A0A3Q0KRY4_SCHMA Loading...

Propionyl-CoA carboxylase beta chain, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KRY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 391 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
1M80.5Confident95.6Very high105 Ų10573.7 Ų73.752%0.51744%0.438SS..  0-58.40-66.2-166.6-67.400113V3 G4 N37 A38 I42M1-V3 VanDerWaalsContact C-N 3.27Å; M1-V3 PolarHBondContact O-N 3.04Å; M1-G4 PolarHBondContact O-N 3.26Å; M1-N37 HydrophobicContact CE-CB 4.13Å; M1-N37 HydrophobicContact SD-CB 4.26Å; M1-A38 HydrophobicContact CG-CB 4.1Å; M1-A38 HydrophobicContact SD-CB 4.03Å; M1-I42 HydrophobicContact CG-CD1 4.21Å; M1-I42 HydrophobicContact CG-CG1 4.37Å
2L91.8Very high95.8Very high185 Ų18577 Ų7797%0.96945%0.452SS*.THydrogen-bonded Turntrans-51.7-42.1-177.2-70.1171.9000114
3V96Very high95.7Very high131 Ų13174.5 Ų74.579%0.79444%0.44SS*.THydrogen-bonded Turntrans-96.40.1179-59.40000113.9M1 A5M1-V3 VanDerWaalsContact C-N 3.27Å; M1-V3 PolarHBondContact O-N 3.04Å; V3-A5 HydrophobicContact CG2-CB 3.97Å; V3-A5 PolarHBondContact O-N 3.35Å
4G95.7Very high95.4Very high14 Ų1474.1 Ų74.114%0.14446%0.461CS..  trans6236.5-179.600000115.4M1 L132 S133M1-G4 PolarHBondContact O-N 3.26Å; G4-L132 CarbonylContact O-C 3.55Å; G4-L132 WeakPolarHBondContact O-CB 3.38Å; G4-S133 WeakPolarHBondContact O-CB 3.49Å
5A97.6Very high95.3Very high41 Ų4170.1 Ų70.134%0.33944%0.439SS..  trans-105.8147.4177.900000112.5V3 I42V3-A5 HydrophobicContact CG2-CB 3.97Å; V3-A5 PolarHBondContact O-N 3.35Å; A5-I42 WeakPolarHBondContact O-CB 3.28Å; A5-I42 VanDerWaalsContact O-CD1 3.26Å; A5-I42 WeakPolarHBondContact O-CD1 3.47Å; A5-I42 WeakPolarHBondContact O-CG2 3.39Å
6P98.4Very high95.3Very high39 Ų3968.2 Ų68.225%0.25343%0.432SS..  trans-59.6157.9172.8-22.633.4000113.2P43 L132P6-P43 CarbonylContact C-O 3.58Å; P6-P43 VanDerWaalsContact CA-O 3.28Å; P6-P43 WeakPolarHBondContact CA-O 3.24Å; P6-P43 HydrophobicContact CB-CB 4.19Å; P6-P43 HydrophobicContact CB-CG 4.38Å; P6-P43 HydrophobicContact CG-CB 4.48Å; P6-P43 HydrophobicContact CG-CG 4.16Å; P6-L132 WeakPolarHBondContact CD-O 3.21Å; P6-L132 HydrophobicContact CG-CD2 4.17Å
7V98.5Very high95.3Very high81 Ų8173.1 Ų73.149%0.49144%0.44SS..EExtended strand (participates in β ladder)trans-123.9127.3173.1174.20000109.7I42 P43 Q44 I45V7-I42 HydrophobicContact CG2-CD1 3.88Å; V7-P43 PolarHBondContact N-O 3.26Å; V7-Q44 WeakPolarHBondContact O-CA 3.28Å; V7-I45 PolarHBondContact O-N 2.95Å
8V98.7Very high95.3Very high56 Ų5677.1 Ų77.134%0.33946%0.457SS..EExtended strand (participates in β ladder)trans-109.2120.6172.41780000108.6L10 I45 L123 L127V8-L10 HydrophobicContact CG1-CD2 3.89Å; V8-I45 CarbonylContact C-O 3.58Å; V8-I45 WeakPolarHBondContact CA-O 3.49Å; V8-I45 HydrophobicContact CG2-CB 4.44Å; V8-L123 HydrophobicContact CG1-CD2 3.57Å; V8-L123 HydrophobicContact CG2-CD2 4.3Å; V8-L127 HydrophobicContact CG2-CD1 4.23Å
9G98.3Very high95.4Very high26 Ų2681.8 Ų81.827%0.26847%0.474SS..EExtended strand (participates in β ladder)trans-97.9120.1170.600000110.9N11 I45 S46 L47G9-N11 PolarHBondContact O-ND2 2.81Å; G9-I45 PolarHBondContact N-O 3.27Å; G9-S46 WeakPolarHBondContact O-CA 3.46Å; G9-L47 PolarHBondContact O-N 3.02Å
10L98.3Very high95.4Very high102 Ų10282.5 Ų82.553%0.53447%0.473SS..EExtended strand (participates in β ladder)trans-94.3111.3169.9-53.7-175.7000107.9V8 L47 L49 L120V8-L10 HydrophobicContact CG1-CD2 3.89Å; L10-L47 HydrophobicContact CD2-CB 3.86Å; L10-L47 HydrophobicContact CD2-CD2 3.9Å; L10-L47 HydrophobicContact CD2-CG 4.36Å; L10-L49 HydrophobicContact CB-CD1 4.22Å; L10-L49 HydrophobicContact CD2-CD1 4.36Å; L10-L120 HydrophobicContact CD2-CD2 4.35Å
11N98.1Very high95.4Very high31 Ų3180.5 Ų80.517%0.16647%0.47CS..EExtended strand (participates in β ladder)trans-107.6118.1-169.8-57-93.9000110.1G9 L47 I48 L49 G50G9-N11 PolarHBondContact O-ND2 2.81Å; N11-L47 PolarHBondContact N-O 3.02Å; N11-L47 PolarHBondContact ND2-O 3.04Å; N11-I48 HydrophobicContact CB-CD1 3.78Å; N11-L49 PolarHBondContact O-N 2.98Å; N11-G50 PolarHBondContact O-N 3.31Å
12D97.4Very high96.2Very high113 Ų11381.1 Ų81.160%0.60448%0.48SS*.EExtended strand (participates in β ladder)trans-146.592.3168.71793.9000106.4P51D12-P51 VanDerWaalsContact OD1-CD 3.31Å; D12-P51 WeakPolarHBondContact OD1-CD 3.37Å
13S94.3Very high96.4Very high44 Ų4475.1 Ų75.131%0.30846%0.457SS..EExtended strand (participates in β ladder)trans-153.1127.1-171.3177.90000112.4G15 P51 C52S13-G15 PolarHBondContact O-N 3.35Å; S13-G15 PolarHBondContact OG-N 3.11Å; S13-G15 VanDerWaalsContact OG-N 3.15Å; S13-P51 CarbonylContact C-O 3.45Å; S13-P51 PolarHBondContact N-O 3.5Å; S13-P51 CarbonylContact O-C 3.58Å; S13-C52 WeakPolarHBondContact O-CA 3.36Å
14G92.1Very high96.5Very high70 Ų7069.7 Ų69.772%0.72243%0.425SS*.  trans-67.12.3170.300000115
15G93.5Very high96.5Very high13 Ų1374 Ų7413%0.13444%0.444CS..SBendtrans106.3-144.9176.200000113.7S13 Y28 A53S13-G15 PolarHBondContact O-N 3.35Å; S13-G15 PolarHBondContact OG-N 3.11Å; S13-G15 VanDerWaalsContact OG-N 3.15Å; G15-Y28 WeakPolarHBondContact CA-OH 3.33Å; G15-Y28 PolarHBondContact O-OH 3.28Å; G15-A53 VanDerWaalsContact CA-O 3.29Å; G15-A53 WeakPolarHBondContact CA-O 3.44Å
16A95Very high96.5Very high40 Ų4074.7 Ų74.733%0.33145%0.45SS..SBendtrans-69.4135.6-177.500000111.8I18 L25 Y28A16-I18 PolarHBondContact O-N 2.95Å; A16-L25 HydrophobicContact CB-CD2 4.49Å; A16-Y28 HydrophobicContact CB-CD2 4.43Å; A16-Y28 HydrophobicContact CB-CE2 3.71Å; A16-Y28 PolarHBondContact N-OH 3.02Å
17R96.4Very high96.5Very high151 Ų15174.5 Ų74.557%0.5746%0.455SS*.  trans-67.9101.9167.1-171.2178-66.7162.7-4.7110Q19 E20 S24R17-Q19 HydrophobicContact CG-CB 4.49Å; R17-Q19 PolarHBondContact O-N 3.17Å; R17-E20 VanDerWaalsContact CD-OE1 3.28Å; R17-E20 WeakPolarHBondContact CD-OE1 3.37Å; R17-E20 HydrophobicContact CG-CG 4.28Å; R17-E20 IonicContact CZ-OE1 3.82Å; R17-E20 IonicContact NE-OE1 2.9Å; R17-E20 IonicContact NH1-OE1 3.62Å; R17-E20 PolarHBondContact NH1-OE1 3.23Å; R17-E20 PolarHBondContact O-N 2.83Å; R17-E20 VanDerWaalsContact O-N 3.12Å; R17-S24 PolarHBondContact N-OG 2.92Å; R17-S24 WeakPolarHBondContact O-CB 3.2Å; R17-S24 PolarHBondContact O-OG 3.47Å
18I94.3Very high96.4Very high146 Ų14672.4 Ų72.475%0.74944%0.439SS*.G310 helixtrans-58.5-36.2-173.7-61.5177.2000111.8A16 E20 G21A16-I18 PolarHBondContact O-N 2.95Å; I18-E20 PolarHBondContact O-N 3.31Å; I18-E20 VanDerWaalsContact O-N 3.16Å; I18-G21 PolarHBondContact O-N 3.1Å
19Q97Very high96.4Very high167 Ų16772.3 Ų72.378%0.7844%0.444SS*.G310 helixtrans-63.7-21.2-178-6078.76.700113.1R17R17-Q19 HydrophobicContact CG-CB 4.49Å; R17-Q19 PolarHBondContact O-N 3.17Å
20E96.5Very high96.4Very high94 Ų9475.2 Ų75.244%0.43945%0.453SS..G310 helixtrans-91.2-4.2177.2-69.4-176.3-161.400113R17 I18 V22 A23R17-E20 VanDerWaalsContact CD-OE1 3.28Å; R17-E20 WeakPolarHBondContact CD-OE1 3.37Å; R17-E20 HydrophobicContact CG-CG 4.28Å; R17-E20 IonicContact CZ-OE1 3.82Å; R17-E20 IonicContact NE-OE1 2.9Å; R17-E20 IonicContact NH1-OE1 3.62Å; R17-E20 PolarHBondContact NH1-OE1 3.23Å; R17-E20 PolarHBondContact O-N 2.83Å; R17-E20 VanDerWaalsContact O-N 3.12Å; I18-E20 PolarHBondContact O-N 3.31Å; I18-E20 VanDerWaalsContact O-N 3.16Å; E20-V22 PolarHBondContact O-N 2.86Å; E20-A23 WeakPolarHBondContact O-CB 3.46Å; E20-A23 PolarHBondContact O-N 3.22Å
21G95.6Very high96.4Very high41 Ų4174.1 Ų74.142%0.42345%0.447SS..THydrogen-bonded Turntrans52.6-132177.700000113I18 A23 S24I18-G21 PolarHBondContact O-N 3.1Å; G21-A23 PolarHBondContact O-N 3.07Å; G21-S24 VanDerWaalsContact O-CB 3.31Å; G21-S24 WeakPolarHBondContact O-CB 3.36Å; G21-S24 PolarHBondContact O-N 3.31Å
22V96.5Very high96.4Very high118 Ų11874.7 Ų74.772%0.71545%0.448SS*.Hα-helixtrans-62.3-24.2-176.870.10000113.7E20 S24 L25 A26E20-V22 PolarHBondContact O-N 2.86Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 2.96Å; V22-L25 WeakPolarHBondContact O-CB 3.37Å; V22-L25 PolarHBondContact O-N 3.27Å; V22-L25 VanDerWaalsContact O-N 3.13Å; V22-A26 PolarHBondContact O-N 2.82Å
23A97Very high96.4Very high60 Ų6074.4 Ų74.450%0.49644%0.443SS..Hα-helixtrans-64.6-37178.100000111.7E20 G21 L25 A26 G27E20-A23 WeakPolarHBondContact O-CB 3.46Å; E20-A23 PolarHBondContact O-N 3.22Å; G21-A23 PolarHBondContact O-N 3.07Å; A23-L25 VanDerWaalsContact C-N 3.29Å; A23-L25 PolarHBondContact O-N 2.97Å; A23-A26 PolarHBondContact O-N 3.32Å; A23-G27 PolarHBondContact O-N 2.89Å
24S96.4Very high96.6Very high16 Ų1679 Ų7911%0.11245%0.454CS..Hα-helixtrans-60.3-40.1173.2-162.90000111.6R17 G21 V22 G27 Y28R17-S24 PolarHBondContact N-OG 2.92Å; R17-S24 WeakPolarHBondContact O-CB 3.2Å; R17-S24 PolarHBondContact O-OG 3.47Å; G21-S24 VanDerWaalsContact O-CB 3.31Å; G21-S24 WeakPolarHBondContact O-CB 3.36Å; G21-S24 PolarHBondContact O-N 3.31Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 2.96Å; S24-G27 PolarHBondContact O-N 3.29Å; S24-Y28 WeakPolarHBondContact O-CD2 3.4Å; S24-Y28 PolarHBondContact O-N 3.45Å
25L97.1Very high97Very high104 Ų10476.5 Ų76.555%0.54542%0.424SS..Hα-helixtrans-70-39.1177.5-55.2-178000112.2A16 V22 A23 G27 Y28 A29A16-L25 HydrophobicContact CB-CD2 4.49Å; V22-L25 WeakPolarHBondContact O-CB 3.37Å; V22-L25 PolarHBondContact O-N 3.27Å; V22-L25 VanDerWaalsContact O-N 3.13Å; A23-L25 VanDerWaalsContact C-N 3.29Å; A23-L25 PolarHBondContact O-N 2.97Å; L25-G27 VanDerWaalsContact C-N 3.29Å; L25-G27 PolarHBondContact O-N 2.97Å; L25-Y28 WeakPolarHBondContact O-CB 3.49Å; L25-Y28 PolarHBondContact O-N 2.94Å; L25-A29 PolarHBondContact O-N 3Å
26A97.6Very high97.2Very high56 Ų5679.6 Ų79.646%0.46344%0.44SS..Hα-helixtrans-59.8-43.1174.100000110.8V22 A23 Y28 A29 D30V22-A26 PolarHBondContact O-N 2.82Å; A23-A26 PolarHBondContact O-N 3.32Å; A26-Y28 VanDerWaalsContact C-N 3.32Å; A26-Y28 PolarHBondContact O-N 3.46Å; A26-A29 PolarHBondContact O-N 2.94Å; A26-D30 WeakPolarHBondContact O-CB 3.09Å; A26-D30 PolarHBondContact O-N 3.31Å
27G97.5Very high97.4Very high36 Ų3681.8 Ų81.837%0.37145%0.446SS..Hα-helixtrans-56.5-42.4174.200000113.3A23 S24 L25 D30 I31A23-G27 PolarHBondContact O-N 2.89Å; S24-G27 PolarHBondContact O-N 3.29Å; L25-G27 VanDerWaalsContact C-N 3.29Å; L25-G27 PolarHBondContact O-N 2.97Å; G27-D30 WeakPolarHBondContact O-CB 3.26Å; G27-D30 PolarHBondContact O-N 3.4Å; G27-I31 WeakPolarHBondContact O-CG1 3.48Å; G27-I31 PolarHBondContact O-N 3.27Å
28Y97.6Very high97.5Very high36 Ų3674.9 Ų74.914%0.14142%0.421CS..Hα-helixtrans-63-49.9174-84-60000112.9G15 A16 S24 L25 A26 D30 I31 F32 A56G15-Y28 WeakPolarHBondContact CA-OH 3.33Å; G15-Y28 PolarHBondContact O-OH 3.28Å; A16-Y28 HydrophobicContact CB-CD2 4.43Å; A16-Y28 HydrophobicContact CB-CE2 3.71Å; A16-Y28 PolarHBondContact N-OH 3.02Å; S24-Y28 WeakPolarHBondContact O-CD2 3.4Å; S24-Y28 PolarHBondContact O-N 3.45Å; L25-Y28 WeakPolarHBondContact O-CB 3.49Å; L25-Y28 PolarHBondContact O-N 2.94Å; A26-Y28 VanDerWaalsContact C-N 3.32Å; A26-Y28 PolarHBondContact O-N 3.46Å; Y28-D30 PolarHBondContact O-N 3.17Å; Y28-I31 WeakPolarHBondContact O-CB 3.43Å; Y28-I31 PolarHBondContact O-N 3.08Å; Y28-F32 HydrophobicContact CD1-CE1 4.07Å; Y28-F32 AromaticContact CD1-CZ 3.9Å; Y28-F32 HydrophobicContact CD1-CZ 3.9Å; Y28-F32 HydrophobicContact CG-CZ 4.06Å; Y28-F32 VanDerWaalsContact O-CD1 3.31Å; Y28-F32 WeakPolarHBondContact O-CD1 3.48Å; Y28-F32 WeakPolarHBondContact O-CD2 3.49Å; Y28-F32 WeakPolarHBondContact O-CG 3.39Å; Y28-F32 PolarHBondContact O-N 3.15Å; Y28-A56 HydrophobicContact CE1-CB 4.21Å
29A97.8Very high97.7Very high54 Ų5471.1 Ų71.145%0.44641%0.408SS..Hα-helixtrans-57.4-38.4-179.900000111.8L25 A26 I31 F32 Q33L25-A29 PolarHBondContact O-N 3Å; A26-A29 PolarHBondContact O-N 2.94Å; A29-I31 VanDerWaalsContact C-N 3.35Å; A29-I31 PolarHBondContact O-N 3.47Å; A29-F32 PolarHBondContact O-N 3.11Å; A29-Q33 PolarHBondContact O-N 3.42Å
30D98.2Very high97.7Very high87 Ų8764 Ų6447%0.46538%0.379SS..Hα-helixtrans-61.5-39.2175-112.945.3000113.1A26 G27 Y28 R34A26-D30 WeakPolarHBondContact O-CB 3.09Å; A26-D30 PolarHBondContact O-N 3.31Å; G27-D30 WeakPolarHBondContact O-CB 3.26Å; G27-D30 PolarHBondContact O-N 3.4Å; Y28-D30 PolarHBondContact O-N 3.17Å; D30-R34 VanDerWaalsContact CB-NH1 3.25Å; D30-R34 VanDerWaalsContact CG-NH1 3.34Å; D30-R34 WeakPolarHBondContact O-CG 3.24Å; D30-R34 PolarHBondContact O-N 3.18Å; D30-R34 PolarHBondContact O-NH1 3.43Å; D30-R34 IonicContact OD2-CZ 2.96Å; D30-R34 IonicContact OD2-NH1 3.21Å; D30-R34 PolarHBondContact OD2-NH1 2.67Å; D30-R34 IonicContact OD2-NH2 2.77Å; D30-R34 PolarHBondContact OD2-NH2 2.69Å
31I98Very high97.8Very high79 Ų7961.7 Ų61.741%0.40537%0.372SS..Hα-helixtrans-69-46.1174.5-67.3166.5000109.6G27 Y28 A29 Q33 R34 N35G27-I31 WeakPolarHBondContact O-CG1 3.48Å; G27-I31 PolarHBondContact O-N 3.27Å; Y28-I31 WeakPolarHBondContact O-CB 3.43Å; Y28-I31 PolarHBondContact O-N 3.08Å; A29-I31 VanDerWaalsContact C-N 3.35Å; A29-I31 PolarHBondContact O-N 3.47Å; I31-Q33 VanDerWaalsContact C-N 3.33Å; I31-Q33 PolarHBondContact O-N 3.48Å; I31-R34 CarbonylContact O-C 3.59Å; I31-R34 WeakPolarHBondContact O-CA 3.35Å; I31-R34 WeakPolarHBondContact O-CB 3.45Å; I31-R34 PolarHBondContact O-N 3.18Å; I31-N35 WeakPolarHBondContact CG2-OD1 3.1Å; I31-N35 PolarHBondContact O-N 3.39Å; I31-N35 PolarHBondContact O-OD1 2.92Å; I31-N35 VanDerWaalsContact O-OD1 3.08Å
32F98.5Very high98Very high44 Ų4460 Ų6019%0.19335%0.353CS..Hα-helixtrans-59.3-43.6-179-54.6-23.9000112Y28 A29 R34 N35 V36 G55 Y58 L62Y28-F32 HydrophobicContact CD1-CE1 4.07Å; Y28-F32 AromaticContact CD1-CZ 3.9Å; Y28-F32 HydrophobicContact CD1-CZ 3.9Å; Y28-F32 HydrophobicContact CG-CZ 4.06Å; Y28-F32 VanDerWaalsContact O-CD1 3.31Å; Y28-F32 WeakPolarHBondContact O-CD1 3.48Å; Y28-F32 WeakPolarHBondContact O-CD2 3.49Å; Y28-F32 WeakPolarHBondContact O-CG 3.39Å; Y28-F32 PolarHBondContact O-N 3.15Å; A29-F32 PolarHBondContact O-N 3.11Å; F32-R34 PolarHBondContact O-N 3.3Å; F32-N35 WeakPolarHBondContact O-CB 3.11Å; F32-N35 PolarHBondContact O-N 2.79Å; F32-N35 VanDerWaalsContact O-N 3.13Å; F32-V36 WeakPolarHBondContact O-CG2 3.39Å; F32-V36 PolarHBondContact O-N 3.38Å; F32-G55 VanDerWaalsContact CZ-O 3.32Å; F32-G55 WeakPolarHBondContact CZ-O 3.29Å; F32-Y58 HydrophobicContact CZ-CD2 4.33Å; F32-Y58 HydrophobicContact CZ-CG 4.48Å; F32-L62 HydrophobicContact CB-CD1 3.9Å; F32-L62 HydrophobicContact CD1-CD1 4.29Å; F32-L62 HydrophobicContact CG-CD1 4.27Å
33Q98.5Very high98.1Very high107 Ų10754.3 Ų54.350%0.532%0.319SS..Hα-helixtrans-60.8-36.2176.8-174.860.270.200111.9A29 I31 N37A29-Q33 PolarHBondContact O-N 3.42Å; I31-Q33 VanDerWaalsContact C-N 3.33Å; I31-Q33 PolarHBondContact O-N 3.48Å; Q33-N37 PolarHBondContact NE2-OD1 3.43Å; Q33-N37 WeakPolarHBondContact O-CB 3.39Å; Q33-N37 PolarHBondContact O-N 3.4Å; Q33-N37 PolarHBondContact O-ND2 3.45Å
34R98.5Very high98.2Very high141 Ų14151.8 Ų51.853%0.53230%0.296SS..Hα-helixtrans-70.7-38.5175.5-68.9170.9177.494.2-5.8111.6D30 I31 F32 N37 A38D30-R34 VanDerWaalsContact CB-NH1 3.25Å; D30-R34 VanDerWaalsContact CG-NH1 3.34Å; D30-R34 WeakPolarHBondContact O-CG 3.24Å; D30-R34 PolarHBondContact O-N 3.18Å; D30-R34 PolarHBondContact O-NH1 3.43Å; D30-R34 IonicContact OD2-CZ 2.96Å; D30-R34 IonicContact OD2-NH1 3.21Å; D30-R34 PolarHBondContact OD2-NH1 2.67Å; D30-R34 IonicContact OD2-NH2 2.77Å; D30-R34 PolarHBondContact OD2-NH2 2.69Å; I31-R34 CarbonylContact O-C 3.59Å; I31-R34 WeakPolarHBondContact O-CA 3.35Å; I31-R34 WeakPolarHBondContact O-CB 3.45Å; I31-R34 PolarHBondContact O-N 3.18Å; F32-R34 PolarHBondContact O-N 3.3Å; R34-N37 PolarHBondContact O-N 2.72Å; R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.29Å; R34-A38 PolarHBondContact O-N 3.44Å
35N98.7Very high98.3Very high16 Ų1651.1 Ų51.19%0.08629%0.292CS..Hα-helixtrans-60.2-47.7174.3-65.9121.9000111.6I31 F32 N37 A38 S39 Q44 S59 L62I31-N35 WeakPolarHBondContact CG2-OD1 3.1Å; I31-N35 PolarHBondContact O-N 3.39Å; I31-N35 PolarHBondContact O-OD1 2.92Å; I31-N35 VanDerWaalsContact O-OD1 3.08Å; F32-N35 WeakPolarHBondContact O-CB 3.11Å; F32-N35 PolarHBondContact O-N 2.79Å; F32-N35 VanDerWaalsContact O-N 3.13Å; N35-N37 PolarHBondContact O-N 3.02Å; N35-A38 PolarHBondContact O-N 2.91Å; N35-S39 PolarHBondContact O-N 3.01Å; N35-Q44 VanDerWaalsContact CA-OE1 3.28Å; N35-Q44 PolarHBondContact ND2-OE1 3.09Å; N35-Q44 PolarHBondContact O-NE2 3.49Å; N35-S59 PolarHBondContact OD1-OG 3.12Å; N35-L62 HydrophobicContact CB-CB 3.86Å; N35-L62 HydrophobicContact CB-CD1 4.26Å
36V98.7Very high98.4Very high79 Ų7946.3 Ų46.348%0.47927%0.267SS..Hα-helixtrans-61.4-46179172.90000110.9F32 A38 S39 L62F32-V36 WeakPolarHBondContact O-CG2 3.39Å; F32-V36 PolarHBondContact O-N 3.38Å; V36-A38 PolarHBondContact O-N 3.44Å; V36-S39 WeakPolarHBondContact O-CB 3.37Å; V36-S39 PolarHBondContact O-N 2.95Å; V36-L62 HydrophobicContact CG2-CD1 4.33Å; V36-L62 HydrophobicContact CG2-CD2 4.3Å
37N98.3Very high98.4Very high86 Ų8643.7 Ų43.746%0.4625%0.245SC..Hα-helixtrans-65.4-26.5178.5-70.6-12.3000113.1M1 Q33 R34 N35M1-N37 HydrophobicContact CE-CB 4.13Å; M1-N37 HydrophobicContact SD-CB 4.26Å; Q33-N37 PolarHBondContact NE2-OD1 3.43Å; Q33-N37 WeakPolarHBondContact O-CB 3.39Å; Q33-N37 PolarHBondContact O-N 3.4Å; Q33-N37 PolarHBondContact O-ND2 3.45Å; R34-N37 PolarHBondContact O-N 2.72Å; N35-N37 PolarHBondContact O-N 3.02Å
38A98.6Very high98.5Very high6 Ų642 Ų425%0.0523%0.227CC..Hα-helixtrans-90-13.6179.300000113.9M1 R34 N35 V36 G40 V41 I42 Q44M1-A38 HydrophobicContact CG-CB 4.1Å; M1-A38 HydrophobicContact SD-CB 4.03Å; R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.29Å; R34-A38 PolarHBondContact O-N 3.44Å; N35-A38 PolarHBondContact O-N 2.91Å; V36-A38 PolarHBondContact O-N 3.44Å; A38-G40 PolarHBondContact O-N 2.89Å; A38-V41 WeakPolarHBondContact O-CB 3.4Å; A38-V41 PolarHBondContact O-N 3.03Å; A38-I42 HydrophobicContact CB-CD1 4.23Å; A38-I42 HydrophobicContact CB-CG1 3.89Å; A38-I42 PolarHBondContact O-N 3.29Å; A38-Q44 VanDerWaalsContact C-NE2 3.35Å; A38-Q44 HydrophobicContact CB-CG 4.38Å
39S98.7Very high98.5Very high66 Ų6641.7 Ų41.746%0.46223%0.228SC..THydrogen-bonded Turntrans-61.8124.5-177.1-172.60000111.1N35 V36 V41N35-S39 PolarHBondContact O-N 3.01Å; V36-S39 WeakPolarHBondContact O-CB 3.37Å; V36-S39 PolarHBondContact O-N 2.95Å; S39-V41 PolarHBondContact O-N 3.46Å
40G98.4Very high98.5Very high18 Ų1839.2 Ų39.219%0.18621%0.208CC..THydrogen-bonded Turntrans67.712.9-173.800000114.7A38 N134A38-G40 PolarHBondContact O-N 2.89Å; G40-N134 VanDerWaalsContact O-CB 3.3Å; G40-N134 WeakPolarHBondContact O-CB 3.43Å; G40-N134 PolarHBondContact O-ND2 3.33Å
41V98.6Very high98.4Very high46 Ų4636.9 Ų36.928%0.27920%0.197SC..THydrogen-bonded Turntrans-109.9-51.1175.8-178.20000110.8A38 S39 S133 N134A38-V41 WeakPolarHBondContact O-CB 3.4Å; A38-V41 PolarHBondContact O-N 3.03Å; S39-V41 PolarHBondContact O-N 3.46Å; V41-S133 CarbonylContact O-C 3.17Å; V41-S133 WeakPolarHBondContact O-CA 3.41Å; V41-S133 WeakPolarHBondContact O-CB 3.28Å; V41-N134 PolarHBondContact O-N 3.15Å
42I98.7Very high98.3Very high4 Ų433.1 Ų33.12%0.02118%0.178CC..SBendtrans-130.3144.5172.651.6165.6000108.3M1 A5 V7 A38 Q44 F236M1-I42 HydrophobicContact CG-CD1 4.21Å; M1-I42 HydrophobicContact CG-CG1 4.37Å; A5-I42 WeakPolarHBondContact O-CB 3.28Å; A5-I42 VanDerWaalsContact O-CD1 3.26Å; A5-I42 WeakPolarHBondContact O-CD1 3.47Å; A5-I42 WeakPolarHBondContact O-CG2 3.39Å; V7-I42 HydrophobicContact CG2-CD1 3.88Å; A38-I42 HydrophobicContact CB-CD1 4.23Å; A38-I42 HydrophobicContact CB-CG1 3.89Å; A38-I42 PolarHBondContact O-N 3.29Å; I42-Q44 PolarHBondContact O-N 2.91Å; I42-F236 VanDerWaalsContact C-CZ 3.45Å
43P98.7Very high98.1Very high0 Ų031.9 Ų31.90%018%0.176CC..  trans-62.1132.1175.2-20.331000111.1P6 V7 I45 D64 L130 P131 L132 F236P6-P43 CarbonylContact C-O 3.58Å; P6-P43 VanDerWaalsContact CA-O 3.28Å; P6-P43 WeakPolarHBondContact CA-O 3.24Å; P6-P43 HydrophobicContact CB-CB 4.19Å; P6-P43 HydrophobicContact CB-CG 4.38Å; P6-P43 HydrophobicContact CG-CB 4.48Å; P6-P43 HydrophobicContact CG-CG 4.16Å; V7-P43 PolarHBondContact N-O 3.26Å; P43-I45 HydrophobicContact CB-CD1 3.95Å; P43-D64 WeakPolarHBondContact CA-OD2 3.49Å; P43-L130 HydrophobicContact CB-CD1 3.87Å; P43-L130 HydrophobicContact CG-CB 4.33Å; P43-L130 HydrophobicContact CG-CD1 4.31Å; P43-P131 VanDerWaalsContact CG-O 3.26Å; P43-P131 WeakPolarHBondContact CG-O 3.32Å; P43-L132 VanDerWaalsContact CD-O 3.23Å; P43-L132 WeakPolarHBondContact CD-O 3.35Å; P43-F236 HydrophobicContact CG-CD1 4.21Å; P43-F236 HydrophobicContact CG-CE1 3.89Å; P43-F236 HydrophobicContact CG-CZ 4.22Å
44Q98.8Very high97.8Very high7 Ų727.9 Ų27.93%0.03316%0.164CC..EExtended strand (participates in β ladder)trans-117.6119.3177.4-62.4177.884.900108.9V7 N35 A38 I42 T63 D64 F65V7-Q44 WeakPolarHBondContact O-CA 3.28Å; N35-Q44 VanDerWaalsContact CA-OE1 3.28Å; N35-Q44 PolarHBondContact ND2-OE1 3.09Å; N35-Q44 PolarHBondContact O-NE2 3.49Å; A38-Q44 VanDerWaalsContact C-NE2 3.35Å; A38-Q44 HydrophobicContact CB-CG 4.38Å; I42-Q44 PolarHBondContact O-N 2.91Å; Q44-T63 HydrophobicContact CB-CG2 3.8Å; Q44-T63 WeakPolarHBondContact O-CB 3.29Å; Q44-D64 PolarHBondContact N-OD2 3.32Å; Q44-D64 WeakPolarHBondContact O-CB 3.47Å; Q44-D64 PolarHBondContact O-N 3.18Å; Q44-F65 PolarHBondContact O-N 3.3Å
45I98.8Very high97.4Very high2 Ų222.2 Ų22.21%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-121.9133.1-179.3-55.982000108.9V7 V8 G9 P43 F65 F67 L123 F126 L127 L130V7-I45 PolarHBondContact O-N 2.95Å; V8-I45 CarbonylContact C-O 3.58Å; V8-I45 WeakPolarHBondContact CA-O 3.49Å; V8-I45 HydrophobicContact CG2-CB 4.44Å; G9-I45 PolarHBondContact N-O 3.27Å; P43-I45 HydrophobicContact CB-CD1 3.95Å; I45-F65 HydrophobicContact CG2-CB 4.46Å; I45-F67 HydrophobicContact CG2-CD2 3.97Å; I45-F67 HydrophobicContact CG2-CE2 4.03Å; I45-L123 HydrophobicContact CB-CD1 4.35Å; I45-L123 HydrophobicContact CG2-CD1 3.66Å; I45-F126 HydrophobicContact CG1-CD1 4.48Å; I45-F126 HydrophobicContact CG1-CE1 4.02Å; I45-L127 HydrophobicContact CD1-CD2 3.77Å; I45-L127 HydrophobicContact CG1-CD2 4.48Å; I45-L130 HydrophobicContact CD1-CD1 4.32Å
46S98.8Very high97.3Very high3 Ų321.8 Ų21.82%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-112.2121173.4-62.30000109.7G9 P60 T63 F65 I66 F67G9-S46 WeakPolarHBondContact O-CA 3.46Å; S46-P60 WeakPolarHBondContact OG-CA 3.42Å; S46-T63 VanDerWaalsContact OG-CG2 3.24Å; S46-T63 WeakPolarHBondContact OG-CG2 3.48Å; S46-T63 PolarHBondContact OG-OG1 2.96Å; S46-F65 PolarHBondContact N-O 3.48Å; S46-I66 CarbonylContact O-C 3.57Å; S46-I66 VanDerWaalsContact O-CA 3.32Å; S46-I66 WeakPolarHBondContact O-CA 3.46Å; S46-F67 PolarHBondContact O-N 2.89Å
47L98.6Very high97.2Very high0 Ų018.8 Ų18.80%013%0.13CC..EExtended strand (participates in β ladder)trans-105.1121.6169-176.259.5000108G9 L10 N11 L49 F67 A119 L120 L123G9-L47 PolarHBondContact O-N 3.02Å; L10-L47 HydrophobicContact CD2-CB 3.86Å; L10-L47 HydrophobicContact CD2-CD2 3.9Å; L10-L47 HydrophobicContact CD2-CG 4.36Å; N11-L47 PolarHBondContact N-O 3.02Å; N11-L47 PolarHBondContact ND2-O 3.04Å; L47-L49 HydrophobicContact CD1-CD2 4.24Å; L47-L49 HydrophobicContact CD2-CD1 4.36Å; L47-L49 HydrophobicContact CD2-CD2 3.72Å; L47-L49 HydrophobicContact CD2-CG 4.2Å; L47-L49 HydrophobicContact CG-CD2 3.64Å; L47-L49 HydrophobicContact CG-CG 3.96Å; L47-F67 CarbonylContact C-O 3.48Å; L47-F67 WeakPolarHBondContact CA-O 3.37Å; L47-F67 HydrophobicContact CD1-CB 3.62Å; L47-A119 HydrophobicContact CD1-CB 3.91Å; L47-A119 HydrophobicContact CD2-CB 4.03Å; L47-L120 HydrophobicContact CD2-CD2 3.97Å; L47-L120 HydrophobicContact CD2-CG 4.5Å; L47-L123 HydrophobicContact CD2-CD2 4.41Å
48I98.6Very high97.2Very high0 Ų019.8 Ų19.80%013%0.128CC..EExtended strand (participates in β ladder)trans-97.6112.5178.3-41.9-56000107.1N11 G50 C52 P60 I66 F67 M68 V69 S73 L75N11-I48 HydrophobicContact CB-CD1 3.78Å; I48-G50 WeakPolarHBondContact CG2-O 3.33Å; I48-C52 HydrophobicContact CG2-CB 3.95Å; I48-P60 HydrophobicContact CD1-CB 4.09Å; I48-P60 HydrophobicContact CD1-CG 3.85Å; I48-I66 HydrophobicContact CD1-CG2 4.29Å; I48-I66 HydrophobicContact CG1-CG2 3.88Å; I48-F67 PolarHBondContact N-O 3.45Å; I48-M68 HydrophobicContact CB-CG 4.12Å; I48-M68 HydrophobicContact CG1-CG 4.11Å; I48-V69 PolarHBondContact O-N 3.4Å; I48-S73 VanDerWaalsContact O-CB 3.28Å; I48-S73 WeakPolarHBondContact O-CB 3.46Å; I48-S73 PolarHBondContact O-OG 3.04Å; I48-L75 HydrophobicContact CD1-CD2 4.23Å; I48-L75 HydrophobicContact CG1-CD1 3.97Å; I48-L75 HydrophobicContact CG1-CD2 4.36Å; I48-L75 HydrophobicContact CG1-CG 4.23Å; I48-L75 HydrophobicContact CG2-CG 4.35Å
49L98Very high97.2Very high30 Ų3020.4 Ų20.416%0.15713%0.132CC..EExtended strand (participates in β ladder)trans-109.5-1.2-175.4-63178.3000112.4L10 N11 L47 V69 D116L10-L49 HydrophobicContact CB-CD1 4.22Å; L10-L49 HydrophobicContact CD2-CD1 4.36Å; N11-L49 PolarHBondContact O-N 2.98Å; L47-L49 HydrophobicContact CD1-CD2 4.24Å; L47-L49 HydrophobicContact CD2-CD1 4.36Å; L47-L49 HydrophobicContact CD2-CD2 3.72Å; L47-L49 HydrophobicContact CD2-CG 4.2Å; L47-L49 HydrophobicContact CG-CD2 3.64Å; L47-L49 HydrophobicContact CG-CG 3.96Å; L49-V69 HydrophobicContact CD2-CG2 3.55Å; L49-D116 HydrophobicContact CD2-CB 4.49Å
50G97.6Very high97.2Very high3 Ų317.3 Ų17.33%0.03111%0.11CC..EExtended strand (participates in β ladder)trans-164.6-160.7-175.300000112.3N11 I48 C52 T72 S73 Y74N11-G50 PolarHBondContact O-N 3.31Å; I48-G50 WeakPolarHBondContact CG2-O 3.33Å; G50-C52 PolarHBondContact O-N 3.02Å; G50-T72 WeakPolarHBondContact CA-O 3.13Å; G50-S73 WeakPolarHBondContact O-CA 3.28Å; G50-Y74 PolarHBondContact O-N 3.26Å
51P95.7Very high97.2Very high37 Ų3718.6 Ų18.624%0.2412%0.119CC..EExtended strand (participates in β ladder)trans-50.2137.7168.8-18.519.8000112.2D12 S13 Y74D12-P51 VanDerWaalsContact OD1-CD 3.31Å; D12-P51 WeakPolarHBondContact OD1-CD 3.37Å; S13-P51 CarbonylContact C-O 3.45Å; S13-P51 PolarHBondContact N-O 3.5Å; S13-P51 CarbonylContact O-C 3.58Å; P51-Y74 VanDerWaalsContact CA-CE2 3.44Å; P51-Y74 HydrophobicContact CB-CD2 4.31Å; P51-Y74 HydrophobicContact CB-CE2 3.48Å; P51-Y74 VanDerWaalsContact CB-CE2 3.48Å; P51-Y74 HydrophobicContact CG-CE1 4.35Å; P51-Y74 HydrophobicContact CG-CE2 4.07Å; P51-Y74 WeakPolarHBondContact CG-OH 3.49Å
52C96.5Very high97.2Very high0 Ų019.5 Ų19.50%012%0.122CC..EExtended strand (participates in β ladder)trans-145.3101.5168.3-171.30000109.1S13 I48 G50 A56 V57 Y74 L75 F76S13-C52 WeakPolarHBondContact O-CA 3.36Å; I48-C52 HydrophobicContact CG2-CB 3.95Å; G50-C52 PolarHBondContact O-N 3.02Å; C52-A56 VanDerWaalsContact SG-C 3.57Å; C52-V57 WeakPolarHBondContact O-CG1 3.46Å; C52-Y74 WeakPolarHBondContact CB-O 3.41Å; C52-Y74 PolarHBondContact N-O 3.05Å; C52-L75 HydrophobicContact CB-CD2 3.52Å; C52-L75 HydrophobicContact CB-CG 4.3Å; C52-L75 WeakPolarHBondContact O-CA 2.99Å; C52-L75 WeakPolarHBondContact SG-CD2 3.3Å; C52-F76 PolarHBondContact O-N 3.24Å
53A94Very high97.2Very high19 Ų1919.5 Ų19.516%0.15712%0.122CC..EExtended strand (participates in β ladder)trans-122.5149.4-169.400000113.6G15 G55 A56 F76G15-A53 VanDerWaalsContact CA-O 3.29Å; G15-A53 WeakPolarHBondContact CA-O 3.44Å; A53-G55 PolarHBondContact O-N 2.87Å; A53-A56 WeakPolarHBondContact O-CB 3.03Å; A53-A56 PolarHBondContact O-N 3.13Å; A53-F76 CarbonylContact C-O 3.36Å; A53-F76 WeakPolarHBondContact CA-O 3.37Å; A53-F76 HydrophobicContact CB-CD2 4.08Å; A53-F76 HydrophobicContact CB-CE2 3.65Å; A53-F76 HydrophobicContact CB-CZ 4.48Å
54G93.3Very high97.2Very high23 Ų2320.4 Ų20.424%0.23713%0.127CC..G310 helixtrans62.7-127.9172.800000112.5A56 V57 F76 I77G54-A56 PolarHBondContact O-N 3.24Å; G54-A56 VanDerWaalsContact O-N 3.14Å; G54-V57 VanDerWaalsContact O-CG2 3.31Å; G54-V57 WeakPolarHBondContact O-CG2 3.49Å; G54-V57 PolarHBondContact O-N 2.67Å; G54-F76 PolarHBondContact N-O 2.93Å; G54-I77 VanDerWaalsContact CA-O 3.23Å; G54-I77 WeakPolarHBondContact CA-O 3.27Å; G54-I77 PolarHBondContact N-O 3.07Å
55G90.4Very high97.2Very high22 Ų2220.3 Ų20.323%0.22713%0.126CC..G310 helixtrans-59-25.1-179.600000114.2F32 A53 V57 Y58F32-G55 VanDerWaalsContact CZ-O 3.32Å; F32-G55 WeakPolarHBondContact CZ-O 3.29Å; A53-G55 PolarHBondContact O-N 2.87Å; G55-V57 PolarHBondContact O-N 3.4Å; G55-Y58 PolarHBondContact O-N 2.95Å
56A95.2Very high97.2Very high7 Ų720.3 Ų20.36%0.05813%0.126CC..G310 helixtrans-63.7-26.7-179.100000113.1Y28 C52 A53 G54 Y58 P60Y28-A56 HydrophobicContact CE1-CB 4.21Å; C52-A56 VanDerWaalsContact SG-C 3.57Å; A53-A56 WeakPolarHBondContact O-CB 3.03Å; A53-A56 PolarHBondContact O-N 3.13Å; G54-A56 PolarHBondContact O-N 3.24Å; G54-A56 VanDerWaalsContact O-N 3.14Å; A56-Y58 VanDerWaalsContact C-N 3.33Å; A56-Y58 PolarHBondContact O-N 2.8Å; A56-P60 WeakPolarHBondContact O-CD 3.28Å
57V97.4Very high97.2Very high16 Ų1620.1 Ų20.110%0.09713%0.125CC..G310 helixtrans-75-22.3-176.5-45.50000113.3C52 G54 G55 P60 A61 L75 F76 I77C52-V57 WeakPolarHBondContact O-CG1 3.46Å; G54-V57 VanDerWaalsContact O-CG2 3.31Å; G54-V57 WeakPolarHBondContact O-CG2 3.49Å; G54-V57 PolarHBondContact O-N 2.67Å; G55-V57 PolarHBondContact O-N 3.4Å; V57-P60 WeakPolarHBondContact O-CD 3.31Å; V57-A61 WeakPolarHBondContact O-CB 3.16Å; V57-A61 PolarHBondContact O-N 3.37Å; V57-L75 HydrophobicContact CB-CD2 3.91Å; V57-L75 HydrophobicContact CG1-CD2 3.76Å; V57-F76 WeakPolarHBondContact CG1-O 3.43Å; V57-I77 HydrophobicContact CG2-CG1 4Å
58Y97.8Very high97.2Very high106 Ų10620.1 Ų20.142%0.41613%0.125SC..Hα-helixtrans-74.9-30.2-175-71.4-54.9000113.2F32 G55 A56 A61 L62 I77F32-Y58 HydrophobicContact CZ-CD2 4.33Å; F32-Y58 HydrophobicContact CZ-CG 4.48Å; G55-Y58 PolarHBondContact O-N 2.95Å; A56-Y58 VanDerWaalsContact C-N 3.33Å; A56-Y58 PolarHBondContact O-N 2.8Å; Y58-A61 PolarHBondContact O-N 2.81Å; Y58-L62 VanDerWaalsContact O-CG 3.23Å; Y58-L62 WeakPolarHBondContact O-CG 3.44Å; Y58-L62 PolarHBondContact O-N 3.42Å; Y58-L62 VanDerWaalsContact O-N 3.16Å; Y58-I77 HydrophobicContact CE1-CD1 4.42Å
59S98.2Very high97.2Very high20 Ų2020.2 Ų20.214%0.1413%0.126CC..Hα-helixtrans-63.9-53.5173.71670000110.7N35 A61 L62 T63N35-S59 PolarHBondContact OD1-OG 3.12Å; S59-A61 VanDerWaalsContact C-N 3.29Å; S59-A61 PolarHBondContact O-N 2.74Å; S59-L62 PolarHBondContact O-N 2.98Å; S59-T63 WeakPolarHBondContact O-CG2 3.08Å; S59-T63 PolarHBondContact O-N 2.88Å
60P98.5Very high97.1Very high0 Ų021.5 Ų21.50%013%0.131CC..Hα-helixtrans-53.8-40.7170.2-27.835.5000114.3S46 I48 A56 V57 L62 T63 I66S46-P60 WeakPolarHBondContact OG-CA 3.42Å; I48-P60 HydrophobicContact CD1-CB 4.09Å; I48-P60 HydrophobicContact CD1-CG 3.85Å; A56-P60 WeakPolarHBondContact O-CD 3.28Å; V57-P60 WeakPolarHBondContact O-CD 3.31Å; P60-L62 PolarHBondContact O-N 3.5Å; P60-T63 PolarHBondContact O-N 2.79Å; P60-T63 VanDerWaalsContact O-N 3.12Å; P60-T63 PolarHBondContact O-OG1 3.38Å; P60-I66 VanDerWaalsContact C-CD1 3.49Å; P60-I66 HydrophobicContact CB-CD1 3.97Å; P60-I66 HydrophobicContact CB-CG1 4.2Å; P60-I66 WeakPolarHBondContact O-CD1 3.17Å; P60-I66 VanDerWaalsContact O-CG1 3.3Å; P60-I66 WeakPolarHBondContact O-CG1 3.29Å
61A98.2Very high97.1Very high46 Ų4627.5 Ų27.538%0.3816%0.162SC..Hα-helixtrans-59.8-29.1177.500000113.3V57 Y58 S59 R228V57-A61 WeakPolarHBondContact O-CB 3.16Å; V57-A61 PolarHBondContact O-N 3.37Å; Y58-A61 PolarHBondContact O-N 2.81Å; S59-A61 VanDerWaalsContact C-N 3.29Å; S59-A61 PolarHBondContact O-N 2.74Å; A61-R228 PolarHBondContact O-NH2 3.25Å
62L98.6Very high97.1Very high64 Ų6429 Ų2934%0.33517%0.171SC..Hα-helixtrans-89-12179-66.2169.5000113.9F32 N35 V36 Y58 S59 P60F32-L62 HydrophobicContact CB-CD1 3.9Å; F32-L62 HydrophobicContact CD1-CD1 4.29Å; F32-L62 HydrophobicContact CG-CD1 4.27Å; N35-L62 HydrophobicContact CB-CB 3.86Å; N35-L62 HydrophobicContact CB-CD1 4.26Å; V36-L62 HydrophobicContact CG2-CD1 4.33Å; V36-L62 HydrophobicContact CG2-CD2 4.3Å; Y58-L62 VanDerWaalsContact O-CG 3.23Å; Y58-L62 WeakPolarHBondContact O-CG 3.44Å; Y58-L62 PolarHBondContact O-N 3.42Å; Y58-L62 VanDerWaalsContact O-N 3.16Å; S59-L62 PolarHBondContact O-N 2.98Å; P60-L62 PolarHBondContact O-N 3.5Å
63T98.8Very high97.2Very high5 Ų529 Ų293%0.03117%0.171CC..SBendtrans-79.3170.2175.366.60000111.5Q44 S46 S59 P60 F65 R228Q44-T63 HydrophobicContact CB-CG2 3.8Å; Q44-T63 WeakPolarHBondContact O-CB 3.29Å; S46-T63 VanDerWaalsContact OG-CG2 3.24Å; S46-T63 WeakPolarHBondContact OG-CG2 3.48Å; S46-T63 PolarHBondContact OG-OG1 2.96Å; S59-T63 WeakPolarHBondContact O-CG2 3.08Å; S59-T63 PolarHBondContact O-N 2.88Å; P60-T63 PolarHBondContact O-N 2.79Å; P60-T63 VanDerWaalsContact O-N 3.12Å; P60-T63 PolarHBondContact O-OG1 3.38Å; T63-F65 PolarHBondContact OG1-O 2.95Å; T63-R228 PolarHBondContact O-NH2 2.83Å
64D98.8Very high97.3Very high18 Ų1830.2 Ų30.210%0.09617%0.172CC..SBendtrans-75.5-41.5-174.6-56.7-56.6000111.5P43 Q44 H110 F232P43-D64 WeakPolarHBondContact CA-OD2 3.49Å; Q44-D64 PolarHBondContact N-OD2 3.32Å; Q44-D64 WeakPolarHBondContact O-CB 3.47Å; Q44-D64 PolarHBondContact O-N 3.18Å; D64-H110 PolarHBondContact O-NE2 2.71Å; D64-F232 HydrophobicContact CB-CD2 3.7Å; D64-F232 HydrophobicContact CB-CE2 3.7Å
65F98.8Very high97.5Very high5 Ų529.5 Ų29.52%0.02216%0.162CC..EExtended strand (participates in β ladder)trans-134.6139.7-179.8-58.9-77.4000112.2Q44 I45 S46 T63 F67 H110 F126 I184 F232Q44-F65 PolarHBondContact O-N 3.3Å; I45-F65 HydrophobicContact CG2-CB 4.46Å; S46-F65 PolarHBondContact N-O 3.48Å; T63-F65 PolarHBondContact OG1-O 2.95Å; F65-F67 HydrophobicContact CB-CE2 4.36Å; F65-F67 HydrophobicContact CB-CZ 4.15Å; F65-H110 HydrophobicContact CD1-CB 4.31Å; F65-H110 AromaticContact CD1-CD2 3.64Å; F65-H110 AromaticContact CD1-CG 3.9Å; F65-F126 HydrophobicContact CD1-CZ 4.29Å; F65-F126 AromaticContact CD2-CE1 3.73Å; F65-F126 HydrophobicContact CD2-CE1 3.73Å; F65-F126 AromaticContact CD2-CZ 3.43Å; F65-F126 HydrophobicContact CD2-CZ 3.43Å; F65-F126 VanDerWaalsContact CD2-CZ 3.43Å; F65-F126 HydrophobicContact CE1-CZ 4.39Å; F65-F126 HydrophobicContact CE2-CE1 4.17Å; F65-F126 AromaticContact CE2-CZ 3.51Å; F65-F126 HydrophobicContact CE2-CZ 3.51Å; F65-F126 HydrophobicContact CG-CE1 4.2Å; F65-F126 AromaticContact CG-CZ 3.83Å; F65-F126 HydrophobicContact CG-CZ 3.83Å; F65-F126 HydrophobicContact CZ-CZ 4Å; F65-I184 HydrophobicContact CD1-CD1 4.41Å; F65-I184 HydrophobicContact CD1-CG2 4.4Å; F65-I184 HydrophobicContact CE1-CD1 3.67Å; F65-I184 HydrophobicContact CE1-CG2 4.15Å; F65-I184 HydrophobicContact CZ-CD1 4.11Å; F65-F232 HydrophobicContact CD2-CE2 4.39Å; F65-F232 AromaticContact CE2-CD1 3.93Å; F65-F232 HydrophobicContact CE2-CD1 3.93Å; F65-F232 AromaticContact CE2-CD2 3.8Å; F65-F232 HydrophobicContact CE2-CD2 3.8Å; F65-F232 AromaticContact CE2-CE1 3.64Å; F65-F232 HydrophobicContact CE2-CE1 3.64Å; F65-F232 AromaticContact CE2-CE2 3.49Å; F65-F232 HydrophobicContact CE2-CE2 3.49Å; F65-F232 VanDerWaalsContact CE2-CE2 3.49Å; F65-F232 HydrophobicContact CE2-CG 4.02Å; F65-F232 AromaticContact CE2-CZ 3.44Å; F65-F232 HydrophobicContact CE2-CZ 3.44Å; F65-F232 VanDerWaalsContact CE2-CZ 3.44Å; F65-F232 AromaticContact CZ-CD1 3.64Å; F65-F232 HydrophobicContact CZ-CD1 3.64Å; F65-F232 HydrophobicContact CZ-CD2 4.07Å; F65-F232 AromaticContact CZ-CE1 3.74Å; F65-F232 HydrophobicContact CZ-CE1 3.74Å; F65-F232 HydrophobicContact CZ-CE2 4.16Å; F65-F232 AromaticContact CZ-CG 3.83Å; F65-F232 HydrophobicContact CZ-CG 3.83Å; F65-F232 HydrophobicContact CZ-CZ 4.03Å
66I98.8Very high97.7Very high2 Ų229.6 Ų29.61%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-118.7118.1175.6-52.5178.8000107.5S46 I48 P60 L75 V108 H110S46-I66 CarbonylContact O-C 3.57Å; S46-I66 VanDerWaalsContact O-CA 3.32Å; S46-I66 WeakPolarHBondContact O-CA 3.46Å; I48-I66 HydrophobicContact CD1-CG2 4.29Å; I48-I66 HydrophobicContact CG1-CG2 3.88Å; P60-I66 VanDerWaalsContact C-CD1 3.49Å; P60-I66 HydrophobicContact CB-CD1 3.97Å; P60-I66 HydrophobicContact CB-CG1 4.2Å; P60-I66 WeakPolarHBondContact O-CD1 3.17Å; P60-I66 VanDerWaalsContact O-CG1 3.3Å; P60-I66 WeakPolarHBondContact O-CG1 3.29Å; I66-L75 HydrophobicContact CG2-CD1 4.09Å; I66-V108 HydrophobicContact CD1-CG1 3.85Å; I66-H110 PolarHBondContact N-ND1 3.21Å; I66-H110 WeakPolarHBondContact O-CB 3.47Å; I66-H110 PolarHBondContact O-N 3.01Å; I66-H110 PolarHBondContact O-ND1 2.97Å
67F98.7Very high97.8Very high0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-111.9147.7171.4-61-46.5000110.1I45 S46 L47 I48 F65 H110 R111 F113 L123 F126 F182I45-F67 HydrophobicContact CG2-CD2 3.97Å; I45-F67 HydrophobicContact CG2-CE2 4.03Å; S46-F67 PolarHBondContact O-N 2.89Å; L47-F67 CarbonylContact C-O 3.48Å; L47-F67 WeakPolarHBondContact CA-O 3.37Å; L47-F67 HydrophobicContact CD1-CB 3.62Å; I48-F67 PolarHBondContact N-O 3.45Å; F65-F67 HydrophobicContact CB-CE2 4.36Å; F65-F67 HydrophobicContact CB-CZ 4.15Å; F67-H110 HydrophobicContact CD1-CB 4.25Å; F67-H110 HydrophobicContact CE1-CB 3.98Å; F67-R111 WeakPolarHBondContact CA-O 3.06Å; F67-R111 HydrophobicContact CD1-CB 3.57Å; F67-R111 HydrophobicContact CE1-CB 3.77Å; F67-F113 HydrophobicContact CB-CD2 4.24Å; F67-F113 HydrophobicContact CB-CE2 3.68Å; F67-F113 HydrophobicContact CD1-CE2 4.15Å; F67-F113 HydrophobicContact CD1-CZ 4.44Å; F67-F113 HydrophobicContact CD2-CE2 4.2Å; F67-F113 AromaticContact CG-CE2 3.76Å; F67-F113 HydrophobicContact CG-CE2 3.76Å; F67-F113 HydrophobicContact CG-CZ 4.37Å; F67-L123 HydrophobicContact CD2-CD1 4.33Å; F67-L123 HydrophobicContact CE2-CD1 4.25Å; F67-F126 AromaticContact CE2-CD1 3.88Å; F67-F126 HydrophobicContact CE2-CD1 3.88Å; F67-F126 HydrophobicContact CE2-CE1 4.13Å; F67-F126 HydrophobicContact CE2-CG 4.19Å; F67-F126 HydrophobicContact CZ-CD1 4.18Å; F67-F126 HydrophobicContact CZ-CD2 4.31Å; F67-F126 HydrophobicContact CZ-CE1 4.21Å; F67-F126 HydrophobicContact CZ-CE2 4.34Å; F67-F126 HydrophobicContact CZ-CG 4.22Å; F67-F126 HydrophobicContact CZ-CZ 4.3Å; F67-F182 HydrophobicContact CE1-CE1 4.27Å; F67-F182 HydrophobicContact CE1-CZ 4.47Å; F67-F182 AromaticContact CZ-CE1 3.95Å; F67-F182 HydrophobicContact CZ-CE1 3.95Å; F67-F182 HydrophobicContact CZ-CZ 4.07Å
68M98.7Very high97.5Very high0 Ų036.2 Ų36.20%019%0.192CC..EExtended strand (participates in β ladder)trans-127.4161.9-177.9-65.1-171.771.900110.6I48 L75 A99 H102 A109 R111 A112 F113I48-M68 HydrophobicContact CB-CG 4.12Å; I48-M68 HydrophobicContact CG1-CG 4.11Å; M68-L75 HydrophobicContact CE-CD1 4.31Å; M68-L75 HydrophobicContact CE-CG 4.35Å; M68-L75 HydrophobicContact SD-CD1 3.99Å; M68-A99 HydrophobicContact CB-CB 3.99Å; M68-A99 HydrophobicContact CE-CB 4.36Å; M68-H102 HydrophobicContact SD-CB 3.78Å; M68-A109 HydrophobicContact CG-CB 3.91Å; M68-A109 HydrophobicContact SD-CB 3.65Å; M68-R111 PolarHBondContact N-O 2.7Å; M68-A112 HydrophobicContact CB-CB 4.5Å; M68-A112 CarbonylContact O-C 3.56Å; M68-A112 VanDerWaalsContact O-CA 3.23Å; M68-A112 WeakPolarHBondContact O-CA 3.45Å; M68-F113 PolarHBondContact O-N 3.11Å
69V98.6Very high97.2Very high1 Ų132.1 Ų32.11%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-108.2134.2169.4179.20000109.3I48 L49 T72 S73 F113 A119I48-V69 PolarHBondContact O-N 3.4Å; L49-V69 HydrophobicContact CD2-CG2 3.55Å; V69-T72 VanDerWaalsContact CG1-OG1 3.25Å; V69-T72 WeakPolarHBondContact CG1-OG1 3.35Å; V69-S73 PolarHBondContact N-OG 2.85Å; V69-S73 WeakPolarHBondContact O-CB 3.4Å; V69-S73 PolarHBondContact O-N 2.74Å; V69-S73 PolarHBondContact O-OG 3.35Å; V69-F113 WeakPolarHBondContact CA-O 3.45Å; V69-A119 HydrophobicContact CG2-CB 3.86Å
70H97.4Very high97Very high57 Ų5732 Ų3226%0.26418%0.181SC..THydrogen-bonded Turntrans-59142177.8-75.9-61.5000111.4T72 A112 F113H70-T72 PolarHBondContact O-N 3.12Å; H70-A112 WeakPolarHBondContact CE1-CB 3.3Å; H70-A112 WeakPolarHBondContact NE2-CB 3.34Å; H70-F113 PolarHBondContact CD2-O 2.91Å; H70-F113 VanDerWaalsContact CD2-O 3.26Å; H70-F113 PolarHBondContact N-O 2.86Å
71D96Very high96.7Very high129 Ų12938.6 Ų38.669%0.6922%0.216SC*.THydrogen-bonded Turntrans62-13172-50.4-37000117.2
72T96.8Very high96.5Very high70 Ų7040 Ų4043%0.42922%0.22SC..THydrogen-bonded Turntrans-111.4-17.2-17963.10000113.6G50 V69 H70G50-T72 WeakPolarHBondContact CA-O 3.13Å; V69-T72 VanDerWaalsContact CG1-OG1 3.25Å; V69-T72 WeakPolarHBondContact CG1-OG1 3.35Å; H70-T72 PolarHBondContact O-N 3.12Å
73S97.3Very high96.3Very high0 Ų038 Ų380%021%0.211CC..  trans-121.4145-173.775.90000113.5I48 G50 V69I48-S73 VanDerWaalsContact O-CB 3.28Å; I48-S73 WeakPolarHBondContact O-CB 3.46Å; I48-S73 PolarHBondContact O-OG 3.04Å; G50-S73 WeakPolarHBondContact O-CA 3.28Å; V69-S73 PolarHBondContact N-OG 2.85Å; V69-S73 WeakPolarHBondContact O-CB 3.4Å; V69-S73 PolarHBondContact O-N 2.74Å; V69-S73 PolarHBondContact O-OG 3.35Å
74Y96.7Very high96.1Very high44 Ų4442 Ų4217%0.17323%0.227CC..EExtended strand (participates in β ladder)trans-152.4149.1177.344.7-96.7000113.1G50 P51 C52 F76 Q93 G97G50-Y74 PolarHBondContact O-N 3.26Å; P51-Y74 VanDerWaalsContact CA-CE2 3.44Å; P51-Y74 HydrophobicContact CB-CD2 4.31Å; P51-Y74 HydrophobicContact CB-CE2 3.48Å; P51-Y74 VanDerWaalsContact CB-CE2 3.48Å; P51-Y74 HydrophobicContact CG-CE1 4.35Å; P51-Y74 HydrophobicContact CG-CE2 4.07Å; P51-Y74 WeakPolarHBondContact CG-OH 3.49Å; C52-Y74 WeakPolarHBondContact CB-O 3.41Å; C52-Y74 PolarHBondContact N-O 3.05Å; Y74-F76 HydrophobicContact CD2-CD1 4.18Å; Y74-F76 AromaticContact CD2-CE1 3.28Å; Y74-F76 HydrophobicContact CD2-CE1 3.28Å; Y74-F76 AromaticContact CD2-CZ 3.66Å; Y74-F76 HydrophobicContact CD2-CZ 3.66Å; Y74-F76 AromaticContact CE2-CE1 3.84Å; Y74-F76 HydrophobicContact CE2-CE1 3.84Å; Y74-F76 AromaticContact CE2-CZ 3.76Å; Y74-F76 HydrophobicContact CE2-CZ 3.76Å; Y74-F76 HydrophobicContact CG-CE1 4.06Å; Y74-Q93 HydrophobicContact CD1-CB 4.49Å; Y74-Q93 PolarHBondContact OH-OE1 2.89Å; Y74-G97 CarbonylContact C-O 3.35Å; Y74-G97 WeakPolarHBondContact CA-O 3.3Å; Y74-G97 VanDerWaalsContact CB-O 3.32Å; Y74-G97 WeakPolarHBondContact CB-O 3.47Å
75L97.1Very high95.9Very high7 Ų745.6 Ų45.64%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-124.3127178.6-77.2163.3000110.4I48 C52 V57 I66 M68 G97 H102 V108I48-L75 HydrophobicContact CD1-CD2 4.23Å; I48-L75 HydrophobicContact CG1-CD1 3.97Å; I48-L75 HydrophobicContact CG1-CD2 4.36Å; I48-L75 HydrophobicContact CG1-CG 4.23Å; I48-L75 HydrophobicContact CG2-CG 4.35Å; C52-L75 HydrophobicContact CB-CD2 3.52Å; C52-L75 HydrophobicContact CB-CG 4.3Å; C52-L75 WeakPolarHBondContact O-CA 2.99Å; C52-L75 WeakPolarHBondContact SG-CD2 3.3Å; V57-L75 HydrophobicContact CB-CD2 3.91Å; V57-L75 HydrophobicContact CG1-CD2 3.76Å; I66-L75 HydrophobicContact CG2-CD1 4.09Å; M68-L75 HydrophobicContact CE-CD1 4.31Å; M68-L75 HydrophobicContact CE-CG 4.35Å; M68-L75 HydrophobicContact SD-CD1 3.99Å; L75-G97 PolarHBondContact N-O 2.96Å; L75-G97 VanDerWaalsContact O-CA 3.23Å; L75-G97 WeakPolarHBondContact O-CA 3.46Å; L75-H102 WeakPolarHBondContact CB-NE2 3.46Å; L75-H102 PolarHBondContact O-NE2 3.41Å; L75-V108 HydrophobicContact CD1-CG1 4.18Å
76F96.4Very high95.8Very high24 Ų2450.7 Ų50.711%0.10529%0.285CS..EExtended strand (participates in β ladder)trans-158.3150.6166.942.5-105.3000112C52 A53 G54 V57 Y74 G79 Q93 L96C52-F76 PolarHBondContact O-N 3.24Å; A53-F76 CarbonylContact C-O 3.36Å; A53-F76 WeakPolarHBondContact CA-O 3.37Å; A53-F76 HydrophobicContact CB-CD2 4.08Å; A53-F76 HydrophobicContact CB-CE2 3.65Å; A53-F76 HydrophobicContact CB-CZ 4.48Å; G54-F76 PolarHBondContact N-O 2.93Å; V57-F76 WeakPolarHBondContact CG1-O 3.43Å; Y74-F76 HydrophobicContact CD2-CD1 4.18Å; Y74-F76 AromaticContact CD2-CE1 3.28Å; Y74-F76 HydrophobicContact CD2-CE1 3.28Å; Y74-F76 AromaticContact CD2-CZ 3.66Å; Y74-F76 HydrophobicContact CD2-CZ 3.66Å; Y74-F76 AromaticContact CE2-CE1 3.84Å; Y74-F76 HydrophobicContact CE2-CE1 3.84Å; Y74-F76 AromaticContact CE2-CZ 3.76Å; Y74-F76 HydrophobicContact CE2-CZ 3.76Å; Y74-F76 HydrophobicContact CG-CE1 4.06Å; F76-G79 VanDerWaalsContact CE2-CA 3.45Å; F76-Q93 HydrophobicContact CE1-CB 4.35Å; F76-Q93 HydrophobicContact CE1-CG 4.27Å; F76-Q93 HydrophobicContact CZ-CG 4.45Å; F76-L96 HydrophobicContact CB-CD2 4.14Å; F76-L96 HydrophobicContact CB-CG 4.28Å; F76-L96 HydrophobicContact CD1-CD2 4.15Å; F76-L96 HydrophobicContact CD1-CG 4.43Å; F76-L96 HydrophobicContact CG-CD2 4.11Å
77I95.4Very high95.6Very high99 Ų9953.9 Ų53.951%0.50831%0.305SS..SBendtrans-70.4-45.9173.5-64171.6000109.8G54 V57 Y58G54-I77 VanDerWaalsContact CA-O 3.23Å; G54-I77 WeakPolarHBondContact CA-O 3.27Å; G54-I77 PolarHBondContact N-O 3.07Å; V57-I77 HydrophobicContact CG2-CG1 4Å; Y58-I77 HydrophobicContact CE1-CD1 4.42Å
78T92.5Very high95.3Very high63 Ų6360.9 Ų60.939%0.38734%0.342SS..SBendtrans-124.3126.8-174.2-61.20000108.4V82 V83 L96T78-V82 HydrophobicContact CG2-CB 3.42Å; T78-V82 VanDerWaalsContact CG2-CB 3.42Å; T78-V82 HydrophobicContact CG2-CG1 3.33Å; T78-V82 HydrophobicContact CG2-CG2 4.4Å; T78-V83 HydrophobicContact CG2-CG2 4.2Å; T78-L96 WeakPolarHBondContact O-CD2 3.43Å
79G92.1Very high95.1Very high21 Ų2166.5 Ų66.522%0.21637%0.368CS..  trans-68.7159.4-178.300000113.2F76 D81 V82 V83F76-G79 VanDerWaalsContact CE2-CA 3.45Å; G79-D81 VanDerWaalsContact C-N 3.29Å; G79-D81 PolarHBondContact O-N 3.14Å; G79-V82 PolarHBondContact O-N 2.86Å; G79-V83 PolarHBondContact O-N 2.78Å; G79-V83 VanDerWaalsContact O-N 3.11Å
80P93.2Very high94.9Very high16 Ų1672.4 Ų72.410%0.10440%0.4CS..Hα-helixtrans-56.2-37.4-175.3-26.433.4000114.9V82 V83 K84 V91 Q93 L96P80-V82 VanDerWaalsContact C-N 3.25Å; P80-V82 PolarHBondContact O-N 3.45Å; P80-V83 WeakPolarHBondContact O-CB 3.12Å; P80-V83 PolarHBondContact O-N 2.85Å; P80-K84 WeakPolarHBondContact O-CB 3.26Å; P80-K84 PolarHBondContact O-N 2.77Å; P80-V91 HydrophobicContact CB-CG1 4.26Å; P80-V91 VanDerWaalsContact CB-O 3.31Å; P80-V91 WeakPolarHBondContact CB-O 3.4Å; P80-Q93 HydrophobicContact CG-CB 4.46Å; P80-Q93 HydrophobicContact CG-CG 3.78Å; P80-L96 HydrophobicContact CB-CD2 4.41Å; P80-L96 HydrophobicContact CG-CD2 3.79Å
81D92.6Very high94.7Very high139 Ų13971.3 Ų71.374%0.74340%0.397SS*.Hα-helixtrans-60.7-38.2178.6-61.7-36000111.9G79 S85G79-D81 VanDerWaalsContact C-N 3.29Å; G79-D81 PolarHBondContact O-N 3.14Å; D81-S85 WeakPolarHBondContact O-CB 3.32Å; D81-S85 PolarHBondContact O-N 3.03Å
82V92.3Very high94.7Very high76 Ų7668.8 Ų68.846%0.46139%0.387SS..Hα-helixtrans-74.8-40.3178.4179.70000110.2T78 G79 P80 K84 S85 V86T78-V82 HydrophobicContact CG2-CB 3.42Å; T78-V82 VanDerWaalsContact CG2-CB 3.42Å; T78-V82 HydrophobicContact CG2-CG1 3.33Å; T78-V82 HydrophobicContact CG2-CG2 4.4Å; G79-V82 PolarHBondContact O-N 2.86Å; P80-V82 VanDerWaalsContact C-N 3.25Å; P80-V82 PolarHBondContact O-N 3.45Å; V82-K84 VanDerWaalsContact C-N 3.35Å; V82-K84 PolarHBondContact O-N 2.87Å; V82-S85 WeakPolarHBondContact CA-OG 3.49Å; V82-S85 PolarHBondContact O-N 2.94Å; V82-S85 PolarHBondContact O-OG 3.35Å; V82-V86 HydrophobicContact CG1-CG2 4.39Å; V82-V86 WeakPolarHBondContact O-CG2 3.45Å; V82-V86 PolarHBondContact O-N 3.27Å; V82-V86 VanDerWaalsContact O-N 3.12Å
83V94.5Very high94.5Very high23 Ų2369.7 Ų69.714%0.13939%0.386CS..Hα-helixtrans-54.8-52.8172.6174.50000109.9T78 G79 P80 S85 V86 T87 E89 V91 L96T78-V83 HydrophobicContact CG2-CG2 4.2Å; G79-V83 PolarHBondContact O-N 2.78Å; G79-V83 VanDerWaalsContact O-N 3.11Å; P80-V83 WeakPolarHBondContact O-CB 3.12Å; P80-V83 PolarHBondContact O-N 2.85Å; V83-S85 VanDerWaalsContact C-N 3.32Å; V83-S85 PolarHBondContact O-N 2.78Å; V83-V86 PolarHBondContact O-N 3.46Å; V83-T87 WeakPolarHBondContact CG1-OG1 3.23Å; V83-T87 PolarHBondContact O-N 2.86Å; V83-T87 PolarHBondContact O-OG1 2.88Å; V83-E89 HydrophobicContact CG1-CB 4.31Å; V83-V91 HydrophobicContact CG1-CG1 4.33Å; V83-L96 HydrophobicContact CG2-CD2 4.2Å
84K95Very high94.4Very high88 Ų8872.7 Ų72.738%0.38340%0.4SS..Hα-helixtrans-56.4-43.8177.4-174.2170.8-171.6159.80112.9P80 V82 V86 N88 E89 D90P80-K84 WeakPolarHBondContact O-CB 3.26Å; P80-K84 PolarHBondContact O-N 2.77Å; V82-K84 VanDerWaalsContact C-N 3.35Å; V82-K84 PolarHBondContact O-N 2.87Å; K84-V86 PolarHBondContact O-N 3.39Å; K84-N88 WeakPolarHBondContact O-CA 3.46Å; K84-N88 PolarHBondContact O-N 3.44Å; K84-E89 VanDerWaalsContact CA-O 3.24Å; K84-E89 WeakPolarHBondContact CA-O 3.28Å; K84-E89 WeakPolarHBondContact CB-O 3.47Å; K84-D90 IonicContact NZ-OD1 2.74Å; K84-D90 PolarHBondContact NZ-OD1 3.2Å; K84-D90 IonicContact NZ-OD2 2.93Å; K84-D90 PolarHBondContact NZ-OD2 2.9Å
85S95.2Very high94.3Very high93 Ų9376.1 Ų76.165%0.6542%0.418SS*.Hα-helixtrans-65.5-26.3179.973.90000114D81 V82 V83D81-S85 WeakPolarHBondContact O-CB 3.32Å; D81-S85 PolarHBondContact O-N 3.03Å; V82-S85 WeakPolarHBondContact CA-OG 3.49Å; V82-S85 PolarHBondContact O-N 2.94Å; V82-S85 PolarHBondContact O-OG 3.35Å; V83-S85 VanDerWaalsContact C-N 3.32Å; V83-S85 PolarHBondContact O-N 2.78Å
86V96.3Very high94.3Very high113 Ų11378.2 Ų78.269%0.68543%0.429SS*.Hα-helixtrans-101.9-44.2-173.7175.50000112.5V82 V83 K84V82-V86 HydrophobicContact CG1-CG2 4.39Å; V82-V86 WeakPolarHBondContact O-CG2 3.45Å; V82-V86 PolarHBondContact O-N 3.27Å; V82-V86 VanDerWaalsContact O-N 3.12Å; V83-V86 PolarHBondContact O-N 3.46Å; K84-V86 PolarHBondContact O-N 3.39Å
87T94.9Very high94.3Very high69 Ų6977.1 Ų77.142%0.42342%0.424SS..Hα-helixtrans-102.9-10.5-175.566.20000112.8V83 E89V83-T87 WeakPolarHBondContact CG1-OG1 3.23Å; V83-T87 PolarHBondContact O-N 2.86Å; V83-T87 PolarHBondContact O-OG1 2.88Å; T87-E89 PolarHBondContact O-N 3.48Å; T87-E89 WeakPolarHBondContact OG1-CB 3.38Å; T87-E89 WeakPolarHBondContact OG1-CG 3.26Å; T87-E89 PolarHBondContact OG1-N 3.03Å; T87-E89 PolarHBondContact OG1-OE2 3.34Å
88N92.7Very high94.4Very high146 Ų14672.4 Ų72.478%0.78140%0.4SS*.  trans60.720.4-171.9-155.747.7000113.3K84K84-N88 WeakPolarHBondContact O-CA 3.46Å; K84-N88 PolarHBondContact O-N 3.44Å
89E93.4Very high94.7Very high118 Ų11869.4 Ų69.455%0.55138%0.381SS*.  trans-88.5127.3174.1-64.7168158.500109.8V83 K84 T87V83-E89 HydrophobicContact CG1-CB 4.31Å; K84-E89 VanDerWaalsContact CA-O 3.24Å; K84-E89 WeakPolarHBondContact CA-O 3.28Å; K84-E89 WeakPolarHBondContact CB-O 3.47Å; T87-E89 PolarHBondContact O-N 3.48Å; T87-E89 WeakPolarHBondContact OG1-CB 3.38Å; T87-E89 WeakPolarHBondContact OG1-CG 3.26Å; T87-E89 PolarHBondContact OG1-N 3.03Å; T87-E89 PolarHBondContact OG1-OE2 3.34Å
90D94.3Very high94.9Very high125 Ų12575.2 Ų75.267%0.66840%0.4SS*.  trans-94.6115.1174.8-145.6-4.9000108.6K84K84-D90 IonicContact NZ-OD1 2.74Å; K84-D90 PolarHBondContact NZ-OD1 3.2Å; K84-D90 IonicContact NZ-OD2 2.93Å; K84-D90 PolarHBondContact NZ-OD2 2.9Å
91V95.1Very high95.1Very high35 Ų3575.7 Ų75.721%0.21240%0.403CS..  trans-142142.3-176.567.90000109.5P80 V83 E95 L96P80-V91 HydrophobicContact CB-CG1 4.26Å; P80-V91 VanDerWaalsContact CB-O 3.31Å; P80-V91 WeakPolarHBondContact CB-O 3.4Å; V83-V91 HydrophobicContact CG1-CG1 4.33Å; V91-E95 HydrophobicContact CG2-CB 3.47Å; V91-E95 VanDerWaalsContact CG2-CB 3.47Å; V91-L96 HydrophobicContact CG1-CB 4.16Å; V91-L96 HydrophobicContact CG1-CD1 4.37Å; V91-L96 HydrophobicContact CG1-CD2 4.45Å; V91-L96 HydrophobicContact CG2-CB 4.07Å
92T94.8Very high95.4Very high76 Ų7669.9 Ų69.947%0.46637%0.372SS..  trans-80.6165.317562.40000111.7E94 E95 L96T92-E94 VanDerWaalsContact C-N 3.29Å; T92-E94 PolarHBondContact O-N 3.43Å; T92-E95 WeakPolarHBondContact CB-OE2 3.04Å; T92-E95 WeakPolarHBondContact CG2-OE2 3.38Å; T92-E95 PolarHBondContact N-OE2 3.18Å; T92-E95 PolarHBondContact O-N 3.24Å; T92-E95 WeakPolarHBondContact OG1-CB 3.26Å; T92-E95 VanDerWaalsContact OG1-CD 3.24Å; T92-E95 WeakPolarHBondContact OG1-CG 3.09Å; T92-E95 PolarHBondContact OG1-N 3.12Å; T92-E95 PolarHBondContact OG1-OE2 3.23Å; T92-L96 VanDerWaalsContact O-CB 3.29Å; T92-L96 WeakPolarHBondContact O-CB 3.27Å; T92-L96 PolarHBondContact O-N 2.51Å
93Q93.5Very high95.7Very high89 Ų8966.8 Ų66.842%0.41635%0.353SS..Hα-helixtrans-59.3-40.6173.9-70.5179.8-11.900112Y74 F76 P80 L96 G97 G98Y74-Q93 HydrophobicContact CD1-CB 4.49Å; Y74-Q93 PolarHBondContact OH-OE1 2.89Å; F76-Q93 HydrophobicContact CE1-CB 4.35Å; F76-Q93 HydrophobicContact CE1-CG 4.27Å; F76-Q93 HydrophobicContact CZ-CG 4.45Å; P80-Q93 HydrophobicContact CG-CB 4.46Å; P80-Q93 HydrophobicContact CG-CG 3.78Å; Q93-L96 PolarHBondContact O-N 3.11Å; Q93-G97 PolarHBondContact O-N 2.79Å; Q93-G98 PolarHBondContact O-N 3.39Å
94E94.4Very high95.9Very high63 Ų6368 Ų6829%0.29436%0.36SS..Hα-helixtrans-68.4-42.4179.5-176.856.7-148.300111.7T92 G98 T101T92-E94 VanDerWaalsContact C-N 3.29Å; T92-E94 PolarHBondContact O-N 3.43Å; E94-G98 WeakPolarHBondContact O-CA 3.21Å; E94-G98 PolarHBondContact O-N 3.27Å; E94-G98 WeakPolarHBondContact OE1-CA 3.43Å; E94-G98 VanDerWaalsContact OE2-CA 3.31Å; E94-G98 WeakPolarHBondContact OE2-CA 3.34Å; E94-T101 PolarHBondContact O-OG1 3.48Å
95E95.5Very high96Very high115 Ų11569.6 Ų69.654%0.53737%0.372SS..Hα-helixtrans-65-42.5176-73.1164.4145.600111.8V91 T92 T101V91-E95 HydrophobicContact CG2-CB 3.47Å; V91-E95 VanDerWaalsContact CG2-CB 3.47Å; T92-E95 WeakPolarHBondContact CB-OE2 3.04Å; T92-E95 WeakPolarHBondContact CG2-OE2 3.38Å; T92-E95 PolarHBondContact N-OE2 3.18Å; T92-E95 PolarHBondContact O-N 3.24Å; T92-E95 WeakPolarHBondContact OG1-CB 3.26Å; T92-E95 VanDerWaalsContact OG1-CD 3.24Å; T92-E95 WeakPolarHBondContact OG1-CG 3.09Å; T92-E95 PolarHBondContact OG1-N 3.12Å; T92-E95 PolarHBondContact OG1-OE2 3.23Å; E95-T101 PolarHBondContact O-OG1 3.14Å
96L95.4Very high96.1Very high52 Ų5267.7 Ų67.727%0.27236%0.358SS..Hα-helixtrans-69.5-44.6-177.2-17861.5000112.7F76 T78 P80 V83 V91 T92 Q93F76-L96 HydrophobicContact CB-CD2 4.14Å; F76-L96 HydrophobicContact CB-CG 4.28Å; F76-L96 HydrophobicContact CD1-CD2 4.15Å; F76-L96 HydrophobicContact CD1-CG 4.43Å; F76-L96 HydrophobicContact CG-CD2 4.11Å; T78-L96 WeakPolarHBondContact O-CD2 3.43Å; P80-L96 HydrophobicContact CB-CD2 4.41Å; P80-L96 HydrophobicContact CG-CD2 3.79Å; V83-L96 HydrophobicContact CG2-CD2 4.2Å; V91-L96 HydrophobicContact CG1-CB 4.16Å; V91-L96 HydrophobicContact CG1-CD1 4.37Å; V91-L96 HydrophobicContact CG1-CD2 4.45Å; V91-L96 HydrophobicContact CG2-CB 4.07Å; T92-L96 VanDerWaalsContact O-CB 3.29Å; T92-L96 WeakPolarHBondContact O-CB 3.27Å; T92-L96 PolarHBondContact O-N 2.51Å; Q93-L96 PolarHBondContact O-N 3.11Å
97G97.3Very high96.2Very high0 Ų063 Ų630%033%0.333CS..Hα-helixtrans-149.117.1-16600000114.8Y74 L75 Q93 H102Y74-G97 CarbonylContact C-O 3.35Å; Y74-G97 WeakPolarHBondContact CA-O 3.3Å; Y74-G97 VanDerWaalsContact CB-O 3.32Å; Y74-G97 WeakPolarHBondContact CB-O 3.47Å; L75-G97 PolarHBondContact N-O 2.96Å; L75-G97 VanDerWaalsContact O-CA 3.23Å; L75-G97 WeakPolarHBondContact O-CA 3.46Å; Q93-G97 PolarHBondContact O-N 2.79Å; G97-H102 WeakPolarHBondContact CA-NE2 3.34Å; G97-H102 PolarHBondContact O-CD2 2.98Å; G97-H102 PolarHBondContact O-NE2 2.83Å
98G97.6Very high96.4Very high0 Ų062.2 Ų62.20%033%0.328CS..BIsolated β-bridgetrans-66.9167177.300000113.5Q93 E94 K100 T101 H102Q93-G98 PolarHBondContact O-N 3.39Å; E94-G98 WeakPolarHBondContact O-CA 3.21Å; E94-G98 PolarHBondContact O-N 3.27Å; E94-G98 WeakPolarHBondContact OE1-CA 3.43Å; E94-G98 VanDerWaalsContact OE2-CA 3.31Å; E94-G98 WeakPolarHBondContact OE2-CA 3.34Å; G98-K100 PolarHBondContact O-N 3.39Å; G98-T101 PolarHBondContact O-N 3.47Å; G98-T101 VanDerWaalsContact O-N 3.12Å; G98-H102 PolarHBondContact O-CD2 3.41Å; G98-H102 PolarHBondContact O-N 3.27Å; G98-H102 VanDerWaalsContact O-N 3.09Å
99A97.9Very high96.6Very high0 Ų055.3 Ų55.30%029%0.291CS..Hα-helixtrans-56.9-37.6-179.400000112.1M68 H102 T103 A112M68-A99 HydrophobicContact CB-CB 3.99Å; M68-A99 HydrophobicContact CE-CB 4.36Å; A99-H102 PolarHBondContact O-N 2.67Å; A99-T103 WeakPolarHBondContact O-CB 3.23Å; A99-T103 VanDerWaalsContact O-CG2 3.31Å; A99-T103 WeakPolarHBondContact O-CG2 3.32Å; A99-T103 PolarHBondContact O-N 3.23Å; A99-T103 PolarHBondContact O-OG1 3.35Å; A99-A112 HydrophobicContact CB-CB 3.93Å
100K97.5Very high96.9Very high143 Ų14350 Ų5062%0.62227%0.266SS*.Hα-helixtrans-64.2-47.5176.7-176.2177.5177.2-177.20111.5G98 H102 T103 T104G98-K100 PolarHBondContact O-N 3.39Å; K100-H102 VanDerWaalsContact C-N 3.3Å; K100-H102 PolarHBondContact O-N 3.22Å; K100-T103 PolarHBondContact O-N 3.03Å; K100-T103 PolarHBondContact O-OG1 3.35Å; K100-T104 HydrophobicContact CG-CG2 4.45Å; K100-T104 WeakPolarHBondContact O-CB 3.42Å; K100-T104 PolarHBondContact O-N 3.05Å; K100-T104 PolarHBondContact O-OG1 3.23Å
101T97.9Very high97.1Very high27 Ų2747.6 Ų47.617%0.16625%0.248CC..Hα-helixtrans-58.9-42.1179.1-63.10000111.3E94 E95 G98 I105 S106E94-T101 PolarHBondContact O-OG1 3.48Å; E95-T101 PolarHBondContact O-OG1 3.14Å; G98-T101 PolarHBondContact O-N 3.47Å; G98-T101 VanDerWaalsContact O-N 3.12Å; T101-I105 WeakPolarHBondContact O-CB 3.34Å; T101-I105 PolarHBondContact O-N 3.47Å; T101-S106 PolarHBondContact O-N 3.19Å; T101-S106 VanDerWaalsContact O-N 3.1Å
102H98.4Very high97.2Very high17 Ų1746.7 Ų46.78%0.07924%0.244CC..Hα-helixtrans-77.6-26.8-179.5-70.3-54.6000115.9M68 L75 G97 G98 A99 K100 S106 G107 V108 A109M68-H102 HydrophobicContact SD-CB 3.78Å; L75-H102 WeakPolarHBondContact CB-NE2 3.46Å; L75-H102 PolarHBondContact O-NE2 3.41Å; G97-H102 WeakPolarHBondContact CA-NE2 3.34Å; G97-H102 PolarHBondContact O-CD2 2.98Å; G97-H102 PolarHBondContact O-NE2 2.83Å; G98-H102 PolarHBondContact O-CD2 3.41Å; G98-H102 PolarHBondContact O-N 3.27Å; G98-H102 VanDerWaalsContact O-N 3.09Å; A99-H102 PolarHBondContact O-N 2.67Å; K100-H102 VanDerWaalsContact C-N 3.3Å; K100-H102 PolarHBondContact O-N 3.22Å; H102-S106 WeakPolarHBondContact CA-OG 3.33Å; H102-S106 PolarHBondContact ND1-OG 2.95Å; H102-G107 WeakPolarHBondContact O-CA 3.35Å; H102-G107 PolarHBondContact O-N 3.3Å; H102-V108 HydrophobicContact CB-CB 4.28Å; H102-V108 PolarHBondContact O-N 3.05Å; H102-A109 HydrophobicContact CB-CB 3.59Å; H102-A109 PolarHBondContact O-N 2.99Å; H102-A109 VanDerWaalsContact O-N 3.15Å
103T98.4Very high97.4Very high11 Ų1143.3 Ų43.37%0.06722%0.223CC..Hα-helixtrans-91.4-12.3178.954.40000114.2A99 K100 A109 A112 M187 Y188A99-T103 WeakPolarHBondContact O-CB 3.23Å; A99-T103 VanDerWaalsContact O-CG2 3.31Å; A99-T103 WeakPolarHBondContact O-CG2 3.32Å; A99-T103 PolarHBondContact O-N 3.23Å; A99-T103 PolarHBondContact O-OG1 3.35Å; K100-T103 PolarHBondContact O-N 3.03Å; K100-T103 PolarHBondContact O-OG1 3.35Å; T103-A109 HydrophobicContact CG2-CB 3.7Å; T103-A112 HydrophobicContact CG2-CB 3.83Å; T103-M187 CarbonylContact O-C 3.53Å; T103-M187 WeakPolarHBondContact O-CB 3.44Å; T103-Y188 WeakPolarHBondContact O-CB 3.23Å; T103-Y188 PolarHBondContact O-N 2.95Å
104T98Very high97.6Very high48 Ų4845.3 Ų45.329%0.29423%0.232SC..Hα-helixtrans-121.8-35-176.761.70000114.5K100 M187K100-T104 HydrophobicContact CG-CG2 4.45Å; K100-T104 WeakPolarHBondContact O-CB 3.42Å; K100-T104 PolarHBondContact O-N 3.05Å; K100-T104 PolarHBondContact O-OG1 3.23Å; T104-M187 HydrophobicContact CG2-CB 3.85Å
105I97.7Very high97.8Very high122 Ų12245.7 Ų45.763%0.62624%0.236SC*.THydrogen-bonded Turntrans-107.8-58.9-171.6-58.6172.3000111.3T101 Y188T101-I105 WeakPolarHBondContact O-CB 3.34Å; T101-I105 PolarHBondContact O-N 3.47Å; I105-Y188 WeakPolarHBondContact O-CE2 3.29Å
106S97.7Very high97.9Very high52 Ų5243.5 Ų43.536%0.36423%0.228SC..SBendtrans-84.6-21.8-172.961.30000114T101 H102 V108T101-S106 PolarHBondContact O-N 3.19Å; T101-S106 VanDerWaalsContact O-N 3.1Å; H102-S106 WeakPolarHBondContact CA-OG 3.33Å; H102-S106 PolarHBondContact ND1-OG 2.95Å; S106-V108 PolarHBondContact O-N 3.1Å
107G97.7Very high98.1Very high14 Ų1445.7 Ų45.714%0.14424%0.244CC..  trans68.318-177.900000114.1H102 M185H102-G107 WeakPolarHBondContact O-CA 3.35Å; H102-G107 PolarHBondContact O-N 3.3Å; G107-M185 WeakPolarHBondContact O-CE 3.39Å
108V98.4Very high98.1Very high54 Ų5448.5 Ų48.533%0.32726%0.259SS..  trans-71.6-43.4175.9172.70000110.6I66 L75 H102 S106I66-V108 HydrophobicContact CD1-CG1 3.85Å; L75-V108 HydrophobicContact CD1-CG1 4.18Å; H102-V108 HydrophobicContact CB-CB 4.28Å; H102-V108 PolarHBondContact O-N 3.05Å; S106-V108 PolarHBondContact O-N 3.1Å
109A98.5Very high98.1Very high0 Ų048.5 Ų48.50%026%0.259CS..  trans-90.9138-179.400000111M68 H102 T103M68-A109 HydrophobicContact CG-CB 3.91Å; M68-A109 HydrophobicContact SD-CB 3.65Å; H102-A109 HydrophobicContact CB-CB 3.59Å; H102-A109 PolarHBondContact O-N 2.99Å; H102-A109 VanDerWaalsContact O-N 3.15Å; T103-A109 HydrophobicContact CG2-CB 3.7Å
110H98.7Very high98.2Very high8 Ų852.1 Ų52.14%0.03728%0.278CS..SBendtrans-87.1-29.5-177.8-61.777.2000111.8D64 F65 I66 F67 I184 M185D64-H110 PolarHBondContact O-NE2 2.71Å; F65-H110 HydrophobicContact CD1-CB 4.31Å; F65-H110 AromaticContact CD1-CD2 3.64Å; F65-H110 AromaticContact CD1-CG 3.9Å; I66-H110 PolarHBondContact N-ND1 3.21Å; I66-H110 WeakPolarHBondContact O-CB 3.47Å; I66-H110 PolarHBondContact O-N 3.01Å; I66-H110 PolarHBondContact O-ND1 2.97Å; F67-H110 HydrophobicContact CD1-CB 4.25Å; F67-H110 HydrophobicContact CE1-CB 3.98Å; H110-I184 HydrophobicContact CB-CG2 4.18Å; H110-M185 HydrophobicContact CB-CG 4.23Å; H110-M185 WeakPolarHBondContact O-CA 3.26Å; H110-M185 PolarHBondContact O-N 2.95Å
111R98.2Very high98.2Very high73 Ų7350.6 Ų50.628%0.27528%0.276SS..EExtended strand (participates in β ladder)trans-163.1152.3174.6-161.5166.4176156.8-4.7109.8F67 M68 F113 E183F67-R111 WeakPolarHBondContact CA-O 3.06Å; F67-R111 HydrophobicContact CD1-CB 3.57Å; F67-R111 HydrophobicContact CE1-CB 3.77Å; M68-R111 PolarHBondContact N-O 2.7Å; R111-F113 HydrophobicContact CB-CZ 4.45Å; R111-F113 HydrophobicContact CG-CE1 4.24Å; R111-F113 HydrophobicContact CG-CZ 4.3Å; R111-E183 PolarHBondContact NH1-O 2.87Å
112A98.2Very high98.2Very high17 Ų1750.3 Ų50.314%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-117.2147.6168.500000109.6M68 H70 A99 T103M68-A112 HydrophobicContact CB-CB 4.5Å; M68-A112 CarbonylContact O-C 3.56Å; M68-A112 VanDerWaalsContact O-CA 3.23Å; M68-A112 WeakPolarHBondContact O-CA 3.45Å; H70-A112 WeakPolarHBondContact CE1-CB 3.3Å; H70-A112 WeakPolarHBondContact NE2-CB 3.34Å; A99-A112 HydrophobicContact CB-CB 3.93Å; T103-A112 HydrophobicContact CG2-CB 3.83Å
113F98.4Very high98.2Very high5 Ų549.9 Ų49.92%0.02227%0.273CS..EExtended strand (participates in β ladder)trans-120.1157.2-178.9-60.7-70.1000110.4F67 M68 V69 H70 R111 N115 A119 S122 F182F67-F113 HydrophobicContact CB-CD2 4.24Å; F67-F113 HydrophobicContact CB-CE2 3.68Å; F67-F113 HydrophobicContact CD1-CE2 4.15Å; F67-F113 HydrophobicContact CD1-CZ 4.44Å; F67-F113 HydrophobicContact CD2-CE2 4.2Å; F67-F113 AromaticContact CG-CE2 3.76Å; F67-F113 HydrophobicContact CG-CE2 3.76Å; F67-F113 HydrophobicContact CG-CZ 4.37Å; M68-F113 PolarHBondContact O-N 3.11Å; V69-F113 WeakPolarHBondContact CA-O 3.45Å; H70-F113 PolarHBondContact CD2-O 2.91Å; H70-F113 VanDerWaalsContact CD2-O 3.26Å; H70-F113 PolarHBondContact N-O 2.86Å; R111-F113 HydrophobicContact CB-CZ 4.45Å; R111-F113 HydrophobicContact CG-CE1 4.24Å; R111-F113 HydrophobicContact CG-CZ 4.3Å; F113-N115 VanDerWaalsContact C-N 3.34Å; F113-N115 PolarHBondContact O-N 2.97Å; F113-A119 HydrophobicContact CB-CB 3.83Å; F113-A119 HydrophobicContact CD2-CB 3.58Å; F113-A119 HydrophobicContact CE2-CB 4.4Å; F113-A119 HydrophobicContact CG-CB 3.93Å; F113-S122 WeakPolarHBondContact CE1-OG 3.23Å; F113-S122 VanDerWaalsContact CZ-CB 3.49Å; F113-F182 HydrophobicContact CZ-CZ 4.37Å
114E97.9Very high98.2Very high130 Ų13058.4 Ų58.461%0.60730%0.304SS*.SBendtrans-68.1-35.7-172.9-169.963.4-165.800112.5D118E114-D118 PolarHBondContact N-OD2 2.97Å
115N98.3Very high98.2Very high72 Ų7260.4 Ų60.439%0.38531%0.309SS..SBendtrans-159170.8-178.655.771.5000110.7F113 V117 D118 A119F113-N115 VanDerWaalsContact C-N 3.34Å; F113-N115 PolarHBondContact O-N 2.97Å; N115-V117 VanDerWaalsContact C-N 3.26Å; N115-V117 PolarHBondContact O-N 3.05Å; N115-V117 WeakPolarHBondContact OD1-CB 3.39Å; N115-V117 PolarHBondContact OD1-N 3.03Å; N115-V117 VanDerWaalsContact OD1-N 3.17Å; N115-D118 PolarHBondContact O-N 2.84Å; N115-D118 PolarHBondContact OD1-N 2.87Å; N115-A119 WeakPolarHBondContact O-CB 3.36Å; N115-A119 PolarHBondContact O-N 2.86Å
116D98.3Very high98.2Very high68 Ų6854.6 Ų54.636%0.36428%0.279SS..Hα-helixtrans-56.9-36.9-178.5-65.716.7000113.4L49 A119 L120L49-D116 HydrophobicContact CD2-CB 4.49Å; D116-A119 PolarHBondContact O-N 3.41Å; D116-L120 WeakPolarHBondContact O-CB 3.24Å; D116-L120 VanDerWaalsContact O-CG 3.27Å; D116-L120 WeakPolarHBondContact O-CG 3.24Å; D116-L120 PolarHBondContact O-N 2.88Å
117V98.5Very high98.2Very high99 Ų9954.7 Ų54.760%0.628%0.275SS*.Hα-helixtrans-68.1-48.6-179.3178.90000110.2N115 A119 L120 L121N115-V117 VanDerWaalsContact C-N 3.26Å; N115-V117 PolarHBondContact O-N 3.05Å; N115-V117 WeakPolarHBondContact OD1-CB 3.39Å; N115-V117 PolarHBondContact OD1-N 3.03Å; N115-V117 VanDerWaalsContact OD1-N 3.17Å; V117-A119 VanDerWaalsContact C-N 3.31Å; V117-A119 PolarHBondContact O-N 2.68Å; V117-L120 PolarHBondContact O-N 2.84Å; V117-L121 HydrophobicContact CG1-CD1 4.02Å; V117-L121 WeakPolarHBondContact O-CG 3.32Å; V117-L121 PolarHBondContact O-N 2.96Å
118D98.2Very high98.2Very high58 Ų5856.4 Ų56.431%0.3128%0.283SS..Hα-helixtrans-59.1-44.1174.6179.428.2000111E114 N115 L120 L121 S122E114-D118 PolarHBondContact N-OD2 2.97Å; N115-D118 PolarHBondContact O-N 2.84Å; N115-D118 PolarHBondContact OD1-N 2.87Å; D118-L120 PolarHBondContact O-N 2.84Å; D118-L121 PolarHBondContact O-N 3.1Å; D118-S122 WeakPolarHBondContact O-CB 3.34Å; D118-S122 PolarHBondContact O-N 3.5Å; D118-S122 PolarHBondContact O-OG 3.26Å; D118-S122 PolarHBondContact OD1-OG 3.47Å
119A98.3Very high98.2Very high0 Ų053.8 Ų53.80%027%0.267CS..Hα-helixtrans-59.3-46.2178.400000112.9L47 V69 F113 N115 D116 V117 L123L47-A119 HydrophobicContact CD1-CB 3.91Å; L47-A119 HydrophobicContact CD2-CB 4.03Å; V69-A119 HydrophobicContact CG2-CB 3.86Å; F113-A119 HydrophobicContact CB-CB 3.83Å; F113-A119 HydrophobicContact CD2-CB 3.58Å; F113-A119 HydrophobicContact CE2-CB 4.4Å; F113-A119 HydrophobicContact CG-CB 3.93Å; N115-A119 WeakPolarHBondContact O-CB 3.36Å; N115-A119 PolarHBondContact O-N 2.86Å; D116-A119 PolarHBondContact O-N 3.41Å; V117-A119 VanDerWaalsContact C-N 3.31Å; V117-A119 PolarHBondContact O-N 2.68Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 PolarHBondContact O-N 3.19Å
120L98.5Very high98.1Very high77 Ų7754.2 Ų54.240%0.40327%0.269SS..Hα-helixtrans-68.6-39.1179.7-70.6171.9000112.2L10 L47 D116 V117 D118 R124L10-L120 HydrophobicContact CD2-CD2 4.35Å; L47-L120 HydrophobicContact CD2-CD2 3.97Å; L47-L120 HydrophobicContact CD2-CG 4.5Å; D116-L120 WeakPolarHBondContact O-CB 3.24Å; D116-L120 VanDerWaalsContact O-CG 3.27Å; D116-L120 WeakPolarHBondContact O-CG 3.24Å; D116-L120 PolarHBondContact O-N 2.88Å; V117-L120 PolarHBondContact O-N 2.84Å; D118-L120 PolarHBondContact O-N 2.84Å; L120-R124 WeakPolarHBondContact O-CG 3.48Å; L120-R124 PolarHBondContact O-N 2.72Å; L120-R124 VanDerWaalsContact O-N 3.1Å
121L98.4Very high98.1Very high110 Ų11054 Ų5458%0.57627%0.268SS*.Hα-helixtrans-66.9-46.4176-70.4174.1000111.4V117 D118 L123 R124 K125V117-L121 HydrophobicContact CG1-CD1 4.02Å; V117-L121 WeakPolarHBondContact O-CG 3.32Å; V117-L121 PolarHBondContact O-N 2.96Å; D118-L121 PolarHBondContact O-N 3.1Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.41Å; L121-R124 PolarHBondContact O-N 2.77Å; L121-K125 PolarHBondContact O-N 2.93Å
122S98.2Very high98.1Very high21 Ų2154.8 Ų54.815%0.14728%0.278CS..Hα-helixtrans-62.6-38.4176.8-73.90000112F113 D118 K125 F126F113-S122 WeakPolarHBondContact CE1-OG 3.23Å; F113-S122 VanDerWaalsContact CZ-CB 3.49Å; D118-S122 WeakPolarHBondContact O-CB 3.34Å; D118-S122 PolarHBondContact O-N 3.5Å; D118-S122 PolarHBondContact O-OG 3.26Å; D118-S122 PolarHBondContact OD1-OG 3.47Å; S122-K125 PolarHBondContact O-N 3.35Å; S122-F126 WeakPolarHBondContact O-CB 3.3Å; S122-F126 PolarHBondContact O-N 2.75Å
123L98.2Very high98.1Very high9 Ų954.3 Ų54.35%0.04727%0.273CS..Hα-helixtrans-63-42.5173.817760.7000112.1V8 I45 L47 F67 A119 L121 K125 F126 L127V8-L123 HydrophobicContact CG1-CD2 3.57Å; V8-L123 HydrophobicContact CG2-CD2 4.3Å; I45-L123 HydrophobicContact CB-CD1 4.35Å; I45-L123 HydrophobicContact CG2-CD1 3.66Å; L47-L123 HydrophobicContact CD2-CD2 4.41Å; F67-L123 HydrophobicContact CD2-CD1 4.33Å; F67-L123 HydrophobicContact CE2-CD1 4.25Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 PolarHBondContact O-N 3.19Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.41Å; L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 2.76Å; L123-F126 HydrophobicContact CD1-CD1 4.27Å; L123-F126 WeakPolarHBondContact O-CB 3.1Å; L123-F126 PolarHBondContact O-N 3.33Å; L123-L127 HydrophobicContact CD1-CG 4.28Å; L123-L127 HydrophobicContact CG-CD1 4.38Å; L123-L127 WeakPolarHBondContact O-CG 3.14Å; L123-L127 PolarHBondContact O-N 3.39Å
124R97.9Very high98Very high189 Ų18956.6 Ų56.671%0.71329%0.286SS*.Hα-helixtrans-61.3-43176.1-72.3179.272.9128.34.7111.3L120 L121 L127 T128L120-R124 WeakPolarHBondContact O-CG 3.48Å; L120-R124 PolarHBondContact O-N 2.72Å; L120-R124 VanDerWaalsContact O-N 3.1Å; L121-R124 PolarHBondContact O-N 2.77Å; R124-L127 PolarHBondContact O-N 3.44Å; R124-T128 WeakPolarHBondContact O-CG2 3.32Å; R124-T128 PolarHBondContact O-N 2.84Å
125K97.2Very high97.9Very high90 Ų9059.3 Ų59.339%0.39130%0.296SS..Hα-helixtrans-59.8-48.3173.4178.4175.1177.8173.70111.1L121 S122 L123 L127 T128 F129 D180L121-K125 PolarHBondContact O-N 2.93Å; S122-K125 PolarHBondContact O-N 3.35Å; L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 2.76Å; K125-L127 VanDerWaalsContact C-N 3.33Å; K125-L127 PolarHBondContact O-N 3.23Å; K125-T128 WeakPolarHBondContact O-CB 3.16Å; K125-T128 PolarHBondContact O-N 2.73Å; K125-T128 PolarHBondContact O-OG1 3.42Å; K125-F129 HydrophobicContact CG-CE2 4.26Å; K125-F129 WeakPolarHBondContact O-CD2 3.26Å; K125-D180 WeakPolarHBondContact CE-OD1 3.42Å; K125-D180 WeakPolarHBondContact CE-OD2 3.4Å; K125-D180 VanDerWaalsContact NZ-CG 3.26Å; K125-D180 IonicContact NZ-OD1 2.84Å; K125-D180 PolarHBondContact NZ-OD1 3.38Å; K125-D180 IonicContact NZ-OD2 2.72Å; K125-D180 PolarHBondContact NZ-OD2 3.26Å
126F98.1Very high97.7Very high0 Ų060.4 Ų60.40%030%0.298CS..Hα-helixtrans-55.7-45.5178.7178-108.8000112.7I45 F65 F67 S122 L123 T128 F129 L130 F182 I184 L196I45-F126 HydrophobicContact CG1-CD1 4.48Å; I45-F126 HydrophobicContact CG1-CE1 4.02Å; F65-F126 HydrophobicContact CD1-CZ 4.29Å; F65-F126 AromaticContact CD2-CE1 3.73Å; F65-F126 HydrophobicContact CD2-CE1 3.73Å; F65-F126 AromaticContact CD2-CZ 3.43Å; F65-F126 HydrophobicContact CD2-CZ 3.43Å; F65-F126 VanDerWaalsContact CD2-CZ 3.43Å; F65-F126 HydrophobicContact CE1-CZ 4.39Å; F65-F126 HydrophobicContact CE2-CE1 4.17Å; F65-F126 AromaticContact CE2-CZ 3.51Å; F65-F126 HydrophobicContact CE2-CZ 3.51Å; F65-F126 HydrophobicContact CG-CE1 4.2Å; F65-F126 AromaticContact CG-CZ 3.83Å; F65-F126 HydrophobicContact CG-CZ 3.83Å; F65-F126 HydrophobicContact CZ-CZ 4Å; F67-F126 AromaticContact CE2-CD1 3.88Å; F67-F126 HydrophobicContact CE2-CD1 3.88Å; F67-F126 HydrophobicContact CE2-CE1 4.13Å; F67-F126 HydrophobicContact CE2-CG 4.19Å; F67-F126 HydrophobicContact CZ-CD1 4.18Å; F67-F126 HydrophobicContact CZ-CD2 4.31Å; F67-F126 HydrophobicContact CZ-CE1 4.21Å; F67-F126 HydrophobicContact CZ-CE2 4.34Å; F67-F126 HydrophobicContact CZ-CG 4.22Å; F67-F126 HydrophobicContact CZ-CZ 4.3Å; S122-F126 WeakPolarHBondContact O-CB 3.3Å; S122-F126 PolarHBondContact O-N 2.75Å; L123-F126 HydrophobicContact CD1-CD1 4.27Å; L123-F126 WeakPolarHBondContact O-CB 3.1Å; L123-F126 PolarHBondContact O-N 3.33Å; F126-T128 PolarHBondContact O-N 2.92Å; F126-T128 VanDerWaalsContact O-N 3.14Å; F126-F129 WeakPolarHBondContact O-CD2 3.3Å; F126-F129 PolarHBondContact O-N 3.08Å; F126-F129 VanDerWaalsContact O-N 3.07Å; F126-L130 HydrophobicContact CD1-CD1 4.26Å; F126-L130 HydrophobicContact CE1-CD1 3.63Å; F126-L130 HydrophobicContact CE1-CG 4.36Å; F126-L130 HydrophobicContact CZ-CD1 4.04Å; F126-L130 HydrophobicContact CZ-CD2 4.32Å; F126-L130 HydrophobicContact CZ-CG 4.48Å; F126-F182 HydrophobicContact CB-CD2 4.3Å; F126-F182 HydrophobicContact CB-CE1 4.4Å; F126-F182 HydrophobicContact CB-CE2 3.8Å; F126-F182 HydrophobicContact CB-CZ 3.85Å; F126-F182 AromaticContact CD2-CD1 3.57Å; F126-F182 HydrophobicContact CD2-CD1 3.57Å; F126-F182 HydrophobicContact CD2-CD2 4.33Å; F126-F182 AromaticContact CD2-CE1 3.44Å; F126-F182 HydrophobicContact CD2-CE1 3.44Å; F126-F182 VanDerWaalsContact CD2-CE1 3.44Å; F126-F182 HydrophobicContact CD2-CE2 4.22Å; F126-F182 HydrophobicContact CD2-CG 4.02Å; F126-F182 AromaticContact CD2-CZ 3.78Å; F126-F182 HydrophobicContact CD2-CZ 3.78Å; F126-F182 HydrophobicContact CE2-CD1 4.08Å; F126-F182 HydrophobicContact CE2-CE1 4.02Å; F126-F182 HydrophobicContact CG-CE1 4.18Å; F126-F182 HydrophobicContact CG-CE2 4.43Å; F126-F182 HydrophobicContact CG-CZ 4.08Å; F126-I184 HydrophobicContact CE2-CD1 4.23Å; F126-L196 HydrophobicContact CD2-CD1 4.27Å; F126-L196 HydrophobicContact CE2-CD1 3.61Å; F126-L196 HydrophobicContact CZ-CD1 4.27Å
127L97.8Very high97.5Very high55 Ų5562.6 Ų62.629%0.28831%0.305SS..Hα-helixtrans-60.8-24.2178.2-71.4173.1000113.2V8 I45 L123 R124 K125 F129 L130V8-L127 HydrophobicContact CG2-CD1 4.23Å; I45-L127 HydrophobicContact CD1-CD2 3.77Å; I45-L127 HydrophobicContact CG1-CD2 4.48Å; L123-L127 HydrophobicContact CD1-CG 4.28Å; L123-L127 HydrophobicContact CG-CD1 4.38Å; L123-L127 WeakPolarHBondContact O-CG 3.14Å; L123-L127 PolarHBondContact O-N 3.39Å; R124-L127 PolarHBondContact O-N 3.44Å; K125-L127 VanDerWaalsContact C-N 3.33Å; K125-L127 PolarHBondContact O-N 3.23Å; L127-F129 PolarHBondContact O-N 3.4Å; L127-L130 HydrophobicContact CD2-CD1 4.4Å; L127-L130 PolarHBondContact O-N 3.01Å
128T97.5Very high97.3Very high49 Ų4958.6 Ų58.630%0.30128%0.28SS..THydrogen-bonded Turntrans-67.7-18.217773.20000113.7R124 K125 F126 P139 R198R124-T128 WeakPolarHBondContact O-CG2 3.32Å; R124-T128 PolarHBondContact O-N 2.84Å; K125-T128 WeakPolarHBondContact O-CB 3.16Å; K125-T128 PolarHBondContact O-N 2.73Å; K125-T128 PolarHBondContact O-OG1 3.42Å; F126-T128 PolarHBondContact O-N 2.92Å; F126-T128 VanDerWaalsContact O-N 3.14Å; T128-P139 WeakPolarHBondContact O-CG 3.2Å; T128-R198 PolarHBondContact O-NH2 3.48Å; T128-R198 PolarHBondContact OG1-NH2 2.95Å
129F98.3Very high97.2Very high0 Ų058.2 Ų58.20%028%0.281CS..THydrogen-bonded Turntrans-83.9-21.8175.9-65.5-87.2000112K125 F126 L127 F182 L196 R198 T203K125-F129 HydrophobicContact CG-CE2 4.26Å; K125-F129 WeakPolarHBondContact O-CD2 3.26Å; F126-F129 WeakPolarHBondContact O-CD2 3.3Å; F126-F129 PolarHBondContact O-N 3.08Å; F126-F129 VanDerWaalsContact O-N 3.07Å; L127-F129 PolarHBondContact O-N 3.4Å; F129-F182 HydrophobicContact CE2-CB 4.04Å; F129-F182 HydrophobicContact CZ-CB 4.36Å; F129-L196 HydrophobicContact CB-CB 4.16Å; F129-L196 HydrophobicContact CB-CD1 3.79Å; F129-L196 HydrophobicContact CD1-CB 3.96Å; F129-L196 HydrophobicContact CG-CB 4Å; F129-L196 HydrophobicContact CG-CD1 4.39Å; F129-R198 HydrophobicContact CD1-CG 4.28Å; F129-R198 HydrophobicContact CE1-CG 4.07Å; F129-T203 HydrophobicContact CB-CG2 3.93Å; F129-T203 HydrophobicContact CD1-CG2 4.13Å; F129-T203 VanDerWaalsContact O-CG2 3.3Å; F129-T203 WeakPolarHBondContact O-CG2 3.49Å; F129-T203 PolarHBondContact O-OG1 3.47Å
130L98.3Very high97Very high8 Ų863 Ų634%0.04231%0.306CS..SBendtrans-92.4143.4-168.7-55-171.5000111.6P43 I45 F126 L127 P139 L196 F232 I238P43-L130 HydrophobicContact CB-CD1 3.87Å; P43-L130 HydrophobicContact CG-CB 4.33Å; P43-L130 HydrophobicContact CG-CD1 4.31Å; I45-L130 HydrophobicContact CD1-CD1 4.32Å; F126-L130 HydrophobicContact CD1-CD1 4.26Å; F126-L130 HydrophobicContact CE1-CD1 3.63Å; F126-L130 HydrophobicContact CE1-CG 4.36Å; F126-L130 HydrophobicContact CZ-CD1 4.04Å; F126-L130 HydrophobicContact CZ-CD2 4.32Å; F126-L130 HydrophobicContact CZ-CG 4.48Å; L127-L130 HydrophobicContact CD2-CD1 4.4Å; L127-L130 PolarHBondContact O-N 3.01Å; L130-P139 WeakPolarHBondContact O-CD 3.33Å; L130-L196 HydrophobicContact CD2-CD1 3.69Å; L130-F232 HydrophobicContact CD1-CZ 4.26Å; L130-F232 HydrophobicContact CD2-CE1 3.82Å; L130-F232 HydrophobicContact CD2-CZ 3.74Å; L130-I238 HydrophobicContact CD2-CD1 4.28Å
131P97.8Very high96.8Very high3 Ų363.2 Ų63.22%0.01931%0.305CS..  trans-66.9160.4162.333.1-37000110.3P43 S133 E136 F236P43-P131 VanDerWaalsContact CG-O 3.26Å; P43-P131 WeakPolarHBondContact CG-O 3.32Å; P131-S133 VanDerWaalsContact C-N 3.31Å; P131-S133 PolarHBondContact O-N 3.41Å; P131-E136 HydrophobicContact CB-CB 4.39Å; P131-F236 HydrophobicContact CG-CB 3.74Å; P131-F236 HydrophobicContact CG-CD1 4.1Å; P131-F236 HydrophobicContact CG-CG 4.33Å; P131-F236 WeakPolarHBondContact CG-O 3.39Å
132L97.6Very high96.6Very high91 Ų9166 Ų6648%0.47632%0.315SS..SBendtrans-70.7-31.1177-61.4177.9000112.3G4 P6 P43G4-L132 CarbonylContact O-C 3.55Å; G4-L132 WeakPolarHBondContact O-CB 3.38Å; P6-L132 WeakPolarHBondContact CD-O 3.21Å; P6-L132 HydrophobicContact CG-CD2 4.17Å; P43-L132 VanDerWaalsContact CD-O 3.23Å; P43-L132 WeakPolarHBondContact CD-O 3.35Å
133S98Very high96.3Very high6 Ų666.8 Ų66.84%0.04232%0.32CS..SBendtrans-155.5171.2176.968.40000111.9G4 V41 P131 K135 E136G4-S133 WeakPolarHBondContact O-CB 3.49Å; V41-S133 CarbonylContact O-C 3.17Å; V41-S133 WeakPolarHBondContact O-CA 3.41Å; V41-S133 WeakPolarHBondContact O-CB 3.28Å; P131-S133 VanDerWaalsContact C-N 3.31Å; P131-S133 PolarHBondContact O-N 3.41Å; S133-K135 PolarHBondContact O-N 3.2Å; S133-K135 VanDerWaalsContact O-N 3.1Å; S133-K135 PolarHBondContact OG-N 3.47Å; S133-E136 PolarHBondContact O-N 3.35Å
134N97.5Very high96.1Very high54 Ų5473.1 Ų73.129%0.28935%0.349SS..THydrogen-bonded Turntrans-65.4-7.5175.472.1-3.3000115.2G40 V41 A235 F236 N237G40-N134 VanDerWaalsContact O-CB 3.3Å; G40-N134 WeakPolarHBondContact O-CB 3.43Å; G40-N134 PolarHBondContact O-ND2 3.33Å; V41-N134 PolarHBondContact O-N 3.15Å; N134-A235 VanDerWaalsContact CB-O 3.23Å; N134-A235 WeakPolarHBondContact CB-O 3.32Å; N134-F236 HydrophobicContact CB-CD1 4.35Å; N134-F236 HydrophobicContact CB-CE1 4.46Å; N134-N237 PolarHBondContact O-ND2 3.28Å
135K95.9Very high96Very high187 Ų18765.1 Ų65.181%0.81332%0.32SS*.THydrogen-bonded Turntrans-87.1-16.4176.6-63.2-173.3179.1179.20112.8S133S133-K135 PolarHBondContact O-N 3.2Å; S133-K135 VanDerWaalsContact O-N 3.1Å; S133-K135 PolarHBondContact OG-N 3.47Å
136E93.4Very high95.9Very high94 Ų9464 Ų6444%0.43932%0.322SS..SBendtrans-107.3154.6-178.9-67.8176.6-153.800109.6P131 S133 N237P131-E136 HydrophobicContact CB-CB 4.39Å; S133-E136 PolarHBondContact O-N 3.35Å; E136-N237 PolarHBondContact O-ND2 2.92Å
137K93.4Very high95.8Very high115 Ų11567.8 Ų67.850%0.534%0.342SS..PPolyproline II helixtrans-79.9158.5166.4-71.3-179.5174.2-178.80109.4E375K137-E375 VanDerWaalsContact NZ-CG 3.27Å; K137-E375 PolarHBondContact NZ-O 3Å; K137-E375 IonicContact NZ-OE1 3.71Å
138P95.4Very high95.7Very high14 Ų1470 Ų709%0.09135%0.354CS..PPolyproline II helixtrans-55.1147.8172.3-23.434.2000111.4T203 N237 I238P138-T203 HydrophobicContact CB-CG2 4.49Å; P138-N237 VanDerWaalsContact CD-O 3.28Å; P138-N237 WeakPolarHBondContact CD-O 3.14Å; P138-I238 HydrophobicContact CB-CG1 4.48Å; P138-I238 HydrophobicContact CG-CB 4.26Å; P138-I238 HydrophobicContact CG-CG1 3.57Å
139P94.9Very high95.6Very high50 Ų5071.2 Ų71.233%0.32535%0.353SS..PPolyproline II helixtrans-62.9139.1-179.427.9-35.7000110.8T128 L130T128-P139 WeakPolarHBondContact O-CG 3.2Å; L130-P139 WeakPolarHBondContact O-CD 3.33Å
140I95.1Very high95.6Very high102 Ų10275.4 Ų75.452%0.52338%0.375SS..BIsolated β-bridgetrans-93.6126.2170.1-55.5179.1000107.2G201 R202I140-G201 WeakPolarHBondContact CA-O 3.4Å; I140-R202 HydrophobicContact CD1-CG 4.43Å; I140-R202 HydrophobicContact CG1-CG 4.26Å; I140-R202 HydrophobicContact CG2-CG 4.42Å
141Q93.6Very high95.6Very high81 Ų8175.2 Ų75.238%0.37937%0.374SS..PPolyproline II helixtrans-101.5151.3173.6-70.6-166.4-2400110.7C143 R198 G201Q141-C143 PolarHBondContact O-N 2.67Å; Q141-R198 VanDerWaalsContact OE1-NH1 3.09Å; Q141-G201 PolarHBondContact N-O 3.37Å; Q141-G201 VanDerWaalsContact O-CA 3.29Å; Q141-G201 WeakPolarHBondContact O-CA 3.34Å
142E93.8Very high95.5Very high168 Ų16879.4 Ų79.479%0.78540%0.401SS*.PPolyproline II helixtrans-59.6132.7166.7-172.7173.5-177.600108.8H144E142-H144 IonicContact OE1-CE1 3.44Å; E142-H144 PolarHBondContact OE1-CE1 3.39Å
143C93Very high95.5Very high37 Ų3777.7 Ų77.725%0.2540%0.397CS..  trans-127.5130.4-176.7-178.40000108.8Q141 D145 D177Q141-C143 PolarHBondContact O-N 2.67Å; C143-D145 PolarHBondContact SG-N 3.01Å; C143-D177 PolarHBondContact SG-OD2 2.79Å
144H93.9Very high95.5Very high143 Ų14377.4 Ų77.466%0.66240%0.395SS*.  trans-100.1-5.4176.4-58.5-55.9000112.8E142 P146E142-H144 IonicContact OE1-CE1 3.44Å; E142-H144 PolarHBondContact OE1-CE1 3.39Å; H144-P146 WeakPolarHBondContact O-CD 3.5Å
145D95.4Very high95.5Very high20 Ų2078.5 Ų78.511%0.10740%0.401CS..SBendtrans-79115.7173.4-168.8-10.4000109.6C143 I147 R149 E178 R364C143-D145 PolarHBondContact SG-N 3.01Å; D145-I147 PolarHBondContact O-N 3.39Å; D145-R149 IonicContact OD1-CZ 2.64Å; D145-R149 IonicContact OD1-NE 3.7Å; D145-R149 PolarHBondContact OD1-NE 3.32Å; D145-R149 IonicContact OD1-NH2 3.65Å; D145-R149 IonicContact OD2-CZ 3.41Å; D145-R149 IonicContact OD2-NE 3.59Å; D145-R149 IonicContact OD2-NH2 2.77Å; D145-R149 PolarHBondContact OD2-NH2 3.25Å; D145-R149 VanDerWaalsContact OD2-NH2 3.09Å; D145-E178 HydrophobicContact CB-CG 4.44Å; D145-E178 PolarHBondContact OD2-N 3.33Å; D145-R364 PolarHBondContact O-NH2 2.97Å; D145-R364 IonicContact OD1-CZ 3.39Å; D145-R364 IonicContact OD1-NE 2.79Å; D145-R364 IonicContact OD1-NH2 3.11Å; D145-R364 PolarHBondContact OD1-NH2 3.46Å; D145-R364 IonicContact OD2-CZ 2.83Å; D145-R364 IonicContact OD2-NH1 3.19Å; D145-R364 IonicContact OD2-NH2 2.87Å
146P96.2Very high95.6Very high68 Ų6875.3 Ų75.344%0.44240%0.397SS..  trans-55.6133.9-176.7-24.533.8000112.5H144 D148 R149 R364H144-P146 WeakPolarHBondContact O-CD 3.5Å; P146-D148 WeakPolarHBondContact CB-OD1 3.38Å; P146-D148 PolarHBondContact O-N 2.94Å; P146-R149 HydrophobicContact CB-CB 4.3Å; P146-R149 WeakPolarHBondContact O-CB 3.28Å; P146-R149 PolarHBondContact O-N 3.05Å; P146-R364 PolarHBondContact O-NE 3.34Å; P146-R364 PolarHBondContact O-NH2 3.08Å
147I95.2Very high95.7Very high78 Ų7872 Ų7240%0.438%0.382SS..THydrogen-bonded Turntrans-65.8-24.7179.462.1170.5000112.2D145 L365 C368D145-I147 PolarHBondContact O-N 3.39Å; I147-L365 WeakPolarHBondContact O-CA 3.28Å; I147-C368 HydrophobicContact CB-CB 4.06Å
148D95.4Very high95.9Very high102 Ų10267.3 Ų67.355%0.54536%0.363SS..THydrogen-bonded Turntrans-100.78.5-177.764-24.1000113.2P146 L150 L365P146-D148 WeakPolarHBondContact CB-OD1 3.38Å; P146-D148 PolarHBondContact O-N 2.94Å; D148-L150 PolarHBondContact O-N 2.73Å; D148-L150 VanDerWaalsContact O-N 3.12Å; D148-L365 HydrophobicContact CB-CD1 4.04Å
149R96.4Very high95.9Very high74 Ų7468.6 Ų68.628%0.27937%0.371SS..  trans-56.6118.7175.3175.5172.863.983.1-5.1110.2D145 P146 D174D145-R149 IonicContact OD1-CZ 2.64Å; D145-R149 IonicContact OD1-NE 3.7Å; D145-R149 PolarHBondContact OD1-NE 3.32Å; D145-R149 IonicContact OD1-NH2 3.65Å; D145-R149 IonicContact OD2-CZ 3.41Å; D145-R149 IonicContact OD2-NE 3.59Å; D145-R149 IonicContact OD2-NH2 2.77Å; D145-R149 PolarHBondContact OD2-NH2 3.25Å; D145-R149 VanDerWaalsContact OD2-NH2 3.09Å; P146-R149 HydrophobicContact CB-CB 4.3Å; P146-R149 WeakPolarHBondContact O-CB 3.28Å; P146-R149 PolarHBondContact O-N 3.05Å; R149-D174 PolarHBondContact NH1-O 3.2Å; R149-D174 PolarHBondContact NH2-O 3.13Å
150L97.3Very high95.6Very high89 Ų8974.6 Ų74.647%0.46640%0.4SS..  trans-73.7150.6168.5-56.9-172.4000110.3D148 P152 L362D148-L150 PolarHBondContact O-N 2.73Å; D148-L150 VanDerWaalsContact O-N 3.12Å; L150-P152 WeakPolarHBondContact O-CD 3.21Å; L150-L362 HydrophobicContact CD2-CD2 3.69Å
151V97.7Very high95.4Very high4 Ų474.4 Ų74.42%0.02440%0.397CS..  trans-127.973.8-174-161.40000111S153 L154 D174 H361 R364V151-S153 PolarHBondContact O-N 2.92Å; V151-S153 VanDerWaalsContact O-N 3.09Å; V151-L154 HydrophobicContact CB-CD1 3.78Å; V151-L154 HydrophobicContact CB-CG 3.95Å; V151-L154 HydrophobicContact CG1-CD1 3.92Å; V151-L154 HydrophobicContact CG1-CD2 4.39Å; V151-L154 HydrophobicContact CG1-CG 3.71Å; V151-L154 HydrophobicContact CG2-CD1 4.45Å; V151-L154 WeakPolarHBondContact O-CB 3.4Å; V151-L154 WeakPolarHBondContact O-CG 3.41Å; V151-L154 PolarHBondContact O-N 3.01Å; V151-D174 HydrophobicContact CG1-CB 3.79Å; V151-H361 PolarHBondContact N-O 2.81Å; V151-H361 WeakPolarHBondContact O-CA 3.46Å; V151-H361 WeakPolarHBondContact O-CB 3.25Å; V151-R364 HydrophobicContact CG2-CB 4.05Å
152P97.6Very high94.9Very high90 Ų9073.7 Ų73.758%0.58440%0.399SS*.G310 helixtrans-59.7-23.5-172-25.235.2000115.2L150 L154 D155L150-P152 WeakPolarHBondContact O-CD 3.21Å; P152-L154 PolarHBondContact O-N 3.43Å; P152-D155 PolarHBondContact O-N 3.18Å
153S96.7Very high94.6Very high55 Ų5571.2 Ų71.239%0.38540%0.396SS..G310 helixtrans-58.6-28.1174.645.60000112.9V151 D155 T156 I157 D174V151-S153 PolarHBondContact O-N 2.92Å; V151-S153 VanDerWaalsContact O-N 3.09Å; S153-D155 PolarHBondContact O-N 2.94Å; S153-T156 PolarHBondContact O-N 3.17Å; S153-T156 PolarHBondContact O-OG1 3.39Å; S153-I157 PolarHBondContact O-N 3.12Å; S153-D174 WeakPolarHBondContact CB-OD2 3.37Å; S153-D174 PolarHBondContact OG-OD2 3.34Å
154L97.9Very high94.6Very high1 Ų171.9 Ų71.91%0.00540%0.401CS..G310 helixtrans-68.6-22.8-179.7-60-176.9000113V151 P152 T156 I157 I171 D174 I175 W307 P360V151-L154 HydrophobicContact CB-CD1 3.78Å; V151-L154 HydrophobicContact CB-CG 3.95Å; V151-L154 HydrophobicContact CG1-CD1 3.92Å; V151-L154 HydrophobicContact CG1-CD2 4.39Å; V151-L154 HydrophobicContact CG1-CG 3.71Å; V151-L154 HydrophobicContact CG2-CD1 4.45Å; V151-L154 WeakPolarHBondContact O-CB 3.4Å; V151-L154 WeakPolarHBondContact O-CG 3.41Å; V151-L154 PolarHBondContact O-N 3.01Å; P152-L154 PolarHBondContact O-N 3.43Å; L154-T156 PolarHBondContact O-N 2.83Å; L154-I157 WeakPolarHBondContact O-CG2 3.18Å; L154-I171 HydrophobicContact CD2-CB 4.33Å; L154-I171 HydrophobicContact CD2-CG1 4.19Å; L154-I171 HydrophobicContact CD2-CG2 4.11Å; L154-D174 HydrophobicContact CD2-CB 3.97Å; L154-I175 HydrophobicContact CD1-CG2 3.71Å; L154-W307 HydrophobicContact CB-CH2 3.85Å; L154-W307 HydrophobicContact CB-CZ2 4.17Å; L154-W307 HydrophobicContact CD1-CH2 4.47Å; L154-W307 HydrophobicContact CD1-CZ2 4.19Å; L154-W307 HydrophobicContact CD2-CH2 4.2Å; L154-W307 HydrophobicContact CG-CH2 4.38Å; L154-P360 HydrophobicContact CB-CB 3.73Å; L154-P360 WeakPolarHBondContact CD1-O 3.27Å; L154-P360 VanDerWaalsContact O-CB 3.3Å; L154-P360 WeakPolarHBondContact O-CB 3.33Å
155D97.8Very high94.7Very high77 Ų7767.5 Ų67.541%0.41239%0.389SS..G310 helixtrans-71.7-16.8-178.5-64.7-22.1000112.6P152 S153 P360 H361P152-D155 PolarHBondContact O-N 3.18Å; S153-D155 PolarHBondContact O-N 2.94Å; D155-P360 WeakPolarHBondContact OD1-CB 3.4Å; D155-P360 WeakPolarHBondContact OD1-CD 3.28Å; D155-H361 IonicContact OD1-CG 3.59Å; D155-H361 PolarHBondContact OD1-N 3.12Å; D155-H361 IonicContact OD1-ND1 3.95Å; D155-H361 PolarHBondContact OD1-ND1 3.06Å; D155-H361 VanDerWaalsContact OD1-ND1 3.11Å; D155-H361 IonicContact OD2-CE1 2.67Å; D155-H361 IonicContact OD2-CG 3.66Å; D155-H361 IonicContact OD2-ND1 2.8Å; D155-H361 PolarHBondContact OD2-ND1 3.3Å
156T96.8Very high94.8Very high120 Ų12067.1 Ų67.174%0.73639%0.386SS*.THydrogen-bonded Turntrans-121.6-4.8-175.561.10000114.3S153 L154 V158S153-T156 PolarHBondContact O-N 3.17Å; S153-T156 PolarHBondContact O-OG1 3.39Å; L154-T156 PolarHBondContact O-N 2.83Å; T156-V158 PolarHBondContact O-N 3.41Å
157I96.9Very high94.9Very high23 Ų2365.1 Ų65.112%0.11837%0.372CS..SBendtrans-69.7-31.5-174.2-165.9158.3000113.5S153 L154 P159 Y166 E170 I171 W307S153-I157 PolarHBondContact O-N 3.12Å; L154-I157 WeakPolarHBondContact O-CG2 3.18Å; I157-P159 WeakPolarHBondContact O-CD 3.32Å; I157-Y166 HydrophobicContact CG1-CD2 4.41Å; I157-Y166 WeakPolarHBondContact O-CB 3.48Å; I157-E170 HydrophobicContact CD1-CB 3.64Å; I157-I171 HydrophobicContact CD1-CD1 4.48Å; I157-I171 HydrophobicContact CD1-CG1 3.59Å; I157-I171 HydrophobicContact CG1-CG1 4.29Å; I157-I171 HydrophobicContact CG2-CD1 3.88Å; I157-I171 HydrophobicContact CG2-CG1 3.92Å; I157-W307 HydrophobicContact CG2-CH2 4.17Å; I157-W307 HydrophobicContact CG2-CZ3 3.92Å
158V96.8Very high95.1Very high18 Ų1861.4 Ų61.411%0.10935%0.353CS..SBendtrans-82.2116.9177.6-178.90000108.7T156 Y166 I283 R284 W307 T309T156-V158 PolarHBondContact O-N 3.41Å; V158-Y166 HydrophobicContact CG1-CE1 4.37Å; V158-Y166 HydrophobicContact CG2-CE1 4.23Å; V158-I283 HydrophobicContact CG2-CG2 3.71Å; V158-R284 HydrophobicContact CG1-CB 4.33Å; V158-R284 HydrophobicContact CG1-CG 4.25Å; V158-W307 HydrophobicContact CG2-CE3 3.97Å; V158-W307 HydrophobicContact CG2-CZ3 3.75Å; V158-T309 HydrophobicContact CB-CG2 4.35Å; V158-T309 HydrophobicContact CG1-CG2 4.17Å
159P95.5Very high95.2Very high40 Ų4057.8 Ų57.826%0.2633%0.334SS..  trans-64.5142.5178.5-2033.1000111I157 E161I157-P159 WeakPolarHBondContact O-CD 3.32Å; P159-E161 PolarHBondContact O-N 2.95Å
160L89.6Confident95.3Very high176 Ų17658.8 Ų58.892%0.92134%0.343SS*.SBendtrans-63.5-31.3173-65.6173.9000112.2P162L160-P162 VanDerWaalsContact O-CD 3.32Å; L160-P162 WeakPolarHBondContact O-CD 3.32Å
161E89.3Confident95.3Very high98 Ų9854.6 Ų54.646%0.45832%0.32SS..SBendtrans-74.5115177.917652.2-127.600110.4P159 T163 S164P159-E161 PolarHBondContact O-N 2.95Å; E161-T163 WeakPolarHBondContact CG-OG1 3.33Å; E161-T163 PolarHBondContact O-N 3.37Å; E161-T163 VanDerWaalsContact O-N 3.08Å; E161-T163 PolarHBondContact OE1-N 3.04Å; E161-T163 PolarHBondContact OE1-OG1 3.28Å; E161-S164 WeakPolarHBondContact O-CB 3.44Å; E161-S164 PolarHBondContact O-N 2.91Å
162P84.4Confident95.4Very high66 Ų6654.4 Ų54.443%0.42932%0.319SS..THydrogen-bonded Turntrans-61.8-24.3-173.2-24.334000114.5L160 K285L160-P162 VanDerWaalsContact O-CD 3.32Å; L160-P162 WeakPolarHBondContact O-CD 3.32Å; P162-K285 PolarHBondContact O-NZ 3.25Å
163T86.4Confident95.4Very high117 Ų11755.3 Ų55.372%0.71831%0.314SS*.THydrogen-bonded Turntrans-82.9-15.9179.759.50000113.4E161E161-T163 WeakPolarHBondContact CG-OG1 3.33Å; E161-T163 PolarHBondContact O-N 3.37Å; E161-T163 VanDerWaalsContact O-N 3.08Å; E161-T163 PolarHBondContact OE1-N 3.04Å; E161-T163 PolarHBondContact OE1-OG1 3.28Å
164S93.5Very high95.5Very high51 Ų5155.1 Ų55.136%0.35731%0.309SS..  trans-81.9135.9-178.9-700000111.7E161 R284E161-S164 WeakPolarHBondContact O-CB 3.44Å; E161-S164 PolarHBondContact O-N 2.91Å; S164-R284 PolarHBondContact O-NH1 2.94Å
165A96Very high95.5Very high51 Ų5155.1 Ų55.142%0.42131%0.309SS..  trans-93158.1175.300000111P211 K212A165-P211 HydrophobicContact CB-CB 4.12Å; A165-K212 HydrophobicContact CB-CG 4.29Å
166Y97.8Very high95.5Very high11 Ų1151.4 Ų51.44%0.04329%0.289CS..  trans-134.5168.1171.661.3-85.9000108.8I157 V158 M168 I171 Q210 P211 D245 I283I157-Y166 HydrophobicContact CG1-CD2 4.41Å; I157-Y166 WeakPolarHBondContact O-CB 3.48Å; V158-Y166 HydrophobicContact CG1-CE1 4.37Å; V158-Y166 HydrophobicContact CG2-CE1 4.23Å; Y166-M168 HydrophobicContact CE2-CE 3.81Å; Y166-M168 HydrophobicContact CE2-SD 4.39Å; Y166-M168 VanDerWaalsContact OH-CE 3.25Å; Y166-M168 WeakPolarHBondContact OH-CE 3.41Å; Y166-I171 HydrophobicContact CD2-CD1 4.1Å; Y166-I171 HydrophobicContact CE2-CD1 3.53Å; Y166-I171 HydrophobicContact CE2-CG1 4.5Å; Y166-Q210 PolarHBondContact O-OE1 3.45Å; Y166-P211 HydrophobicContact CD1-CG 4.44Å; Y166-P211 HydrophobicContact CE1-CB 4.49Å; Y166-P211 HydrophobicContact CE1-CG 3.91Å; Y166-P211 HydrophobicContact CE2-CG 4.27Å; Y166-D245 WeakPolarHBondContact CE1-OD2 3.37Å; Y166-D245 VanDerWaalsContact CZ-OD2 3.3Å; Y166-D245 VanDerWaalsContact OH-CB 3.3Å; Y166-D245 WeakPolarHBondContact OH-CB 3.42Å; Y166-D245 PolarHBondContact OH-OD2 3.02Å; Y166-I283 HydrophobicContact CE2-CG2 4.37Å; Y166-I283 VanDerWaalsContact OH-CG2 3.24Å; Y166-I283 WeakPolarHBondContact OH-CG2 3.46Å
167D98Very high95.6Very high27 Ų2746.1 Ų46.114%0.14426%0.256CS..  trans-87.2113.5178.8-147.7-42.8000111.8T169 E170 Q210 K212D167-T169 PolarHBondContact O-N 3.17Å; D167-T169 WeakPolarHBondContact OD1-CB 3.45Å; D167-T169 PolarHBondContact OD1-N 3.14Å; D167-T169 PolarHBondContact OD1-OG1 2.8Å; D167-E170 HydrophobicContact CB-CB 4.31Å; D167-E170 HydrophobicContact CB-CG 3.88Å; D167-E170 WeakPolarHBondContact CB-OE1 3.28Å; D167-E170 PolarHBondContact O-N 3.04Å; D167-Q210 PolarHBondContact OD1-NE2 3.32Å; D167-K212 HydrophobicContact CB-CD 4.12Å; D167-K212 VanDerWaalsContact CB-NZ 3.32Å; D167-K212 IonicContact OD2-NZ 2.86Å; D167-K212 PolarHBondContact OD2-NZ 3.12Å
168M98.6Very high95.5Very high0 Ų051.7 Ų51.70%028%0.282CS..Hα-helixtrans-65.6-22.7173.6-172.663.268.900112.5Y166 E170 I171 I172 I193 A208 N209 L243 D245 I283Y166-M168 HydrophobicContact CE2-CE 3.81Å; Y166-M168 HydrophobicContact CE2-SD 4.39Å; Y166-M168 VanDerWaalsContact OH-CE 3.25Å; Y166-M168 WeakPolarHBondContact OH-CE 3.41Å; M168-E170 VanDerWaalsContact C-N 3.27Å; M168-E170 PolarHBondContact O-N 3.28Å; M168-I171 PolarHBondContact O-N 3.27Å; M168-I171 HydrophobicContact SD-CB 4.19Å; M168-I171 HydrophobicContact SD-CD1 3.9Å; M168-I171 HydrophobicContact SD-CG1 4.49Å; M168-I171 HydrophobicContact SD-CG2 4.49Å; M168-I172 HydrophobicContact CG-CD1 4.39Å; M168-I172 WeakPolarHBondContact O-CG1 3.14Å; M168-I172 PolarHBondContact O-N 3.21Å; M168-I193 HydrophobicContact CB-CD1 3.79Å; M168-I193 HydrophobicContact CG-CD1 4.13Å; M168-A208 HydrophobicContact CG-CB 3.63Å; M168-A208 HydrophobicContact SD-CB 4.48Å; M168-N209 VanDerWaalsContact CB-O 3.24Å; M168-N209 WeakPolarHBondContact CB-O 3.44Å; M168-N209 WeakPolarHBondContact CE-O 3.41Å; M168-N209 WeakPolarHBondContact CG-O 3.39Å; M168-L243 HydrophobicContact SD-CB 3.93Å; M168-L243 HydrophobicContact SD-CD1 4.06Å; M168-D245 HydrophobicContact CE-CB 3.96Å; M168-I283 HydrophobicContact CE-CB 4.36Å; M168-I283 HydrophobicContact CE-CG1 4.09Å; M168-I283 HydrophobicContact CE-CG2 4.5Å; M168-I283 HydrophobicContact SD-CG1 4.41Å
169T98.4Very high95.5Very high25 Ų2552.2 Ų52.215%0.15329%0.29CS..Hα-helixtrans-69.2-25.9177.266.10000113D167 I172 K173 I193D167-T169 PolarHBondContact O-N 3.17Å; D167-T169 WeakPolarHBondContact OD1-CB 3.45Å; D167-T169 PolarHBondContact OD1-N 3.14Å; D167-T169 PolarHBondContact OD1-OG1 2.8Å; T169-I172 PolarHBondContact O-N 3.24Å; T169-K173 VanDerWaalsContact O-CG 3.32Å; T169-K173 WeakPolarHBondContact O-CG 3.4Å; T169-K173 PolarHBondContact O-N 3.44Å; T169-I193 HydrophobicContact CG2-CD1 3.61Å; T169-I193 HydrophobicContact CG2-CG1 4.26Å
170E98.2Very high95.6Very high96 Ų9652.4 Ų52.445%0.44929%0.289SS..Hα-helixtrans-66.9-47.2173.4-73.1169.7-149.400109.9I157 D167 M168 I172 K173 D174I157-E170 HydrophobicContact CD1-CB 3.64Å; D167-E170 HydrophobicContact CB-CB 4.31Å; D167-E170 HydrophobicContact CB-CG 3.88Å; D167-E170 WeakPolarHBondContact CB-OE1 3.28Å; D167-E170 PolarHBondContact O-N 3.04Å; M168-E170 VanDerWaalsContact C-N 3.27Å; M168-E170 PolarHBondContact O-N 3.28Å; E170-I172 VanDerWaalsContact C-N 3.32Å; E170-I172 PolarHBondContact O-N 3.09Å; E170-K173 PolarHBondContact O-N 3.1Å; E170-D174 WeakPolarHBondContact O-CB 3.37Å; E170-D174 PolarHBondContact O-N 2.85Å
171I98.6Very high96Very high0 Ų045.3 Ų45.30%025%0.251CS..Hα-helixtrans-56.8-47.2173.5-60.9-178.7000110.7L154 I157 Y166 M168 K173 D174 I175 L243 I283 W307L154-I171 HydrophobicContact CD2-CB 4.33Å; L154-I171 HydrophobicContact CD2-CG1 4.19Å; L154-I171 HydrophobicContact CD2-CG2 4.11Å; I157-I171 HydrophobicContact CD1-CD1 4.48Å; I157-I171 HydrophobicContact CD1-CG1 3.59Å; I157-I171 HydrophobicContact CG1-CG1 4.29Å; I157-I171 HydrophobicContact CG2-CD1 3.88Å; I157-I171 HydrophobicContact CG2-CG1 3.92Å; Y166-I171 HydrophobicContact CD2-CD1 4.1Å; Y166-I171 HydrophobicContact CE2-CD1 3.53Å; Y166-I171 HydrophobicContact CE2-CG1 4.5Å; M168-I171 PolarHBondContact O-N 3.27Å; M168-I171 HydrophobicContact SD-CB 4.19Å; M168-I171 HydrophobicContact SD-CD1 3.9Å; M168-I171 HydrophobicContact SD-CG1 4.49Å; M168-I171 HydrophobicContact SD-CG2 4.49Å; I171-K173 PolarHBondContact O-N 2.94Å; I171-D174 PolarHBondContact O-N 3.08Å; I171-I175 HydrophobicContact CG2-CG2 4.44Å; I171-I175 WeakPolarHBondContact O-CG1 3.48Å; I171-I175 WeakPolarHBondContact O-CG2 3.43Å; I171-I175 PolarHBondContact O-N 2.82Å; I171-I175 VanDerWaalsContact O-N 3.13Å; I171-L243 HydrophobicContact CG2-CD1 4.2Å; I171-I283 HydrophobicContact CD1-CG2 3.88Å; I171-W307 HydrophobicContact CD1-CH2 3.84Å; I171-W307 HydrophobicContact CD1-CZ3 4.11Å; I171-W307 HydrophobicContact CG1-CH2 4.37Å; I171-W307 HydrophobicContact CG2-CH2 4.26Å; I171-W307 HydrophobicContact CG2-CZ2 4.49Å
172I98.7Very high96.5Very high0 Ų041 Ų410%023%0.231CC..Hα-helixtrans-57.9-49.1179.4-69.4167.3000111M168 T169 E170 D174 I175 I176 F181 I193 I206 A208 L243M168-I172 HydrophobicContact CG-CD1 4.39Å; M168-I172 WeakPolarHBondContact O-CG1 3.14Å; M168-I172 PolarHBondContact O-N 3.21Å; T169-I172 PolarHBondContact O-N 3.24Å; E170-I172 VanDerWaalsContact C-N 3.32Å; E170-I172 PolarHBondContact O-N 3.09Å; I172-D174 VanDerWaalsContact C-N 3.3Å; I172-D174 PolarHBondContact O-N 2.83Å; I172-I175 VanDerWaalsContact O-CG1 3.26Å; I172-I175 WeakPolarHBondContact O-CG1 3.42Å; I172-I175 PolarHBondContact O-N 3.3Å; I172-I176 HydrophobicContact CG2-CD1 4.13Å; I172-I176 HydrophobicContact CG2-CG2 4.42Å; I172-I176 VanDerWaalsContact O-CG1 3.24Å; I172-I176 WeakPolarHBondContact O-CG1 3.4Å; I172-I176 VanDerWaalsContact O-CG2 3.31Å; I172-I176 WeakPolarHBondContact O-CG2 3.47Å; I172-I176 PolarHBondContact O-N 3.33Å; I172-F181 HydrophobicContact CG2-CB 4.48Å; I172-F181 HydrophobicContact CG2-CD1 4.19Å; I172-F181 HydrophobicContact CG2-CD2 3.96Å; I172-F181 HydrophobicContact CG2-CE1 4.39Å; I172-F181 HydrophobicContact CG2-CE2 4.17Å; I172-F181 HydrophobicContact CG2-CG 3.97Å; I172-F181 HydrophobicContact CG2-CZ 4.38Å; I172-I193 HydrophobicContact CD1-CB 4.34Å; I172-I193 HydrophobicContact CD1-CD1 4.18Å; I172-I193 HydrophobicContact CD1-CG2 3.79Å; I172-I206 HydrophobicContact CD1-CG2 3.96Å; I172-I206 HydrophobicContact CG1-CG2 4.1Å; I172-I206 HydrophobicContact CG2-CD1 3.79Å; I172-A208 HydrophobicContact CD1-CB 3.91Å; I172-L243 HydrophobicContact CG1-CD1 3.66Å
173K98.4Very high97.1Very high110 Ų11040 Ų4048%0.47822%0.221SC..Hα-helixtrans-66.3-34.4-178.3-73.6174.1-178.81760112.6T169 E170 I171 G179T169-K173 VanDerWaalsContact O-CG 3.32Å; T169-K173 WeakPolarHBondContact O-CG 3.4Å; T169-K173 PolarHBondContact O-N 3.44Å; E170-K173 PolarHBondContact O-N 3.1Å; I171-K173 PolarHBondContact O-N 2.94Å; K173-G179 WeakPolarHBondContact O-CA 3.38Å
174D97.7Very high97.7Very high51 Ų5134.5 Ų34.527%0.27319%0.187SC..Hα-helixtrans-70.9-32.9-179-9010000112.6R149 V151 S153 L154 E170 I171 I172R149-D174 PolarHBondContact NH1-O 3.2Å; R149-D174 PolarHBondContact NH2-O 3.13Å; V151-D174 HydrophobicContact CG1-CB 3.79Å; S153-D174 WeakPolarHBondContact CB-OD2 3.37Å; S153-D174 PolarHBondContact OG-OD2 3.34Å; L154-D174 HydrophobicContact CD2-CB 3.97Å; E170-D174 WeakPolarHBondContact O-CB 3.37Å; E170-D174 PolarHBondContact O-N 2.85Å; I171-D174 PolarHBondContact O-N 3.08Å; I172-D174 VanDerWaalsContact C-N 3.3Å; I172-D174 PolarHBondContact O-N 2.83Å
175I98.1Very high98Very high0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-85.9-35.2-178.866.9178.3000113.7L154 I171 I172 L199 L243 T363 R364 L367L154-I175 HydrophobicContact CD1-CG2 3.71Å; I171-I175 HydrophobicContact CG2-CG2 4.44Å; I171-I175 WeakPolarHBondContact O-CG1 3.48Å; I171-I175 WeakPolarHBondContact O-CG2 3.43Å; I171-I175 PolarHBondContact O-N 2.82Å; I171-I175 VanDerWaalsContact O-N 3.13Å; I172-I175 VanDerWaalsContact O-CG1 3.26Å; I172-I175 WeakPolarHBondContact O-CG1 3.42Å; I172-I175 PolarHBondContact O-N 3.3Å; I175-L199 WeakPolarHBondContact O-CD2 3.32Å; I175-L243 HydrophobicContact CD1-CD1 4.02Å; I175-L243 HydrophobicContact CD1-CD2 4.35Å; I175-T363 HydrophobicContact CG2-CG2 3.75Å; I175-R364 WeakPolarHBondContact O-CD 3.28Å; I175-R364 WeakPolarHBondContact O-CG 3.48Å; I175-R364 PolarHBondContact O-NH1 3.39Å; I175-L367 HydrophobicContact CD1-CD1 4.12Å
176I98.2Very high98.1Very high0 Ų032 Ų320%016%0.163CC..SBendtrans-79.2164.2-174.367-173.7000112.3I172 E178 F181 A197 I206 R364I172-I176 HydrophobicContact CG2-CD1 4.13Å; I172-I176 HydrophobicContact CG2-CG2 4.42Å; I172-I176 VanDerWaalsContact O-CG1 3.24Å; I172-I176 WeakPolarHBondContact O-CG1 3.4Å; I172-I176 VanDerWaalsContact O-CG2 3.31Å; I172-I176 WeakPolarHBondContact O-CG2 3.47Å; I172-I176 PolarHBondContact O-N 3.33Å; I176-E178 PolarHBondContact O-N 3.43Å; I176-F181 HydrophobicContact CD1-CB 3.64Å; I176-F181 HydrophobicContact CD1-CD2 4.44Å; I176-F181 HydrophobicContact CD1-CG 4.4Å; I176-A197 HydrophobicContact CB-CB 3.97Å; I176-A197 HydrophobicContact CD1-CB 3.95Å; I176-A197 HydrophobicContact CG2-CB 3.54Å; I176-I206 HydrophobicContact CG2-CD1 3.57Å; I176-R364 VanDerWaalsContact C-NH1 3.32Å
177D98.1Very high98.1Very high9 Ų935.9 Ų35.95%0.04818%0.183CC..G310 helixtrans-61.7124176.9-59.8-17.9000110.7C143 G179 D180 R198 L199 G200 G201 R364C143-D177 PolarHBondContact SG-OD2 2.79Å; D177-G179 PolarHBondContact O-N 3.42Å; D177-D180 PolarHBondContact O-N 2.88Å; D177-R198 HydrophobicContact CB-CB 4.23Å; D177-R198 VanDerWaalsContact CG-C 3.49Å; D177-R198 VanDerWaalsContact CG-O 3.24Å; D177-R198 PolarHBondContact N-O 3.1Å; D177-R198 VanDerWaalsContact OD2-CB 3.27Å; D177-R198 WeakPolarHBondContact OD2-CB 3.25Å; D177-L199 WeakPolarHBondContact OD1-CA 3.36Å; D177-L199 VanDerWaalsContact OD2-C 3.31Å; D177-L199 WeakPolarHBondContact OD2-CA 3.42Å; D177-L199 PolarHBondContact OD2-N 3.47Å; D177-G200 VanDerWaalsContact CG-N 3.32Å; D177-G200 PolarHBondContact OD1-N 3.34Å; D177-G200 PolarHBondContact OD2-N 2.75Å; D177-G201 PolarHBondContact OD2-N 3.47Å; D177-R364 IonicContact OD1-CZ 3.53Å; D177-R364 VanDerWaalsContact OD1-CZ 3.27Å; D177-R364 IonicContact OD1-NH1 3.34Å; D177-R364 PolarHBondContact OD1-NH1 3.37Å; D177-R364 IonicContact OD1-NH2 3.9Å; D177-R364 PolarHBondContact OD1-NH2 3.44Å
178E96.2Very high98.1Very high140 Ų14035.4 Ų35.465%0.65418%0.18SC*.G310 helixtrans57.514.6172.4-55.5174.6-163.500114.6D145 I176 D180D145-E178 HydrophobicContact CB-CG 4.44Å; D145-E178 PolarHBondContact OD2-N 3.33Å; I176-E178 PolarHBondContact O-N 3.43Å; E178-D180 PolarHBondContact O-N 3.13Å
179G96.5Very high98.1Very high28 Ų2836.1 Ų36.129%0.28919%0.185SC..G310 helixtrans63.316.2-172.800000114.4K173 D177 F181K173-G179 WeakPolarHBondContact O-CA 3.38Å; D177-G179 PolarHBondContact O-N 3.42Å; G179-F181 PolarHBondContact O-N 3.18Å; G179-F181 VanDerWaalsContact O-N 3.12Å
180D97.3Very high98.1Very high44 Ų4439.2 Ų39.224%0.23520%0.197CC..  trans-81.892.7-175.8-172.119.8000112.3K125 D177 E178K125-D180 WeakPolarHBondContact CE-OD1 3.42Å; K125-D180 WeakPolarHBondContact CE-OD2 3.4Å; K125-D180 VanDerWaalsContact NZ-CG 3.26Å; K125-D180 IonicContact NZ-OD1 2.84Å; K125-D180 PolarHBondContact NZ-OD1 3.38Å; K125-D180 IonicContact NZ-OD2 2.72Å; K125-D180 PolarHBondContact NZ-OD2 3.26Å; D177-D180 PolarHBondContact O-N 2.88Å; E178-D180 PolarHBondContact O-N 3.13Å
181F98.4Very high98.1Very high28 Ų2834.9 Ų34.912%0.12318%0.177CC..  trans-107.9116.3177.8-170.3-131.8000112.2I172 I176 G179 E183 I193 G195 L196 A197 I206I172-F181 HydrophobicContact CG2-CB 4.48Å; I172-F181 HydrophobicContact CG2-CD1 4.19Å; I172-F181 HydrophobicContact CG2-CD2 3.96Å; I172-F181 HydrophobicContact CG2-CE1 4.39Å; I172-F181 HydrophobicContact CG2-CE2 4.17Å; I172-F181 HydrophobicContact CG2-CG 3.97Å; I172-F181 HydrophobicContact CG2-CZ 4.38Å; I176-F181 HydrophobicContact CD1-CB 3.64Å; I176-F181 HydrophobicContact CD1-CD2 4.44Å; I176-F181 HydrophobicContact CD1-CG 4.4Å; G179-F181 PolarHBondContact O-N 3.18Å; G179-F181 VanDerWaalsContact O-N 3.12Å; F181-E183 HydrophobicContact CD1-CB 3.76Å; F181-E183 HydrophobicContact CD1-CG 4.36Å; F181-E183 HydrophobicContact CE1-CB 3.56Å; F181-E183 HydrophobicContact CE1-CG 3.71Å; F181-E183 HydrophobicContact CZ-CB 4.38Å; F181-E183 HydrophobicContact CZ-CG 4.45Å; F181-E183 PolarHBondContact O-N 3.27Å; F181-I193 HydrophobicContact CE1-CG2 3.59Å; F181-I193 HydrophobicContact CZ-CG2 3.77Å; F181-G195 VanDerWaalsContact CE2-C 3.47Å; F181-G195 VanDerWaalsContact CE2-CA 3.49Å; F181-L196 WeakPolarHBondContact CD2-O 3.32Å; F181-A197 HydrophobicContact CD2-CB 4.13Å; F181-I206 HydrophobicContact CD2-CD1 4.44Å; F181-I206 HydrophobicContact CE2-CB 4.1Å; F181-I206 HydrophobicContact CE2-CD1 4.17Å; F181-I206 HydrophobicContact CE2-CG1 4.48Å
182F98.4Very high98.1Very high7 Ų734.9 Ų34.93%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-86.284.9166.2-161.8-76.7000109.4F67 F113 F126 F129 I184 G195 L196F67-F182 HydrophobicContact CE1-CE1 4.27Å; F67-F182 HydrophobicContact CE1-CZ 4.47Å; F67-F182 AromaticContact CZ-CE1 3.95Å; F67-F182 HydrophobicContact CZ-CE1 3.95Å; F67-F182 HydrophobicContact CZ-CZ 4.07Å; F113-F182 HydrophobicContact CZ-CZ 4.37Å; F126-F182 HydrophobicContact CB-CD2 4.3Å; F126-F182 HydrophobicContact CB-CE1 4.4Å; F126-F182 HydrophobicContact CB-CE2 3.8Å; F126-F182 HydrophobicContact CB-CZ 3.85Å; F126-F182 AromaticContact CD2-CD1 3.57Å; F126-F182 HydrophobicContact CD2-CD1 3.57Å; F126-F182 HydrophobicContact CD2-CD2 4.33Å; F126-F182 AromaticContact CD2-CE1 3.44Å; F126-F182 HydrophobicContact CD2-CE1 3.44Å; F126-F182 VanDerWaalsContact CD2-CE1 3.44Å; F126-F182 HydrophobicContact CD2-CE2 4.22Å; F126-F182 HydrophobicContact CD2-CG 4.02Å; F126-F182 AromaticContact CD2-CZ 3.78Å; F126-F182 HydrophobicContact CD2-CZ 3.78Å; F126-F182 HydrophobicContact CE2-CD1 4.08Å; F126-F182 HydrophobicContact CE2-CE1 4.02Å; F126-F182 HydrophobicContact CG-CE1 4.18Å; F126-F182 HydrophobicContact CG-CE2 4.43Å; F126-F182 HydrophobicContact CG-CZ 4.08Å; F129-F182 HydrophobicContact CE2-CB 4.04Å; F129-F182 HydrophobicContact CZ-CB 4.36Å; F182-I184 HydrophobicContact CD1-CG1 4.12Å; F182-I184 HydrophobicContact CE1-CG1 4.44Å; F182-G195 CarbonylContact O-C 3.54Å; F182-G195 WeakPolarHBondContact O-CA 3.45Å; F182-L196 PolarHBondContact N-O 3.41Å; F182-L196 PolarHBondContact O-N 3.43Å
183E98.7Very high98.1Very high46 Ų4635 Ų3522%0.21518%0.177CC..EExtended strand (participates in β ladder)trans-65.2137.2175.6-167.6172.8-179.500111.5R111 F181 P186 I193R111-E183 PolarHBondContact NH1-O 2.87Å; F181-E183 HydrophobicContact CD1-CB 3.76Å; F181-E183 HydrophobicContact CD1-CG 4.36Å; F181-E183 HydrophobicContact CE1-CB 3.56Å; F181-E183 HydrophobicContact CE1-CG 3.71Å; F181-E183 HydrophobicContact CZ-CB 4.38Å; F181-E183 HydrophobicContact CZ-CG 4.45Å; F181-E183 PolarHBondContact O-N 3.27Å; E183-P186 HydrophobicContact CG-CB 3.99Å; E183-I193 HydrophobicContact CG-CG2 4.38Å
184I98.7Very high98.2Very high1 Ų130 Ų301%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-113.1131.4180-64174.1000108.5F65 H110 F126 F182 I194 L196 F229F65-I184 HydrophobicContact CD1-CD1 4.41Å; F65-I184 HydrophobicContact CD1-CG2 4.4Å; F65-I184 HydrophobicContact CE1-CD1 3.67Å; F65-I184 HydrophobicContact CE1-CG2 4.15Å; F65-I184 HydrophobicContact CZ-CD1 4.11Å; H110-I184 HydrophobicContact CB-CG2 4.18Å; F126-I184 HydrophobicContact CE2-CD1 4.23Å; F182-I184 HydrophobicContact CD1-CG1 4.12Å; F182-I184 HydrophobicContact CE1-CG1 4.44Å; I184-I194 HydrophobicContact CB-CD1 4.1Å; I184-I194 HydrophobicContact CB-CG1 3.99Å; I184-I194 HydrophobicContact CG2-CD1 3.78Å; I184-I194 HydrophobicContact CG2-CG1 4.22Å; I184-I194 PolarHBondContact N-O 2.95Å; I184-I194 WeakPolarHBondContact O-CG1 3.34Å; I184-L196 HydrophobicContact CD1-CG 4.32Å; I184-F229 HydrophobicContact CD1-CD2 3.98Å; I184-F229 HydrophobicContact CD1-CE2 3.62Å
185M98.6Very high98.2Very high12 Ų1227.5 Ų27.56%0.05914%0.142CC..SBendtrans54.149.8-174.2-61.3176.794.700113.4G107 H110 M187 Y188 K225G107-M185 WeakPolarHBondContact O-CE 3.39Å; H110-M185 HydrophobicContact CB-CG 4.23Å; H110-M185 WeakPolarHBondContact O-CA 3.26Å; H110-M185 PolarHBondContact O-N 2.95Å; M185-M187 PolarHBondContact O-N 3.39Å; M185-Y188 HydrophobicContact CE-CD1 3.31Å; M185-Y188 HydrophobicContact CE-CE1 3.86Å; M185-Y188 HydrophobicContact CE-CG 3.88Å; M185-Y188 PolarHBondContact O-N 3.32Å; M185-Y188 VanDerWaalsContact O-O 3.05Å; M185-Y188 HydrophobicContact SD-CD1 4.34Å; M185-K225 HydrophobicContact CB-CD 4.08Å; M185-K225 PolarHBondContact O-NZ 3.47Å; M185-K225 HydrophobicContact SD-CB 4.41Å; M185-K225 HydrophobicContact SD-CD 4.36Å; M185-K225 HydrophobicContact SD-CG 3.92Å
186P98.2Very high98.3Very high36 Ų3627.5 Ų27.523%0.23414%0.142CC..THydrogen-bonded Turntrans-61.3-22.5-176.725.8-35.5000113.3E183E183-P186 HydrophobicContact CG-CB 3.99Å
187M98.1Very high98.3Very high94 Ų9427.5 Ų27.546%0.46314%0.142SC..THydrogen-bonded Turntrans-103.6-4.9-174.9-63.6-58.4-7800114.7T103 T104 M185T103-M187 CarbonylContact O-C 3.53Å; T103-M187 WeakPolarHBondContact O-CB 3.44Å; T104-M187 HydrophobicContact CG2-CB 3.85Å; M185-M187 PolarHBondContact O-N 3.39Å
188Y98.6Very high98.3Very high17 Ų1728 Ų287%0.06714%0.144CC..SBendtrans-117.8136.8-180178.5-98.7000110.9T103 I105 M185 K190 N221 K225T103-Y188 WeakPolarHBondContact O-CB 3.23Å; T103-Y188 PolarHBondContact O-N 2.95Å; I105-Y188 WeakPolarHBondContact O-CE2 3.29Å; M185-Y188 HydrophobicContact CE-CD1 3.31Å; M185-Y188 HydrophobicContact CE-CE1 3.86Å; M185-Y188 HydrophobicContact CE-CG 3.88Å; M185-Y188 PolarHBondContact O-N 3.32Å; M185-Y188 VanDerWaalsContact O-O 3.05Å; M185-Y188 HydrophobicContact SD-CD1 4.34Å; Y188-K190 PolarHBondContact O-N 2.93Å; Y188-N221 HydrophobicContact CE1-CB 3.99Å; Y188-N221 HydrophobicContact CE2-CB 4.41Å; Y188-N221 WeakPolarHBondContact OH-CB 3.4Å; Y188-N221 PolarHBondContact OH-OD1 3.24Å; Y188-K225 HydrophobicContact CD1-CD 4.38Å; Y188-K225 HydrophobicContact CE1-CB 4.5Å; Y188-K225 WeakPolarHBondContact O-CD 3.27Å; Y188-K225 PolarHBondContact O-NZ 3.46Å
189A98.2Very high98.4Very high14 Ų1421.5 Ų21.512%0.11611%0.113CC..SBendtrans46.358.2-178.300000112.5N191 I192 N221 A222 K225A189-N191 WeakPolarHBondContact CA-OD1 3.3Å; A189-N191 PolarHBondContact O-N 3.19Å; A189-N191 VanDerWaalsContact O-N 3.08Å; A189-N191 PolarHBondContact O-OD1 2.86Å; A189-I192 PolarHBondContact O-N 3.46Å; A189-I192 VanDerWaalsContact O-N 3.1Å; A189-N221 HydrophobicContact CB-CB 3.79Å; A189-A222 HydrophobicContact CB-CB 4.31Å; A189-K225 HydrophobicContact CB-CB 4.46Å; A189-K225 HydrophobicContact CB-CD 3.88Å; A189-K225 PolarHBondContact O-NZ 3.5Å
190K98.6Very high98.4Very high91 Ų9121.1 Ų21.140%0.39611%0.11SC..THydrogen-bonded Turntrans-66.6-8.9-171.1-59.6-179.6173.9-177.50114.4Y188 I192 Q210 V213Y188-K190 PolarHBondContact O-N 2.93Å; K190-I192 PolarHBondContact O-N 3.26Å; K190-Q210 VanDerWaalsContact O-CB 3.22Å; K190-Q210 WeakPolarHBondContact O-CB 3.3Å; K190-Q210 WeakPolarHBondContact O-CG 3.26Å; K190-V213 HydrophobicContact CB-CB 4.28Å; K190-V213 HydrophobicContact CB-CG1 4.01Å; K190-V213 HydrophobicContact CB-CG2 3.87Å
191N98.5Very high98.3Very high5 Ų519.1 Ų19.13%0.02710%0.099CC..THydrogen-bonded Turntrans-70.5-14.1171.351.5-44.6000113.3A189 Q210 V213 C217 D219 A222A189-N191 WeakPolarHBondContact CA-OD1 3.3Å; A189-N191 PolarHBondContact O-N 3.19Å; A189-N191 VanDerWaalsContact O-N 3.08Å; A189-N191 PolarHBondContact O-OD1 2.86Å; N191-Q210 PolarHBondContact O-N 3.17Å; N191-V213 HydrophobicContact CB-CB 4.37Å; N191-V213 HydrophobicContact CB-CG1 4.14Å; N191-V213 WeakPolarHBondContact CB-O 3.34Å; N191-C217 PolarHBondContact ND2-O 2.91Å; N191-D219 PolarHBondContact ND2-OD1 3.37Å; N191-A222 VanDerWaalsContact ND2-CB 3.34Å; N191-A222 WeakPolarHBondContact ND2-CB 3.46Å
192I98.8Very high98.3Very high0 Ų020.7 Ų20.70%010%0.104CC..EExtended strand (participates in β ladder)trans-130.3135.1168.4-157.9171.5000110.2A189 K190 V207 A208 L218 A222 K225 L267A189-I192 PolarHBondContact O-N 3.46Å; A189-I192 VanDerWaalsContact O-N 3.1Å; K190-I192 PolarHBondContact O-N 3.26Å; I192-V207 HydrophobicContact CD1-CG1 3.74Å; I192-V207 HydrophobicContact CG1-CG1 4.16Å; I192-A208 CarbonylContact C-O 3.48Å; I192-A208 WeakPolarHBondContact CA-O 3.08Å; I192-A208 WeakPolarHBondContact CG1-O 3.39Å; I192-L218 HydrophobicContact CD1-CD2 4.01Å; I192-A222 HydrophobicContact CB-CB 3.92Å; I192-A222 HydrophobicContact CG2-CB 3.51Å; I192-K225 HydrophobicContact CG2-CB 4.42Å; I192-K225 HydrophobicContact CG2-CD 3.78Å; I192-K225 HydrophobicContact CG2-CG 4.18Å; I192-K225 VanDerWaalsContact O-CE 3.28Å; I192-K225 WeakPolarHBondContact O-CE 3.48Å; I192-K225 PolarHBondContact O-NZ 2.86Å; I192-L267 HydrophobicContact CD1-CD2 4.38Å
193I98.9Very high98.3Very high3 Ų320.5 Ų20.52%0.01510%0.103CC..EExtended strand (participates in β ladder)trans-100.2133.9175.7-60.4152.7000107.4M168 T169 I172 F181 E183 V207 A208 Q210M168-I193 HydrophobicContact CB-CD1 3.79Å; M168-I193 HydrophobicContact CG-CD1 4.13Å; T169-I193 HydrophobicContact CG2-CD1 3.61Å; T169-I193 HydrophobicContact CG2-CG1 4.26Å; I172-I193 HydrophobicContact CD1-CB 4.34Å; I172-I193 HydrophobicContact CD1-CD1 4.18Å; I172-I193 HydrophobicContact CD1-CG2 3.79Å; F181-I193 HydrophobicContact CE1-CG2 3.59Å; F181-I193 HydrophobicContact CZ-CG2 3.77Å; E183-I193 HydrophobicContact CG-CG2 4.38Å; I193-V207 WeakPolarHBondContact O-CA 3.37Å; I193-A208 HydrophobicContact CB-CB 4.35Å; I193-A208 PolarHBondContact N-O 3.21Å; I193-A208 PolarHBondContact O-N 3.49Å; I193-Q210 HydrophobicContact CD1-CB 3.88Å; I193-Q210 HydrophobicContact CD1-CG 4.36Å; I193-Q210 HydrophobicContact CG1-CB 4.09Å
194I98.9Very high98.3Very high3 Ų318.3 Ų18.32%0.0159%0.093CC..EExtended strand (participates in β ladder)trans-132.5150.616961.3169.7000109.2I184 I206 V207 K225 F229I184-I194 HydrophobicContact CB-CD1 4.1Å; I184-I194 HydrophobicContact CB-CG1 3.99Å; I184-I194 HydrophobicContact CG2-CD1 3.78Å; I184-I194 HydrophobicContact CG2-CG1 4.22Å; I184-I194 PolarHBondContact N-O 2.95Å; I184-I194 WeakPolarHBondContact O-CG1 3.34Å; I194-I206 VanDerWaalsContact CA-O 3.25Å; I194-I206 WeakPolarHBondContact CA-O 3.38Å; I194-V207 HydrophobicContact CG2-CG1 4.28Å; I194-V207 HydrophobicContact CG2-CG2 4.19Å; I194-K225 HydrophobicContact CD1-CD 4.36Å; I194-K225 HydrophobicContact CD1-CG 3.56Å; I194-K225 HydrophobicContact CG1-CD 4.42Å; I194-K225 HydrophobicContact CG1-CG 4.07Å; I194-F229 HydrophobicContact CB-CB 4.25Å; I194-F229 HydrophobicContact CB-CD1 3.74Å; I194-F229 HydrophobicContact CB-CD2 4.32Å; I194-F229 HydrophobicContact CB-CE1 4.14Å; I194-F229 HydrophobicContact CB-CG 3.82Å; I194-F229 HydrophobicContact CD1-CB 3.59Å; I194-F229 HydrophobicContact CD1-CD2 4.08Å; I194-F229 HydrophobicContact CD1-CG 3.84Å; I194-F229 HydrophobicContact CG1-CB 4.47Å; I194-F229 HydrophobicContact CG1-CG 4.31Å; I194-F229 HydrophobicContact CG2-CB 4.22Å; I194-F229 HydrophobicContact CG2-CD1 3.9Å; I194-F229 HydrophobicContact CG2-CG 4.16Å
195G98.8Very high98.3Very high0 Ų018.2 Ų18.20%09%0.093CC..EExtended strand (participates in β ladder)trans171.1174.9174.900000113.1F181 F182 I206 F229F181-G195 VanDerWaalsContact CE2-C 3.47Å; F181-G195 VanDerWaalsContact CE2-CA 3.49Å; F182-G195 CarbonylContact O-C 3.54Å; F182-G195 WeakPolarHBondContact O-CA 3.45Å; G195-I206 PolarHBondContact N-O 2.95Å; G195-I206 PolarHBondContact O-N 3.05Å; G195-F229 WeakPolarHBondContact O-CZ 3.32Å
196L98.8Very high98.3Very high0 Ų017.7 Ų17.70%09%0.09CC..EExtended strand (participates in β ladder)trans-103.9140.5179.2-62.2171.7000109.9F126 F129 L130 F181 F182 I184 T203 V204 F229 I238F126-L196 HydrophobicContact CD2-CD1 4.27Å; F126-L196 HydrophobicContact CE2-CD1 3.61Å; F126-L196 HydrophobicContact CZ-CD1 4.27Å; F129-L196 HydrophobicContact CB-CB 4.16Å; F129-L196 HydrophobicContact CB-CD1 3.79Å; F129-L196 HydrophobicContact CD1-CB 3.96Å; F129-L196 HydrophobicContact CG-CB 4Å; F129-L196 HydrophobicContact CG-CD1 4.39Å; L130-L196 HydrophobicContact CD2-CD1 3.69Å; F181-L196 WeakPolarHBondContact CD2-O 3.32Å; F182-L196 PolarHBondContact N-O 3.41Å; F182-L196 PolarHBondContact O-N 3.43Å; I184-L196 HydrophobicContact CD1-CG 4.32Å; L196-T203 HydrophobicContact CD2-CG2 4.24Å; L196-V204 WeakPolarHBondContact CA-O 3.21Å; L196-F229 HydrophobicContact CD2-CE2 4.13Å; L196-F229 HydrophobicContact CD2-CZ 4.03Å; L196-F229 HydrophobicContact CG-CE2 4.37Å; L196-I238 HydrophobicContact CD2-CD1 4.1Å; L196-I238 HydrophobicContact CD2-CG2 4.32Å
197A98.6Very high98.4Very high0 Ų016 Ų160%08%0.079CC..EExtended strand (participates in β ladder)trans-141.8-175.9174.900000110I176 F181 T203 V204 I206I176-A197 HydrophobicContact CB-CB 3.97Å; I176-A197 HydrophobicContact CD1-CB 3.95Å; I176-A197 HydrophobicContact CG2-CB 3.54Å; F181-A197 HydrophobicContact CD2-CB 4.13Å; A197-T203 WeakPolarHBondContact O-CA 3.42Å; A197-V204 HydrophobicContact CB-CG2 4.06Å; A197-V204 PolarHBondContact N-O 3.25Å; A197-V204 PolarHBondContact O-N 2.94Å; A197-I206 HydrophobicContact CB-CD1 3.83Å
198R98.4Very high98.4Very high20 Ų2011.5 Ų11.58%0.0756%0.057CC..EExtended strand (participates in β ladder)trans-122.8148.6164.5-64.4-172.9-178.886.83111.7T128 F129 Q141 D177 R202T128-R198 PolarHBondContact O-NH2 3.48Å; T128-R198 PolarHBondContact OG1-NH2 2.95Å; F129-R198 HydrophobicContact CD1-CG 4.28Å; F129-R198 HydrophobicContact CE1-CG 4.07Å; Q141-R198 VanDerWaalsContact OE1-NH1 3.09Å; D177-R198 HydrophobicContact CB-CB 4.23Å; D177-R198 VanDerWaalsContact CG-C 3.49Å; D177-R198 VanDerWaalsContact CG-O 3.24Å; D177-R198 PolarHBondContact N-O 3.1Å; D177-R198 VanDerWaalsContact OD2-CB 3.27Å; D177-R198 WeakPolarHBondContact OD2-CB 3.25Å; R198-R202 CarbonylContact C-O 3.52Å; R198-R202 WeakPolarHBondContact CA-O 3.36Å
199L97.7Very high98.4Very high2 Ų210.7 Ų10.71%0.015%0.054CC..EExtended strand (participates in β ladder)trans-131.5116.6168.7-80170.2000108.1I175 D177 G201 R202 V204 I241 L367 L371I175-L199 WeakPolarHBondContact O-CD2 3.32Å; D177-L199 WeakPolarHBondContact OD1-CA 3.36Å; D177-L199 VanDerWaalsContact OD2-C 3.31Å; D177-L199 WeakPolarHBondContact OD2-CA 3.42Å; D177-L199 PolarHBondContact OD2-N 3.47Å; L199-G201 PolarHBondContact O-N 3.13Å; L199-R202 PolarHBondContact N-O 2.95Å; L199-R202 PolarHBondContact O-N 3.33Å; L199-R202 VanDerWaalsContact O-N 3.14Å; L199-V204 HydrophobicContact CB-CG1 4.4Å; L199-V204 HydrophobicContact CD1-CG1 4.33Å; L199-V204 HydrophobicContact CD1-CG2 4.15Å; L199-V204 HydrophobicContact CG-CG2 4.27Å; L199-I241 HydrophobicContact CD1-CD1 4.43Å; L199-I241 HydrophobicContact CD1-CG1 4.21Å; L199-L367 HydrophobicContact CD1-CB 4.04Å; L199-L367 HydrophobicContact CD1-CD1 4.11Å; L199-L371 HydrophobicContact CB-CD1 3.69Å; L199-L371 HydrophobicContact CD1-CD1 3.87Å; L199-L371 HydrophobicContact CG-CD1 4.45Å
200G96.3Very high98.4Very high21 Ų2110.6 Ų10.622%0.2165%0.051CC..THydrogen-bonded Turntrans56.638.3-173.600000112.7D177 R202D177-G200 VanDerWaalsContact CG-N 3.32Å; D177-G200 PolarHBondContact OD1-N 3.34Å; D177-G200 PolarHBondContact OD2-N 2.75Å; G200-R202 PolarHBondContact O-N 2.88Å
201G97Very high98.4Very high1 Ų16.5 Ų6.51%0.013%0.034CC..THydrogen-bonded Turntrans78.8-5.2-179.500000115.3I140 Q141 D177 L199I140-G201 WeakPolarHBondContact CA-O 3.4Å; Q141-G201 PolarHBondContact N-O 3.37Å; Q141-G201 VanDerWaalsContact O-CA 3.29Å; Q141-G201 WeakPolarHBondContact O-CA 3.34Å; D177-G201 PolarHBondContact OD2-N 3.47Å; L199-G201 PolarHBondContact O-N 3.13Å
202R97.6Very high98.3Very high61 Ų6111.7 Ų11.723%0.236%0.056CC..EExtended strand (participates in β ladder)trans-94.9132.1-178.6-59.9172.5178.1-92.311.4110.4I140 R198 L199 G200 V204 E375I140-R202 HydrophobicContact CD1-CG 4.43Å; I140-R202 HydrophobicContact CG1-CG 4.26Å; I140-R202 HydrophobicContact CG2-CG 4.42Å; R198-R202 CarbonylContact C-O 3.52Å; R198-R202 WeakPolarHBondContact CA-O 3.36Å; L199-R202 PolarHBondContact N-O 2.95Å; L199-R202 PolarHBondContact O-N 3.33Å; L199-R202 VanDerWaalsContact O-N 3.14Å; G200-R202 PolarHBondContact O-N 2.88Å; R202-V204 PolarHBondContact O-N 2.85Å; R202-E375 IonicContact CZ-OE1 3.27Å; R202-E375 IonicContact CZ-OE2 2.76Å; R202-E375 IonicContact NH1-OE1 3.73Å; R202-E375 PolarHBondContact NH1-OE1 3.23Å; R202-E375 IonicContact NH1-OE2 3.47Å; R202-E375 PolarHBondContact NH1-OE2 3.42Å; R202-E375 IonicContact NH2-OE1 3.57Å; R202-E375 IonicContact NH2-OE2 3.52Å; R202-E375 PolarHBondContact NH2-OE2 3.49Å
203T98.5Very high98.2Very high3 Ų313.9 Ų13.92%0.0187%0.07CC..EExtended strand (participates in β ladder)trans-64.5135.1175.5-62.70000111.9F129 P138 L196 A197 I238 P239F129-T203 HydrophobicContact CB-CG2 3.93Å; F129-T203 HydrophobicContact CD1-CG2 4.13Å; F129-T203 VanDerWaalsContact O-CG2 3.3Å; F129-T203 WeakPolarHBondContact O-CG2 3.49Å; F129-T203 PolarHBondContact O-OG1 3.47Å; P138-T203 HydrophobicContact CB-CG2 4.49Å; L196-T203 HydrophobicContact CD2-CG2 4.24Å; A197-T203 WeakPolarHBondContact O-CA 3.42Å; T203-I238 HydrophobicContact CG2-CG2 4.06Å; T203-P239 WeakPolarHBondContact O-CD 3.2Å
204V98.8Very high98Very high0 Ų016.7 Ų16.70%09%0.09CC..EExtended strand (participates in β ladder)trans-130.3146.5172.7-62.50000110.8L196 A197 L199 R202 I206 P239 I241 L371L196-V204 WeakPolarHBondContact CA-O 3.21Å; A197-V204 HydrophobicContact CB-CG2 4.06Å; A197-V204 PolarHBondContact N-O 3.25Å; A197-V204 PolarHBondContact O-N 2.94Å; L199-V204 HydrophobicContact CB-CG1 4.4Å; L199-V204 HydrophobicContact CD1-CG1 4.33Å; L199-V204 HydrophobicContact CD1-CG2 4.15Å; L199-V204 HydrophobicContact CG-CG2 4.27Å; R202-V204 PolarHBondContact O-N 2.85Å; V204-I206 HydrophobicContact CG2-CG1 4.25Å; V204-P239 HydrophobicContact CG1-CB 4.4Å; V204-I241 HydrophobicContact CB-CG1 4.03Å; V204-I241 HydrophobicContact CG1-CG1 4.3Å; V204-I241 HydrophobicContact CG2-CG1 4.25Å; V204-L371 HydrophobicContact CG1-CD1 3.69Å; V204-L371 HydrophobicContact CG1-CD2 4.09Å
205G98.9Very high97.8Very high0 Ų019.1 Ų19.10%011%0.11CC..EExtended strand (participates in β ladder)trans-94126.7167.500000109.6I238 P239 L240 I241G205-I238 VanDerWaalsContact N-CG2 3.33Å; G205-P239 PolarHBondContact N-O 3.06Å; G205-L240 CarbonylContact O-C 3.59Å; G205-L240 WeakPolarHBondContact O-CA 3.37Å; G205-I241 PolarHBondContact O-N 2.95Å
206I98.9Very high97.8Very high0 Ų019.1 Ų19.10%011%0.11CC..EExtended strand (participates in β ladder)trans-104.8134.6179.1-60.5-179.4000109I172 I176 F181 I194 G195 A197 V204 A208 F229 I241I172-I206 HydrophobicContact CD1-CG2 3.96Å; I172-I206 HydrophobicContact CG1-CG2 4.1Å; I172-I206 HydrophobicContact CG2-CD1 3.79Å; I176-I206 HydrophobicContact CG2-CD1 3.57Å; F181-I206 HydrophobicContact CD2-CD1 4.44Å; F181-I206 HydrophobicContact CE2-CB 4.1Å; F181-I206 HydrophobicContact CE2-CD1 4.17Å; F181-I206 HydrophobicContact CE2-CG1 4.48Å; I194-I206 VanDerWaalsContact CA-O 3.25Å; I194-I206 WeakPolarHBondContact CA-O 3.38Å; G195-I206 PolarHBondContact N-O 2.95Å; G195-I206 PolarHBondContact O-N 3.05Å; A197-I206 HydrophobicContact CB-CD1 3.83Å; V204-I206 HydrophobicContact CG2-CG1 4.25Å; I206-A208 HydrophobicContact CG2-CB 4.37Å; I206-F229 WeakPolarHBondContact O-CE1 3.25Å; I206-I241 WeakPolarHBondContact CA-O 3.24Å; I206-I241 HydrophobicContact CG1-CB 4.34Å
207V98.9Very high97.7Very high0 Ų019.9 Ų19.90%012%0.115CC..EExtended strand (participates in β ladder)trans-127.7118.8168.9-176.90000108.2I192 I193 I194 F229 V230 L240 I241 T242 L243 Y271 M294I192-V207 HydrophobicContact CD1-CG1 3.74Å; I192-V207 HydrophobicContact CG1-CG1 4.16Å; I193-V207 WeakPolarHBondContact O-CA 3.37Å; I194-V207 HydrophobicContact CG2-CG1 4.28Å; I194-V207 HydrophobicContact CG2-CG2 4.19Å; V207-F229 HydrophobicContact CG2-CD1 3.71Å; V207-F229 HydrophobicContact CG2-CE1 3.99Å; V207-V230 HydrophobicContact CG2-CG2 3.92Å; V207-L240 HydrophobicContact CG2-CD2 4.45Å; V207-I241 PolarHBondContact N-O 3.26Å; V207-T242 CarbonylContact O-C 3.6Å; V207-T242 VanDerWaalsContact O-CA 3.24Å; V207-T242 WeakPolarHBondContact O-CA 3.43Å; V207-L243 PolarHBondContact O-N 3.41Å; V207-Y271 VanDerWaalsContact CB-OH 3.23Å; V207-Y271 WeakPolarHBondContact CB-OH 3.45Å; V207-Y271 WeakPolarHBondContact CG1-OH 3.46Å; V207-M294 HydrophobicContact CG1-CE 4.17Å
208A98.9Very high97.7Very high0 Ų020 Ų200%012%0.115CC..EExtended strand (participates in β ladder)trans-139140.9-173.700000112.5M168 I172 I192 I193 I206 L243M168-A208 HydrophobicContact CG-CB 3.63Å; M168-A208 HydrophobicContact SD-CB 4.48Å; I172-A208 HydrophobicContact CD1-CB 3.91Å; I192-A208 CarbonylContact C-O 3.48Å; I192-A208 WeakPolarHBondContact CA-O 3.08Å; I192-A208 WeakPolarHBondContact CG1-O 3.39Å; I193-A208 HydrophobicContact CB-CB 4.35Å; I193-A208 PolarHBondContact N-O 3.21Å; I193-A208 PolarHBondContact O-N 3.49Å; I206-A208 HydrophobicContact CG2-CB 4.37Å; A208-L243 VanDerWaalsContact CA-O 3.3Å; A208-L243 WeakPolarHBondContact CA-O 3.21Å; A208-L243 HydrophobicContact CB-CB 3.8Å; A208-L243 HydrophobicContact CB-CD1 4.31Å; A208-L243 HydrophobicContact CB-CG 4.37Å
209N98.8Very high97.7Very high0 Ų019.9 Ų19.90%012%0.116CC..EExtended strand (participates in β ladder)trans-74.2143.8171.2-55.8104.5000110.1M168 P211 G216 L243 D245 M294M168-N209 VanDerWaalsContact CB-O 3.24Å; M168-N209 WeakPolarHBondContact CB-O 3.44Å; M168-N209 WeakPolarHBondContact CE-O 3.41Å; M168-N209 WeakPolarHBondContact CG-O 3.39Å; N209-P211 WeakPolarHBondContact O-CD 3.19Å; N209-G216 PolarHBondContact ND2-O 3.07Å; N209-L243 PolarHBondContact N-O 3.23Å; N209-D245 WeakPolarHBondContact CB-O 3.28Å; N209-D245 PolarHBondContact OD1-N 2.99Å; N209-M294 WeakPolarHBondContact OD1-CE 3.47Å
210Q98.5Very high97.7Very high13 Ų1320.7 Ų20.76%0.06112%0.121CC..  trans-110.899.9178.4174.352.9-81.600110.8Y166 D167 K190 N191 I193 K212 V213 G216Y166-Q210 PolarHBondContact O-OE1 3.45Å; D167-Q210 PolarHBondContact OD1-NE2 3.32Å; K190-Q210 VanDerWaalsContact O-CB 3.22Å; K190-Q210 WeakPolarHBondContact O-CB 3.3Å; K190-Q210 WeakPolarHBondContact O-CG 3.26Å; N191-Q210 PolarHBondContact O-N 3.17Å; I193-Q210 HydrophobicContact CD1-CB 3.88Å; I193-Q210 HydrophobicContact CD1-CG 4.36Å; I193-Q210 HydrophobicContact CG1-CB 4.09Å; Q210-K212 HydrophobicContact CG-CB 4.3Å; Q210-K212 PolarHBondContact O-N 3Å; Q210-V213 HydrophobicContact CG-CB 4.36Å; Q210-V213 HydrophobicContact CG-CG2 4.1Å; Q210-V213 PolarHBondContact O-N 3.37Å; Q210-V213 VanDerWaalsContact O-N 3.07Å; Q210-G216 WeakPolarHBondContact O-CA 3.47Å; Q210-G216 PolarHBondContact O-N 3.45Å
211P97.7Very high97.8Very high5 Ų522.7 Ų22.73%0.03213%0.126CC..THydrogen-bonded Turntrans-59.2-27.9-179-26.937.2000114.4A165 Y166 N209 V213 A215 D245A165-P211 HydrophobicContact CB-CB 4.12Å; Y166-P211 HydrophobicContact CD1-CG 4.44Å; Y166-P211 HydrophobicContact CE1-CB 4.49Å; Y166-P211 HydrophobicContact CE1-CG 3.91Å; Y166-P211 HydrophobicContact CE2-CG 4.27Å; N209-P211 WeakPolarHBondContact O-CD 3.19Å; P211-V213 PolarHBondContact O-N 2.94Å; P211-A215 WeakPolarHBondContact O-CA 3.07Å; P211-D245 HydrophobicContact CG-CB 4.04Å; P211-D245 WeakPolarHBondContact CG-OD2 3.22Å
212K97.1Very high97.9Very high113 Ų11322.6 Ų22.649%0.49113%0.126SC..THydrogen-bonded Turntrans-65.5-15.6176.9-76.3-178.2178.8176.30114A165 D167 Q210A165-K212 HydrophobicContact CB-CG 4.29Å; D167-K212 HydrophobicContact CB-CD 4.12Å; D167-K212 VanDerWaalsContact CB-NZ 3.32Å; D167-K212 IonicContact OD2-NZ 2.86Å; D167-K212 PolarHBondContact OD2-NZ 3.12Å; Q210-K212 HydrophobicContact CG-CB 4.3Å; Q210-K212 PolarHBondContact O-N 3Å
213V97.2Very high98Very high47 Ų4719.7 Ų19.729%0.28512%0.115SC..THydrogen-bonded Turntrans-126120.9-178.4-176.90000109.9K190 N191 Q210 P211 A215 G216K190-V213 HydrophobicContact CB-CB 4.28Å; K190-V213 HydrophobicContact CB-CG1 4.01Å; K190-V213 HydrophobicContact CB-CG2 3.87Å; N191-V213 HydrophobicContact CB-CB 4.37Å; N191-V213 HydrophobicContact CB-CG1 4.14Å; N191-V213 WeakPolarHBondContact CB-O 3.34Å; Q210-V213 HydrophobicContact CG-CB 4.36Å; Q210-V213 HydrophobicContact CG-CG2 4.1Å; Q210-V213 PolarHBondContact O-N 3.37Å; Q210-V213 VanDerWaalsContact O-N 3.07Å; P211-V213 PolarHBondContact O-N 2.94Å; V213-A215 PolarHBondContact O-N 2.81Å; V213-G216 PolarHBondContact O-N 3.38Å
214S94.7Very high98Very high62 Ų6222.1 Ų22.143%0.43413%0.127SC..G310 helixtrans49.933.9-179-55.40000113G216 C217S214-G216 PolarHBondContact O-N 2.76Å; S214-C217 VanDerWaalsContact O-CB 3.27Å; S214-C217 WeakPolarHBondContact O-CB 3.47Å; S214-C217 PolarHBondContact O-N 2.98Å; S214-C217 PolarHBondContact O-SG 3.06Å
215A94.7Very high98Very high53 Ų5322.4 Ų22.444%0.43813%0.128SC..G310 helixtrans53.921.5-175.500000115.1P211 V213 C217 P247P211-A215 WeakPolarHBondContact O-CA 3.07Å; V213-A215 PolarHBondContact O-N 2.81Å; A215-C217 VanDerWaalsContact C-N 3.29Å; A215-C217 PolarHBondContact O-N 2.99Å; A215-P247 HydrophobicContact CB-CG 4.4Å; A215-P247 WeakPolarHBondContact O-CD 3.44Å; A215-P247 WeakPolarHBondContact O-CG 3.27Å
216G97.2Very high98Very high0 Ų022.4 Ų22.40%013%0.128CC..G310 helixtrans77.37.6-175.200000114.9N209 Q210 V213 S214N209-G216 PolarHBondContact ND2-O 3.07Å; Q210-G216 WeakPolarHBondContact O-CA 3.47Å; Q210-G216 PolarHBondContact O-N 3.45Å; V213-G216 PolarHBondContact O-N 3.38Å; S214-G216 PolarHBondContact O-N 2.76Å
217C97.4Very high98Very high17 Ų1722.6 Ų22.612%0.11513%0.129CC..  trans-55.5143.8177.9-71.40000112N191 S214 A215 P247 G248 L250N191-C217 PolarHBondContact ND2-O 2.91Å; S214-C217 VanDerWaalsContact O-CB 3.27Å; S214-C217 WeakPolarHBondContact O-CB 3.47Å; S214-C217 PolarHBondContact O-N 2.98Å; S214-C217 PolarHBondContact O-SG 3.06Å; A215-C217 VanDerWaalsContact C-N 3.29Å; A215-C217 PolarHBondContact O-N 2.99Å; C217-P247 VanDerWaalsContact SG-CG 3.52Å; C217-G248 WeakPolarHBondContact CA-O 3.46Å; C217-L250 HydrophobicContact CB-CB 4.17Å
218L98.5Very high98Very high1 Ų127.6 Ų27.61%0.00515%0.149CC..BIsolated β-bridgetrans-80.3134.3167.4-68.5173.9000110.5I192 A222 V246 G248 F249 L250 L267 A290 V293 M294I192-L218 HydrophobicContact CD1-CD2 4.01Å; L218-A222 HydrophobicContact CD2-CB 4.45Å; L218-V246 HydrophobicContact CD1-CG2 4.43Å; L218-V246 HydrophobicContact CG-CG2 4.06Å; L218-G248 PolarHBondContact N-O 2.88Å; L218-F249 HydrophobicContact CB-CD1 3.63Å; L218-F249 HydrophobicContact CB-CE1 3.64Å; L218-F249 HydrophobicContact CB-CG 4.25Å; L218-F249 HydrophobicContact CB-CZ 4.25Å; L218-F249 HydrophobicContact CD1-CE1 4.17Å; L218-F249 HydrophobicContact CD1-CE2 4.45Å; L218-F249 HydrophobicContact CD1-CZ 3.99Å; L218-F249 CarbonylContact O-C 3.57Å; L218-F249 WeakPolarHBondContact O-CA 3.29Å; L218-F249 WeakPolarHBondContact O-CD1 3.43Å; L218-L250 PolarHBondContact O-N 2.6Å; L218-L267 HydrophobicContact CD1-CD2 4.35Å; L218-L267 HydrophobicContact CD2-CD2 4.08Å; L218-A290 HydrophobicContact CD1-CB 4.14Å; L218-V293 HydrophobicContact CD1-CB 4.17Å; L218-V293 HydrophobicContact CD1-CG1 3.94Å; L218-M294 HydrophobicContact CD1-CG 4.3Å; L218-M294 HydrophobicContact CD1-SD 4.02Å; L218-M294 HydrophobicContact CD2-SD 4.1Å
219D98.2Very high98Very high18 Ų1828 Ų2810%0.09615%0.15CC..  trans-131.2-177.2174.172.5-16000110N191 N221 A222 S223 L250N191-D219 PolarHBondContact ND2-OD1 3.37Å; D219-N221 VanDerWaalsContact C-N 3.32Å; D219-N221 PolarHBondContact O-N 3.32Å; D219-N221 PolarHBondContact OD1-N 3.14Å; D219-A222 WeakPolarHBondContact OD1-CB 3.29Å; D219-A222 PolarHBondContact OD1-N 3.29Å; D219-S223 VanDerWaalsContact O-CB 3.26Å; D219-S223 WeakPolarHBondContact O-CB 3.32Å; D219-S223 PolarHBondContact O-N 3.42Å; D219-S223 PolarHBondContact O-OG 2.77Å; D219-L250 HydrophobicContact CB-CB 4.03Å; D219-L250 HydrophobicContact CB-CD2 4.12Å
220I98.5Very high98Very high20 Ų2028 Ų2810%0.10315%0.15CC..Hα-helixtrans-53.2-51.2179.5-72.9163.4000110.9S223 I224 G258 I260 H263I220-S223 PolarHBondContact O-N 2.91Å; I220-I224 HydrophobicContact CG2-CD1 3.72Å; I220-I224 VanDerWaalsContact O-CG1 3.3Å; I220-I224 WeakPolarHBondContact O-CG1 3.33Å; I220-I224 PolarHBondContact O-N 3.27Å; I220-G258 WeakPolarHBondContact CD1-O 3.39Å; I220-I260 HydrophobicContact CB-CD1 4.45Å; I220-I260 HydrophobicContact CD1-CB 4.47Å; I220-I260 HydrophobicContact CG1-CB 4.01Å; I220-I260 HydrophobicContact CG1-CD1 3.75Å; I220-I260 HydrophobicContact CG1-CG1 4.47Å; I220-H263 HydrophobicContact CB-CB 4.23Å; I220-H263 HydrophobicContact CG1-CB 4.06Å; I220-H263 HydrophobicContact CG2-CB 3.88Å
221N98.5Very high98Very high62 Ų6231.6 Ų31.633%0.33216%0.163SC..Hα-helixtrans-70-42.9-172.2-66.6-21.5000111.5Y188 A189 D219 S223 I224 K225Y188-N221 HydrophobicContact CE1-CB 3.99Å; Y188-N221 HydrophobicContact CE2-CB 4.41Å; Y188-N221 WeakPolarHBondContact OH-CB 3.4Å; Y188-N221 PolarHBondContact OH-OD1 3.24Å; A189-N221 HydrophobicContact CB-CB 3.79Å; D219-N221 VanDerWaalsContact C-N 3.32Å; D219-N221 PolarHBondContact O-N 3.32Å; D219-N221 PolarHBondContact OD1-N 3.14Å; N221-S223 VanDerWaalsContact C-N 3.31Å; N221-S223 PolarHBondContact O-N 3.33Å; N221-I224 PolarHBondContact O-N 3.18Å; N221-K225 VanDerWaalsContact O-CB 3.26Å; N221-K225 WeakPolarHBondContact O-CB 3.18Å; N221-K225 PolarHBondContact O-N 2.76Å
222A98.6Very high98Very high0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-63.2-38.5174.600000112A189 N191 I192 L218 D219 K225 G226A189-A222 HydrophobicContact CB-CB 4.31Å; N191-A222 VanDerWaalsContact ND2-CB 3.34Å; N191-A222 WeakPolarHBondContact ND2-CB 3.46Å; I192-A222 HydrophobicContact CB-CB 3.92Å; I192-A222 HydrophobicContact CG2-CB 3.51Å; L218-A222 HydrophobicContact CD2-CB 4.45Å; D219-A222 WeakPolarHBondContact OD1-CB 3.29Å; D219-A222 PolarHBondContact OD1-N 3.29Å; A222-K225 PolarHBondContact O-N 2.98Å; A222-G226 PolarHBondContact O-N 3.09Å
223S98.6Very high98.1Very high0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-66.7-41.5178.4-56.40000111.6D219 I220 N221 A227 H263D219-S223 VanDerWaalsContact O-CB 3.26Å; D219-S223 WeakPolarHBondContact O-CB 3.32Å; D219-S223 PolarHBondContact O-N 3.42Å; D219-S223 PolarHBondContact O-OG 2.77Å; I220-S223 PolarHBondContact O-N 2.91Å; N221-S223 VanDerWaalsContact C-N 3.31Å; N221-S223 PolarHBondContact O-N 3.33Å; S223-A227 WeakPolarHBondContact O-CB 3.33Å; S223-A227 PolarHBondContact O-N 3.18Å; S223-H263 WeakPolarHBondContact CB-O 3.49Å
224I98.6Very high98.2Very high54 Ų5425.6 Ų25.628%0.27713%0.134SC..Hα-helixtrans-65.4-48.4175.2-66164.6000110.7I220 N221 A227 R228 H263 K266I220-I224 HydrophobicContact CG2-CD1 3.72Å; I220-I224 VanDerWaalsContact O-CG1 3.3Å; I220-I224 WeakPolarHBondContact O-CG1 3.33Å; I220-I224 PolarHBondContact O-N 3.27Å; N221-I224 PolarHBondContact O-N 3.18Å; I224-A227 PolarHBondContact O-N 3.16Å; I224-R228 PolarHBondContact O-N 2.98Å; I224-R228 VanDerWaalsContact O-N 3.13Å; I224-H263 HydrophobicContact CD1-CB 4.49Å; I224-H263 HydrophobicContact CG1-CB 4.38Å; I224-K266 HydrophobicContact CG1-CD 4.08Å
225K98.8Very high98.4Very high6 Ų624.2 Ų24.23%0.02613%0.127CC..Hα-helixtrans-55.2-54.8177.7172.7176.2171.5178.70111.2M185 Y188 A189 I192 I194 N221 A222 F229M185-K225 HydrophobicContact CB-CD 4.08Å; M185-K225 PolarHBondContact O-NZ 3.47Å; M185-K225 HydrophobicContact SD-CB 4.41Å; M185-K225 HydrophobicContact SD-CD 4.36Å; M185-K225 HydrophobicContact SD-CG 3.92Å; Y188-K225 HydrophobicContact CD1-CD 4.38Å; Y188-K225 HydrophobicContact CE1-CB 4.5Å; Y188-K225 WeakPolarHBondContact O-CD 3.27Å; Y188-K225 PolarHBondContact O-NZ 3.46Å; A189-K225 HydrophobicContact CB-CB 4.46Å; A189-K225 HydrophobicContact CB-CD 3.88Å; A189-K225 PolarHBondContact O-NZ 3.5Å; I192-K225 HydrophobicContact CG2-CB 4.42Å; I192-K225 HydrophobicContact CG2-CD 3.78Å; I192-K225 HydrophobicContact CG2-CG 4.18Å; I192-K225 VanDerWaalsContact O-CE 3.28Å; I192-K225 WeakPolarHBondContact O-CE 3.48Å; I192-K225 PolarHBondContact O-NZ 2.86Å; I194-K225 HydrophobicContact CD1-CD 4.36Å; I194-K225 HydrophobicContact CD1-CG 3.56Å; I194-K225 HydrophobicContact CG1-CD 4.42Å; I194-K225 HydrophobicContact CG1-CG 4.07Å; N221-K225 VanDerWaalsContact O-CB 3.26Å; N221-K225 WeakPolarHBondContact O-CB 3.18Å; N221-K225 PolarHBondContact O-N 2.76Å; A222-K225 PolarHBondContact O-N 2.98Å; K225-F229 PolarHBondContact O-N 2.9Å
226G98.7Very high98.6Very high0 Ų021.7 Ų21.70%011%0.106CC..Hα-helixtrans-62.7-43.3179.200000112.6A222 R228 F229 V230A222-G226 PolarHBondContact O-N 3.09Å; G226-R228 PolarHBondContact O-N 3.47Å; G226-F229 PolarHBondContact O-N 3.3Å; G226-V230 WeakPolarHBondContact O-CG2 3.3Å; G226-V230 PolarHBondContact O-N 2.99Å
227A98.8Very high98.6Very high3 Ų324.6 Ų24.63%0.02512%0.121CC..Hα-helixtrans-63.1-46-175.600000112.1S223 I224 F229 V230 R231 K266 L267 A270S223-A227 WeakPolarHBondContact O-CB 3.33Å; S223-A227 PolarHBondContact O-N 3.18Å; I224-A227 PolarHBondContact O-N 3.16Å; A227-F229 VanDerWaalsContact C-N 3.33Å; A227-F229 PolarHBondContact O-N 3.19Å; A227-V230 PolarHBondContact O-N 3.01Å; A227-R231 WeakPolarHBondContact O-CG 3.45Å; A227-R231 PolarHBondContact O-N 2.62Å; A227-R231 VanDerWaalsContact O-N 3.1Å; A227-K266 VanDerWaalsContact CB-C 3.48Å; A227-K266 HydrophobicContact CB-CB 3.66Å; A227-K266 WeakPolarHBondContact CB-O 3.28Å; A227-L267 HydrophobicContact CB-CB 4.4Å; A227-A270 HydrophobicContact CB-CB 4.16Å; A227-A270 WeakPolarHBondContact O-CB 3.39Å
228R98.9Very high98.7Very high106 Ų10623.8 Ų23.840%0.412%0.116SC..Hα-helixtrans-64-41.4179.7-168177.6-174.2-173.65.9111.2A61 T63 I224 G226 R231 F232A61-R228 PolarHBondContact O-NH2 3.25Å; T63-R228 PolarHBondContact O-NH2 2.83Å; I224-R228 PolarHBondContact O-N 2.98Å; I224-R228 VanDerWaalsContact O-N 3.13Å; G226-R228 PolarHBondContact O-N 3.47Å; R228-R231 PolarHBondContact O-N 2.98Å; R228-F232 PolarHBondContact O-N 2.92Å
229F98.9Very high98.7Very high7 Ų724.8 Ų24.83%0.03112%0.122CC..Hα-helixtrans-65-45178.7-178.6-104.7000113I184 I194 G195 L196 I206 V207 K225 G226 A227 R231 F232 C233I184-F229 HydrophobicContact CD1-CD2 3.98Å; I184-F229 HydrophobicContact CD1-CE2 3.62Å; I194-F229 HydrophobicContact CB-CB 4.25Å; I194-F229 HydrophobicContact CB-CD1 3.74Å; I194-F229 HydrophobicContact CB-CD2 4.32Å; I194-F229 HydrophobicContact CB-CE1 4.14Å; I194-F229 HydrophobicContact CB-CG 3.82Å; I194-F229 HydrophobicContact CD1-CB 3.59Å; I194-F229 HydrophobicContact CD1-CD2 4.08Å; I194-F229 HydrophobicContact CD1-CG 3.84Å; I194-F229 HydrophobicContact CG1-CB 4.47Å; I194-F229 HydrophobicContact CG1-CG 4.31Å; I194-F229 HydrophobicContact CG2-CB 4.22Å; I194-F229 HydrophobicContact CG2-CD1 3.9Å; I194-F229 HydrophobicContact CG2-CG 4.16Å; G195-F229 WeakPolarHBondContact O-CZ 3.32Å; L196-F229 HydrophobicContact CD2-CE2 4.13Å; L196-F229 HydrophobicContact CD2-CZ 4.03Å; L196-F229 HydrophobicContact CG-CE2 4.37Å; I206-F229 WeakPolarHBondContact O-CE1 3.25Å; V207-F229 HydrophobicContact CG2-CD1 3.71Å; V207-F229 HydrophobicContact CG2-CE1 3.99Å; K225-F229 PolarHBondContact O-N 2.9Å; G226-F229 PolarHBondContact O-N 3.3Å; A227-F229 VanDerWaalsContact C-N 3.33Å; A227-F229 PolarHBondContact O-N 3.19Å; F229-R231 VanDerWaalsContact C-N 3.33Å; F229-R231 PolarHBondContact O-N 3.19Å; F229-F232 PolarHBondContact O-N 3.49Å; F229-C233 WeakPolarHBondContact CZ-SG 3.24Å; F229-C233 PolarHBondContact O-N 2.99Å; F229-C233 PolarHBondContact O-SG 3.43Å
230V98.9Very high98.7Very high0 Ų023.9 Ų23.90%012%0.117CC..Hα-helixtrans-58.3-45.5175.4166.20000110.9V207 G226 A227 C233 D234 L240 L267 A270 Y271 A274V207-V230 HydrophobicContact CG2-CG2 3.92Å; G226-V230 WeakPolarHBondContact O-CG2 3.3Å; G226-V230 PolarHBondContact O-N 2.99Å; A227-V230 PolarHBondContact O-N 3.01Å; V230-C233 PolarHBondContact O-N 2.93Å; V230-D234 PolarHBondContact O-N 3.13Å; V230-L240 HydrophobicContact CB-CD1 4.36Å; V230-L240 HydrophobicContact CG1-CD1 3.76Å; V230-L240 HydrophobicContact CG2-CD1 4.33Å; V230-L240 HydrophobicContact CG2-CD2 4.37Å; V230-L267 HydrophobicContact CG2-CD1 4.27Å; V230-A270 HydrophobicContact CB-CB 3.85Å; V230-A270 HydrophobicContact CG1-CB 3.61Å; V230-Y271 HydrophobicContact CG1-CD1 4.02Å; V230-Y271 HydrophobicContact CG1-CE1 4.27Å; V230-Y271 HydrophobicContact CG1-CG 4.37Å; V230-Y271 HydrophobicContact CG2-CD1 4.25Å; V230-Y271 HydrophobicContact CG2-CE1 3.74Å; V230-Y271 HydrophobicContact CG2-CE2 4.14Å; V230-A274 HydrophobicContact CG1-CB 4.36Å
231R98.9Very high98.7Very high89 Ų8923 Ų2334%0.33611%0.113SC..Hα-helixtrans-66.7-37.5178.6-66.9-16878-126.2-5.8112.8A227 R228 F229 A235 A270 E273A227-R231 WeakPolarHBondContact O-CG 3.45Å; A227-R231 PolarHBondContact O-N 2.62Å; A227-R231 VanDerWaalsContact O-N 3.1Å; R228-R231 PolarHBondContact O-N 2.98Å; F229-R231 VanDerWaalsContact C-N 3.33Å; F229-R231 PolarHBondContact O-N 3.19Å; R231-A235 VanDerWaalsContact O-CB 3.29Å; R231-A235 WeakPolarHBondContact O-CB 3.46Å; R231-A235 PolarHBondContact O-N 3.32Å; R231-A270 HydrophobicContact CG-CB 3.71Å; R231-E273 IonicContact CZ-OE2 3.55Å; R231-E273 IonicContact NE-OE2 2.86Å; R231-E273 PolarHBondContact NE-OE2 3Å; R231-E273 IonicContact NH2-OE2 3.75Å; R231-E273 PolarHBondContact NH2-OE2 3.44Å
232F98.9Very high98.7Very high14 Ų1420 Ų206%0.06110%0.097CC..Hα-helixtrans-60.6-50172.7172.7-92.1000110.8D64 F65 L130 R228 F229 D234 A235 F236 I238D64-F232 HydrophobicContact CB-CD2 3.7Å; D64-F232 HydrophobicContact CB-CE2 3.7Å; F65-F232 HydrophobicContact CD2-CE2 4.39Å; F65-F232 AromaticContact CE2-CD1 3.93Å; F65-F232 HydrophobicContact CE2-CD1 3.93Å; F65-F232 AromaticContact CE2-CD2 3.8Å; F65-F232 HydrophobicContact CE2-CD2 3.8Å; F65-F232 AromaticContact CE2-CE1 3.64Å; F65-F232 HydrophobicContact CE2-CE1 3.64Å; F65-F232 AromaticContact CE2-CE2 3.49Å; F65-F232 HydrophobicContact CE2-CE2 3.49Å; F65-F232 VanDerWaalsContact CE2-CE2 3.49Å; F65-F232 HydrophobicContact CE2-CG 4.02Å; F65-F232 AromaticContact CE2-CZ 3.44Å; F65-F232 HydrophobicContact CE2-CZ 3.44Å; F65-F232 VanDerWaalsContact CE2-CZ 3.44Å; F65-F232 AromaticContact CZ-CD1 3.64Å; F65-F232 HydrophobicContact CZ-CD1 3.64Å; F65-F232 HydrophobicContact CZ-CD2 4.07Å; F65-F232 AromaticContact CZ-CE1 3.74Å; F65-F232 HydrophobicContact CZ-CE1 3.74Å; F65-F232 HydrophobicContact CZ-CE2 4.16Å; F65-F232 AromaticContact CZ-CG 3.83Å; F65-F232 HydrophobicContact CZ-CG 3.83Å; F65-F232 HydrophobicContact CZ-CZ 4.03Å; L130-F232 HydrophobicContact CD1-CZ 4.26Å; L130-F232 HydrophobicContact CD2-CE1 3.82Å; L130-F232 HydrophobicContact CD2-CZ 3.74Å; R228-F232 PolarHBondContact O-N 2.92Å; F229-F232 PolarHBondContact O-N 3.49Å; F232-D234 VanDerWaalsContact C-N 3.32Å; F232-D234 PolarHBondContact O-N 3.43Å; F232-A235 PolarHBondContact O-N 2.98Å; F232-F236 AromaticContact CD2-CD2 3.58Å; F232-F236 HydrophobicContact CD2-CD2 3.58Å; F232-F236 AromaticContact CD2-CE2 3.65Å; F232-F236 HydrophobicContact CD2-CE2 3.65Å; F232-F236 HydrophobicContact CE1-CD2 4.3Å; F232-F236 AromaticContact CE2-CD2 3.23Å; F232-F236 HydrophobicContact CE2-CD2 3.23Å; F232-F236 AromaticContact CE2-CE2 3.3Å; F232-F236 HydrophobicContact CE2-CE2 3.3Å; F232-F236 HydrophobicContact CE2-CG 4.28Å; F232-F236 HydrophobicContact CE2-CZ 4.38Å; F232-F236 HydrophobicContact CG-CD2 4.23Å; F232-F236 AromaticContact CZ-CD2 3.61Å; F232-F236 HydrophobicContact CZ-CD2 3.61Å; F232-F236 HydrophobicContact CZ-CE2 4.09Å; F232-F236 HydrophobicContact CZ-CG 4.3Å; F232-F236 WeakPolarHBondContact O-CD2 3.31Å; F232-F236 PolarHBondContact O-N 3.46Å; F232-I238 HydrophobicContact CD1-CD1 4.47Å; F232-I238 HydrophobicContact CE1-CD1 3.84Å
233C98.9Very high98.8Very high0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-58.4-46179.6-66.60000111.3F229 V230 F236 N237 I238 L240F229-C233 WeakPolarHBondContact CZ-SG 3.24Å; F229-C233 PolarHBondContact O-N 2.99Å; F229-C233 PolarHBondContact O-SG 3.43Å; V230-C233 PolarHBondContact O-N 2.93Å; C233-F236 CarbonylContact O-C 3.59Å; C233-F236 PolarHBondContact O-N 3Å; C233-N237 PolarHBondContact O-N 3.38Å; C233-N237 VanDerWaalsContact O-N 3.13Å; C233-I238 HydrophobicContact CB-CB 3.91Å; C233-I238 HydrophobicContact CB-CG2 4.3Å; C233-I238 PolarHBondContact O-N 2.99Å; C233-L240 HydrophobicContact CB-CD2 3.69Å; C233-L240 HydrophobicContact CB-CG 4.15Å
234D98.8Very high98.8Very high25 Ų2520 Ų2013%0.13410%0.097CC..Hα-helixtrans-62.1-45.6178-17463000112.7V230 F232 F236 N237 A274 T275 V276V230-D234 PolarHBondContact O-N 3.13Å; F232-D234 VanDerWaalsContact C-N 3.32Å; F232-D234 PolarHBondContact O-N 3.43Å; D234-F236 PolarHBondContact O-N 3.25Å; D234-F236 VanDerWaalsContact O-N 3.13Å; D234-N237 PolarHBondContact O-N 3.18Å; D234-A274 HydrophobicContact CB-CB 3.94Å; D234-A274 VanDerWaalsContact CG-CA 3.47Å; D234-A274 WeakPolarHBondContact OD1-CA 3.4Å; D234-T275 PolarHBondContact OD1-N 2.93Å; D234-T275 PolarHBondContact OD1-OG1 2.9Å; D234-V276 HydrophobicContact CB-CG2 4.26Å; D234-V276 PolarHBondContact OD1-N 2.81Å
235A98.6Very high98.7Very high34 Ų3417.5 Ų17.528%0.2818%0.084SC..Hα-helixtrans-60.8-25.2179.300000113.4N134 R231 F232N134-A235 VanDerWaalsContact CB-O 3.23Å; N134-A235 WeakPolarHBondContact CB-O 3.32Å; R231-A235 VanDerWaalsContact O-CB 3.29Å; R231-A235 WeakPolarHBondContact O-CB 3.46Å; R231-A235 PolarHBondContact O-N 3.32Å; F232-A235 PolarHBondContact O-N 2.98Å
236F98.7Very high98.7Very high0 Ų017.2 Ų17.20%08%0.083CC..THydrogen-bonded Turntrans-114.724.9-178.2-68.7-70.7000113I42 P43 P131 N134 F232 C233 D234 I238I42-F236 VanDerWaalsContact C-CZ 3.45Å; P43-F236 HydrophobicContact CG-CD1 4.21Å; P43-F236 HydrophobicContact CG-CE1 3.89Å; P43-F236 HydrophobicContact CG-CZ 4.22Å; P131-F236 HydrophobicContact CG-CB 3.74Å; P131-F236 HydrophobicContact CG-CD1 4.1Å; P131-F236 HydrophobicContact CG-CG 4.33Å; P131-F236 WeakPolarHBondContact CG-O 3.39Å; N134-F236 HydrophobicContact CB-CD1 4.35Å; N134-F236 HydrophobicContact CB-CE1 4.46Å; F232-F236 AromaticContact CD2-CD2 3.58Å; F232-F236 HydrophobicContact CD2-CD2 3.58Å; F232-F236 AromaticContact CD2-CE2 3.65Å; F232-F236 HydrophobicContact CD2-CE2 3.65Å; F232-F236 HydrophobicContact CE1-CD2 4.3Å; F232-F236 AromaticContact CE2-CD2 3.23Å; F232-F236 HydrophobicContact CE2-CD2 3.23Å; F232-F236 AromaticContact CE2-CE2 3.3Å; F232-F236 HydrophobicContact CE2-CE2 3.3Å; F232-F236 HydrophobicContact CE2-CG 4.28Å; F232-F236 HydrophobicContact CE2-CZ 4.38Å; F232-F236 HydrophobicContact CG-CD2 4.23Å; F232-F236 AromaticContact CZ-CD2 3.61Å; F232-F236 HydrophobicContact CZ-CD2 3.61Å; F232-F236 HydrophobicContact CZ-CE2 4.09Å; F232-F236 HydrophobicContact CZ-CG 4.3Å; F232-F236 WeakPolarHBondContact O-CD2 3.31Å; F232-F236 PolarHBondContact O-N 3.46Å; C233-F236 CarbonylContact O-C 3.59Å; C233-F236 PolarHBondContact O-N 3Å; D234-F236 PolarHBondContact O-N 3.25Å; D234-F236 VanDerWaalsContact O-N 3.13Å; F236-I238 HydrophobicContact CB-CD1 4.43Å; F236-I238 HydrophobicContact CB-CG1 4.47Å; F236-I238 PolarHBondContact O-N 3.48Å; F236-I238 VanDerWaalsContact O-N 3.08Å
237N98.2Very high98.5Very high61 Ų6119.1 Ų19.133%0.32610%0.095SC..THydrogen-bonded Turntrans57.126.1173.2-49.8-62.6000114.5N134 E136 P138 C233 D234 P239N134-N237 PolarHBondContact O-ND2 3.28Å; E136-N237 PolarHBondContact O-ND2 2.92Å; P138-N237 VanDerWaalsContact CD-O 3.28Å; P138-N237 WeakPolarHBondContact CD-O 3.14Å; C233-N237 PolarHBondContact O-N 3.38Å; C233-N237 VanDerWaalsContact O-N 3.13Å; D234-N237 PolarHBondContact O-N 3.18Å; N237-P239 WeakPolarHBondContact O-CD 3.2Å
238I98.7Very high98.4Very high0 Ų019.6 Ų19.60%010%0.101CC..  trans-86.9118.8177.8-59.3171000108.5L130 P138 L196 T203 G205 F232 C233 F236L130-I238 HydrophobicContact CD2-CD1 4.28Å; P138-I238 HydrophobicContact CB-CG1 4.48Å; P138-I238 HydrophobicContact CG-CB 4.26Å; P138-I238 HydrophobicContact CG-CG1 3.57Å; L196-I238 HydrophobicContact CD2-CD1 4.1Å; L196-I238 HydrophobicContact CD2-CG2 4.32Å; T203-I238 HydrophobicContact CG2-CG2 4.06Å; G205-I238 VanDerWaalsContact N-CG2 3.33Å; F232-I238 HydrophobicContact CD1-CD1 4.47Å; F232-I238 HydrophobicContact CE1-CD1 3.84Å; C233-I238 HydrophobicContact CB-CB 3.91Å; C233-I238 HydrophobicContact CB-CG2 4.3Å; C233-I238 PolarHBondContact O-N 2.99Å; F236-I238 HydrophobicContact CB-CD1 4.43Å; F236-I238 HydrophobicContact CB-CG1 4.47Å; F236-I238 PolarHBondContact O-N 3.48Å; F236-I238 VanDerWaalsContact O-N 3.08Å
239P98.6Very high98.3Very high21 Ų2117.7 Ų17.714%0.13610%0.095CC..  trans-56.1147.5172.8-2635.9000112.7T203 V204 G205 N237 P277 L371T203-P239 WeakPolarHBondContact O-CD 3.2Å; V204-P239 HydrophobicContact CG1-CB 4.4Å; G205-P239 PolarHBondContact N-O 3.06Å; N237-P239 WeakPolarHBondContact O-CD 3.2Å; P239-P277 WeakPolarHBondContact CA-O 3.17Å; P239-P277 HydrophobicContact CB-CB 4.14Å; P239-P277 HydrophobicContact CB-CG 4.48Å; P239-P277 HydrophobicContact CG-CG 4.37Å; P239-L371 HydrophobicContact CB-CD2 3.58Å; P239-L371 HydrophobicContact CG-CD2 4Å
240L98.9Very high98.1Very high0 Ų020.1 Ų20.10%011%0.108CC..EExtended strand (participates in β ladder)trans-109.3127.8-180-72165000111.2G205 V207 V230 C233 Y271 A274 V276 P277 K278 L279G205-L240 CarbonylContact O-C 3.59Å; G205-L240 WeakPolarHBondContact O-CA 3.37Å; V207-L240 HydrophobicContact CG2-CD2 4.45Å; V230-L240 HydrophobicContact CB-CD1 4.36Å; V230-L240 HydrophobicContact CG1-CD1 3.76Å; V230-L240 HydrophobicContact CG2-CD1 4.33Å; V230-L240 HydrophobicContact CG2-CD2 4.37Å; C233-L240 HydrophobicContact CB-CD2 3.69Å; C233-L240 HydrophobicContact CB-CG 4.15Å; L240-Y271 HydrophobicContact CD1-CE1 4.27Å; L240-A274 HydrophobicContact CD1-CB 4.48Å; L240-V276 HydrophobicContact CD1-CG2 3.93Å; L240-V276 HydrophobicContact CG-CG2 4.18Å; L240-P277 PolarHBondContact N-O 3.22Å; L240-K278 HydrophobicContact CB-CG 4.3Å; L240-K278 HydrophobicContact CD1-CG 4.38Å; L240-K278 WeakPolarHBondContact O-CA 3.23Å; L240-L279 PolarHBondContact O-N 3.23Å
241I98.8Very high97.8Very high0 Ų025.3 Ų25.30%014%0.142CC..EExtended strand (participates in β ladder)trans-107.9122168.4-48.3-56.3000108L199 V204 G205 I206 V207 L243 L279 L367 L371L199-I241 HydrophobicContact CD1-CD1 4.43Å; L199-I241 HydrophobicContact CD1-CG1 4.21Å; V204-I241 HydrophobicContact CB-CG1 4.03Å; V204-I241 HydrophobicContact CG1-CG1 4.3Å; V204-I241 HydrophobicContact CG2-CG1 4.25Å; G205-I241 PolarHBondContact O-N 2.95Å; I206-I241 WeakPolarHBondContact CA-O 3.24Å; I206-I241 HydrophobicContact CG1-CB 4.34Å; V207-I241 PolarHBondContact N-O 3.26Å; I241-L243 HydrophobicContact CG2-CD2 4.14Å; I241-L279 CarbonylContact C-O 3.58Å; I241-L279 WeakPolarHBondContact CA-O 3.37Å; I241-L279 HydrophobicContact CD1-CB 3.78Å; I241-L279 HydrophobicContact CD1-CD1 3.65Å; I241-L279 HydrophobicContact CD1-CG 4.11Å; I241-L367 HydrophobicContact CD1-CD2 4.15Å; I241-L367 HydrophobicContact CG2-CD1 3.98Å; I241-L367 HydrophobicContact CG2-CD2 4.27Å; I241-L371 HydrophobicContact CD1-CD2 4.32Å
242T98.9Very high97.5Very high0 Ų022.8 Ų22.80%014%0.144CC..EExtended strand (participates in β ladder)trans-113.3117.5-179.6-52.80000110.5V207 V244 Y271 L279 T280 I281 M294 S295V207-T242 CarbonylContact O-C 3.6Å; V207-T242 VanDerWaalsContact O-CA 3.24Å; V207-T242 WeakPolarHBondContact O-CA 3.43Å; T242-V244 HydrophobicContact CG2-CG2 3.89Å; T242-Y271 WeakPolarHBondContact CG2-OH 3.48Å; T242-Y271 PolarHBondContact OG1-OH 3.34Å; T242-L279 PolarHBondContact N-O 3.12Å; T242-T280 CarbonylContact O-C 3.59Å; T242-T280 WeakPolarHBondContact O-CA 3.35Å; T242-I281 PolarHBondContact O-N 3.16Å; T242-M294 HydrophobicContact CG2-CB 4.37Å; T242-M294 HydrophobicContact CG2-CE 3.65Å; T242-S295 WeakPolarHBondContact OG1-CB 3.48Å
243L98.9Very high97.4Very high0 Ų027.6 Ų27.60%017%0.169CC..EExtended strand (participates in β ladder)trans-105.2117.6177.7-53.2178000109.8M168 I171 I172 I175 V207 A208 N209 I241 I281 I283M168-L243 HydrophobicContact SD-CB 3.93Å; M168-L243 HydrophobicContact SD-CD1 4.06Å; I171-L243 HydrophobicContact CG2-CD1 4.2Å; I172-L243 HydrophobicContact CG1-CD1 3.66Å; I175-L243 HydrophobicContact CD1-CD1 4.02Å; I175-L243 HydrophobicContact CD1-CD2 4.35Å; V207-L243 PolarHBondContact O-N 3.41Å; A208-L243 VanDerWaalsContact CA-O 3.3Å; A208-L243 WeakPolarHBondContact CA-O 3.21Å; A208-L243 HydrophobicContact CB-CB 3.8Å; A208-L243 HydrophobicContact CB-CD1 4.31Å; A208-L243 HydrophobicContact CB-CG 4.37Å; N209-L243 PolarHBondContact N-O 3.23Å; I241-L243 HydrophobicContact CG2-CD2 4.14Å; L243-I281 HydrophobicContact CD2-CB 4.04Å; L243-I281 HydrophobicContact CD2-CD1 4.26Å; L243-I281 HydrophobicContact CD2-CG1 4.33Å; L243-I283 HydrophobicContact CB-CG1 4.4Å
244V98.8Very high97.3Very high1 Ų134 Ų341%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-109.9118-164.2-171.30000111.6T242 V246 T280 I281 V282 I283 R284 S286 M294T242-V244 HydrophobicContact CG2-CG2 3.89Å; V244-V246 HydrophobicContact CG1-CG1 3.73Å; V244-T280 HydrophobicContact CG2-CG2 3.68Å; V244-I281 PolarHBondContact N-O 3.18Å; V244-V282 HydrophobicContact CB-CG2 4.37Å; V244-I283 PolarHBondContact O-N 3.44Å; V244-R284 PolarHBondContact O-N 3.28Å; V244-S286 WeakPolarHBondContact CG1-OG 3.36Å; V244-M294 HydrophobicContact CG1-CB 3.97Å; V244-M294 HydrophobicContact CG1-CG 4.34Å; V244-M294 HydrophobicContact CG2-CB 3.81Å
245D98.1Very high97.3Very high0 Ų034.1 Ų34.10%020%0.203CC..EExtended strand (participates in β ladder)trans-145.779.7163.9-172.37.4000108.4Y166 M168 N209 P211 R284 K285Y166-D245 WeakPolarHBondContact CE1-OD2 3.37Å; Y166-D245 VanDerWaalsContact CZ-OD2 3.3Å; Y166-D245 VanDerWaalsContact OH-CB 3.3Å; Y166-D245 WeakPolarHBondContact OH-CB 3.42Å; Y166-D245 PolarHBondContact OH-OD2 3.02Å; M168-D245 HydrophobicContact CE-CB 3.96Å; N209-D245 WeakPolarHBondContact CB-O 3.28Å; N209-D245 PolarHBondContact OD1-N 2.99Å; P211-D245 HydrophobicContact CG-CB 4.04Å; P211-D245 WeakPolarHBondContact CG-OD2 3.22Å; D245-R284 IonicContact OD1-NE 2.83Å; D245-R284 PolarHBondContact OD1-NE 3.34Å; D245-R284 IonicContact OD1-NH2 3.79Å; D245-R284 IonicContact OD2-CZ 3.82Å; D245-R284 IonicContact OD2-NE 3.77Å; D245-R284 PolarHBondContact OD2-NE 3.3Å; D245-R284 IonicContact OD2-NH2 3.09Å; D245-R284 PolarHBondContact OD2-NH2 3.18Å; D245-K285 CarbonylContact C-O 3.59Å; D245-K285 VanDerWaalsContact CA-O 3.28Å; D245-K285 WeakPolarHBondContact CA-O 3.38Å; D245-K285 VanDerWaalsContact OD1-CB 3.26Å; D245-K285 WeakPolarHBondContact OD1-CB 3.43Å; D245-K285 WeakPolarHBondContact OD1-CG 3.26Å; D245-K285 PolarHBondContact OD1-N 3.4Å
246V97.6Very high97.2Very high0 Ų037.5 Ų37.50%021%0.213CC..EExtended strand (participates in β ladder)trans-126.5119.6-171.767.80000111.4L218 V244 G248 K285 Y287 A290 M294L218-V246 HydrophobicContact CD1-CG2 4.43Å; L218-V246 HydrophobicContact CG-CG2 4.06Å; V244-V246 HydrophobicContact CG1-CG1 3.73Å; V246-G248 VanDerWaalsContact C-N 3.34Å; V246-K285 PolarHBondContact N-O 3.25Å; V246-K285 CarbonylContact O-C 3.28Å; V246-Y287 PolarHBondContact O-N 3.37Å; V246-A290 HydrophobicContact CB-CB 4.21Å; V246-A290 HydrophobicContact CG1-CB 3.67Å; V246-A290 HydrophobicContact CG2-CB 3.47Å; V246-A290 VanDerWaalsContact CG2-CB 3.47Å; V246-M294 HydrophobicContact CG1-CG 3.97Å
247P95.3Very high97.2Very high40 Ų4047 Ų4726%0.2625%0.25SS..  trans-83.5-11.4178.434.1-37.2000113.2A215 C217 K285 Y287A215-P247 HydrophobicContact CB-CG 4.4Å; A215-P247 WeakPolarHBondContact O-CD 3.44Å; A215-P247 WeakPolarHBondContact O-CG 3.27Å; C217-P247 VanDerWaalsContact SG-CG 3.52Å; P247-K285 HydrophobicContact CB-CD 4.29Å; P247-Y287 HydrophobicContact CB-CD2 4.29Å
248G95.8Very high97.2Very high14 Ų1445.7 Ų45.714%0.14425%0.252CS..  trans147.8-166-176.800000112.8C217 L218 V246C217-G248 WeakPolarHBondContact CA-O 3.46Å; L218-G248 PolarHBondContact N-O 2.88Å; V246-G248 VanDerWaalsContact C-N 3.34Å
249F96.4Very high97.2Very high65 Ų6547 Ų4729%0.28527%0.265SS..BIsolated β-bridgetrans-84.5148.9166-76-91.2000110.4L218 P251 I260 A290 V293L218-F249 HydrophobicContact CB-CD1 3.63Å; L218-F249 HydrophobicContact CB-CE1 3.64Å; L218-F249 HydrophobicContact CB-CG 4.25Å; L218-F249 HydrophobicContact CB-CZ 4.25Å; L218-F249 HydrophobicContact CD1-CE1 4.17Å; L218-F249 HydrophobicContact CD1-CE2 4.45Å; L218-F249 HydrophobicContact CD1-CZ 3.99Å; L218-F249 CarbonylContact O-C 3.57Å; L218-F249 WeakPolarHBondContact O-CA 3.29Å; L218-F249 WeakPolarHBondContact O-CD1 3.43Å; F249-P251 WeakPolarHBondContact O-CD 3.26Å; F249-I260 HydrophobicContact CD1-CD1 3.94Å; F249-I260 HydrophobicContact CD1-CG1 4.17Å; F249-I260 HydrophobicContact CE1-CD1 4.31Å; F249-A290 HydrophobicContact CD2-CB 4.5Å; F249-A290 HydrophobicContact CE2-CB 4.48Å; F249-V293 HydrophobicContact CE2-CG2 3.84Å; F249-V293 HydrophobicContact CZ-CG2 3.71Å
250L95.2Very high97.1Very high58 Ų5846.7 Ų46.730%0.30426%0.262SS..PPolyproline II helixtrans-64.7119.6175.1-175.468.8000109.4C217 L218 D219 Q255C217-L250 HydrophobicContact CB-CB 4.17Å; L218-L250 PolarHBondContact O-N 2.6Å; D219-L250 HydrophobicContact CB-CB 4.03Å; D219-L250 HydrophobicContact CB-CD2 4.12Å; L250-Q255 HydrophobicContact CB-CG 4.39Å; L250-Q255 HydrophobicContact CD2-CG 4.28Å; L250-Q255 HydrophobicContact CG-CG 4.38Å; L250-Q255 WeakPolarHBondContact O-CG 3.1Å
251P92.3Very high97.1Very high109 Ų10953.2 Ų53.271%0.70830%0.296SS*.PPolyproline II helixtrans-75.2157176.131-35.3000111.3F249F249-P251 WeakPolarHBondContact O-CD 3.26Å
252G93.7Very high97.1Very high37 Ų3761.1 Ų61.138%0.38133%0.326SS..SBendtrans140.4151.9165.800000114.1N254 Q255 E256G252-N254 PolarHBondContact O-N 2.82Å; G252-N254 VanDerWaalsContact O-N 3.17Å; G252-Q255 WeakPolarHBondContact O-CB 3.43Å; G252-Q255 PolarHBondContact O-N 3.36Å; G252-E256 PolarHBondContact O-N 3.5Å; G252-E256 VanDerWaalsContact O-N 3.12Å
253I96.8Very high97Very high115 Ų11563 Ų6359%0.5933%0.334SS*.Hα-helixtrans-53.5-35.9179.337.2171000113.2Q255 E256 Y257I253-Q255 VanDerWaalsContact C-N 3.31Å; I253-Q255 PolarHBondContact O-N 3.05Å; I253-E256 PolarHBondContact O-N 2.97Å; I253-Y257 HydrophobicContact CB-CE2 4.46Å; I253-Y257 VanDerWaalsContact O-CB 3.29Å; I253-Y257 WeakPolarHBondContact O-CB 3.46Å; I253-Y257 VanDerWaalsContact O-CG 3.29Å; I253-Y257 PolarHBondContact O-N 2.81Å
254N96.6Very high97Very high133 Ų13363.1 Ų63.171%0.71134%0.335SS*.Hα-helixtrans-65.8-33.4177.3-67.6-14.8000112.7G252 G258G252-N254 PolarHBondContact O-N 2.82Å; G252-N254 VanDerWaalsContact O-N 3.17Å; N254-G258 WeakPolarHBondContact O-CA 3.42Å; N254-G258 PolarHBondContact O-N 2.84Å
255Q97.9Very high97Very high28 Ų2864.5 Ų64.513%0.13135%0.347CS..Hα-helixtrans-73.2-43.9175.5-65-67.1-44.900110.3L250 G252 I253 G258 G259 I260L250-Q255 HydrophobicContact CB-CG 4.39Å; L250-Q255 HydrophobicContact CD2-CG 4.28Å; L250-Q255 HydrophobicContact CG-CG 4.38Å; L250-Q255 WeakPolarHBondContact O-CG 3.1Å; G252-Q255 WeakPolarHBondContact O-CB 3.43Å; G252-Q255 PolarHBondContact O-N 3.36Å; I253-Q255 VanDerWaalsContact C-N 3.31Å; I253-Q255 PolarHBondContact O-N 3.05Å; Q255-G258 CarbonylContact O-C 3.47Å; Q255-G258 PolarHBondContact O-N 3.36Å; Q255-G259 PolarHBondContact O-N 3.05Å; Q255-I260 HydrophobicContact CB-CB 4.1Å; Q255-I260 HydrophobicContact CB-CG2 4.18Å; Q255-I260 VanDerWaalsContact O-CB 3.28Å; Q255-I260 WeakPolarHBondContact O-CB 3.23Å; Q255-I260 VanDerWaalsContact O-CG2 3.32Å; Q255-I260 WeakPolarHBondContact O-CG2 3.26Å; Q255-I260 PolarHBondContact O-N 3.33Å
256E98Very high97Very high106 Ų10665.5 Ų65.550%0.49535%0.351SS..Hα-helixtrans-64.4-49.4178.8-63.4-59.7164.200112G252 I253 G258 G259G252-E256 PolarHBondContact O-N 3.5Å; G252-E256 VanDerWaalsContact O-N 3.12Å; I253-E256 PolarHBondContact O-N 2.97Å; E256-G258 VanDerWaalsContact C-N 3.29Å; E256-G258 PolarHBondContact O-N 2.76Å; E256-G259 PolarHBondContact O-N 3.4Å
257Y98Very high97Very high199 Ų19965.5 Ų65.578%0.7835%0.351SS*.Hα-helixtrans-68.1-31177.5-66.4-4.5000112.3I253 G259I253-Y257 HydrophobicContact CB-CE2 4.46Å; I253-Y257 VanDerWaalsContact O-CB 3.29Å; I253-Y257 WeakPolarHBondContact O-CB 3.46Å; I253-Y257 VanDerWaalsContact O-CG 3.29Å; I253-Y257 PolarHBondContact O-N 2.81Å; Y257-G259 PolarHBondContact O-N 3.1Å
258G97.9Very high97.2Very high34 Ų3466.7 Ų66.735%0.35136%0.355SS..THydrogen-bonded Turntrans-71.3-4.7171.300000113.8I220 N254 Q255 E256 H263I220-G258 WeakPolarHBondContact CD1-O 3.39Å; N254-G258 WeakPolarHBondContact O-CA 3.42Å; N254-G258 PolarHBondContact O-N 2.84Å; Q255-G258 CarbonylContact O-C 3.47Å; Q255-G258 PolarHBondContact O-N 3.36Å; E256-G258 VanDerWaalsContact C-N 3.29Å; E256-G258 PolarHBondContact O-N 2.76Å; G258-H263 PolarHBondContact O-CD2 2.89Å; G258-H263 PolarHBondContact O-NE2 3.04Å
259G98Very high97.3Very high28 Ų2868.5 Ų68.529%0.28936%0.359SS..THydrogen-bonded Turntrans80.436.7176.200000114.2Q255 E256 Y257 I261 R262 H263Q255-G259 PolarHBondContact O-N 3.05Å; E256-G259 PolarHBondContact O-N 3.4Å; Y257-G259 PolarHBondContact O-N 3.1Å; G259-I261 PolarHBondContact O-N 3.08Å; G259-R262 PolarHBondContact O-N 2.9Å; G259-H263 PolarHBondContact O-CD2 3.48Å; G259-H263 VanDerWaalsContact O-CD2 3.32Å; G259-H263 PolarHBondContact O-N 3.4Å; G259-H263 VanDerWaalsContact O-N 3.08Å
260I98Very high97.4Very high14 Ų1465.5 Ų65.57%0.07235%0.346CS..Hα-helixtrans-50.7-31.4177.6-174.261.4000113.3I220 F249 Q255 R262 H263 G264I220-I260 HydrophobicContact CB-CD1 4.45Å; I220-I260 HydrophobicContact CD1-CB 4.47Å; I220-I260 HydrophobicContact CG1-CB 4.01Å; I220-I260 HydrophobicContact CG1-CD1 3.75Å; I220-I260 HydrophobicContact CG1-CG1 4.47Å; F249-I260 HydrophobicContact CD1-CD1 3.94Å; F249-I260 HydrophobicContact CD1-CG1 4.17Å; F249-I260 HydrophobicContact CE1-CD1 4.31Å; Q255-I260 HydrophobicContact CB-CB 4.1Å; Q255-I260 HydrophobicContact CB-CG2 4.18Å; Q255-I260 VanDerWaalsContact O-CB 3.28Å; Q255-I260 WeakPolarHBondContact O-CB 3.23Å; Q255-I260 VanDerWaalsContact O-CG2 3.32Å; Q255-I260 WeakPolarHBondContact O-CG2 3.26Å; Q255-I260 PolarHBondContact O-N 3.33Å; I260-R262 VanDerWaalsContact C-N 3.35Å; I260-R262 PolarHBondContact O-N 3.01Å; I260-H263 PolarHBondContact O-N 3.41Å; I260-G264 WeakPolarHBondContact O-CA 3.46Å; I260-G264 PolarHBondContact O-N 2.91Å
261I98.2Very high97.6Very high137 Ų13762.7 Ų62.770%0.70333%0.331SS*.Hα-helixtrans-56.6-47.2175.1-62.4174.5000111.3G259 A265G259-I261 PolarHBondContact O-N 3.08Å; I261-A265 VanDerWaalsContact O-CB 3.27Å; I261-A265 WeakPolarHBondContact O-CB 3.47Å; I261-A265 PolarHBondContact O-N 3.23Å
262R97.9Very high97.9Very high166 Ų16659.1 Ų59.163%0.62631%0.311SS*.Hα-helixtrans-72.2-46176-100.9-161.7-170.1151.38.6111.7G259 I260 A265 K266 P390G259-R262 PolarHBondContact O-N 2.9Å; I260-R262 VanDerWaalsContact C-N 3.35Å; I260-R262 PolarHBondContact O-N 3.01Å; R262-A265 PolarHBondContact O-N 3.42Å; R262-K266 PolarHBondContact O-N 3.19Å; R262-P390 HydrophobicContact CB-CB 4.3Å; R262-P390 HydrophobicContact CG-CB 4Å
263H98.4Very high98.1Very high38 Ų3858.8 Ų58.818%0.17630%0.299CS..Hα-helixtrans-70.9-41.7-172-67.1-52.2000112.6I220 S223 I224 G258 G259 I260 A265 K266I220-H263 HydrophobicContact CB-CB 4.23Å; I220-H263 HydrophobicContact CG1-CB 4.06Å; I220-H263 HydrophobicContact CG2-CB 3.88Å; S223-H263 WeakPolarHBondContact CB-O 3.49Å; I224-H263 HydrophobicContact CD1-CB 4.49Å; I224-H263 HydrophobicContact CG1-CB 4.38Å; G258-H263 PolarHBondContact O-CD2 2.89Å; G258-H263 PolarHBondContact O-NE2 3.04Å; G259-H263 PolarHBondContact O-CD2 3.48Å; G259-H263 VanDerWaalsContact O-CD2 3.32Å; G259-H263 PolarHBondContact O-N 3.4Å; G259-H263 VanDerWaalsContact O-N 3.08Å; I260-H263 PolarHBondContact O-N 3.41Å; H263-A265 VanDerWaalsContact C-N 3.31Å; H263-A265 PolarHBondContact O-N 2.77Å; H263-K266 WeakPolarHBondContact ND1-CE 3.45Å; H263-K266 PolarHBondContact ND1-NZ 3.14Å; H263-K266 VanDerWaalsContact O-CB 3.28Å; H263-K266 WeakPolarHBondContact O-CB 3.32Å; H263-K266 PolarHBondContact O-N 3.27Å; H263-K266 VanDerWaalsContact O-N 3.15Å
264G97.7Very high98.2Very high3 Ų353.3 Ų53.33%0.03127%0.271CS..Hα-helixtrans-60-4017100000112.5I260 K266 L267I260-G264 WeakPolarHBondContact O-CA 3.46Å; I260-G264 PolarHBondContact O-N 2.91Å; G264-K266 PolarHBondContact O-N 3.07Å; G264-L267 PolarHBondContact O-N 2.86Å
265A98.4Very high98.3Very high30 Ų3048.7 Ų48.725%0.24825%0.248CC..Hα-helixtrans-64.1-21176.500000113.8I261 R262 H263 L267 I268 F269 P390I261-A265 VanDerWaalsContact O-CB 3.27Å; I261-A265 WeakPolarHBondContact O-CB 3.47Å; I261-A265 PolarHBondContact O-N 3.23Å; R262-A265 PolarHBondContact O-N 3.42Å; H263-A265 VanDerWaalsContact C-N 3.31Å; H263-A265 PolarHBondContact O-N 2.77Å; A265-L267 VanDerWaalsContact C-N 3.32Å; A265-L267 PolarHBondContact O-N 3.12Å; A265-I268 PolarHBondContact O-N 3.36Å; A265-F269 VanDerWaalsContact O-CB 3.28Å; A265-F269 WeakPolarHBondContact O-CB 3.35Å; A265-F269 PolarHBondContact O-N 2.95Å; A265-P390 HydrophobicContact CB-CG 4.23Å
266K98.8Very high98.3Very high22 Ų2247.8 Ų47.810%0.09624%0.244CC..Hα-helixtrans-61.2-40.8175.2-62.4179.2178.3-174.60111.8I224 A227 R262 H263 G264 F269 A270 M389 P390 L391I224-K266 HydrophobicContact CG1-CD 4.08Å; A227-K266 VanDerWaalsContact CB-C 3.48Å; A227-K266 HydrophobicContact CB-CB 3.66Å; A227-K266 WeakPolarHBondContact CB-O 3.28Å; R262-K266 PolarHBondContact O-N 3.19Å; H263-K266 WeakPolarHBondContact ND1-CE 3.45Å; H263-K266 PolarHBondContact ND1-NZ 3.14Å; H263-K266 VanDerWaalsContact O-CB 3.28Å; H263-K266 WeakPolarHBondContact O-CB 3.32Å; H263-K266 PolarHBondContact O-N 3.27Å; H263-K266 VanDerWaalsContact O-N 3.15Å; G264-K266 PolarHBondContact O-N 3.07Å; K266-F269 PolarHBondContact O-N 3.21Å; K266-A270 WeakPolarHBondContact O-CB 3.28Å; K266-A270 PolarHBondContact O-N 2.97Å; K266-M389 HydrophobicContact CB-CE 4.37Å; K266-M389 HydrophobicContact CG-CE 4.28Å; K266-P390 WeakPolarHBondContact CE-O 3.34Å; K266-P390 HydrophobicContact CG-CB 4.33Å; K266-L391 WeakPolarHBondContact CE-OXT 3.45Å; K266-L391 PolarHBondContact NZ-OXT 2.74Å
267L98.6Very high98.4Very high0 Ų043.5 Ų43.50%023%0.226CC..Hα-helixtrans-71.9-39.1-179.8-174.957000111.3I192 L218 A227 V230 G264 A265 F269 A270 Y271 V293 M294I192-L267 HydrophobicContact CD1-CD2 4.38Å; L218-L267 HydrophobicContact CD1-CD2 4.35Å; L218-L267 HydrophobicContact CD2-CD2 4.08Å; A227-L267 HydrophobicContact CB-CB 4.4Å; V230-L267 HydrophobicContact CG2-CD1 4.27Å; G264-L267 PolarHBondContact O-N 2.86Å; A265-L267 VanDerWaalsContact C-N 3.32Å; A265-L267 PolarHBondContact O-N 3.12Å; L267-F269 VanDerWaalsContact C-N 3.31Å; L267-F269 PolarHBondContact O-N 2.64Å; L267-A270 PolarHBondContact O-N 3.43Å; L267-Y271 HydrophobicContact CD1-CD2 3.87Å; L267-Y271 HydrophobicContact CD1-CE2 3.6Å; L267-Y271 HydrophobicContact CG-CD2 4.08Å; L267-Y271 HydrophobicContact CG-CE2 3.99Å; L267-Y271 WeakPolarHBondContact O-CD2 3.47Å; L267-Y271 PolarHBondContact O-N 3.04Å; L267-Y271 VanDerWaalsContact O-N 3.1Å; L267-V293 HydrophobicContact CB-CG1 3.83Å; L267-V293 HydrophobicContact CD2-CG1 3.63Å; L267-V293 HydrophobicContact CG-CG1 3.57Å; L267-M294 HydrophobicContact CD2-SD 4.12Å
268I98.3Very high98.4Very high65 Ų6534 Ų3433%0.33319%0.189SC..Hα-helixtrans-56.7-50171-56.8176.2000109.7A265 A270 Y271 A272 V293 L299A265-I268 PolarHBondContact O-N 3.36Å; I268-A270 VanDerWaalsContact C-N 3.33Å; I268-A270 PolarHBondContact O-N 2.76Å; I268-Y271 PolarHBondContact O-N 3.4Å; I268-A272 VanDerWaalsContact O-CB 3.26Å; I268-A272 WeakPolarHBondContact O-CB 3.18Å; I268-A272 PolarHBondContact O-N 3.47Å; I268-V293 HydrophobicContact CD1-CG2 3.7Å; I268-V293 HydrophobicContact CG1-CB 4.04Å; I268-V293 HydrophobicContact CG1-CG1 3.95Å; I268-V293 HydrophobicContact CG1-CG2 3.36Å; I268-L299 HydrophobicContact CG2-CD1 4.26Å; I268-L299 HydrophobicContact CG2-CD2 4.43Å
269F98.7Very high98.4Very high52 Ų5232.5 Ų32.523%0.22817%0.172CC..Hα-helixtrans-58.9-46.8-179.2-170.7-80.7000111.1A265 K266 L267 Y271 A272 E273 M389A265-F269 VanDerWaalsContact O-CB 3.28Å; A265-F269 WeakPolarHBondContact O-CB 3.35Å; A265-F269 PolarHBondContact O-N 2.95Å; K266-F269 PolarHBondContact O-N 3.21Å; L267-F269 VanDerWaalsContact C-N 3.31Å; L267-F269 PolarHBondContact O-N 2.64Å; F269-Y271 PolarHBondContact O-N 2.88Å; F269-A272 PolarHBondContact O-N 2.74Å; F269-E273 HydrophobicContact CD1-CB 4.35Å; F269-E273 HydrophobicContact CE1-CB 3.99Å; F269-E273 VanDerWaalsContact CE1-CD 3.49Å; F269-E273 HydrophobicContact CE1-CG 4.28Å; F269-E273 WeakPolarHBondContact CE1-OE1 3.41Å; F269-E273 VanDerWaalsContact O-CB 3.23Å; F269-E273 WeakPolarHBondContact O-CB 3.3Å; F269-E273 PolarHBondContact O-N 2.77Å; F269-M389 HydrophobicContact CD1-CB 3.59Å; F269-M389 HydrophobicContact CD2-CB 4.08Å; F269-M389 HydrophobicContact CE1-CB 3.7Å; F269-M389 HydrophobicContact CE2-CB 4.18Å; F269-M389 HydrophobicContact CG-CB 3.83Å; F269-M389 HydrophobicContact CZ-CB 4.04Å
270A98.8Very high98.5Very high1 Ų131.3 Ų31.31%0.00816%0.159CC..Hα-helixtrans-59.2-48.9-179.500000112A227 V230 R231 K266 L267 I268 A274A227-A270 HydrophobicContact CB-CB 4.16Å; A227-A270 WeakPolarHBondContact O-CB 3.39Å; V230-A270 HydrophobicContact CB-CB 3.85Å; V230-A270 HydrophobicContact CG1-CB 3.61Å; R231-A270 HydrophobicContact CG-CB 3.71Å; K266-A270 WeakPolarHBondContact O-CB 3.28Å; K266-A270 PolarHBondContact O-N 2.97Å; L267-A270 PolarHBondContact O-N 3.43Å; I268-A270 VanDerWaalsContact C-N 3.33Å; I268-A270 PolarHBondContact O-N 2.76Å; A270-A274 VanDerWaalsContact O-CB 3.32Å; A270-A274 WeakPolarHBondContact O-CB 3.06Å; A270-A274 PolarHBondContact O-N 3.31Å
271Y98.8Very high98.5Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-68.2-38.3177.9-81-60.6000113.3V207 V230 L240 T242 L267 I268 F269 A274 K278 V293V207-Y271 VanDerWaalsContact CB-OH 3.23Å; V207-Y271 WeakPolarHBondContact CB-OH 3.45Å; V207-Y271 WeakPolarHBondContact CG1-OH 3.46Å; V230-Y271 HydrophobicContact CG1-CD1 4.02Å; V230-Y271 HydrophobicContact CG1-CE1 4.27Å; V230-Y271 HydrophobicContact CG1-CG 4.37Å; V230-Y271 HydrophobicContact CG2-CD1 4.25Å; V230-Y271 HydrophobicContact CG2-CE1 3.74Å; V230-Y271 HydrophobicContact CG2-CE2 4.14Å; L240-Y271 HydrophobicContact CD1-CE1 4.27Å; T242-Y271 WeakPolarHBondContact CG2-OH 3.48Å; T242-Y271 PolarHBondContact OG1-OH 3.34Å; L267-Y271 HydrophobicContact CD1-CD2 3.87Å; L267-Y271 HydrophobicContact CD1-CE2 3.6Å; L267-Y271 HydrophobicContact CG-CD2 4.08Å; L267-Y271 HydrophobicContact CG-CE2 3.99Å; L267-Y271 WeakPolarHBondContact O-CD2 3.47Å; L267-Y271 PolarHBondContact O-N 3.04Å; L267-Y271 VanDerWaalsContact O-N 3.1Å; I268-Y271 PolarHBondContact O-N 3.4Å; F269-Y271 PolarHBondContact O-N 2.88Å; Y271-A274 PolarHBondContact O-N 3.34Å; Y271-K278 HydrophobicContact CD1-CD 4.26Å; Y271-K278 PolarHBondContact O-NZ 2.86Å; Y271-V293 WeakPolarHBondContact CD2-O 3.39Å
272A98.5Very high98.5Very high34 Ų3424.2 Ų24.228%0.28112%0.123SC..Hα-helixtrans-69.5-35.5179.500000112.6I268 F269 L299I268-A272 VanDerWaalsContact O-CB 3.26Å; I268-A272 WeakPolarHBondContact O-CB 3.18Å; I268-A272 PolarHBondContact O-N 3.47Å; F269-A272 PolarHBondContact O-N 2.74Å; A272-L299 HydrophobicContact CB-CD2 4.18Å
273E98.5Very high98.6Very high30 Ų3016.3 Ų16.314%0.149%0.093CC..Hα-helixtrans-70.7-38.3174.9-176.9172.8-109.200111.1R231 F269 T275 N381 S387R231-E273 IonicContact CZ-OE2 3.55Å; R231-E273 IonicContact NE-OE2 2.86Å; R231-E273 PolarHBondContact NE-OE2 3Å; R231-E273 IonicContact NH2-OE2 3.75Å; R231-E273 PolarHBondContact NH2-OE2 3.44Å; F269-E273 HydrophobicContact CD1-CB 4.35Å; F269-E273 HydrophobicContact CE1-CB 3.99Å; F269-E273 VanDerWaalsContact CE1-CD 3.49Å; F269-E273 HydrophobicContact CE1-CG 4.28Å; F269-E273 WeakPolarHBondContact CE1-OE1 3.41Å; F269-E273 VanDerWaalsContact O-CB 3.23Å; F269-E273 WeakPolarHBondContact O-CB 3.3Å; F269-E273 PolarHBondContact O-N 2.77Å; E273-T275 PolarHBondContact O-N 3.28Å; E273-N381 PolarHBondContact O-ND2 2.86Å; E273-S387 WeakPolarHBondContact OE1-CB 3.31Å; E273-S387 PolarHBondContact OE1-OG 3.02Å
274A98.7Very high98.5Very high0 Ų015 Ų150%09%0.087CC..  trans-59.9134.3-172.800000114.2V230 D234 L240 A270 Y271 V276 K278V230-A274 HydrophobicContact CG1-CB 4.36Å; D234-A274 HydrophobicContact CB-CB 3.94Å; D234-A274 VanDerWaalsContact CG-CA 3.47Å; D234-A274 WeakPolarHBondContact OD1-CA 3.4Å; L240-A274 HydrophobicContact CD1-CB 4.48Å; A270-A274 VanDerWaalsContact O-CB 3.32Å; A270-A274 WeakPolarHBondContact O-CB 3.06Å; A270-A274 PolarHBondContact O-N 3.31Å; Y271-A274 PolarHBondContact O-N 3.34Å; A274-V276 HydrophobicContact CB-CG2 4.45Å; A274-K278 HydrophobicContact CB-CD 4.15Å; A274-K278 PolarHBondContact O-NZ 2.96Å
275T98.6Very high98.4Very high36 Ų3616.6 Ų16.622%0.2219%0.093CC..  trans-113.2-15.1-177.559.60000113.9D234 E273 K377 L379 N381D234-T275 PolarHBondContact OD1-N 2.93Å; D234-T275 PolarHBondContact OD1-OG1 2.9Å; E273-T275 PolarHBondContact O-N 3.28Å; T275-K377 WeakPolarHBondContact O-CE 3.14Å; T275-K377 PolarHBondContact O-NZ 3.08Å; T275-L379 HydrophobicContact CG2-CB 4.35Å; T275-L379 HydrophobicContact CG2-CD2 4.24Å; T275-L379 HydrophobicContact CG2-CG 4.25Å; T275-N381 WeakPolarHBondContact CG2-ND2 3.42Å
276V98.6Very high98.3Very high8 Ų815.2 Ų15.25%0.0488%0.082CC..SBendtrans-55.8161.8169.6-69.70000112.5D234 L240 A274 K278 K377D234-V276 HydrophobicContact CB-CG2 4.26Å; D234-V276 PolarHBondContact OD1-N 2.81Å; L240-V276 HydrophobicContact CD1-CG2 3.93Å; L240-V276 HydrophobicContact CG-CG2 4.18Å; A274-V276 HydrophobicContact CB-CG2 4.45Å; V276-K278 PolarHBondContact O-N 3.13Å; V276-K377 PolarHBondContact O-NZ 3.03Å
277P98.6Very high98.2Very high17 Ų1715.4 Ų15.411%0.118%0.082CC..  trans-54.6131.5169.1-25.735.9000111.3P239 L240 D302 L374 K377P239-P277 WeakPolarHBondContact CA-O 3.17Å; P239-P277 HydrophobicContact CB-CB 4.14Å; P239-P277 HydrophobicContact CB-CG 4.48Å; P239-P277 HydrophobicContact CG-CG 4.37Å; L240-P277 PolarHBondContact N-O 3.22Å; P277-D302 WeakPolarHBondContact CA-OD2 3.43Å; P277-L374 HydrophobicContact CB-CB 3.8Å; P277-L374 HydrophobicContact CB-CD1 3.94Å; P277-L374 HydrophobicContact CG-CB 3.92Å; P277-K377 HydrophobicContact CG-CB 4.38Å; P277-K377 HydrophobicContact CG-CD 4.29Å
278K98.8Very high97.9Very high0 Ų016.5 Ų16.50%09%0.093CC..EExtended strand (participates in β ladder)trans-126.8110-179.9-68.9-178.6-57.6-156.40109L240 Y271 A274 V276 L299 R300 D302 I303L240-K278 HydrophobicContact CB-CG 4.3Å; L240-K278 HydrophobicContact CD1-CG 4.38Å; L240-K278 WeakPolarHBondContact O-CA 3.23Å; Y271-K278 HydrophobicContact CD1-CD 4.26Å; Y271-K278 PolarHBondContact O-NZ 2.86Å; A274-K278 HydrophobicContact CB-CD 4.15Å; A274-K278 PolarHBondContact O-NZ 2.96Å; V276-K278 PolarHBondContact O-N 3.13Å; K278-L299 PolarHBondContact NZ-O 2.88Å; K278-R300 WeakPolarHBondContact CE-O 3.46Å; K278-R300 PolarHBondContact NZ-O 3.47Å; K278-D302 PolarHBondContact N-OD2 3.22Å; K278-D302 PolarHBondContact O-N 2.86Å; K278-I303 PolarHBondContact O-N 3.48Å
279L98.8Very high97.7Very high1 Ų115.7 Ų15.71%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-109.4132176.9-57.2174.6000108.3L240 I241 T242 I303 L367 D370 L371 L374L240-L279 PolarHBondContact O-N 3.23Å; I241-L279 CarbonylContact C-O 3.58Å; I241-L279 WeakPolarHBondContact CA-O 3.37Å; I241-L279 HydrophobicContact CD1-CB 3.78Å; I241-L279 HydrophobicContact CD1-CD1 3.65Å; I241-L279 HydrophobicContact CD1-CG 4.11Å; T242-L279 PolarHBondContact N-O 3.12Å; L279-I303 WeakPolarHBondContact CA-O 3.44Å; L279-I303 HydrophobicContact CD2-CB 3.52Å; L279-I303 HydrophobicContact CD2-CG1 3.55Å; L279-L367 HydrophobicContact CB-CD2 3.9Å; L279-L367 HydrophobicContact CD1-CD2 3.92Å; L279-D370 HydrophobicContact CD1-CB 3.85Å; L279-D370 HydrophobicContact CD2-CB 3.62Å; L279-D370 HydrophobicContact CG-CB 4.43Å; L279-L371 HydrophobicContact CD1-CD2 3.87Å; L279-L371 HydrophobicContact CD1-CG 3.77Å; L279-L374 HydrophobicContact CD2-CD1 3.62Å; L279-L374 HydrophobicContact CG-CD1 4.39Å
280T98.9Very high97.6Very high3 Ų313.2 Ų13.22%0.0189%0.09CC..EExtended strand (participates in β ladder)trans-129137.2-177.1-59.80000110.4T242 V244 S295 I303 N304 Y305T242-T280 CarbonylContact O-C 3.59Å; T242-T280 WeakPolarHBondContact O-CA 3.35Å; V244-T280 HydrophobicContact CG2-CG2 3.68Å; T280-S295 VanDerWaalsContact OG1-CB 3.26Å; T280-S295 WeakPolarHBondContact OG1-CB 3.34Å; T280-S295 PolarHBondContact OG1-O 3.01Å; T280-S295 VanDerWaalsContact OG1-O 3.05Å; T280-S295 PolarHBondContact OG1-OG 3.46Å; T280-S295 VanDerWaalsContact OG1-OG 3.12Å; T280-I303 PolarHBondContact N-O 3.3Å; T280-N304 WeakPolarHBondContact CB-ND2 3.38Å; T280-N304 CarbonylContact O-C 3.42Å; T280-N304 WeakPolarHBondContact O-CA 3.24Å; T280-Y305 PolarHBondContact O-N 3.24Å
281I98.8Very high97.6Very high0 Ų014.5 Ų14.50%09%0.094CC..EExtended strand (participates in β ladder)trans-126.6116.4175.2-51.4-175000108.3T242 L243 V244 I283 Y305 T363 L367T242-I281 PolarHBondContact O-N 3.16Å; L243-I281 HydrophobicContact CD2-CB 4.04Å; L243-I281 HydrophobicContact CD2-CD1 4.26Å; L243-I281 HydrophobicContact CD2-CG1 4.33Å; V244-I281 PolarHBondContact N-O 3.18Å; I281-I283 HydrophobicContact CB-CD1 4.29Å; I281-I283 HydrophobicContact CG2-CD1 3.67Å; I281-I283 PolarHBondContact O-N 2.74Å; I281-Y305 WeakPolarHBondContact CA-O 3.31Å; I281-T363 HydrophobicContact CD1-CG2 3.29Å; I281-L367 HydrophobicContact CD1-CD1 3.94Å; I281-L367 HydrophobicContact CD1-CD2 3.86Å; I281-L367 HydrophobicContact CD1-CG 3.95Å; I281-L367 HydrophobicContact CG1-CD2 4.34Å
282V98.6Very high97.5Very high3 Ų317.3 Ų17.32%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-81.2110.9170.3-1730000108.7V244 Y305 A306 W307 A310 I312 I354V244-V282 HydrophobicContact CB-CG2 4.37Å; V282-Y305 PolarHBondContact N-O 3.38Å; V282-A306 HydrophobicContact CB-CB 4.32Å; V282-A306 WeakPolarHBondContact O-CA 3.38Å; V282-W307 PolarHBondContact O-N 3.24Å; V282-A310 HydrophobicContact CB-CB 4.08Å; V282-A310 HydrophobicContact CG1-CB 3.68Å; V282-I312 HydrophobicContact CG1-CG1 4.29Å; V282-I312 HydrophobicContact CG2-CD1 4.33Å; V282-I354 HydrophobicContact CG2-CD1 4.27Å
283I98.3Very high97.4Very high0 Ų015.7 Ų15.70%010%0.1CC..EExtended strand (participates in β ladder)trans-83.7-48.8-176.4-55.7-62.2000110.1V158 Y166 M168 I171 L243 V244 I281 W307 T309V158-I283 HydrophobicContact CG2-CG2 3.71Å; Y166-I283 HydrophobicContact CE2-CG2 4.37Å; Y166-I283 VanDerWaalsContact OH-CG2 3.24Å; Y166-I283 WeakPolarHBondContact OH-CG2 3.46Å; M168-I283 HydrophobicContact CE-CB 4.36Å; M168-I283 HydrophobicContact CE-CG1 4.09Å; M168-I283 HydrophobicContact CE-CG2 4.5Å; M168-I283 HydrophobicContact SD-CG1 4.41Å; I171-I283 HydrophobicContact CD1-CG2 3.88Å; L243-I283 HydrophobicContact CB-CG1 4.4Å; V244-I283 PolarHBondContact O-N 3.44Å; I281-I283 HydrophobicContact CB-CD1 4.29Å; I281-I283 HydrophobicContact CG2-CD1 3.67Å; I281-I283 PolarHBondContact O-N 2.74Å; I283-W307 HydrophobicContact CB-CE3 4.48Å; I283-W307 HydrophobicContact CD1-CD2 3.82Å; I283-W307 HydrophobicContact CD1-CE3 4.15Å; I283-W307 HydrophobicContact CD1-CG 4.43Å; I283-W307 HydrophobicContact CD1-CH2 3.98Å; I283-W307 HydrophobicContact CD1-CZ2 3.64Å; I283-W307 HydrophobicContact CD1-CZ3 4.24Å; I283-W307 HydrophobicContact CG2-CD2 4.3Å; I283-W307 HydrophobicContact CG2-CE3 3.66Å; I283-W307 HydrophobicContact CG2-CH2 4.34Å; I283-W307 HydrophobicContact CG2-CZ3 3.7Å; I283-T309 PolarHBondContact O-OG1 3.46Å
284R96.9Very high97.4Very high11 Ų1114.4 Ų14.44%0.0429%0.094CC..EExtended strand (participates in β ladder)trans-144.7-93.9-179.6-170.9-177.654.8177-4.4111.5V158 S164 V244 D245 A310 E311V158-R284 HydrophobicContact CG1-CB 4.33Å; V158-R284 HydrophobicContact CG1-CG 4.25Å; S164-R284 PolarHBondContact O-NH1 2.94Å; V244-R284 PolarHBondContact O-N 3.28Å; D245-R284 IonicContact OD1-NE 2.83Å; D245-R284 PolarHBondContact OD1-NE 3.34Å; D245-R284 IonicContact OD1-NH2 3.79Å; D245-R284 IonicContact OD2-CZ 3.82Å; D245-R284 IonicContact OD2-NE 3.77Å; D245-R284 PolarHBondContact OD2-NE 3.3Å; D245-R284 IonicContact OD2-NH2 3.09Å; D245-R284 PolarHBondContact OD2-NH2 3.18Å; R284-A310 CarbonylContact O-C 3.21Å; R284-A310 VanDerWaalsContact O-CA 3.26Å; R284-A310 WeakPolarHBondContact O-CA 3.41Å; R284-E311 PolarHBondContact O-N 3.21Å
285K95.7Very high97.4Very high35 Ų3514.4 Ų14.415%0.1529%0.094CC..EExtended strand (participates in β ladder)trans-81.9135.7-172.4-53.7176.1-156.9-167.30110.5P162 D245 V246 P247 Y287P162-K285 PolarHBondContact O-NZ 3.25Å; D245-K285 CarbonylContact C-O 3.59Å; D245-K285 VanDerWaalsContact CA-O 3.28Å; D245-K285 WeakPolarHBondContact CA-O 3.38Å; D245-K285 VanDerWaalsContact OD1-CB 3.26Å; D245-K285 WeakPolarHBondContact OD1-CB 3.43Å; D245-K285 WeakPolarHBondContact OD1-CG 3.26Å; D245-K285 PolarHBondContact OD1-N 3.4Å; V246-K285 PolarHBondContact N-O 3.25Å; V246-K285 CarbonylContact O-C 3.28Å; P247-K285 HydrophobicContact CB-CD 4.29Å; K285-Y287 HydrophobicContact CB-CD2 4.35Å; K285-Y287 HydrophobicContact CB-CE2 4.03Å; K285-Y287 HydrophobicContact CD-CE2 4.25Å; K285-Y287 HydrophobicContact CG-CE2 4.2Å
286S96.9Very high97.4Very high2 Ų212.8 Ų12.81%0.0149%0.085CC..EExtended strand (participates in β ladder)trans-145.490.7167.9-150.70000110.2V244 Y291 E311 I312 A313V244-S286 WeakPolarHBondContact CG1-OG 3.36Å; S286-Y291 WeakPolarHBondContact OG-CD2 3.43Å; S286-E311 PolarHBondContact N-O 3.24Å; S286-I312 WeakPolarHBondContact O-CA 3.36Å; S286-A313 PolarHBondContact O-N 3.07Å
287Y95.4Very high97.3Very high26 Ų2614.6 Ų14.610%0.1029%0.092CC..EExtended strand (participates in β ladder)trans-113.2141.7-171.3-56.8-38.4000114.5V246 P247 K285 A290 Y291 E311 A313V246-Y287 PolarHBondContact O-N 3.37Å; P247-Y287 HydrophobicContact CB-CD2 4.29Å; K285-Y287 HydrophobicContact CB-CD2 4.35Å; K285-Y287 HydrophobicContact CB-CE2 4.03Å; K285-Y287 HydrophobicContact CD-CE2 4.25Å; K285-Y287 HydrophobicContact CG-CE2 4.2Å; Y287-A290 PolarHBondContact O-N 3.33Å; Y287-Y291 PolarHBondContact O-N 2.63Å; Y287-Y291 VanDerWaalsContact O-N 3.12Å; Y287-E311 HydrophobicContact CE1-CB 3.92Å; Y287-E311 WeakPolarHBondContact CE1-O 3.32Å; Y287-E311 PolarHBondContact OH-OE2 3.34Å; Y287-A313 CarbonylContact C-O 3.56Å; Y287-A313 VanDerWaalsContact CA-O 3.27Å; Y287-A313 WeakPolarHBondContact CA-O 3.41Å; Y287-A313 HydrophobicContact CD1-CB 4.03Å; Y287-A313 HydrophobicContact CE1-CB 4.2Å
288G93.9Very high97.3Very high23 Ų2318.8 Ų18.824%0.23711%0.11CC..Hα-helixtrans55.1-136.2163.600000114.2A290 Y291 C292 A313 V314G288-A290 PolarHBondContact O-N 3.26Å; G288-Y291 WeakPolarHBondContact O-CB 3.05Å; G288-Y291 PolarHBondContact O-N 3.26Å; G288-C292 PolarHBondContact O-N 3.1Å; G288-A313 PolarHBondContact N-O 3.04Å; G288-V314 WeakPolarHBondContact CA-O 3.31Å; G288-V314 PolarHBondContact N-O 3.45Å
289G94.2Very high97.3Very high47 Ų4720.1 Ų20.149%0.48512%0.117SC..Hα-helixtrans-61.5-29.3179.500000113.3C292 V293G289-C292 WeakPolarHBondContact O-CB 3.2Å; G289-C292 PolarHBondContact O-N 3.19Å; G289-V293 WeakPolarHBondContact O-CG2 3.34Å; G289-V293 PolarHBondContact O-N 3.48Å; G289-V293 VanDerWaalsContact O-N 3.11Å
290A96.4Very high97.1Very high0 Ų025.3 Ų25.30%014%0.136CC..Hα-helixtrans-72.6-34.8-179.700000112.6L218 V246 F249 Y287 G288 C292 V293 M294L218-A290 HydrophobicContact CD1-CB 4.14Å; V246-A290 HydrophobicContact CB-CB 4.21Å; V246-A290 HydrophobicContact CG1-CB 3.67Å; V246-A290 HydrophobicContact CG2-CB 3.47Å; V246-A290 VanDerWaalsContact CG2-CB 3.47Å; F249-A290 HydrophobicContact CD2-CB 4.5Å; F249-A290 HydrophobicContact CE2-CB 4.48Å; Y287-A290 PolarHBondContact O-N 3.33Å; G288-A290 PolarHBondContact O-N 3.26Å; A290-C292 VanDerWaalsContact C-N 3.28Å; A290-C292 PolarHBondContact O-N 3.04Å; A290-V293 PolarHBondContact O-N 3.37Å; A290-M294 WeakPolarHBondContact O-CG 3.36Å; A290-M294 PolarHBondContact O-N 2.93Å
291Y97.3Very high97Very high28 Ų2825.5 Ų25.511%0.1114%0.139CC..Hα-helixtrans-53.6-48166.7160-97.4000110.9S286 Y287 G288 V293 M294 I312S286-Y291 WeakPolarHBondContact OG-CD2 3.43Å; Y287-Y291 PolarHBondContact O-N 2.63Å; Y287-Y291 VanDerWaalsContact O-N 3.12Å; G288-Y291 WeakPolarHBondContact O-CB 3.05Å; G288-Y291 PolarHBondContact O-N 3.26Å; Y291-V293 VanDerWaalsContact C-N 3.29Å; Y291-V293 PolarHBondContact O-N 3.45Å; Y291-M294 PolarHBondContact O-N 3.24Å; Y291-I312 HydrophobicContact CD2-CG2 3.8Å; Y291-I312 HydrophobicContact CE2-CG2 3.73Å; Y291-I312 HydrophobicContact CG-CG2 4.44Å
292C96.9Very high97Very high59 Ų5927.5 Ų27.540%0.39915%0.149SC..Hα-helixtrans-59.5-42.6179.7-59.50000111.5G288 G289 A290 S296 L299G288-C292 PolarHBondContact O-N 3.1Å; G289-C292 WeakPolarHBondContact O-CB 3.2Å; G289-C292 PolarHBondContact O-N 3.19Å; A290-C292 VanDerWaalsContact C-N 3.28Å; A290-C292 PolarHBondContact O-N 3.04Å; C292-S296 PolarHBondContact O-OG 3.33Å; C292-L299 WeakPolarHBondContact O-CD1 3.4Å; C292-L299 WeakPolarHBondContact O-CG 3.4Å
293V97.7Very high97Very high1 Ų128.7 Ų28.71%0.00616%0.155CC..Hα-helixtrans-68.9-41.3-175.4179.60000112.6L218 F249 L267 I268 Y271 G289 A290 Y291 S295L218-V293 HydrophobicContact CD1-CB 4.17Å; L218-V293 HydrophobicContact CD1-CG1 3.94Å; F249-V293 HydrophobicContact CE2-CG2 3.84Å; F249-V293 HydrophobicContact CZ-CG2 3.71Å; L267-V293 HydrophobicContact CB-CG1 3.83Å; L267-V293 HydrophobicContact CD2-CG1 3.63Å; L267-V293 HydrophobicContact CG-CG1 3.57Å; I268-V293 HydrophobicContact CD1-CG2 3.7Å; I268-V293 HydrophobicContact CG1-CB 4.04Å; I268-V293 HydrophobicContact CG1-CG1 3.95Å; I268-V293 HydrophobicContact CG1-CG2 3.36Å; Y271-V293 WeakPolarHBondContact CD2-O 3.39Å; G289-V293 WeakPolarHBondContact O-CG2 3.34Å; G289-V293 PolarHBondContact O-N 3.48Å; G289-V293 VanDerWaalsContact O-N 3.11Å; A290-V293 PolarHBondContact O-N 3.37Å; Y291-V293 VanDerWaalsContact C-N 3.29Å; Y291-V293 PolarHBondContact O-N 3.45Å; V293-S295 PolarHBondContact O-N 2.86Å
294M98.5Very high97Very high2 Ų228.9 Ų28.91%0.0116%0.156CC..THydrogen-bonded Turntrans-80.362.8-171-65.9-58-6200112.6V207 N209 L218 T242 V244 V246 L267 A290 Y291 S296V207-M294 HydrophobicContact CG1-CE 4.17Å; N209-M294 WeakPolarHBondContact OD1-CE 3.47Å; L218-M294 HydrophobicContact CD1-CG 4.3Å; L218-M294 HydrophobicContact CD1-SD 4.02Å; L218-M294 HydrophobicContact CD2-SD 4.1Å; T242-M294 HydrophobicContact CG2-CB 4.37Å; T242-M294 HydrophobicContact CG2-CE 3.65Å; V244-M294 HydrophobicContact CG1-CB 3.97Å; V244-M294 HydrophobicContact CG1-CG 4.34Å; V244-M294 HydrophobicContact CG2-CB 3.81Å; V246-M294 HydrophobicContact CG1-CG 3.97Å; L267-M294 HydrophobicContact CD2-SD 4.12Å; A290-M294 WeakPolarHBondContact O-CG 3.36Å; A290-M294 PolarHBondContact O-N 2.93Å; Y291-M294 PolarHBondContact O-N 3.24Å; M294-S296 VanDerWaalsContact C-N 3.3Å; M294-S296 PolarHBondContact O-N 3.07Å
295S98.3Very high97.1Very high0 Ų029.3 Ų29.30%016%0.158CC..THydrogen-bonded Turntrans53.541.5175.9-169.20000114.3T242 T280 V293 N304T242-S295 WeakPolarHBondContact OG1-CB 3.48Å; T280-S295 VanDerWaalsContact OG1-CB 3.26Å; T280-S295 WeakPolarHBondContact OG1-CB 3.34Å; T280-S295 PolarHBondContact OG1-O 3.01Å; T280-S295 VanDerWaalsContact OG1-O 3.05Å; T280-S295 PolarHBondContact OG1-OG 3.46Å; T280-S295 VanDerWaalsContact OG1-OG 3.12Å; V293-S295 PolarHBondContact O-N 2.86Å; S295-N304 PolarHBondContact O-ND2 2.99Å
296S97.8Very high97.2Very high3 Ų327.6 Ų27.62%0.02115%0.151CC..  trans-57.4156.3173.365.30000111.8C292 M294 H298 L299 G301C292-S296 PolarHBondContact O-OG 3.33Å; M294-S296 VanDerWaalsContact C-N 3.3Å; M294-S296 PolarHBondContact O-N 3.07Å; S296-H298 PolarHBondContact O-N 3.25Å; S296-L299 WeakPolarHBondContact O-CA 3.33Å; S296-L299 PolarHBondContact O-N 2.84Å; S296-G301 PolarHBondContact O-N 3.44Å
297K97.9Very high97.3Very high46 Ų4627.6 Ų27.620%0.215%0.15CC..G310 helixtrans-52.3-30.2173.7-171.6167.1-68.2-710112.5L299 R300 N304 G352 Y353 D355K297-L299 VanDerWaalsContact C-N 3.27Å; K297-L299 PolarHBondContact O-N 2.64Å; K297-R300 WeakPolarHBondContact O-CA 3.44Å; K297-R300 PolarHBondContact O-N 2.94Å; K297-N304 WeakPolarHBondContact CA-OD1 3.38Å; K297-N304 WeakPolarHBondContact CB-OD1 3.32Å; K297-N304 PolarHBondContact N-ND2 2.76Å; K297-N304 PolarHBondContact N-OD1 3Å; K297-G352 WeakPolarHBondContact CD-O 3.23Å; K297-G352 WeakPolarHBondContact CE-O 3.29Å; K297-Y353 WeakPolarHBondContact CB-O 3.49Å; K297-Y353 WeakPolarHBondContact CE-O 3.23Å; K297-D355 VanDerWaalsContact CE-OD1 3.29Å; K297-D355 WeakPolarHBondContact CE-OD1 3.36Å; K297-D355 WeakPolarHBondContact CE-OD2 3.42Å; K297-D355 IonicContact NZ-OD1 3.35Å; K297-D355 PolarHBondContact NZ-OD1 3.48Å; K297-D355 IonicContact NZ-OD2 3.74Å; K297-D355 PolarHBondContact NZ-OD2 2.98Å
298H98Very high97.3Very high105 Ų10529.8 Ų29.849%0.48617%0.168SC..G310 helixtrans-71.8-23.4-178.7-53.613.1000112.2S296 R300 Y353S296-H298 PolarHBondContact O-N 3.25Å; H298-R300 PolarHBondContact O-N 2.81Å; H298-Y353 AromaticContact CE1-CD1 3.57Å; H298-Y353 AromaticContact CE1-CD2 3.81Å; H298-Y353 AromaticContact CE1-CE1 3.87Å; H298-Y353 AromaticContact CE1-CG 3.55Å; H298-Y353 AromaticContact NE2-CE2 3.92Å
299L97.5Very high97.4Very high28 Ų2831.2 Ų31.215%0.14717%0.172CC..G310 helixtrans-90.526.9168.7-58.8-169.9000112.3I268 A272 K278 C292 S296 K297I268-L299 HydrophobicContact CG2-CD1 4.26Å; I268-L299 HydrophobicContact CG2-CD2 4.43Å; A272-L299 HydrophobicContact CB-CD2 4.18Å; K278-L299 PolarHBondContact NZ-O 2.88Å; C292-L299 WeakPolarHBondContact O-CD1 3.4Å; C292-L299 WeakPolarHBondContact O-CG 3.4Å; S296-L299 WeakPolarHBondContact O-CA 3.33Å; S296-L299 PolarHBondContact O-N 2.84Å; K297-L299 VanDerWaalsContact C-N 3.27Å; K297-L299 PolarHBondContact O-N 2.64Å
300R95.8Very high97.5Very high110 Ų11029 Ų2942%0.41515%0.149SC..THydrogen-bonded Turntrans6337.8-179.4-45.9170.2-177.9167.5-4.4112.7K278 K297 H298 D302 N381K278-R300 WeakPolarHBondContact CE-O 3.46Å; K278-R300 PolarHBondContact NZ-O 3.47Å; K297-R300 WeakPolarHBondContact O-CA 3.44Å; K297-R300 PolarHBondContact O-N 2.94Å; H298-R300 PolarHBondContact O-N 2.81Å; R300-D302 PolarHBondContact O-N 3Å; R300-N381 PolarHBondContact NH1-OD1 2.83Å
301G97.3Very high97.5Very high7 Ų731 Ų317%0.07216%0.159CC..  trans-60.3130.1164.200000109.4S296S296-G301 PolarHBondContact O-N 3.44Å
302D98.4Very high97.4Very high42 Ų4230.6 Ų30.623%0.22516%0.158CC..SBendtrans-75-49.9-177.1-59.1-73.5000110P277 K278 R300 L374 K377P277-D302 WeakPolarHBondContact CA-OD2 3.43Å; K278-D302 PolarHBondContact N-OD2 3.22Å; K278-D302 PolarHBondContact O-N 2.86Å; R300-D302 PolarHBondContact O-N 3Å; D302-L374 HydrophobicContact CB-CD1 3.59Å; D302-L374 HydrophobicContact CB-CD2 3.99Å; D302-L374 HydrophobicContact CB-CG 4.47Å; D302-K377 WeakPolarHBondContact OD1-CD 3.46Å; D302-K377 WeakPolarHBondContact OD1-CE 3.42Å; D302-K377 IonicContact OD1-NZ 3.02Å; D302-K377 PolarHBondContact OD1-NZ 3.22Å; D302-K377 IonicContact OD2-NZ 2.69Å; D302-K377 PolarHBondContact OD2-NZ 3.11Å
303I98.4Very high97.2Very high28 Ų2828.6 Ų28.614%0.14415%0.146CC..EExtended strand (participates in β ladder)trans-129.5130.5176-48-68.7000108.9K278 L279 T280 Y305 D355 D370 L374K278-I303 PolarHBondContact O-N 3.48Å; L279-I303 WeakPolarHBondContact CA-O 3.44Å; L279-I303 HydrophobicContact CD2-CB 3.52Å; L279-I303 HydrophobicContact CD2-CG1 3.55Å; T280-I303 PolarHBondContact N-O 3.3Å; I303-Y305 HydrophobicContact CG2-CD1 4.25Å; I303-Y305 HydrophobicContact CG2-CD2 3.92Å; I303-Y305 HydrophobicContact CG2-CE1 3.82Å; I303-Y305 HydrophobicContact CG2-CE2 3.47Å; I303-Y305 VanDerWaalsContact CG2-CE2 3.47Å; I303-Y305 HydrophobicContact CG2-CG 4.3Å; I303-Y305 VanDerWaalsContact CG2-CZ 3.42Å; I303-D355 WeakPolarHBondContact CA-OD2 3.29Å; I303-D370 HydrophobicContact CG1-CB 4.29Å; I303-L374 HydrophobicContact CG1-CD1 4.36Å
304N98.6Very high97Very high4 Ų433.6 Ų33.62%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-127.2103.6179.4-71.586.7000108.1T280 S295 K297 I354 D355T280-N304 WeakPolarHBondContact CB-ND2 3.38Å; T280-N304 CarbonylContact O-C 3.42Å; T280-N304 WeakPolarHBondContact O-CA 3.24Å; S295-N304 PolarHBondContact O-ND2 2.99Å; K297-N304 WeakPolarHBondContact CA-OD1 3.38Å; K297-N304 WeakPolarHBondContact CB-OD1 3.32Å; K297-N304 PolarHBondContact N-ND2 2.76Å; K297-N304 PolarHBondContact N-OD1 3Å; N304-I354 HydrophobicContact CB-CD1 4.12Å; N304-I354 CarbonylContact O-C 3.52Å; N304-I354 WeakPolarHBondContact O-CA 2.97Å; N304-I354 WeakPolarHBondContact O-CG2 3.43Å; N304-D355 PolarHBondContact N-OD2 3.2Å; N304-D355 PolarHBondContact O-N 2.87Å
305Y98.7Very high96.6Very high19 Ų1936.4 Ų36.48%0.07519%0.19CC..EExtended strand (participates in β ladder)trans-95160.9172-65.3-53.5000112T280 I281 V282 I303 D356 I358 R366 D370T280-Y305 PolarHBondContact O-N 3.24Å; I281-Y305 WeakPolarHBondContact CA-O 3.31Å; V282-Y305 PolarHBondContact N-O 3.38Å; I303-Y305 HydrophobicContact CG2-CD1 4.25Å; I303-Y305 HydrophobicContact CG2-CD2 3.92Å; I303-Y305 HydrophobicContact CG2-CE1 3.82Å; I303-Y305 HydrophobicContact CG2-CE2 3.47Å; I303-Y305 VanDerWaalsContact CG2-CE2 3.47Å; I303-Y305 HydrophobicContact CG2-CG 4.3Å; I303-Y305 VanDerWaalsContact CG2-CZ 3.42Å; Y305-D356 WeakPolarHBondContact CA-O 3.48Å; Y305-D356 HydrophobicContact CD1-CB 3.76Å; Y305-D356 HydrophobicContact CE1-CB 3.72Å; Y305-I358 HydrophobicContact CD1-CG2 3.78Å; Y305-I358 HydrophobicContact CD2-CD1 4.03Å; Y305-I358 HydrophobicContact CE1-CG2 4.05Å; Y305-I358 HydrophobicContact CG-CD1 3.99Å; Y305-I358 HydrophobicContact CG-CG1 4.46Å; Y305-I358 HydrophobicContact CG-CG2 4.19Å; Y305-R366 HydrophobicContact CD2-CB 4.49Å; Y305-R366 HydrophobicContact CE2-CB 3.79Å; Y305-R366 HydrophobicContact CE2-CG 4.43Å; Y305-D370 WeakPolarHBondContact CE2-OD2 3.31Å; Y305-D370 PolarHBondContact OH-OD2 3.15Å; Y305-D370 VanDerWaalsContact OH-OD2 3.13Å
306A98.5Very high96.1Very high0 Ų037.5 Ų37.50%020%0.201CC..EExtended strand (participates in β ladder)trans-130.1144.5166.900000110.1V282 A310 P345 I354 D356 I357 I358V282-A306 HydrophobicContact CB-CB 4.32Å; V282-A306 WeakPolarHBondContact O-CA 3.38Å; A306-A310 HydrophobicContact CB-CB 3.77Å; A306-P345 HydrophobicContact CB-CB 3.88Å; A306-I354 HydrophobicContact CB-CG1 4.49Å; A306-I354 HydrophobicContact CB-CG2 3.79Å; A306-D356 PolarHBondContact N-O 3.47Å; A306-D356 VanDerWaalsContact N-O 3.12Å; A306-I357 CarbonylContact O-C 3.54Å; A306-I357 VanDerWaalsContact O-CA 3.29Å; A306-I357 WeakPolarHBondContact O-CA 3.46Å; A306-I358 PolarHBondContact O-N 2.75Å
307W98.2Very high95.6Very high1 Ų138 Ų380%0.00421%0.205CC..  trans-77.5161.4162.4-73.34.5000110.2L154 I157 V158 I171 V282 I283 T309 A310 P360 T363L154-W307 HydrophobicContact CB-CH2 3.85Å; L154-W307 HydrophobicContact CB-CZ2 4.17Å; L154-W307 HydrophobicContact CD1-CH2 4.47Å; L154-W307 HydrophobicContact CD1-CZ2 4.19Å; L154-W307 HydrophobicContact CD2-CH2 4.2Å; L154-W307 HydrophobicContact CG-CH2 4.38Å; I157-W307 HydrophobicContact CG2-CH2 4.17Å; I157-W307 HydrophobicContact CG2-CZ3 3.92Å; V158-W307 HydrophobicContact CG2-CE3 3.97Å; V158-W307 HydrophobicContact CG2-CZ3 3.75Å; I171-W307 HydrophobicContact CD1-CH2 3.84Å; I171-W307 HydrophobicContact CD1-CZ3 4.11Å; I171-W307 HydrophobicContact CG1-CH2 4.37Å; I171-W307 HydrophobicContact CG2-CH2 4.26Å; I171-W307 HydrophobicContact CG2-CZ2 4.49Å; V282-W307 PolarHBondContact O-N 3.24Å; I283-W307 HydrophobicContact CB-CE3 4.48Å; I283-W307 HydrophobicContact CD1-CD2 3.82Å; I283-W307 HydrophobicContact CD1-CE3 4.15Å; I283-W307 HydrophobicContact CD1-CG 4.43Å; I283-W307 HydrophobicContact CD1-CH2 3.98Å; I283-W307 HydrophobicContact CD1-CZ2 3.64Å; I283-W307 HydrophobicContact CD1-CZ3 4.24Å; I283-W307 HydrophobicContact CG2-CD2 4.3Å; I283-W307 HydrophobicContact CG2-CE3 3.66Å; I283-W307 HydrophobicContact CG2-CH2 4.34Å; I283-W307 HydrophobicContact CG2-CZ3 3.7Å; W307-T309 PolarHBondContact O-N 3.49Å; W307-T309 VanDerWaalsContact O-N 3.14Å; W307-A310 WeakPolarHBondContact O-CB 3.31Å; W307-A310 PolarHBondContact O-N 3.02Å; W307-P360 HydrophobicContact CB-CG 4.44Å; W307-P360 HydrophobicContact CD2-CB 3.73Å; W307-P360 HydrophobicContact CD2-CG 3.73Å; W307-P360 HydrophobicContact CE3-CB 3.83Å; W307-P360 HydrophobicContact CE3-CG 3.79Å; W307-P360 HydrophobicContact CG-CB 4.37Å; W307-P360 HydrophobicContact CG-CG 4.02Å; W307-P360 HydrophobicContact CH2-CB 3.89Å; W307-P360 HydrophobicContact CZ2-CB 3.76Å; W307-P360 HydrophobicContact CZ3-CB 3.9Å; W307-P360 HydrophobicContact CZ3-CG 4.28Å; W307-T363 PolarHBondContact NE1-OG1 3.29Å
308P96.1Very high95Very high72 Ų7241.9 Ų41.947%0.46822%0.222SC..THydrogen-bonded Turntrans-59.2-25.8176-24.735.6000113.2A310 I357 I358P308-A310 PolarHBondContact O-N 3.23Å; P308-I357 HydrophobicContact CG-CG2 4.16Å; P308-I358 WeakPolarHBondContact CD-O 3.33Å
309T95.7Very high94.5Very high54 Ų5439 Ų3933%0.33122%0.216SC..THydrogen-bonded Turntrans-77.5-1.817647.60000114.1V158 I283 W307V158-T309 HydrophobicContact CB-CG2 4.35Å; V158-T309 HydrophobicContact CG1-CG2 4.17Å; I283-T309 PolarHBondContact O-OG1 3.46Å; W307-T309 PolarHBondContact O-N 3.49Å; W307-T309 VanDerWaalsContact O-N 3.14Å
310A96.3Very high94.1Very high0 Ų037.8 Ų37.80%021%0.211CC..  trans-72.1134.6-177.200000112.5V282 R284 A306 W307 P308 N344 P345V282-A310 HydrophobicContact CB-CB 4.08Å; V282-A310 HydrophobicContact CG1-CB 3.68Å; R284-A310 CarbonylContact O-C 3.21Å; R284-A310 VanDerWaalsContact O-CA 3.26Å; R284-A310 WeakPolarHBondContact O-CA 3.41Å; A306-A310 HydrophobicContact CB-CB 3.77Å; W307-A310 WeakPolarHBondContact O-CB 3.31Å; W307-A310 PolarHBondContact O-N 3.02Å; P308-A310 PolarHBondContact O-N 3.23Å; A310-N344 CarbonylContact O-C 3.58Å; A310-N344 VanDerWaalsContact O-C 3.28Å; A310-N344 VanDerWaalsContact O-CA 3.3Å; A310-N344 WeakPolarHBondContact O-CA 3.48Å; A310-P345 HydrophobicContact CB-CB 4.12Å; A310-P345 HydrophobicContact CB-CG 4.37Å; A310-P345 WeakPolarHBondContact O-CD 3.31Å
311E94.9Very high93.8Very high43 Ų4332.8 Ų32.820%0.20119%0.192CC..EExtended strand (participates in β ladder)trans-121.9110.1177.2-59.9175.5-174.300108.4R284 S286 Y287 A343R284-E311 PolarHBondContact O-N 3.21Å; S286-E311 PolarHBondContact N-O 3.24Å; Y287-E311 HydrophobicContact CE1-CB 3.92Å; Y287-E311 WeakPolarHBondContact CE1-O 3.32Å; Y287-E311 PolarHBondContact OH-OE2 3.34Å; E311-A343 HydrophobicContact CG-CB 4.32Å
312I95.5Very high93.4Very high18 Ų1838.4 Ų38.49%0.09222%0.217CC..EExtended strand (participates in β ladder)trans-117.8105-173.1-53.4175000109.4V282 S286 Y291 P345 A348 I354V282-I312 HydrophobicContact CG1-CG1 4.29Å; V282-I312 HydrophobicContact CG2-CD1 4.33Å; S286-I312 WeakPolarHBondContact O-CA 3.36Å; Y291-I312 HydrophobicContact CD2-CG2 3.8Å; Y291-I312 HydrophobicContact CE2-CG2 3.73Å; Y291-I312 HydrophobicContact CG-CG2 4.44Å; I312-P345 HydrophobicContact CD1-CB 4.45Å; I312-A348 HydrophobicContact CB-CB 4.27Å; I312-A348 HydrophobicContact CD1-CB 3.9Å; I312-A348 HydrophobicContact CG2-CB 4.11Å; I312-I354 HydrophobicContact CD1-CD1 3.82Å; I312-I354 HydrophobicContact CD1-CG1 3.63Å
313A94.2Very high92.9Very high18 Ų1841.4 Ų41.415%0.14923%0.232CC..EExtended strand (participates in β ladder)trans-149.4172.1-17300000112.8S286 Y287 G288S286-A313 PolarHBondContact O-N 3.07Å; Y287-A313 CarbonylContact C-O 3.56Å; Y287-A313 VanDerWaalsContact CA-O 3.27Å; Y287-A313 WeakPolarHBondContact CA-O 3.41Å; Y287-A313 HydrophobicContact CD1-CB 4.03Å; Y287-A313 HydrophobicContact CE1-CB 4.2Å; G288-A313 PolarHBondContact N-O 3.04Å
314V92.7Very high92.4Very high105 Ų10545.1 Ų45.164%0.63625%0.251SS*.SBendtrans-68.9-36.8176177.60000111.6G288G288-V314 WeakPolarHBondContact CA-O 3.31Å; G288-V314 PolarHBondContact N-O 3.45Å
315M90.7Very high91.7Very high62 Ų6249 Ų4931%0.30527%0.268SS..SBendtrans-160.1171.1175.563-17574.700109.4A319 A320 I323M315-A319 HydrophobicContact CG-CB 4.17Å; M315-A319 VanDerWaalsContact SD-C 3.56Å; M315-A319 HydrophobicContact SD-CB 3.77Å; M315-A320 HydrophobicContact CG-CB 3.76Å; M315-A320 HydrophobicContact SD-CB 4.24Å; M315-I323 HydrophobicContact CE-CD1 3.83Å; M315-I323 HydrophobicContact SD-CD1 3.72Å
316G86.8Confident90.8Very high23 Ų2357.7 Ų57.724%0.23730%0.3CS..  trans-60.5148.417500000112.5K318 A319 A320G316-K318 PolarHBondContact O-N 3.35Å; G316-A319 PolarHBondContact O-N 3.15Å; G316-A320 PolarHBondContact O-N 2.83Å
317A87.4Confident90.1Very high13 Ų1365.3 Ų65.311%0.10734%0.341CS..Hα-helixtrans-53.2-50.1-170.200000113.3A319 A320 V321 E335 Y338 I339A317-A319 VanDerWaalsContact C-N 3.3Å; A317-A319 PolarHBondContact O-N 3.04Å; A317-A320 PolarHBondContact O-N 3.36Å; A317-A320 VanDerWaalsContact O-N 3.09Å; A317-V321 VanDerWaalsContact O-CG2 3.24Å; A317-V321 WeakPolarHBondContact O-CG2 3.2Å; A317-V321 PolarHBondContact O-N 2.69Å; A317-E335 HydrophobicContact CB-CG 3.96Å; A317-Y338 HydrophobicContact CB-CD1 3.71Å; A317-Y338 HydrophobicContact CB-CE1 4.41Å; A317-Y338 HydrophobicContact CB-CG 4.46Å; A317-I339 HydrophobicContact CB-CD1 4.14Å; A317-I339 HydrophobicContact CB-CG1 3.48Å; A317-I339 VanDerWaalsContact CB-CG1 3.48Å
318K86.3Confident89.3Confident128 Ų12868.5 Ų68.556%0.55736%0.358SS*.Hα-helixtrans-51.2-46.4175.9-167.8169.7-175.2169.20113.6G316 Q322 E335G316-K318 PolarHBondContact O-N 3.35Å; K318-Q322 VanDerWaalsContact O-CG 3.29Å; K318-Q322 WeakPolarHBondContact O-CG 3.46Å; K318-Q322 PolarHBondContact O-N 3.37Å; K318-E335 WeakPolarHBondContact CB-OE1 3.35Å; K318-E335 PolarHBondContact N-OE1 3.01Å
319A86.9Confident88.6Confident43 Ų4373 Ų7336%0.35538%0.378SS..Hα-helixtrans-70-38.6-179.800000111.5M315 G316 A317 I323M315-A319 HydrophobicContact CG-CB 4.17Å; M315-A319 VanDerWaalsContact SD-C 3.56Å; M315-A319 HydrophobicContact SD-CB 3.77Å; G316-A319 PolarHBondContact O-N 3.15Å; A317-A319 VanDerWaalsContact C-N 3.3Å; A317-A319 PolarHBondContact O-N 3.04Å; A319-I323 WeakPolarHBondContact O-CG1 3.36Å; A319-I323 PolarHBondContact O-N 3.09Å
320A89.3Confident88.3Confident4 Ų474.1 Ų74.13%0.03338%0.382CS..Hα-helixtrans-64.6-45177.700000111.6M315 G316 A317 Q322 I323 I324 Y338M315-A320 HydrophobicContact CG-CB 3.76Å; M315-A320 HydrophobicContact SD-CB 4.24Å; G316-A320 PolarHBondContact O-N 2.83Å; A317-A320 PolarHBondContact O-N 3.36Å; A317-A320 VanDerWaalsContact O-N 3.09Å; A320-Q322 PolarHBondContact O-N 3.48Å; A320-I323 PolarHBondContact O-N 2.61Å; A320-I323 VanDerWaalsContact O-N 3.11Å; A320-I324 WeakPolarHBondContact O-CG1 3.43Å; A320-I324 PolarHBondContact O-N 3.04Å; A320-Y338 HydrophobicContact CB-CD1 4.39Å; A320-Y338 HydrophobicContact CB-CD2 4.07Å; A320-Y338 HydrophobicContact CB-CE1 3.85Å; A320-Y338 HydrophobicContact CB-CE2 3.48Å; A320-Y338 VanDerWaalsContact CB-CE2 3.48Å; A320-Y338 HydrophobicContact CB-CG 4.49Å
321V88.8Confident87.7Confident5 Ų577.2 Ų77.23%0.0340%0.402CS..Hα-helixtrans-63.9-42-179.2170.20000111.3A317 I323 I324 F325 A334 E335 Y338A317-V321 VanDerWaalsContact O-CG2 3.24Å; A317-V321 WeakPolarHBondContact O-CG2 3.2Å; A317-V321 PolarHBondContact O-N 2.69Å; V321-I323 PolarHBondContact O-N 2.94Å; V321-I323 VanDerWaalsContact O-N 3.15Å; V321-I324 PolarHBondContact O-N 3.19Å; V321-F325 HydrophobicContact CB-CD2 4.31Å; V321-F325 HydrophobicContact CG1-CB 4.21Å; V321-F325 HydrophobicContact CG1-CD2 4.05Å; V321-F325 HydrophobicContact CG2-CD2 4.27Å; V321-F325 CarbonylContact O-C 3.56Å; V321-F325 WeakPolarHBondContact O-CA 3.18Å; V321-F325 WeakPolarHBondContact O-CB 3.46Å; V321-F325 PolarHBondContact O-N 3.1Å; V321-A334 HydrophobicContact CG1-CB 3.71Å; V321-A334 HydrophobicContact CG2-CB 4.46Å; V321-E335 HydrophobicContact CG2-CB 4.15Å; V321-Y338 HydrophobicContact CG2-CG 4.31Å
322Q88.9Confident87.3Confident124 Ų12480.7 Ų80.758%0.57942%0.422SS*.Hα-helixtrans-61.2-23.3175.5-75.4178.5-7.800114K318 A320 R326K318-Q322 VanDerWaalsContact O-CG 3.29Å; K318-Q322 WeakPolarHBondContact O-CG 3.46Å; K318-Q322 PolarHBondContact O-N 3.37Å; A320-Q322 PolarHBondContact O-N 3.48Å; Q322-R326 WeakPolarHBondContact O-CG 3.39Å
323I88.5Confident87.1Confident105 Ų10583.6 Ų83.654%0.53844%0.436SS..Hα-helixtrans-90.8-46.6177.8-65.2172.7000110.9M315 A319 A320 V321M315-I323 HydrophobicContact CE-CD1 3.83Å; M315-I323 HydrophobicContact SD-CD1 3.72Å; A319-I323 WeakPolarHBondContact O-CG1 3.36Å; A319-I323 PolarHBondContact O-N 3.09Å; A320-I323 PolarHBondContact O-N 2.61Å; A320-I323 VanDerWaalsContact O-N 3.11Å; V321-I323 PolarHBondContact O-N 2.94Å; V321-I323 VanDerWaalsContact O-N 3.15Å
324I86.9Confident86.8Confident106 Ų10683 Ų8354%0.54443%0.431SS..Hα-helixtrans-77.5-40.4-173.7-63169.1000111.3A320 V321 Y338A320-I324 WeakPolarHBondContact O-CG1 3.43Å; A320-I324 PolarHBondContact O-N 3.04Å; V321-I324 PolarHBondContact O-N 3.19Å; I324-Y338 HydrophobicContact CD1-CE2 4.04Å
325F85.3Confident86.6Confident87 Ų8780.6 Ų80.638%0.38241%0.412SS..  trans-115.444.2-169.9-60.6-66.4000111.4V321 D327 N328 A334V321-F325 HydrophobicContact CB-CD2 4.31Å; V321-F325 HydrophobicContact CG1-CB 4.21Å; V321-F325 HydrophobicContact CG1-CD2 4.05Å; V321-F325 HydrophobicContact CG2-CD2 4.27Å; V321-F325 CarbonylContact O-C 3.56Å; V321-F325 WeakPolarHBondContact O-CA 3.18Å; V321-F325 WeakPolarHBondContact O-CB 3.46Å; V321-F325 PolarHBondContact O-N 3.1Å; F325-D327 PolarHBondContact O-N 3.44Å; F325-N328 HydrophobicContact CB-CB 3.73Å; F325-N328 WeakPolarHBondContact O-CB 3.23Å; F325-N328 PolarHBondContact O-N 2.88Å; F325-N328 VanDerWaalsContact O-N 3.11Å; F325-A334 HydrophobicContact CB-CB 4.45Å; F325-A334 HydrophobicContact CD2-CB 3.81Å; F325-A334 HydrophobicContact CE2-CB 4.23Å; F325-A334 HydrophobicContact CG-CB 4.16Å
326R79.9Confident86.5Confident201 Ų20182.5 Ų82.576%0.75842%0.42SS*.THydrogen-bonded Turntrans-51.9-39.1-177.2-91.5-172.5175.8174.6-0.7114.2Q322Q322-R326 WeakPolarHBondContact O-CG 3.39Å
327D83.8Confident86.6Confident160 Ų16085.4 Ų85.486%0.85643%0.43SS*.THydrogen-bonded Turntrans-107.224-175.1-54.1-42.7000111.8F325F325-D327 PolarHBondContact O-N 3.44Å
328N80.2Confident86.7Confident67 Ų6785.9 Ų85.936%0.35843%0.43SS..  trans-82.3129.6178.1-171.4-8.9000110.8F325 D330 A334F325-N328 HydrophobicContact CB-CB 3.73Å; F325-N328 WeakPolarHBondContact O-CB 3.23Å; F325-N328 PolarHBondContact O-N 2.88Å; F325-N328 VanDerWaalsContact O-N 3.11Å; N328-D330 PolarHBondContact O-N 2.83Å; N328-D330 PolarHBondContact OD1-N 3.17Å; N328-A334 WeakPolarHBondContact ND2-CB 3.36Å
329D82.6Confident86.7Confident167 Ų16783.4 Ų83.489%0.89342%0.422SS*.SBendtrans-67.4-22.2179.3-63.2-38.9000112.7
330D87.6Confident86.7Confident77 Ų7787.9 Ų87.941%0.41243%0.433SS..  trans-128.481.6175.3-165.7-13.4000112.3N328 N332 Q333 A334N328-D330 PolarHBondContact O-N 2.83Å; N328-D330 PolarHBondContact OD1-N 3.17Å; D330-N332 PolarHBondContact O-N 3.14Å; D330-N332 PolarHBondContact OD1-N 3.41Å; D330-Q333 HydrophobicContact CB-CB 4.23Å; D330-Q333 PolarHBondContact O-N 3Å; D330-Q333 PolarHBondContact OD1-N 2.84Å; D330-Q333 VanDerWaalsContact OD1-N 3.08Å; D330-A334 PolarHBondContact O-N 3.29Å
331P84.2Confident86.6Confident66 Ų6689.9 Ų89.943%0.42945%0.45SS..Hα-helixtrans-65.4-23.317825.7-33.5000113.2E335P331-E335 WeakPolarHBondContact O-CB 3.36Å; P331-E335 PolarHBondContact O-N 2.9Å
332N87.2Confident86.6Confident115 Ų11594.3 Ų94.362%0.61547%0.469SS*.Hα-helixtrans-72.9-45.2-180-67.2-30.1000110.6D330 A334 E335 E336D330-N332 PolarHBondContact O-N 3.14Å; D330-N332 PolarHBondContact OD1-N 3.41Å; N332-A334 VanDerWaalsContact C-N 3.29Å; N332-A334 PolarHBondContact O-N 2.8Å; N332-E335 PolarHBondContact O-N 2.8Å; N332-E335 VanDerWaalsContact O-N 3.17Å; N332-E336 PolarHBondContact O-N 3.3Å
333Q90.4Very high86.4Confident80 Ų8089.3 Ų89.337%0.37445%0.449SS..Hα-helixtrans-61.6-41.2175-173.559.359.200111.2D330 E335 E336 D337D330-Q333 HydrophobicContact CB-CB 4.23Å; D330-Q333 PolarHBondContact O-N 3Å; D330-Q333 PolarHBondContact OD1-N 2.84Å; D330-Q333 VanDerWaalsContact OD1-N 3.08Å; Q333-E335 VanDerWaalsContact C-N 3.3Å; Q333-E335 PolarHBondContact O-N 3Å; Q333-E336 PolarHBondContact O-N 3.04Å; Q333-D337 PolarHBondContact NE2-OD1 3.27Å; Q333-D337 WeakPolarHBondContact O-CB 3.49Å; Q333-D337 VanDerWaalsContact O-CG 3.25Å; Q333-D337 PolarHBondContact O-N 3.46Å
334A88.3Confident86.5Confident5 Ų585.8 Ų85.84%0.04143%0.431CS..Hα-helixtrans-62.3-36.6175.800000112.9V321 F325 N328 D330 N332 Y338V321-A334 HydrophobicContact CG1-CB 3.71Å; V321-A334 HydrophobicContact CG2-CB 4.46Å; F325-A334 HydrophobicContact CB-CB 4.45Å; F325-A334 HydrophobicContact CD2-CB 3.81Å; F325-A334 HydrophobicContact CE2-CB 4.23Å; F325-A334 HydrophobicContact CG-CB 4.16Å; N328-A334 WeakPolarHBondContact ND2-CB 3.36Å; D330-A334 PolarHBondContact O-N 3.29Å; N332-A334 VanDerWaalsContact C-N 3.29Å; N332-A334 PolarHBondContact O-N 2.8Å; A334-Y338 WeakPolarHBondContact O-CB 3.44Å; A334-Y338 PolarHBondContact O-N 3.42Å
335E88.1Confident86.7Confident54 Ų5480.8 Ų80.825%0.25241%0.406SS..Hα-helixtrans-65.8-45.1174.4-172.6169.6176.500111.8A317 K318 V321 P331 N332 Q333 D337 Y338 I339A317-E335 HydrophobicContact CB-CG 3.96Å; K318-E335 WeakPolarHBondContact CB-OE1 3.35Å; K318-E335 PolarHBondContact N-OE1 3.01Å; V321-E335 HydrophobicContact CG2-CB 4.15Å; P331-E335 WeakPolarHBondContact O-CB 3.36Å; P331-E335 PolarHBondContact O-N 2.9Å; N332-E335 PolarHBondContact O-N 2.8Å; N332-E335 VanDerWaalsContact O-N 3.17Å; Q333-E335 VanDerWaalsContact C-N 3.3Å; Q333-E335 PolarHBondContact O-N 3Å; E335-D337 VanDerWaalsContact C-N 3.34Å; E335-D337 PolarHBondContact O-N 3.4Å; E335-Y338 PolarHBondContact O-N 3.14Å; E335-I339 HydrophobicContact CG-CD1 4.1Å; E335-I339 VanDerWaalsContact O-CG1 3.29Å; E335-I339 WeakPolarHBondContact O-CG1 3.44Å; E335-I339 PolarHBondContact O-N 3.28Å
336E88.4Confident87.2Confident102 Ų10282.5 Ų82.548%0.47741%0.413SS..Hα-helixtrans-60.1-43.3174.6-74.3-168.1-175.200112.8N332 Q333 Y338 I339 K340N332-E336 PolarHBondContact O-N 3.3Å; Q333-E336 PolarHBondContact O-N 3.04Å; E336-Y338 VanDerWaalsContact C-N 3.33Å; E336-I339 PolarHBondContact O-N 2.97Å; E336-K340 WeakPolarHBondContact O-CG 3.36Å; E336-K340 PolarHBondContact O-N 2.88Å; E336-K340 IonicContact OE2-NZ 3.73Å
337D89.6Confident87.8Confident84 Ų8474.7 Ų74.745%0.44939%0.388SS..Hα-helixtrans-65.5-39.7179.2-69.1-13.5000110.9Q333 E335 K340 A341Q333-D337 PolarHBondContact NE2-OD1 3.27Å; Q333-D337 WeakPolarHBondContact O-CB 3.49Å; Q333-D337 VanDerWaalsContact O-CG 3.25Å; Q333-D337 PolarHBondContact O-N 3.46Å; E335-D337 VanDerWaalsContact C-N 3.34Å; E335-D337 PolarHBondContact O-N 3.4Å; D337-K340 PolarHBondContact O-N 2.89Å; D337-A341 VanDerWaalsContact O-CB 3.28Å; D337-A341 WeakPolarHBondContact O-CB 3.49Å; D337-A341 PolarHBondContact O-N 3.21Å
338Y89.1Confident88.3Confident24 Ų2467.3 Ų67.39%0.09435%0.35CS..Hα-helixtrans-64.9-42.3174.6-167.5-79.2000111.7A317 A320 V321 I324 A334 E335 E336 A341 F342A317-Y338 HydrophobicContact CB-CD1 3.71Å; A317-Y338 HydrophobicContact CB-CE1 4.41Å; A317-Y338 HydrophobicContact CB-CG 4.46Å; A320-Y338 HydrophobicContact CB-CD1 4.39Å; A320-Y338 HydrophobicContact CB-CD2 4.07Å; A320-Y338 HydrophobicContact CB-CE1 3.85Å; A320-Y338 HydrophobicContact CB-CE2 3.48Å; A320-Y338 VanDerWaalsContact CB-CE2 3.48Å; A320-Y338 HydrophobicContact CB-CG 4.49Å; V321-Y338 HydrophobicContact CG2-CG 4.31Å; I324-Y338 HydrophobicContact CD1-CE2 4.04Å; A334-Y338 WeakPolarHBondContact O-CB 3.44Å; A334-Y338 PolarHBondContact O-N 3.42Å; E335-Y338 PolarHBondContact O-N 3.14Å; E336-Y338 VanDerWaalsContact C-N 3.33Å; Y338-A341 PolarHBondContact O-N 3.08Å; Y338-F342 HydrophobicContact CD1-CB 4.15Å; Y338-F342 HydrophobicContact CD1-CD2 4.11Å; Y338-F342 AromaticContact CD2-CD2 3.63Å; Y338-F342 HydrophobicContact CD2-CD2 3.63Å; Y338-F342 HydrophobicContact CD2-CE2 4.06Å; Y338-F342 HydrophobicContact CE1-CB 3.77Å; Y338-F342 HydrophobicContact CE1-CD2 4.05Å; Y338-F342 HydrophobicContact CE1-CG 4.29Å; Y338-F342 AromaticContact CE2-CD2 3.56Å; Y338-F342 HydrophobicContact CE2-CD2 3.56Å; Y338-F342 HydrophobicContact CE2-CE2 4Å; Y338-F342 HydrophobicContact CE2-CG 4.37Å; Y338-F342 AromaticContact CG-CD2 3.91Å; Y338-F342 HydrophobicContact CG-CD2 3.91Å; Y338-F342 AromaticContact CZ-CD2 3.78Å; Y338-F342 WeakPolarHBondContact O-CB 3.16Å; Y338-F342 PolarHBondContact O-N 3.26Å
339I86.6Confident89Confident76 Ų7666 Ų6639%0.3934%0.344SS..Hα-helixtrans-59.9-50.1176.3-72.5169.2000110.1A317 E335 E336 A341 F342 A343A317-I339 HydrophobicContact CB-CD1 4.14Å; A317-I339 HydrophobicContact CB-CG1 3.48Å; A317-I339 VanDerWaalsContact CB-CG1 3.48Å; E335-I339 HydrophobicContact CG-CD1 4.1Å; E335-I339 VanDerWaalsContact O-CG1 3.29Å; E335-I339 WeakPolarHBondContact O-CG1 3.44Å; E335-I339 PolarHBondContact O-N 3.28Å; E336-I339 PolarHBondContact O-N 2.97Å; I339-A341 VanDerWaalsContact C-N 3.27Å; I339-A341 PolarHBondContact O-N 3.47Å; I339-F342 PolarHBondContact O-N 3.42Å; I339-A343 HydrophobicContact CB-CB 4.17Å; I339-A343 HydrophobicContact CG1-CB 4.26Å; I339-A343 HydrophobicContact CG2-CB 4.02Å; I339-A343 WeakPolarHBondContact O-CA 3.48Å; I339-A343 WeakPolarHBondContact O-CB 3.33Å; I339-A343 PolarHBondContact O-N 3.25Å
340K86.4Confident89.6Confident136 Ų13664.5 Ų64.559%0.59134%0.336SS*.Hα-helixtrans-59.4-38.4178.1-74.3170.2-173.71560112.2E336 D337 N344E336-K340 WeakPolarHBondContact O-CG 3.36Å; E336-K340 PolarHBondContact O-N 2.88Å; E336-K340 IonicContact OE2-NZ 3.73Å; D337-K340 PolarHBondContact O-N 2.89Å; K340-N344 PolarHBondContact O-ND2 3.23Å
341A87.3Confident90Very high47 Ų4769.5 Ų69.539%0.38835%0.349SS..Hα-helixtrans-80-38.5-177.600000113.8D337 Y338 I339 P347D337-A341 VanDerWaalsContact O-CB 3.28Å; D337-A341 WeakPolarHBondContact O-CB 3.49Å; D337-A341 PolarHBondContact O-N 3.21Å; Y338-A341 PolarHBondContact O-N 3.08Å; I339-A341 VanDerWaalsContact C-N 3.27Å; I339-A341 PolarHBondContact O-N 3.47Å; A341-P347 VanDerWaalsContact O-CG 3.26Å; A341-P347 WeakPolarHBondContact O-CG 3.32Å
342F88.8Confident90.6Very high97 Ų9768.4 Ų68.443%0.42535%0.35SS..Hα-helixtrans-130.1-22.5-164.5-58.6-67.4000115.6Y338 I339 N344Y338-F342 HydrophobicContact CD1-CB 4.15Å; Y338-F342 HydrophobicContact CD1-CD2 4.11Å; Y338-F342 AromaticContact CD2-CD2 3.63Å; Y338-F342 HydrophobicContact CD2-CD2 3.63Å; Y338-F342 HydrophobicContact CD2-CE2 4.06Å; Y338-F342 HydrophobicContact CE1-CB 3.77Å; Y338-F342 HydrophobicContact CE1-CD2 4.05Å; Y338-F342 HydrophobicContact CE1-CG 4.29Å; Y338-F342 AromaticContact CE2-CD2 3.56Å; Y338-F342 HydrophobicContact CE2-CD2 3.56Å; Y338-F342 HydrophobicContact CE2-CE2 4Å; Y338-F342 HydrophobicContact CE2-CG 4.37Å; Y338-F342 AromaticContact CG-CD2 3.91Å; Y338-F342 HydrophobicContact CG-CD2 3.91Å; Y338-F342 AromaticContact CZ-CD2 3.78Å; Y338-F342 WeakPolarHBondContact O-CB 3.16Å; Y338-F342 PolarHBondContact O-N 3.26Å; I339-F342 PolarHBondContact O-N 3.42Å; F342-N344 PolarHBondContact O-N 3.12Å
343A85.8Confident91Very high19 Ų1966.8 Ų66.816%0.15734%0.336CS..SBendtrans-86.653.3179.200000111.1E311 I339E311-A343 HydrophobicContact CG-CB 4.32Å; I339-A343 HydrophobicContact CB-CB 4.17Å; I339-A343 HydrophobicContact CG1-CB 4.26Å; I339-A343 HydrophobicContact CG2-CB 4.02Å; I339-A343 WeakPolarHBondContact O-CA 3.48Å; I339-A343 WeakPolarHBondContact O-CB 3.33Å; I339-A343 PolarHBondContact O-N 3.25Å
344N90.3Very high91.4Very high31 Ų3163.1 Ų63.117%0.16632%0.319CS..SBendtrans-157.5168.417662.879000108.6A310 K340 F342 F346 P347A310-N344 CarbonylContact O-C 3.58Å; A310-N344 VanDerWaalsContact O-C 3.28Å; A310-N344 VanDerWaalsContact O-CA 3.3Å; A310-N344 WeakPolarHBondContact O-CA 3.48Å; K340-N344 PolarHBondContact O-ND2 3.23Å; F342-N344 PolarHBondContact O-N 3.12Å; N344-F346 HydrophobicContact CB-CD2 4.39Å; N344-F346 WeakPolarHBondContact OD1-CB 3.42Å; N344-F346 WeakPolarHBondContact OD1-CD2 3.2Å; N344-F346 PolarHBondContact OD1-N 3.19Å; N344-P347 WeakPolarHBondContact OD1-CD 3.11Å
345P91.8Very high91.9Very high2 Ų266.5 Ų66.51%0.01334%0.336CS..SBendtrans-82.2-15.3-173.326.5-23.8000113.5A306 A310 I312 A348 V349 I357A306-P345 HydrophobicContact CB-CB 3.88Å; A310-P345 HydrophobicContact CB-CB 4.12Å; A310-P345 HydrophobicContact CB-CG 4.37Å; A310-P345 WeakPolarHBondContact O-CD 3.31Å; I312-P345 HydrophobicContact CD1-CB 4.45Å; P345-A348 PolarHBondContact O-N 3.42Å; P345-V349 WeakPolarHBondContact O-CG2 3.43Å; P345-V349 PolarHBondContact O-N 3.2Å; P345-V349 VanDerWaalsContact O-N 3.1Å; P345-I357 HydrophobicContact CB-CD1 4.17Å; P345-I357 HydrophobicContact CB-CG1 4.22Å; P345-I357 HydrophobicContact CG-CD1 3.72Å; P345-I357 HydrophobicContact CG-CG1 4.03Å
346F94.1Very high92.3Very high122 Ų12267.3 Ų67.354%0.53534%0.342SS..Hα-helixtrans-59.3-41-170.7-64.3-71.3000114.7N344 A348 V349 N350 I357N344-F346 HydrophobicContact CB-CD2 4.39Å; N344-F346 WeakPolarHBondContact OD1-CB 3.42Å; N344-F346 WeakPolarHBondContact OD1-CD2 3.2Å; N344-F346 PolarHBondContact OD1-N 3.19Å; F346-A348 PolarHBondContact O-N 3.2Å; F346-V349 PolarHBondContact O-N 3.13Å; F346-N350 WeakPolarHBondContact O-CB 3.44Å; F346-N350 VanDerWaalsContact O-CG 3.29Å; F346-N350 PolarHBondContact O-N 3.39Å; F346-N350 PolarHBondContact O-ND2 3.38Å; F346-I357 HydrophobicContact CD1-CD1 3.73Å; F346-I357 HydrophobicContact CE1-CD1 3.55Å; F346-I357 HydrophobicContact CG-CD1 4.45Å; F346-I357 HydrophobicContact CZ-CD1 4.13Å
347P93.2Very high92.8Very high37 Ų3764.4 Ų64.424%0.2433%0.329CS..Hα-helixtrans-57.4-36.3175.3-27.634.2000113.6A341 N344 R351A341-P347 VanDerWaalsContact O-CG 3.26Å; A341-P347 WeakPolarHBondContact O-CG 3.32Å; N344-P347 WeakPolarHBondContact OD1-CD 3.11Å; P347-R351 WeakPolarHBondContact O-CG 3.38Å
348A95.2Very high93.2Very high5 Ų560.6 Ų60.64%0.04131%0.309CS..Hα-helixtrans-75.4-39.8178.600000111.6I312 P345 F346 R351 G352 Y353 I354I312-A348 HydrophobicContact CB-CB 4.27Å; I312-A348 HydrophobicContact CD1-CB 3.9Å; I312-A348 HydrophobicContact CG2-CB 4.11Å; P345-A348 PolarHBondContact O-N 3.42Å; F346-A348 PolarHBondContact O-N 3.2Å; A348-R351 PolarHBondContact O-N 2.92Å; A348-G352 PolarHBondContact O-N 3.43Å; A348-Y353 WeakPolarHBondContact O-CB 3.35Å; A348-Y353 PolarHBondContact O-N 2.95Å; A348-I354 HydrophobicContact CB-CG1 3.91Å
349V94.8Very high93.6Very high41 Ų4163.5 Ų63.525%0.24833%0.326CS..Hα-helixtrans-63.4-45.5175.4175.20000111.5P345 F346 R351 G352 I354 I357P345-V349 WeakPolarHBondContact O-CG2 3.43Å; P345-V349 PolarHBondContact O-N 3.2Å; P345-V349 VanDerWaalsContact O-N 3.1Å; F346-V349 PolarHBondContact O-N 3.13Å; V349-R351 PolarHBondContact O-N 2.86Å; V349-G352 PolarHBondContact O-N 2.85Å; V349-I354 HydrophobicContact CG2-CB 3.76Å; V349-I354 HydrophobicContact CG2-CG2 3.78Å; V349-I357 HydrophobicContact CG2-CD1 3.86Å; V349-I357 HydrophobicContact CG2-CG1 3.74Å
350N94.6Very high94.2Very high135 Ų13560.5 Ų60.572%0.72231%0.312SS*.THydrogen-bonded Turntrans-60.4-20.2178.1-74.7-24.3000113.2F346F346-N350 WeakPolarHBondContact O-CB 3.44Å; F346-N350 VanDerWaalsContact O-CG 3.29Å; F346-N350 PolarHBondContact O-N 3.39Å; F346-N350 PolarHBondContact O-ND2 3.38Å
351R95.9Very high94.8Very high181 Ų18156 Ų5668%0.68329%0.293SS*.THydrogen-bonded Turntrans-97.1-1.1174.7-67-175175.6179.9-0.4113.6P347 A348 V349 Y353P347-R351 WeakPolarHBondContact O-CG 3.38Å; A348-R351 PolarHBondContact O-N 2.92Å; V349-R351 PolarHBondContact O-N 2.86Å; R351-Y353 VanDerWaalsContact C-N 3.31Å; R351-Y353 HydrophobicContact CB-CD1 3.88Å; R351-Y353 HydrophobicContact CB-CD2 3.98Å; R351-Y353 HydrophobicContact CB-CE1 3.71Å; R351-Y353 HydrophobicContact CB-CE2 3.85Å; R351-Y353 HydrophobicContact CB-CG 4.01Å; R351-Y353 HydrophobicContact CG-CE2 4.42Å; R351-Y353 VanDerWaalsContact O-CD1 3.28Å; R351-Y353 WeakPolarHBondContact O-CD1 3.31Å; R351-Y353 WeakPolarHBondContact O-CE1 3.49Å
352G96.2Very high95.3Very high43 Ų4355.5 Ų55.544%0.44328%0.283SS..THydrogen-bonded Turntrans72.420.8-176.900000114K297 A348 V349K297-G352 WeakPolarHBondContact CD-O 3.23Å; K297-G352 WeakPolarHBondContact CE-O 3.29Å; A348-G352 PolarHBondContact O-N 3.43Å; V349-G352 PolarHBondContact O-N 2.85Å
353Y97.2Very high95.8Very high81 Ų8150.9 Ų50.932%0.31826%0.263SS..SBendtrans-84-24.2-179.6-58.5-12000112.3K297 H298 A348 R351K297-Y353 WeakPolarHBondContact CB-O 3.49Å; K297-Y353 WeakPolarHBondContact CE-O 3.23Å; H298-Y353 AromaticContact CE1-CD1 3.57Å; H298-Y353 AromaticContact CE1-CD2 3.81Å; H298-Y353 AromaticContact CE1-CE1 3.87Å; H298-Y353 AromaticContact CE1-CG 3.55Å; H298-Y353 AromaticContact NE2-CE2 3.92Å; A348-Y353 WeakPolarHBondContact O-CB 3.35Å; A348-Y353 PolarHBondContact O-N 2.95Å; R351-Y353 VanDerWaalsContact C-N 3.31Å; R351-Y353 HydrophobicContact CB-CD1 3.88Å; R351-Y353 HydrophobicContact CB-CD2 3.98Å; R351-Y353 HydrophobicContact CB-CE1 3.71Å; R351-Y353 HydrophobicContact CB-CE2 3.85Å; R351-Y353 HydrophobicContact CB-CG 4.01Å; R351-Y353 HydrophobicContact CG-CE2 4.42Å; R351-Y353 VanDerWaalsContact O-CD1 3.28Å; R351-Y353 WeakPolarHBondContact O-CD1 3.31Å; R351-Y353 WeakPolarHBondContact O-CE1 3.49Å
354I98Very high96.3Very high3 Ų350 Ų502%0.01526%0.255CS..SBendtrans-116.9132.1169.4-62.4-58000106.1V282 N304 A306 I312 A348 V349 D356V282-I354 HydrophobicContact CG2-CD1 4.27Å; N304-I354 HydrophobicContact CB-CD1 4.12Å; N304-I354 CarbonylContact O-C 3.52Å; N304-I354 WeakPolarHBondContact O-CA 2.97Å; N304-I354 WeakPolarHBondContact O-CG2 3.43Å; A306-I354 HydrophobicContact CB-CG1 4.49Å; A306-I354 HydrophobicContact CB-CG2 3.79Å; I312-I354 HydrophobicContact CD1-CD1 3.82Å; I312-I354 HydrophobicContact CD1-CG1 3.63Å; A348-I354 HydrophobicContact CB-CG1 3.91Å; V349-I354 HydrophobicContact CG2-CB 3.76Å; V349-I354 HydrophobicContact CG2-CG2 3.78Å; I354-D356 VanDerWaalsContact CG2-O 3.24Å; I354-D356 WeakPolarHBondContact CG2-O 3.38Å
355D97.9Very high96.7Very high76 Ų7650.4 Ų50.441%0.40626%0.258SS..SBendtrans-77-36.4-176.5-59.4-66.7000112.2K297 I303 N304K297-D355 VanDerWaalsContact CE-OD1 3.29Å; K297-D355 WeakPolarHBondContact CE-OD1 3.36Å; K297-D355 WeakPolarHBondContact CE-OD2 3.42Å; K297-D355 IonicContact NZ-OD1 3.35Å; K297-D355 PolarHBondContact NZ-OD1 3.48Å; K297-D355 IonicContact NZ-OD2 3.74Å; K297-D355 PolarHBondContact NZ-OD2 2.98Å; I303-D355 WeakPolarHBondContact CA-OD2 3.29Å; N304-D355 PolarHBondContact N-OD2 3.2Å; N304-D355 PolarHBondContact O-N 2.87Å
356D97.9Very high97Very high72 Ų7254.6 Ų54.639%0.38527%0.273SS..EExtended strand (participates in β ladder)trans-157.6156.4178.1-156.73.8000111.9Y305 A306 I354 I358Y305-D356 WeakPolarHBondContact CA-O 3.48Å; Y305-D356 HydrophobicContact CD1-CB 3.76Å; Y305-D356 HydrophobicContact CE1-CB 3.72Å; A306-D356 PolarHBondContact N-O 3.47Å; A306-D356 VanDerWaalsContact N-O 3.12Å; I354-D356 VanDerWaalsContact CG2-O 3.24Å; I354-D356 WeakPolarHBondContact CG2-O 3.38Å; D356-I358 HydrophobicContact CB-CG2 4.23Å
357I98Very high97.2Very high40 Ų4048.8 Ų48.821%0.20525%0.248CC..EExtended strand (participates in β ladder)trans-101.1116.8166.4-60.1163000106.8A306 P308 P345 F346 V349A306-I357 CarbonylContact O-C 3.54Å; A306-I357 VanDerWaalsContact O-CA 3.29Å; A306-I357 WeakPolarHBondContact O-CA 3.46Å; P308-I357 HydrophobicContact CG-CG2 4.16Å; P345-I357 HydrophobicContact CB-CD1 4.17Å; P345-I357 HydrophobicContact CB-CG1 4.22Å; P345-I357 HydrophobicContact CG-CD1 3.72Å; P345-I357 HydrophobicContact CG-CG1 4.03Å; F346-I357 HydrophobicContact CD1-CD1 3.73Å; F346-I357 HydrophobicContact CE1-CD1 3.55Å; F346-I357 HydrophobicContact CG-CD1 4.45Å; F346-I357 HydrophobicContact CZ-CD1 4.13Å; V349-I357 HydrophobicContact CG2-CD1 3.86Å; V349-I357 HydrophobicContact CG2-CG1 3.74Å
358I98.1Very high97.4Very high4 Ų447.6 Ų47.62%0.02124%0.24CC..  trans-110.8145.1-175.265.9174.1000110.8Y305 A306 P308 D356 R366Y305-I358 HydrophobicContact CD1-CG2 3.78Å; Y305-I358 HydrophobicContact CD2-CD1 4.03Å; Y305-I358 HydrophobicContact CE1-CG2 4.05Å; Y305-I358 HydrophobicContact CG-CD1 3.99Å; Y305-I358 HydrophobicContact CG-CG1 4.46Å; Y305-I358 HydrophobicContact CG-CG2 4.19Å; A306-I358 PolarHBondContact O-N 2.75Å; P308-I358 WeakPolarHBondContact CD-O 3.33Å; D356-I358 HydrophobicContact CB-CG2 4.23Å; I358-R366 HydrophobicContact CD1-CB 4.39Å; I358-R366 HydrophobicContact CD1-CG 4.11Å; I358-R366 HydrophobicContact CG2-CG 4.39Å
359D98.2Very high97.5Very high86 Ų8652.8 Ų52.846%0.4626%0.263SS..  trans-62136.3168.3-66.3-42.2000110H361 L362D359-H361 VanDerWaalsContact C-N 3.3Å; D359-H361 VanDerWaalsContact CB-CE1 3.48Å; D359-H361 WeakPolarHBondContact CB-CE1 3.33Å; D359-H361 PolarHBondContact O-N 2.95Å; D359-L362 HydrophobicContact CB-CD1 4.1Å; D359-L362 HydrophobicContact CB-CG 4.35Å; D359-L362 WeakPolarHBondContact O-CB 3.47Å; D359-L362 PolarHBondContact O-N 3.3Å
360P98.5Very high97.7Very high13 Ų1351.6 Ų51.68%0.08426%0.256CS..G310 helixtrans-53.1-42.7-174.2-29.135.2000114.1L154 D155 W307 L362 T363L154-P360 HydrophobicContact CB-CB 3.73Å; L154-P360 WeakPolarHBondContact CD1-O 3.27Å; L154-P360 VanDerWaalsContact O-CB 3.3Å; L154-P360 WeakPolarHBondContact O-CB 3.33Å; D155-P360 WeakPolarHBondContact OD1-CB 3.4Å; D155-P360 WeakPolarHBondContact OD1-CD 3.28Å; W307-P360 HydrophobicContact CB-CG 4.44Å; W307-P360 HydrophobicContact CD2-CB 3.73Å; W307-P360 HydrophobicContact CD2-CG 3.73Å; W307-P360 HydrophobicContact CE3-CB 3.83Å; W307-P360 HydrophobicContact CE3-CG 3.79Å; W307-P360 HydrophobicContact CG-CB 4.37Å; W307-P360 HydrophobicContact CG-CG 4.02Å; W307-P360 HydrophobicContact CH2-CB 3.89Å; W307-P360 HydrophobicContact CZ2-CB 3.76Å; W307-P360 HydrophobicContact CZ3-CB 3.9Å; W307-P360 HydrophobicContact CZ3-CG 4.28Å; P360-L362 PolarHBondContact O-N 2.98Å; P360-L362 VanDerWaalsContact O-N 3.1Å; P360-T363 VanDerWaalsContact O-CB 3.23Å; P360-T363 WeakPolarHBondContact O-CB 3.46Å; P360-T363 PolarHBondContact O-N 3.37Å; P360-T363 PolarHBondContact O-OG1 3.23Å
361H98.5Very high97.8Very high40 Ų4045.4 Ų45.419%0.18522%0.223CC..G310 helixtrans-62.9-15.1179.367.2-98.7000115.4V151 D155 D359V151-H361 PolarHBondContact N-O 2.81Å; V151-H361 WeakPolarHBondContact O-CA 3.46Å; V151-H361 WeakPolarHBondContact O-CB 3.25Å; D155-H361 IonicContact OD1-CG 3.59Å; D155-H361 PolarHBondContact OD1-N 3.12Å; D155-H361 IonicContact OD1-ND1 3.95Å; D155-H361 PolarHBondContact OD1-ND1 3.06Å; D155-H361 VanDerWaalsContact OD1-ND1 3.11Å; D155-H361 IonicContact OD2-CE1 2.67Å; D155-H361 IonicContact OD2-CG 3.66Å; D155-H361 IonicContact OD2-ND1 2.8Å; D155-H361 PolarHBondContact OD2-ND1 3.3Å; D359-H361 VanDerWaalsContact C-N 3.3Å; D359-H361 VanDerWaalsContact CB-CE1 3.48Å; D359-H361 WeakPolarHBondContact CB-CE1 3.33Å; D359-H361 PolarHBondContact O-N 2.95Å
362L98.3Very high97.8Very high37 Ų3742.3 Ų42.319%0.19422%0.216CC..G310 helixtrans-86.2-6.8176.3-64.8172.5000113.3L150 D359 P360 R364 L365 R366L150-L362 HydrophobicContact CD2-CD2 3.69Å; D359-L362 HydrophobicContact CB-CD1 4.1Å; D359-L362 HydrophobicContact CB-CG 4.35Å; D359-L362 WeakPolarHBondContact O-CB 3.47Å; D359-L362 PolarHBondContact O-N 3.3Å; P360-L362 PolarHBondContact O-N 2.98Å; P360-L362 VanDerWaalsContact O-N 3.1Å; L362-R364 PolarHBondContact O-N 3Å; L362-L365 PolarHBondContact O-N 2.92Å; L362-R366 HydrophobicContact CB-CG 4.45Å; L362-R366 WeakPolarHBondContact O-CG 3.46Å; L362-R366 PolarHBondContact O-N 3.25Å
363T98.6Very high97.8Very high0 Ų046.3 Ų46.30%023%0.226CC..Hα-helixtrans-51.4-51.6-171.8-66.60000113.2I175 I281 W307 P360 L365 R366 L367I175-T363 HydrophobicContact CG2-CG2 3.75Å; I281-T363 HydrophobicContact CD1-CG2 3.29Å; W307-T363 PolarHBondContact NE1-OG1 3.29Å; P360-T363 VanDerWaalsContact O-CB 3.23Å; P360-T363 WeakPolarHBondContact O-CB 3.46Å; P360-T363 PolarHBondContact O-N 3.37Å; P360-T363 PolarHBondContact O-OG1 3.23Å; T363-L365 PolarHBondContact O-N 3.17Å; T363-R366 PolarHBondContact O-N 3.47Å; T363-L367 HydrophobicContact CG2-CD1 3.98Å; T363-L367 HydrophobicContact CG2-CG 4.42Å; T363-L367 WeakPolarHBondContact O-CG 3.4Å; T363-L367 PolarHBondContact O-N 2.97Å
364R98.2Very high97.8Very high0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-58.1-50.8-179.8174.7176.7173.676.92.2111.6D145 P146 V151 I175 I176 D177 L362 R366 L367 C368D145-R364 PolarHBondContact O-NH2 2.97Å; D145-R364 IonicContact OD1-CZ 3.39Å; D145-R364 IonicContact OD1-NE 2.79Å; D145-R364 IonicContact OD1-NH2 3.11Å; D145-R364 PolarHBondContact OD1-NH2 3.46Å; D145-R364 IonicContact OD2-CZ 2.83Å; D145-R364 IonicContact OD2-NH1 3.19Å; D145-R364 IonicContact OD2-NH2 2.87Å; P146-R364 PolarHBondContact O-NE 3.34Å; P146-R364 PolarHBondContact O-NH2 3.08Å; V151-R364 HydrophobicContact CG2-CB 4.05Å; I175-R364 WeakPolarHBondContact O-CD 3.28Å; I175-R364 WeakPolarHBondContact O-CG 3.48Å; I175-R364 PolarHBondContact O-NH1 3.39Å; I176-R364 VanDerWaalsContact C-NH1 3.32Å; D177-R364 IonicContact OD1-CZ 3.53Å; D177-R364 VanDerWaalsContact OD1-CZ 3.27Å; D177-R364 IonicContact OD1-NH1 3.34Å; D177-R364 PolarHBondContact OD1-NH1 3.37Å; D177-R364 IonicContact OD1-NH2 3.9Å; D177-R364 PolarHBondContact OD1-NH2 3.44Å; L362-R364 PolarHBondContact O-N 3Å; R364-R366 VanDerWaalsContact C-N 3.3Å; R364-R366 PolarHBondContact O-N 3.03Å; R364-L367 PolarHBondContact O-N 3.26Å; R364-C368 PolarHBondContact O-N 3.44Å; R364-C368 PolarHBondContact O-SG 3.45Å; R364-C368 VanDerWaalsContact O-SG 3.41Å
365L97.6Very high97.6Very high41 Ų4146.5 Ų46.522%0.21523%0.231CC..Hα-helixtrans-55.2-46.8-179.5176.5153.2000111.4I147 D148 L362 T363 H369I147-L365 WeakPolarHBondContact O-CA 3.28Å; D148-L365 HydrophobicContact CB-CD1 4.04Å; L362-L365 PolarHBondContact O-N 2.92Å; T363-L365 PolarHBondContact O-N 3.17Å; L365-H369 PolarHBondContact O-N 2.91Å; L365-H369 VanDerWaalsContact O-N 3.14Å
366R98.1Very high97.5Very high89 Ų8953.9 Ų53.934%0.33625%0.253SS..Hα-helixtrans-62.7-48.9179-65.7-63.3-171.9-179.65.2111.6Y305 I358 L362 T363 R364 C368 H369 D370Y305-R366 HydrophobicContact CD2-CB 4.49Å; Y305-R366 HydrophobicContact CE2-CB 3.79Å; Y305-R366 HydrophobicContact CE2-CG 4.43Å; I358-R366 HydrophobicContact CD1-CB 4.39Å; I358-R366 HydrophobicContact CD1-CG 4.11Å; I358-R366 HydrophobicContact CG2-CG 4.39Å; L362-R366 HydrophobicContact CB-CG 4.45Å; L362-R366 WeakPolarHBondContact O-CG 3.46Å; L362-R366 PolarHBondContact O-N 3.25Å; T363-R366 PolarHBondContact O-N 3.47Å; R364-R366 VanDerWaalsContact C-N 3.3Å; R364-R366 PolarHBondContact O-N 3.03Å; R366-C368 PolarHBondContact O-N 3.26Å; R366-H369 PolarHBondContact O-N 2.63Å; R366-D370 PolarHBondContact O-N 2.78Å
367L98.3Very high97.5Very high0 Ų052.9 Ų52.90%025%0.245CC..Hα-helixtrans-59.6-44.6179.4-69.5179.3000112.5I175 L199 I241 L279 I281 T363 R364 D370 L371I175-L367 HydrophobicContact CD1-CD1 4.12Å; L199-L367 HydrophobicContact CD1-CB 4.04Å; L199-L367 HydrophobicContact CD1-CD1 4.11Å; I241-L367 HydrophobicContact CD1-CD2 4.15Å; I241-L367 HydrophobicContact CG2-CD1 3.98Å; I241-L367 HydrophobicContact CG2-CD2 4.27Å; L279-L367 HydrophobicContact CB-CD2 3.9Å; L279-L367 HydrophobicContact CD1-CD2 3.92Å; I281-L367 HydrophobicContact CD1-CD1 3.94Å; I281-L367 HydrophobicContact CD1-CD2 3.86Å; I281-L367 HydrophobicContact CD1-CG 3.95Å; I281-L367 HydrophobicContact CG1-CD2 4.34Å; T363-L367 HydrophobicContact CG2-CD1 3.98Å; T363-L367 HydrophobicContact CG2-CG 4.42Å; T363-L367 WeakPolarHBondContact O-CG 3.4Å; T363-L367 PolarHBondContact O-N 2.97Å; R364-L367 PolarHBondContact O-N 3.26Å; L367-D370 PolarHBondContact O-N 2.72Å; L367-L371 WeakPolarHBondContact O-CB 3.41Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 3.03Å
368C97.6Very high97.4Very high12 Ų1259 Ų598%0.08127%0.27CS..Hα-helixtrans-60.6-46177.8-71.70000112I147 R364 R366 L371 E372I147-C368 HydrophobicContact CB-CB 4.06Å; R364-C368 PolarHBondContact O-N 3.44Å; R364-C368 PolarHBondContact O-SG 3.45Å; R364-C368 VanDerWaalsContact O-SG 3.41Å; R366-C368 PolarHBondContact O-N 3.26Å; C368-L371 PolarHBondContact O-N 2.87Å; C368-E372 PolarHBondContact O-N 2.76Å
369H97.3Very high97.3Very high114 Ų11462 Ų6253%0.52829%0.286SS..Hα-helixtrans-61.7-45.2177.2-104.5-121.7000112.4L365 R366 L371 E372 L373L365-H369 PolarHBondContact O-N 2.91Å; L365-H369 VanDerWaalsContact O-N 3.14Å; R366-H369 PolarHBondContact O-N 2.63Å; H369-L371 PolarHBondContact O-N 3.43Å; H369-E372 PolarHBondContact O-N 3.4Å; H369-L373 PolarHBondContact O-N 3.38Å
370D98Very high97.2Very high16 Ų1664.8 Ų64.89%0.08630%0.296CS..Hα-helixtrans-70.3-33.7-177.7-66.8-28.6000112.3L279 I303 Y305 R366 L367 E372 L373 L374L279-D370 HydrophobicContact CD1-CB 3.85Å; L279-D370 HydrophobicContact CD2-CB 3.62Å; L279-D370 HydrophobicContact CG-CB 4.43Å; I303-D370 HydrophobicContact CG1-CB 4.29Å; Y305-D370 WeakPolarHBondContact CE2-OD2 3.31Å; Y305-D370 PolarHBondContact OH-OD2 3.15Å; Y305-D370 VanDerWaalsContact OH-OD2 3.13Å; R366-D370 PolarHBondContact O-N 2.78Å; L367-D370 PolarHBondContact O-N 2.72Å; D370-E372 VanDerWaalsContact C-N 3.3Å; D370-E372 PolarHBondContact O-N 3.5Å; D370-L373 PolarHBondContact O-N 3.16Å; D370-L374 VanDerWaalsContact O-CB 3.31Å; D370-L374 WeakPolarHBondContact O-CB 3.2Å; D370-L374 VanDerWaalsContact O-CG 3.28Å; D370-L374 WeakPolarHBondContact O-CG 3.38Å; D370-L374 PolarHBondContact O-N 3.41Å
371L97.3Very high97.2Very high6 Ų666.9 Ų66.93%0.03131%0.307CS..Hα-helixtrans-62.5-38.7173-74.9169.4000111.8L199 V204 P239 I241 L279 L367 C368 H369 E375L199-L371 HydrophobicContact CB-CD1 3.69Å; L199-L371 HydrophobicContact CD1-CD1 3.87Å; L199-L371 HydrophobicContact CG-CD1 4.45Å; V204-L371 HydrophobicContact CG1-CD1 3.69Å; V204-L371 HydrophobicContact CG1-CD2 4.09Å; P239-L371 HydrophobicContact CB-CD2 3.58Å; P239-L371 HydrophobicContact CG-CD2 4Å; I241-L371 HydrophobicContact CD1-CD2 4.32Å; L279-L371 HydrophobicContact CD1-CD2 3.87Å; L279-L371 HydrophobicContact CD1-CG 3.77Å; L367-L371 WeakPolarHBondContact O-CB 3.41Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 3.03Å; C368-L371 PolarHBondContact O-N 2.87Å; H369-L371 PolarHBondContact O-N 3.43Å; L371-E375 PolarHBondContact O-N 3.02Å
372E95.6Very high97.2Very high115 Ų11569.2 Ų69.254%0.53733%0.326SS..Hα-helixtrans-66.4-46.2173.7-173.2176.2-17100111.2C368 H369 D370 L374 E375C368-E372 PolarHBondContact O-N 2.76Å; H369-E372 PolarHBondContact O-N 3.4Å; D370-E372 VanDerWaalsContact C-N 3.3Å; D370-E372 PolarHBondContact O-N 3.5Å; E372-L374 VanDerWaalsContact C-N 3.33Å; E372-L374 PolarHBondContact O-N 3.27Å; E372-E375 VanDerWaalsContact O-CB 3.3Å; E372-E375 WeakPolarHBondContact O-CB 3.46Å; E372-E375 PolarHBondContact O-N 3Å
373L96.6Very high97.2Very high127 Ų12778.7 Ų78.767%0.66536%0.359SS*.Hα-helixtrans-58.9-43.9178-179.864.5000112.2H369 D370 E375H369-L373 PolarHBondContact O-N 3.38Å; D370-L373 PolarHBondContact O-N 3.16Å; L373-E375 VanDerWaalsContact C-N 3.3Å; L373-E375 PolarHBondContact O-N 3.12Å
374L97.5Very high97.1Very high25 Ų2583.6 Ų83.613%0.13138%0.38CS..G310 helixtrans-85.62.3-175.9-64.3173.9000113.6P277 L279 D302 I303 D370 E372 R376 K377P277-L374 HydrophobicContact CB-CB 3.8Å; P277-L374 HydrophobicContact CB-CD1 3.94Å; P277-L374 HydrophobicContact CG-CB 3.92Å; L279-L374 HydrophobicContact CD2-CD1 3.62Å; L279-L374 HydrophobicContact CG-CD1 4.39Å; D302-L374 HydrophobicContact CB-CD1 3.59Å; D302-L374 HydrophobicContact CB-CD2 3.99Å; D302-L374 HydrophobicContact CB-CG 4.47Å; I303-L374 HydrophobicContact CG1-CD1 4.36Å; D370-L374 VanDerWaalsContact O-CB 3.31Å; D370-L374 WeakPolarHBondContact O-CB 3.2Å; D370-L374 VanDerWaalsContact O-CG 3.28Å; D370-L374 WeakPolarHBondContact O-CG 3.38Å; D370-L374 PolarHBondContact O-N 3.41Å; E372-L374 VanDerWaalsContact C-N 3.33Å; E372-L374 PolarHBondContact O-N 3.27Å; L374-R376 PolarHBondContact O-N 3.18Å; L374-R376 VanDerWaalsContact O-N 3.07Å; L374-K377 WeakPolarHBondContact O-CB 3.47Å; L374-K377 PolarHBondContact O-N 3.41Å
375E94.4Very high97.1Very high64 Ų6492.9 Ų92.930%0.29942%0.421SS..G310 helixtrans-56-32.4-178.6176.4165.6-148.300112.5K137 R202 L371 E372 L373K137-E375 VanDerWaalsContact NZ-CG 3.27Å; K137-E375 PolarHBondContact NZ-O 3Å; K137-E375 IonicContact NZ-OE1 3.71Å; R202-E375 IonicContact CZ-OE1 3.27Å; R202-E375 IonicContact CZ-OE2 2.76Å; R202-E375 IonicContact NH1-OE1 3.73Å; R202-E375 PolarHBondContact NH1-OE1 3.23Å; R202-E375 IonicContact NH1-OE2 3.47Å; R202-E375 PolarHBondContact NH1-OE2 3.42Å; R202-E375 IonicContact NH2-OE1 3.57Å; R202-E375 IonicContact NH2-OE2 3.52Å; R202-E375 PolarHBondContact NH2-OE2 3.49Å; L371-E375 PolarHBondContact O-N 3.02Å; E372-E375 VanDerWaalsContact O-CB 3.3Å; E372-E375 WeakPolarHBondContact O-CB 3.46Å; E372-E375 PolarHBondContact O-N 3Å; L373-E375 VanDerWaalsContact C-N 3.3Å; L373-E375 PolarHBondContact O-N 3.12Å
376R94.7Very high97.2Very high230 Ų23098 Ų9887%0.86844%0.443SS*.G310 helixtrans-97.510.8-179.3-61.4-177.8-177.6170.82.2113.4L374 K378L374-R376 PolarHBondContact O-N 3.18Å; L374-R376 VanDerWaalsContact O-N 3.07Å; R376-K378 PolarHBondContact O-N 2.76Å
377K97.6Very high97.1Very high52 Ų5294.8 Ų94.823%0.22643%0.434CS..  trans-53.8127.6176.3-178.9-176.6177.3-178.50109.5T275 V276 P277 D302 L374T275-K377 WeakPolarHBondContact O-CE 3.14Å; T275-K377 PolarHBondContact O-NZ 3.08Å; V276-K377 PolarHBondContact O-NZ 3.03Å; P277-K377 HydrophobicContact CG-CB 4.38Å; P277-K377 HydrophobicContact CG-CD 4.29Å; D302-K377 WeakPolarHBondContact OD1-CD 3.46Å; D302-K377 WeakPolarHBondContact OD1-CE 3.42Å; D302-K377 IonicContact OD1-NZ 3.02Å; D302-K377 PolarHBondContact OD1-NZ 3.22Å; D302-K377 IonicContact OD2-NZ 2.69Å; D302-K377 PolarHBondContact OD2-NZ 3.11Å; L374-K377 WeakPolarHBondContact O-CB 3.47Å; L374-K377 PolarHBondContact O-N 3.41Å
378K96.3Very high97.1Very high167 Ų167102.2 Ų102.273%0.72647%0.474SS*.  trans-131.9119.8170.9-171.7179.3177.2-164.40108.3R376 E380R376-K378 PolarHBondContact O-N 2.76Å; K378-E380 WeakPolarHBondContact CE-OE1 3.24Å; K378-E380 IonicContact NZ-OE1 2.67Å; K378-E380 PolarHBondContact NZ-OE1 2.87Å
379L96.5Very high97.1Very high69 Ų69103.3 Ų103.336%0.36148%0.478SS..  trans-135135.2177.3-179.365.4000108.2T275T275-L379 HydrophobicContact CG2-CB 4.35Å; T275-L379 HydrophobicContact CG2-CD2 4.24Å; T275-L379 HydrophobicContact CG2-CG 4.25Å
380E96.4Very high97.2Very high143 Ų14399.6 Ų99.667%0.66846%0.464SS*.  trans-114.1134179.2-67.1179.2-172.400109.4K378K378-E380 WeakPolarHBondContact CE-OE1 3.24Å; K378-E380 IonicContact NZ-OE1 2.67Å; K378-E380 PolarHBondContact NZ-OE1 2.87Å
381N97.3Very high97.1Very high58 Ų58106.6 Ų106.631%0.3150%0.501SS..PPolyproline II helixtrans-83.8158.4173-82.8-42.5000111E273 T275 R300 W383E273-N381 PolarHBondContact O-ND2 2.86Å; T275-N381 WeakPolarHBondContact CG2-ND2 3.42Å; R300-N381 PolarHBondContact NH1-OD1 2.83Å; N381-W383 PolarHBondContact O-N 3.04Å
382P98.2Very high97.1Very high89 Ų89111.7 Ų111.758%0.57852%0.524SS*.PPolyproline II helixtrans-54.7137.2173.8-2533.9000112K384P382-K384 VanDerWaalsContact O-CE 3.28Å; P382-K384 WeakPolarHBondContact O-CE 3.16Å; P382-K384 PolarHBondContact O-N 3.31Å
383W98.2Very high97.2Very high236 Ų236111.5 Ų111.589%0.89452%0.524SS*.PPolyproline II helixtrans-60133.4-179.3-178.289000111.8N381N381-W383 PolarHBondContact O-N 3.04Å
384K98.1Very high97.2Very high103 Ų103110.6 Ų110.645%0.44852%0.516SS..  trans-160.8161.1175.565.1-169.379.9172.40109P382 H386P382-K384 VanDerWaalsContact O-CE 3.28Å; P382-K384 WeakPolarHBondContact O-CE 3.16Å; P382-K384 PolarHBondContact O-N 3.31Å; K384-H386 WeakPolarHBondContact CD-O 3.44Å
385K98.2Very high97.2Very high195 Ų195115.6 Ų115.685%0.84854%0.539SS*.SBendtrans-63.7-46.5172.4-70.2-172.8177.5-177.50111.7
386H98.3Very high97.4Very high149 Ų149118.9 Ų118.969%0.6955%0.554SS**SBendtrans-163.4168.5171.252.381.3000108.4K384K384-H386 WeakPolarHBondContact CD-O 3.44Å
387S97.5Very high97.5Very high21 Ų21111.5 Ų111.515%0.14753%0.533CS..  trans-71164170.438.50000112.5E273E273-S387 WeakPolarHBondContact OE1-CB 3.31Å; E273-S387 PolarHBondContact OE1-OG 3.02Å
388N98Very high97.5Very high155 Ų155115.7 Ų115.783%0.82955%0.554SS**  trans-119.459.7173-17233.1000109.2
389M97.7Very high97.6Very high36 Ų36111.8 Ų111.818%0.17754%0.541CS..  trans-65.9152.7-179.269.1176.7-75.900111.2K266 F269 L391K266-M389 HydrophobicContact CB-CE 4.37Å; K266-M389 HydrophobicContact CG-CE 4.28Å; F269-M389 HydrophobicContact CD1-CB 3.59Å; F269-M389 HydrophobicContact CD2-CB 4.08Å; F269-M389 HydrophobicContact CE1-CB 3.7Å; F269-M389 HydrophobicContact CE2-CB 4.18Å; F269-M389 HydrophobicContact CG-CB 3.83Å; F269-M389 HydrophobicContact CZ-CB 4.04Å; M389-L391 HydrophobicContact CG-CD2 4.29Å; M389-L391 PolarHBondContact O-N 2.9Å
390P98Very high97.7Very high35 Ų35115.3 Ų115.323%0.22756%0.556CS.*  trans-55133.9168.3-24.835.2000111.7R262 A265 K266R262-P390 HydrophobicContact CB-CB 4.3Å; R262-P390 HydrophobicContact CG-CB 4Å; A265-P390 HydrophobicContact CB-CG 4.23Å; K266-P390 WeakPolarHBondContact CE-O 3.34Å; K266-P390 HydrophobicContact CG-CB 4.33Å
391L96.8Very high97.9Very high164 Ų164112.8 Ų112.886%0.85955%0.546SS*.  trans-102.20175.3-60.5-177.2000111.9K266 M389K266-L391 WeakPolarHBondContact CE-OXT 3.45Å; K266-L391 PolarHBondContact NZ-OXT 2.74Å; M389-L391 HydrophobicContact CG-CD2 4.29Å; M389-L391 PolarHBondContact O-N 2.9Å

Retrieved 391 of 391 residues in 283.7 ms (Link to these results)

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