų156.787%0.86581%0.814SS**  trans177.5113139.246.40000109.5
572L28.1Very low28.3Very low184 Ų184158.1 Ų158.196%0.96383%0.828SS**  trans-113107.9157.6-80172.4000108
573S30.7Very low28.2Very low103 Ų103153.9 Ų153.972%0.7282%0.823SS**  trans-160.9120.7142.760.40000109.1
574D30.7Very low28.3Very low151 Ų151156.5 Ų156.581%0.80783%0.828SS**  trans74.6110.7158.9-56-18.9000121.5
575E32.6Very low28.1Very low170 Ų170157.9 Ų157.979%0.79483%0.83SS**  trans51.996.4137.1-63-72.6141.500119.5
576Q24.8Very low27.9Very low174 Ų174157.6 Ų157.681%0.81383%0.827SS**  154.4124.7122.5-82175.910.200112.8
577F22.9Very low27.9Very low194 Ų194161 Ų16185%0.85184%0.835SS**  trans29.2121.4158-66.3-83.6000122.8
578L25.1Very low27.7Very low148 Ų148160.9 Ų160.978%0.77583%0.834SS**  trans15.6128.6153.8-91.679.1000120.7
579E22.2Very low27.7Very low189 Ų189165.6 Ų165.688%0.88385%0.847SS**  -162.5128.6110.7-121.3178.117700112.8
580F25Very low27.5Very low175 Ų175165.1 Ų165.177%0.76884%0.842SS**  trans-83.9141.2171.5-85.8-99.2000110.5
581I24.3Very low27.3Very low145 Ų145167.1 Ų167.174%0.74485%0.849SS**  trans-145111144.2-58.3-173.1000111.6
582L30.6Very low27Very low231 Ų231169.5 Ų169.5100%1.20985%0.848SS**  trans60.50160.2-64.7169.6000120.5

Retrieved 582 of 582 residues in 866.7 ms (Link to these results)

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