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GTPase KRas

Ras proteins bind GDP/GTP and possess intrinsic GTPase activity. Plays an important role in the regulation of cell proliferation. Activates MAPK1/MAPK3 resulting in phosphorylation and ultimately degradation of GJA1 (By similarity). May play a role in promoting oncogenic events by inducing transcriptional silencing of tumor suppressor genes (TSGs).

AlphaFold DB , UniProt , Accession P79800, Species MELGA (Meleagris gallopavo, Wild turkey), Gene KRAS, Length 188 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
1M85.7Confident96.6Very high138 Ų13832.8 Ų32.868%0.6817%0.165SC*.  0131.60175174.255.100107.4Q43 T50 L52M1-Q43 HydrophobicContact SD-CG 3.79Å; M1-T50 HydrophobicContact CG-CG2 4.4Å; M1-T50 HydrophobicContact SD-CG2 3.89Å; M1-L52 HydrophobicContact CE-CB 3.88Å; M1-L52 HydrophobicContact SD-CB 4.15Å
2T95.6Very high96.4Very high57 Ų5731.8 Ų31.835%0.3517%0.169SC..EExtended strand (participates in β ladder)trans-75.3133.8178.9-470000109.6Y4 E49 C51 L52T2-Y4 HydrophobicContact CG2-CD2 4.43Å; T2-Y4 HydrophobicContact CG2-CE1 4.04Å; T2-Y4 HydrophobicContact CG2-CE2 3.78Å; T2-E49 PolarHBondContact OG1-OE1 2.91Å; T2-C51 CarbonylContact O-C 3.58Å; T2-C51 VanDerWaalsContact O-CA 3.27Å; T2-C51 WeakPolarHBondContact O-CA 3.09Å; T2-C51 VanDerWaalsContact O-CB 3.28Å; T2-C51 WeakPolarHBondContact O-CB 3.35Å; T2-L52 PolarHBondContact O-N 3.06Å
3E98Very high96.3Very high70 Ų7031.3 Ų31.333%0.32718%0.176SC..EExtended strand (participates in β ladder)trans-97.7139.8170.7-173.5-178.4134.900109.2K5 R41 L52 D54E3-K5 IonicContact OE1-NZ 3.95Å; E3-K5 PolarHBondContact OE1-NZ 3.38Å; E3-R41 IonicContact OE1-NH2 2.82Å; E3-L52 CarbonylContact C-O 3.59Å; E3-L52 WeakPolarHBondContact CA-O 3.38Å; E3-L52 HydrophobicContact CB-CB 4.5Å; E3-L52 HydrophobicContact CG-CB 4.43Å; E3-L52 HydrophobicContact CG-CD2 4.22Å; E3-L52 HydrophobicContact CG-CG 4.5Å; E3-D54 HydrophobicContact CG-CB 4.09Å
4Y98.5Very high96.4Very high9 Ų929.1 Ų29.14%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-124.3120.1174.8-64.1-78.9000110T2 L6 E49 C51 L52 D54 E76 V160 I163 R164T2-Y4 HydrophobicContact CG2-CD2 4.43Å; T2-Y4 HydrophobicContact CG2-CE1 4.04Å; T2-Y4 HydrophobicContact CG2-CE2 3.78Å; Y4-L6 PolarHBondContact O-N 3.32Å; Y4-E49 PolarHBondContact OH-OE1 3.29Å; Y4-C51 HydrophobicContact CD2-CB 3.76Å; Y4-C51 HydrophobicContact CE2-CB 3.55Å; Y4-L52 PolarHBondContact N-O 3.09Å; Y4-D54 PolarHBondContact O-N 3.44Å; Y4-E76 WeakPolarHBondContact CA-OE2 3.49Å; Y4-V160 HydrophobicContact CD1-CG1 4.46Å; Y4-V160 HydrophobicContact CD2-CG1 3.83Å; Y4-V160 HydrophobicContact CD2-CG2 4.33Å; Y4-V160 HydrophobicContact CE1-CG1 4.33Å; Y4-V160 HydrophobicContact CE2-CG1 3.7Å; Y4-V160 HydrophobicContact CG-CG1 4.23Å; Y4-V160 HydrophobicContact CG-CG2 4.38Å; Y4-I163 HydrophobicContact CD1-CB 4.22Å; Y4-I163 HydrophobicContact CD1-CD1 4.28Å; Y4-I163 HydrophobicContact CD1-CG2 3.75Å; Y4-I163 HydrophobicContact CE1-CB 4.45Å; Y4-I163 HydrophobicContact CE1-CG2 3.96Å; Y4-R164 HydrophobicContact CE1-CG 4.2Å; Y4-R164 WeakPolarHBondContact OH-CG 2.82Å; Y4-R164 PolarHBondContact OH-NE 3.17Å
5K98.4Very high96.5Very high73 Ų7328.3 Ų28.332%0.31716%0.164SC..EExtended strand (participates in β ladder)trans-86.9102.3178.3-62.1-171.8178.6-57.60110.9E3 D54 E76 G77E3-K5 IonicContact OE1-NZ 3.95Å; E3-K5 PolarHBondContact OE1-NZ 3.38Å; K5-D54 CarbonylContact C-O 3.55Å; K5-D54 WeakPolarHBondContact CA-O 3.28Å; K5-D54 HydrophobicContact CG-CB 4.36Å; K5-D54 IonicContact NZ-OD2 4Å; K5-D54 PolarHBondContact NZ-OD2 2.69Å; K5-E76 HydrophobicContact CB-CB 4.49Å; K5-E76 HydrophobicContact CB-CG 4.18Å; K5-E76 PolarHBondContact N-OE2 2.84Å; K5-E76 PolarHBondContact O-N 3.13Å; K5-G77 PolarHBondContact O-N 3.12Å
6L98.6Very high96.5Very high1 Ų127.1 Ų27.11%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-101.8137-177.8-47-173.2000109.3Y4 L53 D54 I55 L56 G77 F156 L159 V160 I163Y4-L6 PolarHBondContact O-N 3.32Å; L6-L53 HydrophobicContact CD1-CB 4.4Å; L6-L53 HydrophobicContact CD1-CD1 4.44Å; L6-L53 HydrophobicContact CD1-CD2 4.24Å; L6-D54 PolarHBondContact N-O 3.01Å; L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.39Å; L6-I55 CarbonylContact O-C 3.55Å; L6-I55 WeakPolarHBondContact O-CA 3.44Å; L6-L56 PolarHBondContact O-N 3.46Å; L6-G77 WeakPolarHBondContact CA-O 3.43Å; L6-F156 HydrophobicContact CD1-CD1 3.92Å; L6-L159 HydrophobicContact CB-CD2 4.16Å; L6-L159 HydrophobicContact CD1-CD2 4.39Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.12Å; L6-L159 HydrophobicContact CG-CD2 4.35Å; L6-V160 HydrophobicContact CD1-CG2 4.29Å; L6-V160 HydrophobicContact CD2-CG2 4.43Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å
7V98.3Very high96.6Very high2 Ų227.2 Ų27.21%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-120.6130.8175.9-174.40000109.3V9 L56 T58 Y71 G77 F78 L79V7-V9 HydrophobicContact CG1-CG1 3.84Å; V7-L56 HydrophobicContact CG2-CB 4.29Å; V7-L56 HydrophobicContact CG2-CD2 4.48Å; V7-T58 HydrophobicContact CG1-CG2 3.72Å; V7-Y71 HydrophobicContact CG1-CD2 3.75Å; V7-Y71 HydrophobicContact CG1-CE2 4.26Å; V7-Y71 HydrophobicContact CG1-CG 4.41Å; V7-G77 PolarHBondContact N-O 2.88Å; V7-F78 HydrophobicContact CB-CD1 3.7Å; V7-F78 HydrophobicContact CB-CE1 3.77Å; V7-F78 HydrophobicContact CG1-CD1 4.25Å; V7-F78 HydrophobicContact CG1-CE1 4.28Å; V7-F78 HydrophobicContact CG2-CD1 4.35Å; V7-F78 HydrophobicContact CG2-CE1 3.92Å; V7-F78 CarbonylContact O-C 3.31Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.47Å; V7-L79 PolarHBondContact O-N 3.36Å
8V98.2Very high96.6Very high0 Ų026.7 Ų26.70%016%0.158CC..EExtended strand (participates in β ladder)trans-99.7113.6177.7-167.30000108.6K16 I55 L56 T58 L79 V81 F156V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.65Å; V8-K16 HydrophobicContact CG1-CD 4.13Å; V8-K16 HydrophobicContact CG1-CG 3.86Å; V8-I55 HydrophobicContact CG2-CG2 3.89Å; V8-L56 PolarHBondContact N-O 2.94Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.09Å; V8-L79 HydrophobicContact CG1-CB 4.28Å; V8-L79 HydrophobicContact CG2-CD1 4.49Å; V8-V81 HydrophobicContact CG1-CG2 3.59Å; V8-F156 HydrophobicContact CG2-CE1 3.99Å; V8-F156 HydrophobicContact CG2-CZ 4.22Å
9V97.4Very high96.7Very high0 Ų025.4 Ų25.40%015%0.151CC..EExtended strand (participates in β ladder)trans-119.1158.1-178.4-57.90000111.4V7 Y71 M72 F78 L79 V81 Y96 I100V7-V9 HydrophobicContact CG1-CG1 3.84Å; V9-Y71 HydrophobicContact CG1-CE2 3.78Å; V9-M72 HydrophobicContact CG1-CE 4.49Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; V9-L79 WeakPolarHBondContact CG2-O 3.47Å; V9-L79 PolarHBondContact N-O 3.3Å; V9-V81 PolarHBondContact O-N 2.94Å; V9-Y96 HydrophobicContact CB-CD1 3.9Å; V9-Y96 HydrophobicContact CB-CE1 4.31Å; V9-Y96 HydrophobicContact CG2-CD1 4.18Å; V9-Y96 HydrophobicContact CG2-CG 4.36Å; V9-I100 HydrophobicContact CG2-CD1 4.06Å
10G97.5Very high96.7Very high0 Ų024.1 Ų24.10%014%0.143CC..  trans145.8164.6-177.200000111.8K16 G60 V81 Y96G10-K16 PolarHBondContact O-NZ 3.21Å; G10-G60 VanDerWaalsContact O-CA 3.23Å; G10-G60 WeakPolarHBondContact O-CA 3.48Å; G10-V81 WeakPolarHBondContact CA-O 3.34Å; G10-Y96 VanDerWaalsContact C-CZ 3.47Å; G10-Y96 VanDerWaalsContact C-OH 3.29Å; G10-Y96 PolarHBondContact O-OH 3.35Å
11A96.3Very high96.7Very high11 Ų1124.1 Ų24.19%0.09114%0.142CC..SBendtrans-57.4166.1-176.900000113.7V14 K16A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.28Å; A11-V14 WeakPolarHBondContact O-CG2 3.33Å; A11-K16 PolarHBondContact O-NZ 3.27Å; A11-K16 VanDerWaalsContact O-NZ 3.11Å
12G95.1Very high97.3Very high20 Ų2018.2 Ų18.221%0.20611%0.113CC..THydrogen-bonded Turntrans-55.9144171.600000111.7V14 G60G12-V14 PolarHBondContact O-N 3.31Å; G12-V14 VanDerWaalsContact O-N 3.07Å; G12-G60 PolarHBondContact N-O 3.24Å; G12-G60 VanDerWaalsContact N-O 3.13Å
13G94.9Very high97.4Very high26 Ų2615.5 Ų15.527%0.26810%0.096SC..THydrogen-bonded Turntrans68.93.2173.800000117.3G15 Y32 K117G13-G15 PolarHBondContact O-N 3.17Å; G13-Y32 PolarHBondContact N-OH 2.97Å; G13-Y32 VanDerWaalsContact N-OH 3.16Å; G13-K117 VanDerWaalsContact O-CE 3.28Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 3.22Å
14V97.3Very high97.3Very high1 Ų114 Ų141%0.0069%0.09CC..SBendtrans-72.4-15.2179.1-57.40000113.6A11 G12 K16 V81 A83 N116A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.28Å; A11-V14 WeakPolarHBondContact O-CG2 3.33Å; G12-V14 PolarHBondContact O-N 3.31Å; G12-V14 VanDerWaalsContact O-N 3.07Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.62Å; V14-V81 HydrophobicContact CB-CG1 4.34Å; V14-V81 HydrophobicContact CG2-CB 4.02Å; V14-V81 HydrophobicContact CG2-CG1 3.84Å; V14-A83 HydrophobicContact CB-CB 4.27Å; V14-A83 HydrophobicContact CG1-CB 4.37Å; V14-N116 PolarHBondContact O-ND2 3.44Å
15G97.3Very high97.1Very high16 Ų1619 Ų1917%0.16511%0.114CC..SBendtrans97.332.2177.200000115.2G13 A18 L19G13-G15 PolarHBondContact O-N 3.17Å; G15-A18 PolarHBondContact O-N 3.36Å; G15-L19 WeakPolarHBondContact O-CG 3.38Å; G15-L19 PolarHBondContact O-N 3.27Å
16K97.7Very high96.9Very high10 Ų1020.8 Ų20.84%0.04313%0.127CC..Hα-helixtrans-57.4-54.7175.6-57.8-170.7-61.1-73.40111.9V8 G10 A11 V14 A18 L19 T20 D57 T58 G60 V81V8-K16 HydrophobicContact CB-CB 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.65Å; V8-K16 HydrophobicContact CG1-CD 4.13Å; V8-K16 HydrophobicContact CG1-CG 3.86Å; G10-K16 PolarHBondContact O-NZ 3.21Å; A11-K16 PolarHBondContact O-NZ 3.27Å; A11-K16 VanDerWaalsContact O-NZ 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.62Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 3.1Å; K16-L19 WeakPolarHBondContact O-CB 3.37Å; K16-L19 PolarHBondContact O-N 3.44Å; K16-T20 PolarHBondContact O-N 3.5Å; K16-T20 PolarHBondContact O-OG1 3.42Å; K16-D57 VanDerWaalsContact CB-OD1 3.24Å; K16-D57 WeakPolarHBondContact CB-OD1 3.49Å; K16-T58 WeakPolarHBondContact CE-O 3.45Å; K16-T58 PolarHBondContact NZ-O 3.02Å; K16-G60 VanDerWaalsContact NZ-CA 3.26Å; K16-V81 HydrophobicContact CG-CB 4.28Å; K16-V81 HydrophobicContact CG-CG2 4.41Å
17S97Very high96.6Very high28 Ų2825.6 Ų25.620%0.19615%0.149CC..Hα-helixtrans-61.3-42.3176.9-35.10000111.8L19 T20 I21 T35 D57S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.36Å; S17-T20 PolarHBondContact O-N 3.3Å; S17-I21 WeakPolarHBondContact O-CB 3.44Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.42Å; S17-I21 PolarHBondContact O-N 3.42Å; S17-T35 PolarHBondContact OG-OG1 3.08Å; S17-D57 WeakPolarHBondContact CA-OD2 3.49Å; S17-D57 WeakPolarHBondContact CB-OD2 3.49Å; S17-D57 PolarHBondContact N-OD1 2.96Å; S17-D57 PolarHBondContact N-OD2 3.09Å; S17-D57 PolarHBondContact OG-OD2 3.45Å
18A97.3Very high96.3Very high18 Ų1828.3 Ų28.315%0.14916%0.161CC..Hα-helixtrans-61-41176.700000112.2G15 K16 Q22 F28 A146G15-A18 PolarHBondContact O-N 3.36Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 3.1Å; A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 3.02Å; A18-F28 HydrophobicContact CB-CE2 4.27Å; A18-A146 HydrophobicContact CB-CB 3.64Å
19L98.2Very high95.6Very high2 Ų231.2 Ų31.21%0.0118%0.178CC..Hα-helixtrans-64.6-45.4173.9-71.8170.9000111.6G15 K16 S17 Q22 L23 V81 V114 N116 A146 V152 F156G15-L19 WeakPolarHBondContact O-CG 3.38Å; G15-L19 PolarHBondContact O-N 3.27Å; K16-L19 WeakPolarHBondContact O-CB 3.37Å; K16-L19 PolarHBondContact O-N 3.44Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.36Å; L19-Q22 PolarHBondContact O-N 3.29Å; L19-L23 PolarHBondContact O-N 3.13Å; L19-V81 HydrophobicContact CD1-CG1 3.88Å; L19-V81 HydrophobicContact CD1-CG2 4.2Å; L19-V114 HydrophobicContact CD1-CG1 4.02Å; L19-N116 HydrophobicContact CD1-CB 4.28Å; L19-A146 HydrophobicContact CD2-CB 3.95Å; L19-A146 HydrophobicContact CG-CB 4.23Å; L19-V152 HydrophobicContact CD2-CG2 3.78Å; L19-F156 HydrophobicContact CB-CE2 4.39Å
20T97.4Very high95Very high0 Ų037.7 Ų37.70%021%0.213CC..Hα-helixtrans-63.3-51.8179.6-57.50000111.1K16 S17 Q22 L23 I24 Y40 I55K16-T20 PolarHBondContact O-N 3.5Å; K16-T20 PolarHBondContact O-OG1 3.42Å; S17-T20 PolarHBondContact O-N 3.3Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.34Å; T20-L23 WeakPolarHBondContact O-CB 3.39Å; T20-L23 PolarHBondContact O-N 3.17Å; T20-L23 VanDerWaalsContact O-N 3.15Å; T20-I24 HydrophobicContact CG2-CG1 4.24Å; T20-I24 WeakPolarHBondContact O-CG1 3.4Å; T20-I24 PolarHBondContact O-N 3.01Å; T20-Y40 HydrophobicContact CG2-CD2 3.36Å; T20-Y40 HydrophobicContact CG2-CE2 3.8Å; T20-Y40 HydrophobicContact CG2-CG 3.81Å; T20-I55 HydrophobicContact CG2-CB 4.46Å; T20-I55 HydrophobicContact CG2-CG2 3.84Å
21I96.3Very high94.5Very high25 Ų2545.7 Ų45.713%0.12825%0.25CS..Hα-helixtrans-61-42178.1-66.3166.6000110.8S17 L23 I24 Q25 V29S17-I21 WeakPolarHBondContact O-CB 3.44Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.42Å; S17-I21 PolarHBondContact O-N 3.42Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.04Å; I21-I24 PolarHBondContact O-N 3.02Å; I21-Q25 HydrophobicContact CG2-CB 4.38Å; I21-Q25 HydrophobicContact CG2-CG 4.5Å; I21-Q25 WeakPolarHBondContact O-CB 3.4Å; I21-Q25 PolarHBondContact O-N 3.41Å; I21-V29 HydrophobicContact CD1-CG2 4.36Å; I21-V29 HydrophobicContact CG2-CG2 4.24Å
22Q97.6Very high93.7Very high13 Ų1351.6 Ų51.66%0.06127%0.271CS..Hα-helixtrans-60.5-43.8176-178.263.5-92.200111.1A18 L19 T20 N26 H27 A146 R149 V152A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 3.02Å; L19-Q22 PolarHBondContact O-N 3.29Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.34Å; Q22-N26 VanDerWaalsContact O-CA 3.31Å; Q22-N26 WeakPolarHBondContact O-CA 3.45Å; Q22-N26 PolarHBondContact O-N 3.02Å; Q22-N26 VanDerWaalsContact O-N 3.08Å; Q22-N26 VanDerWaalsContact OE1-CA 3.29Å; Q22-H27 VanDerWaalsContact CA-O 3.28Å; Q22-H27 WeakPolarHBondContact CA-O 3.42Å; Q22-H27 PolarHBondContact N-O 3.31Å; Q22-A146 WeakPolarHBondContact CG-O 3.47Å; Q22-A146 PolarHBondContact NE2-O 3Å; Q22-R149 HydrophobicContact CG-CB 4.24Å; Q22-R149 HydrophobicContact CG-CG 3.95Å; Q22-R149 PolarHBondContact O-NH1 3.09Å; Q22-V152 HydrophobicContact CB-CG1 4.34Å; Q22-V152 HydrophobicContact CG-CG1 4.21Å; Q22-V152 HydrophobicContact CG-CG2 4.06Å
23L97.5Very high93.3Very high0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-60.5-50.3173.5177.169.7000111.2L19 T20 I21 K42 L53 I55 V152 D153 F156L19-L23 PolarHBondContact O-N 3.13Å; T20-L23 WeakPolarHBondContact O-CB 3.39Å; T20-L23 PolarHBondContact O-N 3.17Å; T20-L23 VanDerWaalsContact O-N 3.15Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.04Å; L23-K42 HydrophobicContact CG-CD 4.25Å; L23-K42 PolarHBondContact O-NZ 3.26Å; L23-L53 HydrophobicContact CD2-CD1 4.14Å; L23-I55 HydrophobicContact CD2-CD1 3.55Å; L23-V152 HydrophobicContact CB-CG1 3.98Å; L23-D153 WeakPolarHBondContact CD1-OD1 3.33Å; L23-F156 HydrophobicContact CB-CD2 4.31Å; L23-F156 HydrophobicContact CB-CE2 4.13Å; L23-F156 HydrophobicContact CD2-CB 4.03Å; L23-F156 HydrophobicContact CD2-CD1 3.9Å; L23-F156 HydrophobicContact CD2-CD2 3.6Å; L23-F156 HydrophobicContact CD2-CE1 4.22Å; L23-F156 HydrophobicContact CD2-CE2 3.94Å; L23-F156 HydrophobicContact CD2-CG 3.58Å; L23-F156 HydrophobicContact CD2-CZ 4.24Å; L23-F156 HydrophobicContact CG-CD2 4.35Å
24I96.2Very high92.9Very high39 Ų3958.8 Ų58.820%0.230%0.302CS..Hα-helixtrans-72.3-47.1-170.4-60.5-65.4000112.2T20 I21 Y40 K42 I55T20-I24 HydrophobicContact CG2-CG1 4.24Å; T20-I24 WeakPolarHBondContact O-CG1 3.4Å; T20-I24 PolarHBondContact O-N 3.01Å; I21-I24 PolarHBondContact O-N 3.02Å; I24-Y40 HydrophobicContact CG1-CD1 4.24Å; I24-Y40 HydrophobicContact CG1-CG 4.21Å; I24-Y40 HydrophobicContact CG2-CD1 4.48Å; I24-K42 HydrophobicContact CD1-CB 3.52Å; I24-K42 HydrophobicContact CD1-CD 4.21Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; I24-I55 HydrophobicContact CD1-CD1 4.15Å
25Q94Very high92.3Very high115 Ų11559.6 Ų59.654%0.53731%0.307SS..Hα-helixtrans-112.2-5.2-165.6-59.7-177.3-9.600113.9I21 H27I21-Q25 HydrophobicContact CG2-CB 4.38Å; I21-Q25 HydrophobicContact CG2-CG 4.5Å; I21-Q25 WeakPolarHBondContact O-CB 3.4Å; I21-Q25 PolarHBondContact O-N 3.41Å; Q25-H27 HydrophobicContact CB-CB 4.08Å; Q25-H27 PolarHBondContact O-N 3.34Å
26N94.5Very high91.7Very high109 Ų10963.2 Ų63.258%0.58332%0.322SS*.SBendtrans53.937.7-170.3-53.7-26.3000112.4Q22 R149Q22-N26 VanDerWaalsContact O-CA 3.31Å; Q22-N26 WeakPolarHBondContact O-CA 3.45Å; Q22-N26 PolarHBondContact O-N 3.02Å; Q22-N26 VanDerWaalsContact O-N 3.08Å; Q22-N26 VanDerWaalsContact OE1-CA 3.29Å; N26-R149 PolarHBondContact OD1-NH1 3.41Å; N26-R149 PolarHBondContact OD1-NH2 2.99Å
27H93.4Very high91.3Very high102 Ų10267 Ų6747%0.47234%0.34SS..  trans-130.4142.9-175.6-17357.5000110.5Q22 Q25Q22-H27 VanDerWaalsContact CA-O 3.28Å; Q22-H27 WeakPolarHBondContact CA-O 3.42Å; Q22-H27 PolarHBondContact N-O 3.31Å; Q25-H27 HydrophobicContact CB-CB 4.08Å; Q25-H27 PolarHBondContact O-N 3.34Å
28F91.7Very high91.2Very high60 Ų6069.1 Ų69.126%0.26335%0.349SS..  trans-112.7120.5174.1176.3-105.4000109.1A18 D30 A146 K147A18-F28 HydrophobicContact CB-CE2 4.27Å; F28-D30 HydrophobicContact CE1-CB 3.96Å; F28-A146 HydrophobicContact CD2-CB 4.14Å; F28-A146 WeakPolarHBondContact CD2-O 3.37Å; F28-A146 HydrophobicContact CE2-CB 4.13Å; F28-K147 HydrophobicContact CD1-CB 4.38Å; F28-K147 HydrophobicContact CD1-CG 4.12Å; F28-K147 HydrophobicContact CD2-CB 4.18Å; F28-K147 HydrophobicContact CE1-CB 4.18Å; F28-K147 HydrophobicContact CE1-CD 4.38Å; F28-K147 HydrophobicContact CE1-CG 3.98Å; F28-K147 HydrophobicContact CE2-CB 3.95Å; F28-K147 HydrophobicContact CG-CB 4.38Å; F28-K147 HydrophobicContact CZ-CB 3.96Å; F28-K147 HydrophobicContact CZ-CG 4.24Å
29V83.5Confident91Very high60 Ų6072 Ų7236%0.36437%0.368SS..  trans-96.3117.4174.5-176.20000107.7I21 E31I21-V29 HydrophobicContact CD1-CG2 4.36Å; I21-V29 HydrophobicContact CG2-CG2 4.24Å; V29-E31 HydrophobicContact CG1-CB 4.38Å
30D83.9Confident91Very high136 Ų13674.1 Ų74.173%0.72738%0.376SS*.  trans-81.8-26.5-178-159.533000112.2F28F28-D30 HydrophobicContact CE1-CB 3.96Å
31E86.9Confident91Very high169 Ų16981 Ų8179%0.7940%0.402SS*.SBendtrans-71.7136.6178.3-66.1175.4-171.300111.3V29V29-E31 HydrophobicContact CG1-CB 4.38Å
32Y80.7Confident91Very high134 Ų13482.1 Ų82.153%0.52541%0.406SS..  trans-94.4104.4175.7-178.9-111.7000110.6G13 P34 Q61G13-Y32 PolarHBondContact N-OH 2.97Å; G13-Y32 VanDerWaalsContact N-OH 3.16Å; Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CG 3.79Å; Y32-Q61 PolarHBondContact OH-NE2 3.37Å
33D85.4Confident91Very high136 Ų13687.5 Ų87.573%0.72743%0.431SS*.  trans-105.7117.5165.9-167.85.2000109.5T35D33-T35 PolarHBondContact O-N 2.88Å; D33-T35 VanDerWaalsContact O-N 3.12Å
34P87.6Confident91Very high62 Ų6288.1 Ų88.140%0.40344%0.435SS..  trans-60.1112.7179.1-23.733.2000113.2Y32Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CG 3.79Å
35T84.7Confident91.1Very high18 Ų1890.6 Ų90.611%0.1145%0.451CS..  trans-65.7140.2172.6-52.40000112.1S17 D33 D38 A59S17-T35 PolarHBondContact OG-OG1 3.08Å; D33-T35 PolarHBondContact O-N 2.88Å; D33-T35 VanDerWaalsContact O-N 3.12Å; T35-D38 HydrophobicContact CG2-CB 4.46Å; T35-A59 WeakPolarHBondContact O-CA 3.1Å; T35-A59 WeakPolarHBondContact O-CB 3.48Å
36I85.2Confident91.3Very high91 Ų9185.1 Ų85.147%0.46743%0.426SS..SBendtrans-94-64166.1-61.3176.8000108.6A59 Y64 M67I36-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 PolarHBondContact O-N 3.34Å; I36-Y64 HydrophobicContact CG1-CE1 4.39Å; I36-Y64 HydrophobicContact CG1-CE2 4.33Å; I36-Y64 HydrophobicContact CG2-CD1 4.5Å; I36-Y64 HydrophobicContact CG2-CE1 4.2Å; I36-M67 HydrophobicContact CG2-CE 4.12Å
37E88.6Confident91.4Very high90 Ų9085 Ų8542%0.42143%0.425SS..EExtended strand (participates in β ladder)trans-161.8128.4174.6-176.1179.7126.700108.5L56 D57E37-L56 HydrophobicContact CG-CD1 3.52Å; E37-L56 HydrophobicContact CG-CG 4.46Å; E37-D57 WeakPolarHBondContact CA-O 3.39Å
38D93.7Very high91.6Very high72 Ų7283.5 Ų83.539%0.38544%0.438SS..EExtended strand (participates in β ladder)trans-134.5138.7174.6-78.3-60.9000110.9T35 Y40 D57T35-D38 HydrophobicContact CG2-CB 4.46Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-Y40 VanDerWaalsContact CB-CE2 3.5Å; D38-D57 HydrophobicContact CB-CB 4.44Å; D38-D57 PolarHBondContact N-O 3.35Å; D38-D57 PolarHBondContact O-N 3.36Å
39S94.8Very high91.9Very high79 Ų7984.1 Ų84.155%0.55244%0.442SS*.EExtended strand (participates in β ladder)trans-111.9128.3178.5-178.80000110.9I55S39-I55 WeakPolarHBondContact CA-O 3.37Å
40Y96.8Very high92.6Very high46 Ų4684.1 Ų84.118%0.1844%0.442CS..EExtended strand (participates in β ladder)trans-125.5147.4179.8-59.6-90.3000111.1T20 I24 D38 I55 D57T20-Y40 HydrophobicContact CG2-CD2 3.36Å; T20-Y40 HydrophobicContact CG2-CE2 3.8Å; T20-Y40 HydrophobicContact CG2-CG 3.81Å; I24-Y40 HydrophobicContact CG1-CD1 4.24Å; I24-Y40 HydrophobicContact CG1-CG 4.21Å; I24-Y40 HydrophobicContact CG2-CD1 4.48Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-Y40 VanDerWaalsContact CB-CE2 3.5Å; Y40-I55 PolarHBondContact N-O 3.48Å; Y40-I55 PolarHBondContact O-N 3.17Å; Y40-D57 HydrophobicContact CE2-CB 4.15Å
41R97.3Very high93.2Very high144 Ų14477.6 Ų77.654%0.54341%0.407SS..EExtended strand (participates in β ladder)trans-129.5134.7177.2-70.9179.8172-159.5-10.7111.6E3 L52 L53 D54E3-R41 IonicContact OE1-NH2 2.82Å; R41-L52 HydrophobicContact CB-CD1 4.26Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.43Å; R41-D54 WeakPolarHBondContact CG-OD1 3.27Å; R41-D54 IonicContact CZ-OD1 3.61Å; R41-D54 IonicContact CZ-OD2 2.92Å; R41-D54 IonicContact NE-OD1 2.83Å; R41-D54 PolarHBondContact NE-OD1 2.68Å; R41-D54 IonicContact NE-OD2 3.48Å; R41-D54 IonicContact NH2-OD1 3.42Å; R41-D54 IonicContact NH2-OD2 3.66Å; R41-D54 PolarHBondContact NH2-OD2 2.95Å
42K97.1Very high93.8Very high49 Ų4971 Ų7121%0.21338%0.377CS..EExtended strand (participates in β ladder)trans-144127.7175.7-171.1-178.5-174.1-177.40111.5L23 I24 V44 L53L23-K42 HydrophobicContact CG-CD 4.25Å; L23-K42 PolarHBondContact O-NZ 3.26Å; I24-K42 HydrophobicContact CD1-CB 3.52Å; I24-K42 HydrophobicContact CD1-CD 4.21Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; K42-V44 HydrophobicContact CD-CG1 3.85Å; K42-V44 HydrophobicContact CG-CG1 3.86Å; K42-L53 PolarHBondContact N-O 3.18Å; K42-L53 PolarHBondContact O-N 3.44Å
43Q98Very high94.6Very high127 Ų12764.7 Ų64.759%0.59335%0.352SS*.EExtended strand (participates in β ladder)trans-80.7129.8169-178.2176.8-30.300109.5M1 T50 C51M1-Q43 HydrophobicContact SD-CG 3.79Å; Q43-T50 HydrophobicContact CG-CG2 3.81Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.31Å; Q43-C51 WeakPolarHBondContact CA-O 3.44Å
44V97.6Very high95.2Very high12 Ų1259 Ų597%0.07332%0.322CS..EExtended strand (participates in β ladder)trans-139.7165.6-179.7-62.50000110.4K42 I46 T50 C51 L53 Y157K42-V44 HydrophobicContact CD-CG1 3.85Å; K42-V44 HydrophobicContact CG-CG1 3.86Å; V44-I46 HydrophobicContact CG2-CD1 3.72Å; V44-I46 HydrophobicContact CG2-CG1 3.82Å; V44-T50 WeakPolarHBondContact O-CA 3.41Å; V44-C51 PolarHBondContact N-O 3.22Å; V44-C51 PolarHBondContact O-N 3.35Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.88Å; V44-L53 HydrophobicContact CG2-CD2 3.95Å; V44-L53 HydrophobicContact CG2-CG 3.76Å; V44-Y157 HydrophobicContact CB-CE1 4.2Å; V44-Y157 HydrophobicContact CG1-CE1 4.16Å; V44-Y157 HydrophobicContact CG2-CE1 4.08Å
45V98Very high95.7Very high91 Ų9156.1 Ų56.155%0.55230%0.303SS*.EExtended strand (participates in β ladder)trans-112.1116.4170.7-179.20000108
46I98Very high96.3Very high1 Ų156.4 Ų56.41%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-121.1117.5179.2-59.2168.8000107.9V44 G48 E49 L53 Y157 V160 R161 R164V44-I46 HydrophobicContact CG2-CD1 3.72Å; V44-I46 HydrophobicContact CG2-CG1 3.82Å; I46-G48 VanDerWaalsContact C-N 3.26Å; I46-G48 PolarHBondContact O-N 3.5Å; I46-E49 PolarHBondContact N-O 2.89Å; I46-E49 PolarHBondContact O-N 3.14Å; I46-L53 HydrophobicContact CD1-CD2 4.24Å; I46-Y157 HydrophobicContact CD1-CD1 3.37Å; I46-Y157 HydrophobicContact CD1-CE1 3.97Å; I46-Y157 HydrophobicContact CD1-CG 3.86Å; I46-Y157 HydrophobicContact CG1-CD1 3.65Å; I46-Y157 HydrophobicContact CG1-CD2 4.27Å; I46-Y157 HydrophobicContact CG1-CE1 4.02Å; I46-Y157 HydrophobicContact CG1-CG 3.8Å; I46-V160 HydrophobicContact CD1-CB 3.8Å; I46-V160 HydrophobicContact CD1-CG1 3.88Å; I46-V160 HydrophobicContact CD1-CG2 3.71Å; I46-R161 HydrophobicContact CG2-CG 4.48Å; I46-R164 PolarHBondContact O-NH1 2.79Å; I46-R164 PolarHBondContact O-NH2 3.38Å
47D97.4Very high96.8Very high105 Ų10552 Ų5256%0.56128%0.281SS*.THydrogen-bonded Turntrans56.239.5-178.1-47.5-34000112.5E49 R161 R164D47-E49 VanDerWaalsContact C-N 3.27Å; D47-E49 PolarHBondContact O-N 3.2Å; D47-R161 IonicContact OD1-CZ 3.74Å; D47-R161 IonicContact OD1-NE 3.14Å; D47-R161 PolarHBondContact OD1-NE 3.29Å; D47-R161 VanDerWaalsContact OD1-NE 3.14Å; D47-R161 IonicContact OD1-NH2 3.85Å; D47-R161 PolarHBondContact OD1-NH2 3.18Å; D47-R161 WeakPolarHBondContact OD2-CG 3.41Å; D47-R161 IonicContact OD2-CZ 3.35Å; D47-R161 IonicContact OD2-NE 2.89Å; D47-R161 PolarHBondContact OD2-NE 3.02Å; D47-R161 IonicContact OD2-NH2 3.01Å; D47-R164 IonicContact OD2-NH1 2.99Å
48G97.1Very high97.1Very high72 Ų7247.8 Ų47.874%0.74226%0.262SS*.THydrogen-bonded Turntrans80.5-5.7179.900000115.4I46I46-G48 VanDerWaalsContact C-N 3.26Å; I46-G48 PolarHBondContact O-N 3.5Å
49E97Very high97Very high73 Ų7344.6 Ų44.634%0.34125%0.245SC..EExtended strand (participates in β ladder)trans-101.1123.2177-177.9-167.9135.600110.8T2 Y4 I46 D47 R164T2-E49 PolarHBondContact OG1-OE1 2.91Å; Y4-E49 PolarHBondContact OH-OE1 3.29Å; I46-E49 PolarHBondContact N-O 2.89Å; I46-E49 PolarHBondContact O-N 3.14Å; D47-E49 VanDerWaalsContact C-N 3.27Å; D47-E49 PolarHBondContact O-N 3.2Å; E49-R164 IonicContact OE1-NH2 2.79Å; E49-R164 PolarHBondContact OE1-NH2 3.4Å; E49-R164 IonicContact OE2-CZ 3.93Å; E49-R164 IonicContact OE2-NE 3.59Å; E49-R164 IonicContact OE2-NH2 3.73Å; E49-R164 PolarHBondContact OE2-NH2 2.68Å
50T97.9Very high96.5Very high59 Ų5941.3 Ų41.336%0.36222%0.224SC..EExtended strand (participates in β ladder)trans-71125.6171.4-53.50000110.7M1 Q43 V44M1-T50 HydrophobicContact CG-CG2 4.4Å; M1-T50 HydrophobicContact SD-CG2 3.89Å; Q43-T50 HydrophobicContact CG-CG2 3.81Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.31Å; V44-T50 WeakPolarHBondContact O-CA 3.41Å
51C98.1Very high95.9Very high0 Ų042.1 Ų42.10%023%0.229CC..EExtended strand (participates in β ladder)trans-139.1159.6177.2620000112.6T2 Y4 Q43 V44T2-C51 CarbonylContact O-C 3.58Å; T2-C51 VanDerWaalsContact O-CA 3.27Å; T2-C51 WeakPolarHBondContact O-CA 3.09Å; T2-C51 VanDerWaalsContact O-CB 3.28Å; T2-C51 WeakPolarHBondContact O-CB 3.35Å; Y4-C51 HydrophobicContact CD2-CB 3.76Å; Y4-C51 HydrophobicContact CE2-CB 3.55Å; Q43-C51 WeakPolarHBondContact CA-O 3.44Å; V44-C51 PolarHBondContact N-O 3.22Å; V44-C51 PolarHBondContact O-N 3.35Å
52L98.4Very high95.2Very high31 Ų3142.1 Ų42.116%0.16224%0.235CC..EExtended strand (participates in β ladder)trans-100.6123.1171.8-175.667.2000109.1M1 T2 E3 Y4 R41M1-L52 HydrophobicContact CE-CB 3.88Å; M1-L52 HydrophobicContact SD-CB 4.15Å; T2-L52 PolarHBondContact O-N 3.06Å; E3-L52 CarbonylContact C-O 3.59Å; E3-L52 WeakPolarHBondContact CA-O 3.38Å; E3-L52 HydrophobicContact CB-CB 4.5Å; E3-L52 HydrophobicContact CG-CB 4.43Å; E3-L52 HydrophobicContact CG-CD2 4.22Å; E3-L52 HydrophobicContact CG-CG 4.5Å; Y4-L52 PolarHBondContact N-O 3.09Å; R41-L52 HydrophobicContact CB-CD1 4.26Å
53L98.4Very high94.6Very high0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-86.6122.7167.8-48-174.2000107.8L6 L23 R41 K42 V44 I46 I55 Y157 V160L6-L53 HydrophobicContact CD1-CB 4.4Å; L6-L53 HydrophobicContact CD1-CD1 4.44Å; L6-L53 HydrophobicContact CD1-CD2 4.24Å; L23-L53 HydrophobicContact CD2-CD1 4.14Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.43Å; K42-L53 PolarHBondContact N-O 3.18Å; K42-L53 PolarHBondContact O-N 3.44Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.88Å; V44-L53 HydrophobicContact CG2-CD2 3.95Å; V44-L53 HydrophobicContact CG2-CG 3.76Å; I46-L53 HydrophobicContact CD1-CD2 4.24Å; L53-I55 HydrophobicContact CB-CD1 4.18Å; L53-I55 HydrophobicContact CB-CG1 3.99Å; L53-I55 HydrophobicContact CD1-CD1 4.49Å; L53-Y157 HydrophobicContact CD1-CE1 4.41Å; L53-V160 HydrophobicContact CD2-CG2 3.59Å
54D98.2Very high93.9Very high18 Ų1845.1 Ų45.110%0.09625%0.247CC..EExtended strand (participates in β ladder)trans-106.996.8170.4-166.622.4000106.8E3 Y4 K5 L6 R41E3-D54 HydrophobicContact CG-CB 4.09Å; Y4-D54 PolarHBondContact O-N 3.44Å; K5-D54 CarbonylContact C-O 3.55Å; K5-D54 WeakPolarHBondContact CA-O 3.28Å; K5-D54 HydrophobicContact CG-CB 4.36Å; K5-D54 IonicContact NZ-OD2 4Å; K5-D54 PolarHBondContact NZ-OD2 2.69Å; L6-D54 PolarHBondContact N-O 3.01Å; R41-D54 WeakPolarHBondContact CG-OD1 3.27Å; R41-D54 IonicContact CZ-OD1 3.61Å; R41-D54 IonicContact CZ-OD2 2.92Å; R41-D54 IonicContact NE-OD1 2.83Å; R41-D54 PolarHBondContact NE-OD1 2.68Å; R41-D54 IonicContact NE-OD2 3.48Å; R41-D54 IonicContact NH2-OD1 3.42Å; R41-D54 IonicContact NH2-OD2 3.66Å; R41-D54 PolarHBondContact NH2-OD2 2.95Å
55I98.3Very high93.2Very high0 Ų047.4 Ų47.40%026%0.263CS..EExtended strand (participates in β ladder)trans-101.2124.6-169.1-54.1174.9000108.9L6 V8 T20 L23 I24 S39 Y40 L53 F156L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.39Å; L6-I55 CarbonylContact O-C 3.55Å; L6-I55 WeakPolarHBondContact O-CA 3.44Å; V8-I55 HydrophobicContact CG2-CG2 3.89Å; T20-I55 HydrophobicContact CG2-CB 4.46Å; T20-I55 HydrophobicContact CG2-CG2 3.84Å; L23-I55 HydrophobicContact CD2-CD1 3.55Å; I24-I55 HydrophobicContact CD1-CD1 4.15Å; S39-I55 WeakPolarHBondContact CA-O 3.37Å; Y40-I55 PolarHBondContact N-O 3.48Å; Y40-I55 PolarHBondContact O-N 3.17Å; L53-I55 HydrophobicContact CB-CD1 4.18Å; L53-I55 HydrophobicContact CB-CG1 3.99Å; L53-I55 HydrophobicContact CD1-CD1 4.49Å; I55-F156 HydrophobicContact CD1-CD1 3.92Å; I55-F156 HydrophobicContact CD1-CE1 3.75Å; I55-F156 HydrophobicContact CD1-CZ 4.5Å; I55-F156 HydrophobicContact CG1-CE1 4.37Å; I55-F156 HydrophobicContact CG2-CE1 3.98Å
56L97.5Very high92.6Very high24 Ų2447.6 Ų47.613%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-104.5110.7172.3-171.158.6000109.2L6 V7 V8 E37 T58L6-L56 PolarHBondContact O-N 3.46Å; V7-L56 HydrophobicContact CG2-CB 4.29Å; V7-L56 HydrophobicContact CG2-CD2 4.48Å; V8-L56 PolarHBondContact N-O 2.94Å; E37-L56 HydrophobicContact CG-CD1 3.52Å; E37-L56 HydrophobicContact CG-CG 4.46Å; L56-T58 HydrophobicContact CG-CG2 4.34Å
57D95.4Very high91.9Very high0 Ų050.7 Ų50.70%029%0.29CS..EExtended strand (participates in β ladder)trans-89.1130.3170.8-175.133.3000109.4K16 S17 E37 D38 Y40K16-D57 VanDerWaalsContact CB-OD1 3.24Å; K16-D57 WeakPolarHBondContact CB-OD1 3.49Å; S17-D57 WeakPolarHBondContact CA-OD2 3.49Å; S17-D57 WeakPolarHBondContact CB-OD2 3.49Å; S17-D57 PolarHBondContact N-OD1 2.96Å; S17-D57 PolarHBondContact N-OD2 3.09Å; S17-D57 PolarHBondContact OG-OD2 3.45Å; E37-D57 WeakPolarHBondContact CA-O 3.39Å; D38-D57 HydrophobicContact CB-CB 4.44Å; D38-D57 PolarHBondContact N-O 3.35Å; D38-D57 PolarHBondContact O-N 3.36Å; Y40-D57 HydrophobicContact CE2-CB 4.15Å
58T94Very high91.5Very high1 Ų147 Ų471%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-117157.1-168.978.30000112.1V7 V8 K16 L56 G60 Y71V7-T58 HydrophobicContact CG1-CG2 3.72Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.09Å; K16-T58 WeakPolarHBondContact CE-O 3.45Å; K16-T58 PolarHBondContact NZ-O 3.02Å; L56-T58 HydrophobicContact CG-CG2 4.34Å; T58-G60 PolarHBondContact O-N 2.95Å; T58-Y71 HydrophobicContact CG2-CD1 3.81Å; T58-Y71 HydrophobicContact CG2-CD2 4.01Å; T58-Y71 HydrophobicContact CG2-CE1 3.75Å; T58-Y71 HydrophobicContact CG2-CE2 4.01Å; T58-Y71 HydrophobicContact CG2-CG 3.92Å
59A90.9Very high91.3Very high5 Ų546 Ų464%0.04125%0.246CC..  trans-54.1141.2163.300000111.7T35 I36 Y64T35-A59 WeakPolarHBondContact O-CA 3.1Å; T35-A59 WeakPolarHBondContact O-CB 3.48Å; I36-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 PolarHBondContact O-N 3.34Å; A59-Y64 HydrophobicContact CB-CD2 3.59Å; A59-Y64 HydrophobicContact CB-CE2 4.5Å; A59-Y64 HydrophobicContact CB-CG 3.87Å
60G84.6Confident91Very high10 Ų1048.6 Ų48.610%0.10326%0.258CS..  trans-99.5-7169.700000114.2G10 G12 K16 T58G10-G60 VanDerWaalsContact O-CA 3.23Å; G10-G60 WeakPolarHBondContact O-CA 3.48Å; G12-G60 PolarHBondContact N-O 3.24Å; G12-G60 VanDerWaalsContact N-O 3.13Å; K16-G60 VanDerWaalsContact NZ-CA 3.26Å; T58-G60 PolarHBondContact O-N 2.95Å
61Q84.2Confident90.7Very high63 Ų6346.2 Ų46.229%0.29424%0.242SC..SBendtrans-82.3151.9-174.2-47.7-67.321.900111.2Y32 E63 Y64Y32-Q61 PolarHBondContact OH-NE2 3.37Å; Q61-E63 VanDerWaalsContact C-N 3.33Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.31Å; Q61-Y64 HydrophobicContact CB-CD2 4.21Å; Q61-Y64 PolarHBondContact O-N 2.68Å
62E82.3Confident90.5Very high143 Ų14346.2 Ų46.267%0.66824%0.242SC*.G310 helixtrans-72.9-26.9-175.5-69.5-165.3155.900112.7Y64 S65E62-Y64 PolarHBondContact O-N 3.13Å; E62-Y64 VanDerWaalsContact O-N 3.15Å; E62-S65 WeakPolarHBondContact O-CB 3.4Å; E62-S65 PolarHBondContact O-N 3.07Å; E62-S65 PolarHBondContact O-OG 3.29Å
63E85.3Confident90.3Very high153 Ų15352.2 Ų52.272%0.71526%0.263SS*.G310 helixtrans-59.8-27.1178.3-59.982.8175.700111.8Q61Q61-E63 VanDerWaalsContact C-N 3.33Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.31Å
64Y83.7Confident90.1Very high87 Ų8756 Ų5634%0.34129%0.286SS..G310 helixtrans-97.312.7177.7-59.8-65.3000113.2I36 A59 Q61 E62 A66 M67I36-Y64 HydrophobicContact CG1-CE1 4.39Å; I36-Y64 HydrophobicContact CG1-CE2 4.33Å; I36-Y64 HydrophobicContact CG2-CD1 4.5Å; I36-Y64 HydrophobicContact CG2-CE1 4.2Å; A59-Y64 HydrophobicContact CB-CD2 3.59Å; A59-Y64 HydrophobicContact CB-CE2 4.5Å; A59-Y64 HydrophobicContact CB-CG 3.87Å; Q61-Y64 HydrophobicContact CB-CD2 4.21Å; Q61-Y64 PolarHBondContact O-N 2.68Å; E62-Y64 PolarHBondContact O-N 3.13Å; E62-Y64 VanDerWaalsContact O-N 3.15Å; Y64-A66 PolarHBondContact O-N 3.48Å; Y64-M67 HydrophobicContact CD1-CE 3.28Å; Y64-M67 HydrophobicContact CE1-CE 4.19Å; Y64-M67 HydrophobicContact CG-CE 3.81Å; Y64-M67 PolarHBondContact O-N 2.96Å; Y64-M67 VanDerWaalsContact O-N 3.09Å
65S82.4Confident90Very high59 Ų5955.2 Ų55.241%0.41328%0.282SS..G310 helixtrans-58.5-28.8-179.157.40000114E62 M67 R68E62-S65 WeakPolarHBondContact O-CB 3.4Å; E62-S65 PolarHBondContact O-N 3.07Å; E62-S65 PolarHBondContact O-OG 3.29Å; S65-M67 VanDerWaalsContact C-N 3.26Å; S65-M67 PolarHBondContact O-N 3.4Å; S65-R68 WeakPolarHBondContact O-CB 3.42Å; S65-R68 VanDerWaalsContact O-CG 3.24Å; S65-R68 WeakPolarHBondContact O-CG 3.47Å; S65-R68 PolarHBondContact O-N 3.43Å
66A84.9Confident90Very high95 Ų9557.8 Ų57.879%0.78529%0.294SS*.G310 helixtrans-66.3-24.8177.900000113.5Y64 R68Y64-A66 PolarHBondContact O-N 3.48Å; A66-R68 VanDerWaalsContact C-N 3.35Å
67M84.8Confident90.1Very high66 Ų6656.7 Ų56.733%0.32529%0.288SS..G310 helixtrans-84.9-10.3179.7-64.1-171.2-63.800112.9I36 Y64 S65 D69 Q70 Y71I36-M67 HydrophobicContact CG2-CE 4.12Å; Y64-M67 HydrophobicContact CD1-CE 3.28Å; Y64-M67 HydrophobicContact CE1-CE 4.19Å; Y64-M67 HydrophobicContact CG-CE 3.81Å; Y64-M67 PolarHBondContact O-N 2.96Å; Y64-M67 VanDerWaalsContact O-N 3.09Å; S65-M67 VanDerWaalsContact C-N 3.26Å; S65-M67 PolarHBondContact O-N 3.4Å; M67-D69 PolarHBondContact O-N 2.65Å; M67-Q70 WeakPolarHBondContact O-CB 3.26Å; M67-Q70 PolarHBondContact O-N 3.28Å; M67-Q70 VanDerWaalsContact O-N 3.14Å; M67-Y71 WeakPolarHBondContact O-CD1 2.96Å
68R88.4Confident90.2Very high27 Ų2756.7 Ų56.710%0.10229%0.288CS..Hα-helixtrans-61.5-42.1-172.3-58.4-167.9175.7165.82.8114S65 A66 Q70 Y71 M72 Y96 Q99S65-R68 WeakPolarHBondContact O-CB 3.42Å; S65-R68 VanDerWaalsContact O-CG 3.24Å; S65-R68 WeakPolarHBondContact O-CG 3.47Å; S65-R68 PolarHBondContact O-N 3.43Å; A66-R68 VanDerWaalsContact C-N 3.35Å; R68-Q70 PolarHBondContact O-N 2.95Å; R68-Y71 HydrophobicContact CB-CE1 4.05Å; R68-Y71 HydrophobicContact CB-CE2 4.14Å; R68-Y71 HydrophobicContact CG-CE1 3.97Å; R68-Y71 WeakPolarHBondContact CG-OH 3.45Å; R68-Y71 VanDerWaalsContact O-CD2 3.24Å; R68-Y71 WeakPolarHBondContact O-CD2 3.06Å; R68-Y71 WeakPolarHBondContact O-CE2 3.27Å; R68-Y71 PolarHBondContact O-N 3.25Å; R68-M72 HydrophobicContact CB-CE 4.16Å; R68-M72 WeakPolarHBondContact O-CB 3.46Å; R68-M72 WeakPolarHBondContact O-CG 3.46Å; R68-M72 PolarHBondContact O-N 2.77Å; R68-Y96 PolarHBondContact NH2-OH 3.44Å; R68-Y96 VanDerWaalsContact NH2-OH 3.16Å; R68-Q99 VanDerWaalsContact CD-OE1 3.24Å
69D92.6Very high90.4Very high52 Ų5256.6 Ų56.628%0.27829%0.288SS..Hα-helixtrans-64.2-28.2-178.8-7416.2000112M67 R73 Q99 R102 V103M67-D69 PolarHBondContact O-N 2.65Å; D69-R73 WeakPolarHBondContact O-CB 3.45Å; D69-R73 PolarHBondContact O-N 3.1Å; D69-R73 VanDerWaalsContact O-N 3.15Å; D69-Q99 PolarHBondContact OD1-NE2 2.93Å; D69-R102 IonicContact OD1-NH2 2.65Å; D69-R102 PolarHBondContact OD1-NH2 2.78Å; D69-R102 IonicContact OD2-NH2 3.54Å; D69-V103 HydrophobicContact CB-CG2 3.92Å; D69-V103 VanDerWaalsContact CG-CG2 3.47Å; D69-V103 WeakPolarHBondContact O-CG1 3.39Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.45Å
70Q91.2Very high90.8Very high127 Ų12756.4 Ų56.459%0.59329%0.286SS*.Hα-helixtrans-68.2-54.8178.4178.6174.6-44.900111.4M67 R68 M72 R73 T74M67-Q70 WeakPolarHBondContact O-CB 3.26Å; M67-Q70 PolarHBondContact O-N 3.28Å; M67-Q70 VanDerWaalsContact O-N 3.14Å; R68-Q70 PolarHBondContact O-N 2.95Å; Q70-M72 VanDerWaalsContact C-N 3.31Å; Q70-M72 PolarHBondContact O-N 3.35Å; Q70-R73 PolarHBondContact O-N 2.95Å; Q70-T74 PolarHBondContact O-N 3.01Å
71Y90.8Very high91.5Very high10 Ų1056 Ų564%0.03928%0.281CS..Hα-helixtrans-68.8-31.5-179.760.2-121.6000112.2V7 V9 T58 M67 R68 R73 T74 G75V7-Y71 HydrophobicContact CG1-CD2 3.75Å; V7-Y71 HydrophobicContact CG1-CE2 4.26Å; V7-Y71 HydrophobicContact CG1-CG 4.41Å; V9-Y71 HydrophobicContact CG1-CE2 3.78Å; T58-Y71 HydrophobicContact CG2-CD1 3.81Å; T58-Y71 HydrophobicContact CG2-CD2 4.01Å; T58-Y71 HydrophobicContact CG2-CE1 3.75Å; T58-Y71 HydrophobicContact CG2-CE2 4.01Å; T58-Y71 HydrophobicContact CG2-CG 3.92Å; M67-Y71 WeakPolarHBondContact O-CD1 2.96Å; R68-Y71 HydrophobicContact CB-CE1 4.05Å; R68-Y71 HydrophobicContact CB-CE2 4.14Å; R68-Y71 HydrophobicContact CG-CE1 3.97Å; R68-Y71 WeakPolarHBondContact CG-OH 3.45Å; R68-Y71 VanDerWaalsContact O-CD2 3.24Å; R68-Y71 WeakPolarHBondContact O-CD2 3.06Å; R68-Y71 WeakPolarHBondContact O-CE2 3.27Å; R68-Y71 PolarHBondContact O-N 3.25Å; Y71-R73 VanDerWaalsContact C-N 3.28Å; Y71-R73 PolarHBondContact O-N 2.93Å; Y71-T74 PolarHBondContact O-N 2.9Å; Y71-T74 PolarHBondContact O-OG1 2.96Å; Y71-T74 VanDerWaalsContact O-OG1 3.09Å; Y71-G75 PolarHBondContact O-N 3.16Å; Y71-G75 VanDerWaalsContact O-N 3.12Å
72M93.7Very high92.2Very high0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-67.5-31.6176.4-72.4178.9-175.900111.8V9 R68 Q70 F78 Y96 Q99 I100 V103 K104V9-M72 HydrophobicContact CG1-CE 4.49Å; R68-M72 HydrophobicContact CB-CE 4.16Å; R68-M72 WeakPolarHBondContact O-CB 3.46Å; R68-M72 WeakPolarHBondContact O-CG 3.46Å; R68-M72 PolarHBondContact O-N 2.77Å; Q70-M72 VanDerWaalsContact C-N 3.31Å; Q70-M72 PolarHBondContact O-N 3.35Å; M72-F78 HydrophobicContact CB-CE1 4.3Å; M72-F78 HydrophobicContact CG-CE1 4.16Å; M72-F78 WeakPolarHBondContact O-CZ 3.46Å; M72-Y96 HydrophobicContact CE-CD1 4.25Å; M72-Q99 HydrophobicContact CE-CB 4.07Å; M72-Q99 HydrophobicContact CE-CG 3.99Å; M72-Q99 HydrophobicContact SD-CB 3.95Å; M72-Q99 HydrophobicContact SD-CG 3.55Å; M72-Q99 VanDerWaalsContact SD-CG 3.55Å; M72-I100 HydrophobicContact CE-CG1 3.8Å; M72-I100 HydrophobicContact CG-CG1 3.92Å; M72-I100 HydrophobicContact SD-CB 4.36Å; M72-I100 HydrophobicContact SD-CG1 3.65Å; M72-V103 HydrophobicContact CB-CB 3.99Å; M72-V103 HydrophobicContact CB-CG1 3.72Å; M72-V103 HydrophobicContact CB-CG2 4.31Å; M72-V103 HydrophobicContact SD-CG2 4.39Å; M72-K104 WeakPolarHBondContact O-CD 3.39Å
73R95.4Very high93Very high157 Ų15746.2 Ų46.259%0.59224%0.236SC*.Hα-helixtrans-66.6-43.1178-167.2174.5-62.11316111.8D69 Q70 Y71 V103 K104D69-R73 WeakPolarHBondContact O-CB 3.45Å; D69-R73 PolarHBondContact O-N 3.1Å; D69-R73 VanDerWaalsContact O-N 3.15Å; Q70-R73 PolarHBondContact O-N 2.95Å; Y71-R73 VanDerWaalsContact C-N 3.28Å; Y71-R73 PolarHBondContact O-N 2.93Å; R73-V103 HydrophobicContact CB-CG1 3.95Å; R73-K104 PolarHBondContact O-NZ 3.29Å
74T93Very high93.6Very high80 Ų8039 Ų3949%0.49120%0.202SC..Hα-helixtrans-79.2-26.1-175.457.90000113.6Q70 Y71Q70-T74 PolarHBondContact O-N 3.01Å; Y71-T74 PolarHBondContact O-N 2.9Å; Y71-T74 PolarHBondContact O-OG1 2.96Å; Y71-T74 VanDerWaalsContact O-OG1 3.09Å
75G97Very high94.3Very high0 Ų037 Ų370%020%0.197CC..  trans-63.2134.9177.900000114Y71 K104Y71-G75 PolarHBondContact O-N 3.16Å; Y71-G75 VanDerWaalsContact O-N 3.12Å; G75-K104 PolarHBondContact O-NZ 3Å
76E98Very high95Very high55 Ų5537.2 Ų37.226%0.25719%0.194SC..SBendtrans-90-26.7171.1-68.9-179.810000112.2Y4 K5 I163 K167Y4-E76 WeakPolarHBondContact CA-OE2 3.49Å; K5-E76 HydrophobicContact CB-CB 4.49Å; K5-E76 HydrophobicContact CB-CG 4.18Å; K5-E76 PolarHBondContact N-OE2 2.84Å; K5-E76 PolarHBondContact O-N 3.13Å; E76-I163 HydrophobicContact CB-CD1 4.11Å; E76-I163 HydrophobicContact CB-CG2 4.33Å; E76-K167 WeakPolarHBondContact OE1-CE 3.24Å; E76-K167 IonicContact OE1-NZ 2.68Å; E76-K167 PolarHBondContact OE1-NZ 3.11Å
77G98.6Very high95.7Very high0 Ų035.4 Ų35.40%017%0.173CC..EExtended strand (participates in β ladder)trans-154.7159.2172.400000112.4K5 L6 V7 P110K5-G77 PolarHBondContact O-N 3.12Å; L6-G77 WeakPolarHBondContact CA-O 3.43Å; V7-G77 PolarHBondContact N-O 2.88Å; G77-P110 CarbonylContact C-O 3.57Å; G77-P110 WeakPolarHBondContact CA-O 3.42Å
78F98.7Very high96.3Very high0 Ų037.1 Ų37.10%018%0.179CC..EExtended strand (participates in β ladder)trans-127.4130.1-169.5-56.4-92000112.5V7 V9 M72 I100 K104 V109 P110 M111 V112V7-F78 HydrophobicContact CB-CD1 3.7Å; V7-F78 HydrophobicContact CB-CE1 3.77Å; V7-F78 HydrophobicContact CG1-CD1 4.25Å; V7-F78 HydrophobicContact CG1-CE1 4.28Å; V7-F78 HydrophobicContact CG2-CD1 4.35Å; V7-F78 HydrophobicContact CG2-CE1 3.92Å; V7-F78 CarbonylContact O-C 3.31Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.47Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; M72-F78 HydrophobicContact CB-CE1 4.3Å; M72-F78 HydrophobicContact CG-CE1 4.16Å; M72-F78 WeakPolarHBondContact O-CZ 3.46Å; F78-I100 HydrophobicContact CB-CD1 3.8Å; F78-I100 HydrophobicContact CD1-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CG1 3.99Å; F78-I100 HydrophobicContact CD1-CG2 4.46Å; F78-I100 HydrophobicContact CD2-CD1 4.23Å; F78-I100 HydrophobicContact CD2-CG2 3.63Å; F78-I100 HydrophobicContact CE1-CD1 4.45Å; F78-I100 HydrophobicContact CE1-CG1 4.24Å; F78-I100 HydrophobicContact CE1-CG2 4.4Å; F78-I100 HydrophobicContact CE2-CG2 3.55Å; F78-I100 HydrophobicContact CG-CD1 3.62Å; F78-I100 HydrophobicContact CG-CG1 4.18Å; F78-I100 HydrophobicContact CG-CG2 4.13Å; F78-I100 HydrophobicContact CZ-CG2 3.98Å; F78-K104 HydrophobicContact CE2-CD 4.3Å; F78-K104 HydrophobicContact CE2-CG 4.35Å; F78-K104 HydrophobicContact CZ-CD 4.25Å; F78-V109 HydrophobicContact CD2-CG1 3.75Å; F78-V109 HydrophobicContact CE2-CG1 3.67Å; F78-P110 PolarHBondContact N-O 2.89Å; F78-M111 HydrophobicContact CB-CG 4.19Å; F78-M111 CarbonylContact O-C 3.51Å; F78-M111 WeakPolarHBondContact O-CA 3.31Å; F78-V112 PolarHBondContact O-N 2.91Å
79L98.8Very high96.8Very high0 Ų035.9 Ų35.90%017%0.174CC..EExtended strand (participates in β ladder)trans-88.3117.9160.9-67.5-172000108.3V7 V8 V9 V81 V112 V114 A155 F156 L159V7-L79 PolarHBondContact O-N 3.36Å; V8-L79 HydrophobicContact CG1-CB 4.28Å; V8-L79 HydrophobicContact CG2-CD1 4.49Å; V9-L79 WeakPolarHBondContact CG2-O 3.47Å; V9-L79 PolarHBondContact N-O 3.3Å; L79-V81 HydrophobicContact CB-CG2 4.19Å; L79-V112 HydrophobicContact CD2-CB 3.73Å; L79-V112 HydrophobicContact CD2-CG1 4.28Å; L79-V112 HydrophobicContact CD2-CG2 4.38Å; L79-V114 HydrophobicContact CB-CG2 4.39Å; L79-V114 HydrophobicContact CD2-CG2 4.01Å; L79-A155 HydrophobicContact CD1-CB 4.39Å; L79-A155 HydrophobicContact CD2-CB 4.46Å; L79-F156 HydrophobicContact CD1-CD1 3.68Å; L79-F156 HydrophobicContact CD1-CD2 4.07Å; L79-F156 HydrophobicContact CD1-CE1 3.54Å; L79-F156 HydrophobicContact CD1-CE2 3.95Å; L79-F156 HydrophobicContact CD1-CG 3.95Å; L79-F156 HydrophobicContact CD1-CZ 3.69Å; L79-L159 HydrophobicContact CD2-CB 3.95Å; L79-L159 HydrophobicContact CD2-CD2 3.81Å; L79-L159 HydrophobicContact CD2-CG 4.4Å; L79-L159 HydrophobicContact CG-CD2 3.84Å
80C98.6Very high97.1Very high1 Ų134.8 Ų34.81%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-96.798.2176.3-64.20000108.6I93 V112 L113 V114C80-I93 HydrophobicContact CB-CD1 4.2Å; C80-I93 HydrophobicContact CB-CG2 4.38Å; C80-V112 PolarHBondContact N-O 2.98Å; C80-L113 HydrophobicContact CB-CD1 4.39Å; C80-V114 PolarHBondContact O-N 3.35Å
81V98.8Very high97.4Very high0 Ų034.2 Ų34.20%016%0.164CC..EExtended strand (participates in β ladder)trans-99.5128.5-169.8-168.50000111V8 V9 G10 V14 K16 L19 L79 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.59Å; V9-V81 PolarHBondContact O-N 2.94Å; G10-V81 WeakPolarHBondContact CA-O 3.34Å; V14-V81 HydrophobicContact CB-CG1 4.34Å; V14-V81 HydrophobicContact CG2-CB 4.02Å; V14-V81 HydrophobicContact CG2-CG1 3.84Å; K16-V81 HydrophobicContact CG-CB 4.28Å; K16-V81 HydrophobicContact CG-CG2 4.41Å; L19-V81 HydrophobicContact CD1-CG1 3.88Å; L19-V81 HydrophobicContact CD1-CG2 4.2Å; L79-V81 HydrophobicContact CB-CG2 4.19Å; V81-V114 WeakPolarHBondContact CA-O 3.49Å; V81-V114 HydrophobicContact CB-CB 4.48Å; V81-V114 HydrophobicContact CG1-CB 4.42Å; V81-V114 HydrophobicContact CG1-CG1 4.27Å; V81-V114 HydrophobicContact CG2-CB 4.15Å; V81-V114 HydrophobicContact CG2-CG1 4.49Å; V81-N116 HydrophobicContact CG1-CB 3.94Å
82F98.8Very high97.7Very high1 Ų135 Ų350%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-122.6167.2163.973.2-82.4000109.5I84 S89 F90 I93 L113 V114 G115 N116 V125 A130 F141F82-I84 HydrophobicContact CE2-CG2 4.08Å; F82-I84 HydrophobicContact CZ-CG2 4.5Å; F82-S89 WeakPolarHBondContact CB-O 3.21Å; F82-F90 HydrophobicContact CB-CB 4.33Å; F82-F90 AromaticContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD2-CB 3.72Å; F82-F90 AromaticContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CG 4.19Å; F82-F90 AromaticContact CE1-CD2 3.76Å; F82-F90 HydrophobicContact CE1-CD2 3.76Å; F82-F90 HydrophobicContact CE1-CE2 4.14Å; F82-F90 HydrophobicContact CE2-CB 4.23Å; F82-F90 AromaticContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CE2 4.47Å; F82-F90 HydrophobicContact CE2-CG 4.28Å; F82-F90 HydrophobicContact CG-CB 4.07Å; F82-F90 AromaticContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CG 4.49Å; F82-F90 AromaticContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CE2 4.08Å; F82-I93 HydrophobicContact CB-CD1 4.08Å; F82-I93 HydrophobicContact CB-CG1 4.07Å; F82-I93 HydrophobicContact CD1-CG1 4.33Å; F82-L113 HydrophobicContact CD1-CD1 3.91Å; F82-L113 HydrophobicContact CD1-CG 4.38Å; F82-L113 HydrophobicContact CE1-CD1 4.03Å; F82-L113 HydrophobicContact CE1-CD2 4.28Å; F82-L113 HydrophobicContact CE1-CG 4Å; F82-V114 WeakPolarHBondContact CD1-O 3.42Å; F82-V114 PolarHBondContact N-O 2.84Å; F82-G115 VanDerWaalsContact CE1-CA 3.42Å; F82-G115 VanDerWaalsContact CZ-CA 3.47Å; F82-N116 PolarHBondContact O-N 3.43Å; F82-V125 HydrophobicContact CE2-CB 4.07Å; F82-V125 HydrophobicContact CE2-CG1 3.85Å; F82-V125 HydrophobicContact CE2-CG2 4.33Å; F82-V125 HydrophobicContact CZ-CG1 4.33Å; F82-A130 HydrophobicContact CE1-CB 4.25Å; F82-A130 HydrophobicContact CZ-CB 3.74Å; F82-F141 AromaticContact CE1-CE2 3.94Å; F82-F141 HydrophobicContact CE1-CE2 3.94Å; F82-F141 HydrophobicContact CZ-CE2 4.05Å
83A98.7Very high97.9Very high1 Ų135 Ų351%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-103.9132.1171.500000110.2V14 N85 N86 S89 N116 K117V14-A83 HydrophobicContact CB-CB 4.27Å; V14-A83 HydrophobicContact CG1-CB 4.37Å; A83-N85 WeakPolarHBondContact CB-OD1 3.21Å; A83-N85 PolarHBondContact O-N 3.43Å; A83-N86 HydrophobicContact CB-CB 4.25Å; A83-N86 PolarHBondContact O-N 3.11Å; A83-S89 PolarHBondContact N-OG 2.86Å; A83-S89 PolarHBondContact O-OG 3.12Å; A83-N116 WeakPolarHBondContact CA-O 3.2Å; A83-K117 HydrophobicContact CB-CD 3.96Å; A83-K117 HydrophobicContact CB-CG 4.19Å
84I98.6Very high98Very high0 Ų031.6 Ų31.60%016%0.16CC..THydrogen-bonded Turntrans-63.5-16.6-176.461138.2000113.8F82 N116 K117 R123 T124 V125F82-I84 HydrophobicContact CE2-CG2 4.08Å; F82-I84 HydrophobicContact CZ-CG2 4.5Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 3.29Å; I84-K117 WeakPolarHBondContact CD1-O 3.43Å; I84-K117 HydrophobicContact CG1-CB 4.49Å; I84-K117 VanDerWaalsContact CG1-O 3.26Å; I84-K117 WeakPolarHBondContact CG1-O 3.32Å; I84-R123 HydrophobicContact CD1-CB 3.99Å; I84-R123 HydrophobicContact CD1-CG 4.12Å; I84-T124 PolarHBondContact O-N 3.36Å; I84-V125 PolarHBondContact O-N 2.96Å
85N98.5Very high98.2Very high46 Ų4633.4 Ų33.425%0.24616%0.162CC..THydrogen-bonded Turntrans-99.113.8176.272.8-34.8000113.3A83 L120 S122A83-N85 WeakPolarHBondContact CB-OD1 3.21Å; A83-N85 PolarHBondContact O-N 3.43Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.25Å; N85-S122 VanDerWaalsContact CA-O 3.3Å; N85-S122 WeakPolarHBondContact CA-O 3.35Å; N85-S122 WeakPolarHBondContact CB-O 3.3Å
86N98.2Very high98.1Very high63 Ų6333.8 Ų33.834%0.33716%0.164SC..  trans-140.596.3179.3-179-15000110.6A83 K88 S89 F90 T124A83-N86 HydrophobicContact CB-CB 4.25Å; A83-N86 PolarHBondContact O-N 3.11Å; N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 2.9Å; N86-K88 PolarHBondContact OD1-N 3.01Å; N86-S89 PolarHBondContact O-N 3.19Å; N86-S89 VanDerWaalsContact O-N 3.17Å; N86-S89 PolarHBondContact O-OG 3.36Å; N86-S89 PolarHBondContact OD1-N 2.9Å; N86-F90 PolarHBondContact O-N 3.35Å; N86-T124 PolarHBondContact N-OG1 2.84Å
87T98.4Very high98.1Very high57 Ų5732.8 Ų32.835%0.3516%0.158SC..Hα-helixtrans-60.6-39.1-179-54.30000113S89 F90 E91 T124T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 2.86Å; T87-F90 WeakPolarHBondContact O-CB 3.12Å; T87-F90 PolarHBondContact O-N 3.43Å; T87-E91 PolarHBondContact O-N 2.87Å; T87-T124 PolarHBondContact N-OG1 2.77Å; T87-T124 WeakPolarHBondContact OG1-CB 3.39Å; T87-T124 PolarHBondContact OG1-O 2.84Å; T87-T124 PolarHBondContact OG1-OG1 2.91Å
88K98Very high98Very high103 Ų10336 Ų3645%0.44817%0.173SC..Hα-helixtrans-59.9-40.4176.8179.559.4168.270.60111.7N86 F90 E91 D92N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 2.9Å; N86-K88 PolarHBondContact OD1-N 3.01Å; K88-F90 PolarHBondContact O-N 2.99Å; K88-E91 PolarHBondContact O-N 2.69Å; K88-D92 IonicContact NZ-OD1 2.77Å; K88-D92 PolarHBondContact NZ-OD1 3.33Å; K88-D92 IonicContact NZ-OD2 3.66Å; K88-D92 PolarHBondContact NZ-OD2 3.01Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 2.66Å
89S98.2Very high97.9Very high1 Ų137.2 Ų37.21%0.00718%0.179CC..Hα-helixtrans-64.4-28.217776.60000113.4F82 A83 N86 T87F82-S89 WeakPolarHBondContact CB-O 3.21Å; A83-S89 PolarHBondContact N-OG 2.86Å; A83-S89 PolarHBondContact O-OG 3.12Å; N86-S89 PolarHBondContact O-N 3.19Å; N86-S89 VanDerWaalsContact O-N 3.17Å; N86-S89 PolarHBondContact O-OG 3.36Å; N86-S89 PolarHBondContact OD1-N 2.9Å; T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 2.86Å
90F98.7Very high97.8Very high29 Ų2937.2 Ų37.213%0.12718%0.179CC..Hα-helixtrans-75.5-41.9174.8176.7-110.1000111.8F82 N86 T87 K88 D92 I93 L113 V125 A130 L133F82-F90 HydrophobicContact CB-CB 4.33Å; F82-F90 AromaticContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD1-CD2 3.87Å; F82-F90 HydrophobicContact CD2-CB 3.72Å; F82-F90 AromaticContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CD2 3.8Å; F82-F90 HydrophobicContact CD2-CG 4.19Å; F82-F90 AromaticContact CE1-CD2 3.76Å; F82-F90 HydrophobicContact CE1-CD2 3.76Å; F82-F90 HydrophobicContact CE1-CE2 4.14Å; F82-F90 HydrophobicContact CE2-CB 4.23Å; F82-F90 AromaticContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CD2 3.7Å; F82-F90 HydrophobicContact CE2-CE2 4.47Å; F82-F90 HydrophobicContact CE2-CG 4.28Å; F82-F90 HydrophobicContact CG-CB 4.07Å; F82-F90 AromaticContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CD2 3.89Å; F82-F90 HydrophobicContact CG-CG 4.49Å; F82-F90 AromaticContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CD2 3.68Å; F82-F90 HydrophobicContact CZ-CE2 4.08Å; N86-F90 PolarHBondContact O-N 3.35Å; T87-F90 WeakPolarHBondContact O-CB 3.12Å; T87-F90 PolarHBondContact O-N 3.43Å; K88-F90 PolarHBondContact O-N 2.99Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 2.74Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.38Å; F90-I93 WeakPolarHBondContact O-CG1 3.33Å; F90-I93 PolarHBondContact O-N 3.07Å; F90-L113 HydrophobicContact CE2-CD2 4.48Å; F90-V125 HydrophobicContact CB-CG1 4.36Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.9Å; F90-V125 HydrophobicContact CD1-CG2 4.38Å; F90-V125 HydrophobicContact CD2-CG1 3.95Å; F90-V125 HydrophobicContact CE1-CG1 4.12Å; F90-V125 HydrophobicContact CE2-CG1 4.17Å; F90-V125 HydrophobicContact CG-CG1 3.8Å; F90-V125 HydrophobicContact CG-CG2 4.14Å; F90-V125 HydrophobicContact CZ-CG1 4.24Å; F90-A130 HydrophobicContact CE2-CB 3.83Å; F90-A130 HydrophobicContact CZ-CB 4.32Å; F90-L133 HydrophobicContact CD2-CD2 4.29Å; F90-L133 HydrophobicContact CE1-CD2 4.29Å; F90-L133 HydrophobicContact CE2-CB 4.36Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.94Å; F90-L133 HydrophobicContact CZ-CD2 3.48Å; F90-L133 VanDerWaalsContact CZ-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CG 4.32Å
91E98.1Very high97.8Very high115 Ų11538.1 Ų38.154%0.53718%0.182SC..Hα-helixtrans-60.1-40.6173.9-67167.5176.400111.5T87 K88 I93 H94T87-E91 PolarHBondContact O-N 2.87Å; K88-E91 PolarHBondContact O-N 2.69Å; E91-I93 PolarHBondContact O-N 3.44Å; E91-I93 VanDerWaalsContact O-N 3.13Å; E91-H94 PolarHBondContact O-N 3.33Å
92D97.3Very high97.7Very high25 Ų2545.9 Ų45.913%0.13421%0.212CC..THydrogen-bonded Turntrans-63.8-19.6-179.2-73-23.4000114.2K88 F90 H94 H95 Y96K88-D92 IonicContact NZ-OD1 2.77Å; K88-D92 PolarHBondContact NZ-OD1 3.33Å; K88-D92 IonicContact NZ-OD2 3.66Å; K88-D92 PolarHBondContact NZ-OD2 3.01Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 2.66Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 2.74Å; D92-H94 PolarHBondContact O-N 2.66Å; D92-H95 WeakPolarHBondContact O-CB 3.4Å; D92-H95 PolarHBondContact O-N 3.08Å; D92-H95 IonicContact OD1-CD2 3.92Å; D92-Y96 HydrophobicContact CB-CD2 4.48Å; D92-Y96 HydrophobicContact CB-CE2 4.24Å; D92-Y96 VanDerWaalsContact O-CD2 3.24Å; D92-Y96 WeakPolarHBondContact O-CD2 3.2Å; D92-Y96 PolarHBondContact O-N 2.89Å
93I98.3Very high97.5Very high1 Ų147 Ų471%0.00522%0.218CC..Hα-helixtrans-55.3-35.4175.9-65.4-55.2000111.5C80 F82 F90 E91 H95 Y96 R97 L113 L133 Y137C80-I93 HydrophobicContact CB-CD1 4.2Å; C80-I93 HydrophobicContact CB-CG2 4.38Å; F82-I93 HydrophobicContact CB-CD1 4.08Å; F82-I93 HydrophobicContact CB-CG1 4.07Å; F82-I93 HydrophobicContact CD1-CG1 4.33Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.38Å; F90-I93 WeakPolarHBondContact O-CG1 3.33Å; F90-I93 PolarHBondContact O-N 3.07Å; E91-I93 PolarHBondContact O-N 3.44Å; E91-I93 VanDerWaalsContact O-N 3.13Å; I93-H95 VanDerWaalsContact C-N 3.33Å; I93-H95 PolarHBondContact O-N 3.39Å; I93-Y96 PolarHBondContact O-N 2.92Å; I93-R97 WeakPolarHBondContact O-CB 3.48Å; I93-R97 PolarHBondContact O-N 3.46Å; I93-L113 HydrophobicContact CB-CD1 4.47Å; I93-L113 HydrophobicContact CD1-CD1 4.33Å; I93-L113 HydrophobicContact CG1-CD1 4.03Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; I93-L133 HydrophobicContact CG2-CD2 4.48Å; I93-Y137 HydrophobicContact CG2-CE2 4.37Å
94H97.6Very high97.4Very high86 Ų8650.3 Ų50.340%0.39823%0.232SC..Hα-helixtrans-59-46176.6-178.767000111.5E91 D92 R97 E98 Y137E91-H94 PolarHBondContact O-N 3.33Å; D92-H94 PolarHBondContact O-N 2.66Å; H94-R97 PolarHBondContact O-N 3.09Å; H94-E98 IonicContact CE1-OE1 3.82Å; H94-E98 PolarHBondContact O-N 2.7Å; H94-Y137 PolarHBondContact ND1-OH 3.41Å; H94-Y137 VanDerWaalsContact ND1-OH 3.09Å
95H95.8Very high97.3Very high118 Ų11857.6 Ų57.655%0.54627%0.271SS..Hα-helixtrans-64-43178.9-62-53.4000112.3D92 I93 Q99D92-H95 WeakPolarHBondContact O-CB 3.4Å; D92-H95 PolarHBondContact O-N 3.08Å; D92-H95 IonicContact OD1-CD2 3.92Å; I93-H95 VanDerWaalsContact C-N 3.33Å; I93-H95 PolarHBondContact O-N 3.39Å; H95-Q99 WeakPolarHBondContact O-CB 3.21Å; H95-Q99 PolarHBondContact O-N 3.13Å
96Y96.5Very high97.2Very high7 Ų757.3 Ų57.33%0.02727%0.273CS..Hα-helixtrans-61.2-44.9175.3-75.3-74.7000111.8V9 G10 R68 M72 D92 I93 Q99 I100V9-Y96 HydrophobicContact CB-CD1 3.9Å; V9-Y96 HydrophobicContact CB-CE1 4.31Å; V9-Y96 HydrophobicContact CG2-CD1 4.18Å; V9-Y96 HydrophobicContact CG2-CG 4.36Å; G10-Y96 VanDerWaalsContact C-CZ 3.47Å; G10-Y96 VanDerWaalsContact C-OH 3.29Å; G10-Y96 PolarHBondContact O-OH 3.35Å; R68-Y96 PolarHBondContact NH2-OH 3.44Å; R68-Y96 VanDerWaalsContact NH2-OH 3.16Å; M72-Y96 HydrophobicContact CE-CD1 4.25Å; D92-Y96 HydrophobicContact CB-CD2 4.48Å; D92-Y96 HydrophobicContact CB-CE2 4.24Å; D92-Y96 VanDerWaalsContact O-CD2 3.24Å; D92-Y96 WeakPolarHBondContact O-CD2 3.2Å; D92-Y96 PolarHBondContact O-N 2.89Å; I93-Y96 PolarHBondContact O-N 2.92Å; Y96-Q99 PolarHBondContact O-N 2.97Å; Y96-I100 WeakPolarHBondContact O-CD1 3.45Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.32Å; Y96-I100 PolarHBondContact O-N 3.49Å
97R97.3Very high97Very high35 Ų3561.1 Ų61.113%0.13229%0.289CS..Hα-helixtrans-60.7-51178.9179-178.9-178.1-88.54.7111.9I93 H94 Q99 I100 K101 M111 Y137I93-R97 WeakPolarHBondContact O-CB 3.48Å; I93-R97 PolarHBondContact O-N 3.46Å; H94-R97 PolarHBondContact O-N 3.09Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.99Å; R97-I100 PolarHBondContact O-N 3.43Å; R97-K101 HydrophobicContact CG-CD 4.22Å; R97-K101 WeakPolarHBondContact O-CG 3.11Å; R97-K101 PolarHBondContact O-N 3.21Å; R97-M111 HydrophobicContact CG-CE 4.19Å; R97-M111 HydrophobicContact CG-SD 4.05Å; R97-Y137 VanDerWaalsContact NE-CD1 3.33Å
98E96.8Very high96.8Very high66 Ų6661.5 Ų61.531%0.30829%0.289SS..Hα-helixtrans-64.1-36.6-178.6-67.1-46.8120.100111.7H94 K101 R102H94-E98 IonicContact CE1-OE1 3.82Å; H94-E98 PolarHBondContact O-N 2.7Å; E98-K101 PolarHBondContact O-N 3.24Å; E98-K101 IonicContact OE2-NZ 2.6Å; E98-K101 PolarHBondContact OE2-NZ 2.8Å; E98-R102 WeakPolarHBondContact O-CB 3.29Å; E98-R102 PolarHBondContact O-N 2.82Å
99Q95.6Very high96.8Very high27 Ų2757.4 Ų57.413%0.12627%0.272CS..Hα-helixtrans-63.2-45.5173.8-166.9176.115.300111.8R68 D69 M72 H95 Y96 R97 K101 R102 V103R68-Q99 VanDerWaalsContact CD-OE1 3.24Å; D69-Q99 PolarHBondContact OD1-NE2 2.93Å; M72-Q99 HydrophobicContact CE-CB 4.07Å; M72-Q99 HydrophobicContact CE-CG 3.99Å; M72-Q99 HydrophobicContact SD-CB 3.95Å; M72-Q99 HydrophobicContact SD-CG 3.55Å; M72-Q99 VanDerWaalsContact SD-CG 3.55Å; H95-Q99 WeakPolarHBondContact O-CB 3.21Å; H95-Q99 PolarHBondContact O-N 3.13Å; Y96-Q99 PolarHBondContact O-N 2.97Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.99Å; Q99-K101 PolarHBondContact O-N 3.38Å; Q99-R102 PolarHBondContact O-N 2.72Å; Q99-V103 HydrophobicContact CG-CG2 4.43Å; Q99-V103 VanDerWaalsContact O-CG2 3.27Å; Q99-V103 WeakPolarHBondContact O-CG2 3.3Å; Q99-V103 PolarHBondContact O-N 3.37Å
100I97.5Very high96.9Very high0 Ų057.8 Ų57.80%028%0.275CS..Hα-helixtrans-59.2-49.9177-68.8161.2000110.3V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111V9-I100 HydrophobicContact CG2-CD1 4.06Å; M72-I100 HydrophobicContact CE-CG1 3.8Å; M72-I100 HydrophobicContact CG-CG1 3.92Å; M72-I100 HydrophobicContact SD-CB 4.36Å; M72-I100 HydrophobicContact SD-CG1 3.65Å; F78-I100 HydrophobicContact CB-CD1 3.8Å; F78-I100 HydrophobicContact CD1-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CG1 3.99Å; F78-I100 HydrophobicContact CD1-CG2 4.46Å; F78-I100 HydrophobicContact CD2-CD1 4.23Å; F78-I100 HydrophobicContact CD2-CG2 3.63Å; F78-I100 HydrophobicContact CE1-CD1 4.45Å; F78-I100 HydrophobicContact CE1-CG1 4.24Å; F78-I100 HydrophobicContact CE1-CG2 4.4Å; F78-I100 HydrophobicContact CE2-CG2 3.55Å; F78-I100 HydrophobicContact CG-CD1 3.62Å; F78-I100 HydrophobicContact CG-CG1 4.18Å; F78-I100 HydrophobicContact CG-CG2 4.13Å; F78-I100 HydrophobicContact CZ-CG2 3.98Å; Y96-I100 WeakPolarHBondContact O-CD1 3.45Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.32Å; Y96-I100 PolarHBondContact O-N 3.49Å; R97-I100 PolarHBondContact O-N 3.43Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 3.11Å; I100-V103 PolarHBondContact O-N 2.95Å; I100-K104 HydrophobicContact CG2-CG 3.97Å; I100-K104 WeakPolarHBondContact O-CB 3.5Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.48Å; I100-K104 PolarHBondContact O-N 3.34Å; I100-V109 HydrophobicContact CG2-CB 4.43Å; I100-V109 HydrophobicContact CG2-CG1 3.77Å; I100-M111 HydrophobicContact CB-CE 3.55Å; I100-M111 HydrophobicContact CD1-CE 3.83Å; I100-M111 HydrophobicContact CG1-CE 4.29Å; I100-M111 HydrophobicContact CG2-CE 3.27Å
101K97.4Very high96.9Very high20 Ų2056.7 Ų56.79%0.08727%0.27CS..Hα-helixtrans-56.4-46.3179.4-73.1178.166-134.20112R97 E98 Q99 K104 D105 S106 E107R97-K101 HydrophobicContact CG-CD 4.22Å; R97-K101 WeakPolarHBondContact O-CG 3.11Å; R97-K101 PolarHBondContact O-N 3.21Å; E98-K101 PolarHBondContact O-N 3.24Å; E98-K101 IonicContact OE2-NZ 2.6Å; E98-K101 PolarHBondContact OE2-NZ 2.8Å; Q99-K101 PolarHBondContact O-N 3.38Å; K101-K104 PolarHBondContact O-N 2.94Å; K101-D105 WeakPolarHBondContact O-CA 3.45Å; K101-D105 PolarHBondContact O-N 2.87Å; K101-S106 PolarHBondContact O-N 2.98Å; K101-E107 WeakPolarHBondContact CE-OE1 3.43Å; K101-E107 WeakPolarHBondContact CE-OE2 3.08Å; K101-E107 IonicContact NZ-OE1 3.11Å; K101-E107 PolarHBondContact NZ-OE1 2.95Å; K101-E107 IonicContact NZ-OE2 3.38Å; K101-E107 PolarHBondContact NZ-OE2 2.79Å
102R96.8Very high96.9Very high163 Ų16351.2 Ų51.262%0.61524%0.244SC*.Hα-helixtrans-59.6-46.8176.9-175.6-174.371.6-164.43.8111.9D69 E98 Q99 I100 D105D69-R102 IonicContact OD1-NH2 2.65Å; D69-R102 PolarHBondContact OD1-NH2 2.78Å; D69-R102 IonicContact OD2-NH2 3.54Å; E98-R102 WeakPolarHBondContact O-CB 3.29Å; E98-R102 PolarHBondContact O-N 2.82Å; Q99-R102 PolarHBondContact O-N 2.72Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 3.11Å; R102-D105 PolarHBondContact O-N 2.9Å
103V96.3Very high97Very high24 Ų2450 Ų5015%0.14524%0.238CC..Hα-helixtrans-71.7-35-177.4173.70000112.1D69 M72 R73 Q99 I100 D105D69-V103 HydrophobicContact CB-CG2 3.92Å; D69-V103 VanDerWaalsContact CG-CG2 3.47Å; D69-V103 WeakPolarHBondContact O-CG1 3.39Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.45Å; M72-V103 HydrophobicContact CB-CB 3.99Å; M72-V103 HydrophobicContact CB-CG1 3.72Å; M72-V103 HydrophobicContact CB-CG2 4.31Å; M72-V103 HydrophobicContact SD-CG2 4.39Å; R73-V103 HydrophobicContact CB-CG1 3.95Å; Q99-V103 HydrophobicContact CG-CG2 4.43Å; Q99-V103 VanDerWaalsContact O-CG2 3.27Å; Q99-V103 WeakPolarHBondContact O-CG2 3.3Å; Q99-V103 PolarHBondContact O-N 3.37Å; I100-V103 PolarHBondContact O-N 2.95Å; V103-D105 VanDerWaalsContact C-N 3.31Å
104K96.5Very high97Very high70 Ų7050 Ų5030%0.30424%0.238SC..Hα-helixtrans-79.7-12.9176.1-63.6-54.1-57.3-167.90113.4M72 R73 G75 F78 I100 K101 S106 V109M72-K104 WeakPolarHBondContact O-CD 3.39Å; R73-K104 PolarHBondContact O-NZ 3.29Å; G75-K104 PolarHBondContact O-NZ 3Å; F78-K104 HydrophobicContact CE2-CD 4.3Å; F78-K104 HydrophobicContact CE2-CG 4.35Å; F78-K104 HydrophobicContact CZ-CD 4.25Å; I100-K104 HydrophobicContact CG2-CG 3.97Å; I100-K104 WeakPolarHBondContact O-CB 3.5Å; I100-K104 VanDerWaalsContact O-CG 3.3Å; I100-K104 WeakPolarHBondContact O-CG 3.48Å; I100-K104 PolarHBondContact O-N 3.34Å; K101-K104 PolarHBondContact O-N 2.94Å; K104-S106 PolarHBondContact O-N 2.97Å; K104-V109 HydrophobicContact CB-CG2 3.75Å; K104-V109 HydrophobicContact CG-CG1 4.02Å; K104-V109 HydrophobicContact CG-CG2 3.95Å
105D96.4Very high97.1Very high153 Ų15345.9 Ų45.982%0.81822%0.219SC*.THydrogen-bonded Turntrans49.845.3-171.3-16733.7000111.6K101 R102 V103K101-D105 WeakPolarHBondContact O-CA 3.45Å; K101-D105 PolarHBondContact O-N 2.87Å; R102-D105 PolarHBondContact O-N 2.9Å; V103-D105 VanDerWaalsContact C-N 3.31Å
106S95.4Very high97.2Very high40 Ų4040.4 Ų40.428%0.2819%0.194SC..  trans-149.7138.9-176.8-176.10000112K101 K104 D108 V109K101-S106 PolarHBondContact O-N 2.98Å; K104-S106 PolarHBondContact O-N 2.97Å; S106-D108 PolarHBondContact OG-N 3.47Å; S106-D108 VanDerWaalsContact OG-N 3.12Å; S106-D108 PolarHBondContact OG-O 3.26Å; S106-V109 WeakPolarHBondContact O-CG2 3.22Å
107E94.3Very high97.3Very high143 Ų14342.9 Ų42.967%0.66821%0.205SC*.SBendtrans-80.4-23170.3-66.3-63121.400112.6K101K101-E107 WeakPolarHBondContact CE-OE1 3.43Å; K101-E107 WeakPolarHBondContact CE-OE2 3.08Å; K101-E107 IonicContact NZ-OE1 3.11Å; K101-E107 PolarHBondContact NZ-OE1 2.95Å; K101-E107 IonicContact NZ-OE2 3.38Å; K101-E107 PolarHBondContact NZ-OE2 2.79Å
108D94.7Very high97.3Very high66 Ų6642.3 Ų42.335%0.35321%0.206SC..  trans-109.993.7-178.9-16913.1000107.8S106 H166 K169S106-D108 PolarHBondContact OG-N 3.47Å; S106-D108 VanDerWaalsContact OG-N 3.12Å; S106-D108 PolarHBondContact OG-O 3.26Å; D108-H166 PolarHBondContact O-NE2 3.41Å; D108-H166 VanDerWaalsContact O-NE2 3.13Å; D108-H166 IonicContact OD1-CD2 3.84Å; D108-H166 IonicContact OD2-CD2 3.33Å; D108-K169 IonicContact OD2-NZ 3.29Å; D108-K169 PolarHBondContact OD2-NZ 2.96Å
109V98Very high97.4Very high16 Ų1641.9 Ų41.910%0.09721%0.206CC..  trans-125.5128.1179.3-178.90000108F78 I100 K104 S106 M111F78-V109 HydrophobicContact CD2-CG1 3.75Å; F78-V109 HydrophobicContact CE2-CG1 3.67Å; I100-V109 HydrophobicContact CG2-CB 4.43Å; I100-V109 HydrophobicContact CG2-CG1 3.77Å; K104-V109 HydrophobicContact CB-CG2 3.75Å; K104-V109 HydrophobicContact CG-CG1 4.02Å; K104-V109 HydrophobicContact CG-CG2 3.95Å; S106-V109 WeakPolarHBondContact O-CG2 3.22Å; V109-M111 HydrophobicContact CB-CE 4.05Å; V109-M111 HydrophobicContact CG1-CE 4.15Å; V109-M111 WeakPolarHBondContact O-CG 3.28Å; V109-M111 PolarHBondContact O-N 3.27Å; V109-M111 VanDerWaalsContact O-N 3.16Å
110P98.7Very high97.5Very high9 Ų943.5 Ų43.56%0.05822%0.215CC..  trans-57.7119.1178-26.235.4000112.1G77 F78 L159 E162 I163 H166G77-P110 CarbonylContact C-O 3.57Å; G77-P110 WeakPolarHBondContact CA-O 3.42Å; F78-P110 PolarHBondContact N-O 2.89Å; P110-L159 HydrophobicContact CB-CD1 4.42Å; P110-E162 HydrophobicContact CB-CB 4.15Å; P110-I163 HydrophobicContact CB-CB 4.47Å; P110-I163 HydrophobicContact CB-CG1 3.68Å; P110-I163 HydrophobicContact CG-CB 4.47Å; P110-I163 HydrophobicContact CG-CG1 4.04Å; P110-H166 HydrophobicContact CG-CB 3.63Å
111M98.8Very high97.4Very high6 Ų649.7 Ų49.73%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-142155.9178.7-63.4174.2-17900110.6F78 R97 I100 V109 I139 P140F78-M111 HydrophobicContact CB-CG 4.19Å; F78-M111 CarbonylContact O-C 3.51Å; F78-M111 WeakPolarHBondContact O-CA 3.31Å; R97-M111 HydrophobicContact CG-CE 4.19Å; R97-M111 HydrophobicContact CG-SD 4.05Å; I100-M111 HydrophobicContact CB-CE 3.55Å; I100-M111 HydrophobicContact CD1-CE 3.83Å; I100-M111 HydrophobicContact CG1-CE 4.29Å; I100-M111 HydrophobicContact CG2-CE 3.27Å; V109-M111 HydrophobicContact CB-CE 4.05Å; V109-M111 HydrophobicContact CG1-CE 4.15Å; V109-M111 WeakPolarHBondContact O-CG 3.28Å; V109-M111 PolarHBondContact O-N 3.27Å; V109-M111 VanDerWaalsContact O-N 3.16Å; M111-I139 HydrophobicContact CB-CD1 4.13Å; M111-I139 HydrophobicContact CB-CG2 4.06Å; M111-P140 WeakPolarHBondContact O-CD 3.2Å
112V98.9Very high97.4Very high0 Ų051.9 Ų51.90%027%0.273CS..EExtended strand (participates in β ladder)trans-133.1131165.6175.60000108.2F78 L79 C80 V114 P140 I142 T158 L159 E162F78-V112 PolarHBondContact O-N 2.91Å; L79-V112 HydrophobicContact CD2-CB 3.73Å; L79-V112 HydrophobicContact CD2-CG1 4.28Å; L79-V112 HydrophobicContact CD2-CG2 4.38Å; C80-V112 PolarHBondContact N-O 2.98Å; V112-V114 HydrophobicContact CG1-CG2 4.1Å; V112-P140 HydrophobicContact CG1-CB 4.31Å; V112-P140 HydrophobicContact CG2-CB 4.3Å; V112-P140 HydrophobicContact CG2-CG 4.27Å; V112-I142 HydrophobicContact CG1-CD1 4.26Å; V112-I142 HydrophobicContact CG1-CG1 4.44Å; V112-T158 HydrophobicContact CG2-CG2 3.92Å; V112-L159 HydrophobicContact CG2-CB 3.95Å; V112-L159 HydrophobicContact CG2-CD1 4.15Å; V112-E162 HydrophobicContact CG2-CG 4.48Å
113L98.9Very high97.4Very high0 Ų047.9 Ų47.90%026%0.258CS..EExtended strand (participates in β ladder)trans-80.3129.3171.3-176.263.7000109.4C80 F82 F90 I93 A130 L133 A134 I139 P140 F141 I142C80-L113 HydrophobicContact CB-CD1 4.39Å; F82-L113 HydrophobicContact CD1-CD1 3.91Å; F82-L113 HydrophobicContact CD1-CG 4.38Å; F82-L113 HydrophobicContact CE1-CD1 4.03Å; F82-L113 HydrophobicContact CE1-CD2 4.28Å; F82-L113 HydrophobicContact CE1-CG 4Å; F90-L113 HydrophobicContact CE2-CD2 4.48Å; I93-L113 HydrophobicContact CB-CD1 4.47Å; I93-L113 HydrophobicContact CD1-CD1 4.33Å; I93-L113 HydrophobicContact CG1-CD1 4.03Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; L113-A130 HydrophobicContact CD2-CB 4.48Å; L113-A130 WeakPolarHBondContact CD2-O 3.34Å; L113-L133 HydrophobicContact CD2-CD2 4.32Å; L113-A134 HydrophobicContact CB-CB 4.23Å; L113-A134 HydrophobicContact CD2-CB 3.91Å; L113-I139 HydrophobicContact CB-CD1 3.99Å; L113-I139 HydrophobicContact CB-CG1 4.45Å; L113-P140 PolarHBondContact N-O 3.34Å; L113-F141 HydrophobicContact CB-CD2 4.08Å; L113-F141 HydrophobicContact CD2-CD2 3.86Å; L113-F141 HydrophobicContact CD2-CE2 4.44Å; L113-F141 HydrophobicContact CG-CD2 3.81Å; L113-F141 HydrophobicContact CG-CE2 4.4Å; L113-F141 WeakPolarHBondContact O-CA 3.47Å; L113-F141 WeakPolarHBondContact O-CD2 3.33Å; L113-I142 PolarHBondContact O-N 2.99Å
114V98.9Very high97.5Very high0 Ų050 Ų500%027%0.271CS..EExtended strand (participates in β ladder)trans-123.6115.8-176.7-179.60000110.3L19 L79 C80 V81 F82 V112 I142 T144 A155L19-V114 HydrophobicContact CD1-CG1 4.02Å; L79-V114 HydrophobicContact CB-CG2 4.39Å; L79-V114 HydrophobicContact CD2-CG2 4.01Å; C80-V114 PolarHBondContact O-N 3.35Å; V81-V114 WeakPolarHBondContact CA-O 3.49Å; V81-V114 HydrophobicContact CB-CB 4.48Å; V81-V114 HydrophobicContact CG1-CB 4.42Å; V81-V114 HydrophobicContact CG1-CG1 4.27Å; V81-V114 HydrophobicContact CG2-CB 4.15Å; V81-V114 HydrophobicContact CG2-CG1 4.49Å; F82-V114 WeakPolarHBondContact CD1-O 3.42Å; F82-V114 PolarHBondContact N-O 2.84Å; V112-V114 HydrophobicContact CG1-CG2 4.1Å; V114-I142 WeakPolarHBondContact CA-O 3.48Å; V114-T144 HydrophobicContact CG1-CG2 3.69Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.35Å; V114-A155 HydrophobicContact CG2-CB 4.08Å
115G98.9Very high97.6Very high0 Ų046.8 Ų46.80%026%0.257CS..EExtended strand (participates in β ladder)trans-94.692.7172.200000110.5F82 I142 E143 T144F82-G115 VanDerWaalsContact CE1-CA 3.42Å; F82-G115 VanDerWaalsContact CZ-CA 3.47Å; G115-I142 PolarHBondContact N-O 3.12Å; G115-E143 CarbonylContact O-C 3.59Å; G115-E143 WeakPolarHBondContact O-CA 3.48Å; G115-T144 PolarHBondContact O-N 3.19Å
116N98.8Very high97.7Very high3 Ų344.1 Ų44.12%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-82.6167-176.7-168.128.8000112.4V14 L19 V81 F82 A83 I84 T144 A146V14-N116 PolarHBondContact O-ND2 3.44Å; L19-N116 HydrophobicContact CD1-CB 4.28Å; V81-N116 HydrophobicContact CG1-CB 3.94Å; F82-N116 PolarHBondContact O-N 3.43Å; A83-N116 WeakPolarHBondContact CA-O 3.2Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 3.29Å; N116-T144 CarbonylContact C-O 3.58Å; N116-T144 VanDerWaalsContact C-O 3.31Å; N116-T144 VanDerWaalsContact CA-O 3.27Å; N116-T144 WeakPolarHBondContact CA-O 3.34Å; N116-T144 WeakPolarHBondContact CA-OG1 3.38Å; N116-T144 PolarHBondContact OD1-O 2.94Å; N116-T144 PolarHBondContact OD1-OG1 2.93Å; N116-A146 PolarHBondContact OD1-N 2.82Å
117K98.2Very high97.8Very high60 Ų6044.5 Ų44.526%0.26124%0.244SC..  trans67.332.3-179.1-44.7-168.3-173.3-175.30113.3G13 A83 I84 D119 L120 T144G13-K117 VanDerWaalsContact O-CE 3.28Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 3.22Å; A83-K117 HydrophobicContact CB-CD 3.96Å; A83-K117 HydrophobicContact CB-CG 4.19Å; I84-K117 WeakPolarHBondContact CD1-O 3.43Å; I84-K117 HydrophobicContact CG1-CB 4.49Å; I84-K117 VanDerWaalsContact CG1-O 3.26Å; I84-K117 WeakPolarHBondContact CG1-O 3.32Å; K117-D119 PolarHBondContact O-N 3.05Å; K117-L120 HydrophobicContact CB-CD1 3.83Å; K117-L120 HydrophobicContact CB-CG 4.12Å; K117-L120 HydrophobicContact CD-CD1 3.88Å; K117-L120 HydrophobicContact CG-CD1 4.45Å; K117-L120 PolarHBondContact O-N 3.25Å; K117-T144 PolarHBondContact N-O 3.01Å
118C98.4Very high98Very high23 Ų2344.7 Ų44.716%0.15524%0.242CC..THydrogen-bonded Turntrans-63.4-11179.272.70000113.9E143 T144 Q150C118-E143 HydrophobicContact CB-CB 4.13Å; C118-T144 PolarHBondContact N-O 3.32Å; C118-T144 PolarHBondContact SG-O 2.97Å; C118-Q150 PolarHBondContact SG-NE2 3.5Å
119D98Very high98.2Very high57 Ų5746.3 Ų46.331%0.30525%0.248SC..THydrogen-bonded Turntrans-77-16.4172.559.6-75.7000114.3K117 S145 K147 T148K117-D119 PolarHBondContact O-N 3.05Å; D119-S145 WeakPolarHBondContact OD1-CB 3.24Å; D119-S145 PolarHBondContact OD1-OG 2.93Å; D119-K147 WeakPolarHBondContact OD2-CD 3.47Å; D119-T148 HydrophobicContact CB-CG2 4.13Å
120L96.9Very high98.2Very high60 Ų6045.6 Ų45.631%0.31424%0.243SC..  trans-82.3139.6-177.6-64.4-178000111.9N85 K117 S122N85-L120 WeakPolarHBondContact ND2-CD1 3.25Å; K117-L120 HydrophobicContact CB-CD1 3.83Å; K117-L120 HydrophobicContact CB-CG 4.12Å; K117-L120 HydrophobicContact CD-CD1 3.88Å; K117-L120 HydrophobicContact CG-CD1 4.45Å; K117-L120 PolarHBondContact O-N 3.25Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.94Å
121P96.3Very high98.2Very high131 Ų13149.4 Ų49.485%0.85126%0.26SS*.SBendtrans-73.5-19.8178.130.1-35.5000113.2R123P121-R123 PolarHBondContact O-N 3.21Å
122S96.5Very high98.2Very high65 Ų6552.2 Ų52.246%0.45528%0.276SS..  trans-82.243.3-175.549.90000113.6N85 L120 T124N85-S122 VanDerWaalsContact CA-O 3.3Å; N85-S122 WeakPolarHBondContact CA-O 3.35Å; N85-S122 WeakPolarHBondContact CB-O 3.3Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.94Å; S122-T124 PolarHBondContact O-N 2.87Å
123R98.2Very high98.1Very high79 Ų7954 Ų5430%0.29829%0.285SS..  trans-60.3128.7177.1-179.4178.8-71-94.19.5110.7I84 P121 V125 T127 E143I84-R123 HydrophobicContact CD1-CB 3.99Å; I84-R123 HydrophobicContact CD1-CG 4.12Å; P121-R123 PolarHBondContact O-N 3.21Å; R123-V125 VanDerWaalsContact CD-O 3.32Å; R123-V125 WeakPolarHBondContact CD-O 3.21Å; R123-V125 WeakPolarHBondContact CG-O 3.27Å; R123-V125 PolarHBondContact NH1-O 3.42Å; R123-T127 PolarHBondContact NH1-OG1 2.89Å; R123-E143 IonicContact CZ-OE1 3.85Å; R123-E143 IonicContact CZ-OE2 2.78Å; R123-E143 IonicContact NH1-OE1 3.5Å; R123-E143 PolarHBondContact NH1-OE1 3.45Å; R123-E143 IonicContact NH1-OE2 3.85Å; R123-E143 VanDerWaalsContact NH2-CD 3.32Å; R123-E143 IonicContact NH2-OE1 2.89Å; R123-E143 PolarHBondContact NH2-OE1 3.49Å; R123-E143 VanDerWaalsContact NH2-OE1 3.11Å; R123-E143 IonicContact NH2-OE2 3.02Å; R123-E143 PolarHBondContact NH2-OE2 2.85Å
124T98.3Very high98.1Very high70 Ų7054.1 Ų54.143%0.42929%0.286SS..  trans-118.6-10.217368.10000113I84 N86 T87 S122I84-T124 PolarHBondContact O-N 3.36Å; N86-T124 PolarHBondContact N-OG1 2.84Å; T87-T124 PolarHBondContact N-OG1 2.77Å; T87-T124 WeakPolarHBondContact OG1-CB 3.39Å; T87-T124 PolarHBondContact OG1-O 2.84Å; T87-T124 PolarHBondContact OG1-OG1 2.91Å; S122-T124 PolarHBondContact O-N 2.87Å
125V98.4Very high98.1Very high1 Ų162.4 Ų62.41%0.00632%0.317CS..SBendtrans-117.7118.7175.9-1770000109.3F82 I84 F90 R123F82-V125 HydrophobicContact CE2-CB 4.07Å; F82-V125 HydrophobicContact CE2-CG1 3.85Å; F82-V125 HydrophobicContact CE2-CG2 4.33Å; F82-V125 HydrophobicContact CZ-CG1 4.33Å; I84-V125 PolarHBondContact O-N 2.96Å; F90-V125 HydrophobicContact CB-CG1 4.36Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.9Å; F90-V125 HydrophobicContact CD1-CG2 4.38Å; F90-V125 HydrophobicContact CD2-CG1 3.95Å; F90-V125 HydrophobicContact CE1-CG1 4.12Å; F90-V125 HydrophobicContact CE2-CG1 4.17Å; F90-V125 HydrophobicContact CG-CG1 3.8Å; F90-V125 HydrophobicContact CG-CG2 4.14Å; F90-V125 HydrophobicContact CZ-CG1 4.24Å; R123-V125 VanDerWaalsContact CD-O 3.32Å; R123-V125 WeakPolarHBondContact CD-O 3.21Å; R123-V125 WeakPolarHBondContact CG-O 3.27Å; R123-V125 PolarHBondContact NH1-O 3.42Å
126D97.9Very high98.1Very high98 Ų9866.5 Ų66.552%0.52435%0.345SS..  trans-70.3139.7179.1-71.8-29000110.9K128 Q129 A130D126-K128 PolarHBondContact O-N 2.8Å; D126-K128 VanDerWaalsContact O-N 3.13Å; D126-Q129 HydrophobicContact CB-CB 4.44Å; D126-Q129 HydrophobicContact CB-CG 4.05Å; D126-Q129 WeakPolarHBondContact O-CB 3.33Å; D126-Q129 PolarHBondContact O-N 2.92Å; D126-A130 PolarHBondContact O-N 3.15Å
127T98.1Very high98Very high48 Ų4868.2 Ų68.229%0.29435%0.352SS..Hα-helixtrans-52.7-38.4176-55.20000111.6R123 A130 Q131 F141 E143R123-T127 PolarHBondContact NH1-OG1 2.89Å; T127-A130 PolarHBondContact O-N 3.47Å; T127-Q131 HydrophobicContact CG2-CG 4.42Å; T127-Q131 WeakPolarHBondContact O-CB 3.44Å; T127-Q131 VanDerWaalsContact O-CG 3.27Å; T127-Q131 WeakPolarHBondContact O-CG 3.2Å; T127-Q131 PolarHBondContact O-N 3.4Å; T127-F141 HydrophobicContact CG2-CE1 4.04Å; T127-E143 WeakPolarHBondContact CB-OE1 3.42Å; T127-E143 PolarHBondContact OG1-OE1 3.46Å
128K98.3Very high98Very high147 Ų14768.4 Ų68.464%0.63937%0.371SS*.Hα-helixtrans-63.6-42.2177.7-173.2179177.6-174.50112.3D126 A130 Q131 D132D126-K128 PolarHBondContact O-N 2.8Å; D126-K128 VanDerWaalsContact O-N 3.13Å; K128-A130 VanDerWaalsContact C-N 3.33Å; K128-A130 PolarHBondContact O-N 3.02Å; K128-Q131 PolarHBondContact O-N 2.89Å; K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 PolarHBondContact O-N 2.78Å
129Q98Very high98Very high100 Ų10068.6 Ų68.647%0.46737%0.37SS..Hα-helixtrans-61.2-44.2177.5-68.9174.3-49.300110.9D126 D132 L133D126-Q129 HydrophobicContact CB-CB 4.44Å; D126-Q129 HydrophobicContact CB-CG 4.05Å; D126-Q129 WeakPolarHBondContact O-CB 3.33Å; D126-Q129 PolarHBondContact O-N 2.92Å; Q129-D132 PolarHBondContact O-N 3.21Å; Q129-L133 WeakPolarHBondContact O-CB 3.38Å; Q129-L133 PolarHBondContact O-N 2.98Å
130A98.6Very high98.1Very high1 Ų167.6 Ų67.61%0.00837%0.367CS..Hα-helixtrans-67.6-3917800000112.9F82 F90 L113 D126 T127 K128 L133 A134 F141F82-A130 HydrophobicContact CE1-CB 4.25Å; F82-A130 HydrophobicContact CZ-CB 3.74Å; F90-A130 HydrophobicContact CE2-CB 3.83Å; F90-A130 HydrophobicContact CZ-CB 4.32Å; L113-A130 HydrophobicContact CD2-CB 4.48Å; L113-A130 WeakPolarHBondContact CD2-O 3.34Å; D126-A130 PolarHBondContact O-N 3.15Å; T127-A130 PolarHBondContact O-N 3.47Å; K128-A130 VanDerWaalsContact C-N 3.33Å; K128-A130 PolarHBondContact O-N 3.02Å; A130-L133 PolarHBondContact O-N 3.09Å; A130-A134 WeakPolarHBondContact O-CB 3.26Å; A130-A134 PolarHBondContact O-N 2.76Å; A130-F141 HydrophobicContact CB-CD2 4.17Å; A130-F141 HydrophobicContact CB-CE1 3.95Å; A130-F141 HydrophobicContact CB-CE2 3.57Å; A130-F141 HydrophobicContact CB-CZ 3.42Å; A130-F141 VanDerWaalsContact CB-CZ 3.42Å
131Q98.6Very high98.2Very high89 Ų8966.6 Ų66.642%0.41636%0.36SS..Hα-helixtrans-62.8-44.5173.6-76.3173.1-16.800112.4T127 K128 L133 A134 R135 F141T127-Q131 HydrophobicContact CG2-CG 4.42Å; T127-Q131 WeakPolarHBondContact O-CB 3.44Å; T127-Q131 VanDerWaalsContact O-CG 3.27Å; T127-Q131 WeakPolarHBondContact O-CG 3.2Å; T127-Q131 PolarHBondContact O-N 3.4Å; K128-Q131 PolarHBondContact O-N 2.89Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-A134 PolarHBondContact O-N 3.31Å; Q131-R135 WeakPolarHBondContact O-CB 3.27Å; Q131-R135 PolarHBondContact O-N 3.08Å; Q131-F141 HydrophobicContact CB-CD1 4.46Å; Q131-F141 HydrophobicContact CG-CD1 3.49Å; Q131-F141 VanDerWaalsContact CG-CD1 3.49Å; Q131-F141 HydrophobicContact CG-CE1 3.89Å
132D98.7Very high98.3Very high65 Ų6561.7 Ų61.735%0.34833%0.326SS..Hα-helixtrans-65.6-39178.8-72.5-25.3000110.8K128 Q129 R135 S136K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 PolarHBondContact O-N 2.78Å; Q129-D132 PolarHBondContact O-N 3.21Å; D132-R135 PolarHBondContact O-N 3.2Å; D132-R135 IonicContact OD1-CZ 3.73Å; D132-R135 IonicContact OD1-NH1 3.41Å; D132-R135 PolarHBondContact OD1-NH1 2.94Å; D132-R135 IonicContact OD1-NH2 2.69Å; D132-S136 PolarHBondContact O-N 3Å
133L98.5Very high98.4Very high37 Ų3760.4 Ų60.419%0.19431%0.313CS..Hα-helixtrans-61.3-51.1172.5-175.366.7000111.7F90 I93 L113 Q129 A130 Q131 R135 S136 Y137F90-L133 HydrophobicContact CD2-CD2 4.29Å; F90-L133 HydrophobicContact CE1-CD2 4.29Å; F90-L133 HydrophobicContact CE2-CB 4.36Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.94Å; F90-L133 HydrophobicContact CZ-CD2 3.48Å; F90-L133 VanDerWaalsContact CZ-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CG 4.32Å; I93-L133 HydrophobicContact CG2-CD2 4.48Å; L113-L133 HydrophobicContact CD2-CD2 4.32Å; Q129-L133 WeakPolarHBondContact O-CB 3.38Å; Q129-L133 PolarHBondContact O-N 2.98Å; A130-L133 PolarHBondContact O-N 3.09Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.04Å; L133-S136 WeakPolarHBondContact O-CB 3.45Å; L133-S136 PolarHBondContact O-N 3.41Å; L133-S136 VanDerWaalsContact O-N 3.08Å; L133-S136 PolarHBondContact O-OG 3.22Å; L133-Y137 HydrophobicContact CD1-CD2 4.34Å; L133-Y137 HydrophobicContact CD1-CE1 4.32Å; L133-Y137 HydrophobicContact CD1-CE2 3.65Å; L133-Y137 HydrophobicContact CD2-CE2 4.08Å; L133-Y137 HydrophobicContact CG-CD2 4.13Å; L133-Y137 HydrophobicContact CG-CE2 3.69Å; L133-Y137 PolarHBondContact O-N 3.48Å; L133-Y137 VanDerWaalsContact O-N 3.09Å
134A98.7Very high98.4Very high2 Ų256.6 Ų56.62%0.01730%0.299CS..Hα-helixtrans-60.3-39.4179.100000112.3L113 A130 Q131 S136 Y137 G138 I139 F141L113-A134 HydrophobicContact CB-CB 4.23Å; L113-A134 HydrophobicContact CD2-CB 3.91Å; A130-A134 WeakPolarHBondContact O-CB 3.26Å; A130-A134 PolarHBondContact O-N 2.76Å; Q131-A134 PolarHBondContact O-N 3.31Å; A134-S136 VanDerWaalsContact C-N 3.35Å; A134-S136 PolarHBondContact O-N 2.97Å; A134-Y137 CarbonylContact O-C 3.58Å; A134-Y137 PolarHBondContact O-N 3.31Å; A134-G138 PolarHBondContact O-N 2.96Å; A134-I139 HydrophobicContact CB-CG1 4.17Å; A134-I139 WeakPolarHBondContact CB-O 3.4Å; A134-I139 PolarHBondContact O-N 3.36Å; A134-F141 HydrophobicContact CB-CB 3.61Å
135R98.4Very high98.4Very high175 Ų17553.3 Ų53.366%0.6628%0.278SS*.Hα-helixtrans-61.6-42.6173.8-167.6-172.4-61.2128.97111.4Q131 D132 L133 Y137 G138Q131-R135 WeakPolarHBondContact O-CB 3.27Å; Q131-R135 PolarHBondContact O-N 3.08Å; D132-R135 PolarHBondContact O-N 3.2Å; D132-R135 IonicContact OD1-CZ 3.73Å; D132-R135 IonicContact OD1-NH1 3.41Å; D132-R135 PolarHBondContact OD1-NH1 2.94Å; D132-R135 IonicContact OD1-NH2 2.69Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.04Å; R135-Y137 PolarHBondContact O-N 3.46Å; R135-G138 PolarHBondContact O-N 3.37Å; R135-G138 VanDerWaalsContact O-N 3.1Å
136S98.1Very high98.4Very high85 Ų8553.4 Ų53.459%0.59428%0.279SS*.Hα-helixtrans-62.9-30.8177.5810000112.9D132 L133 A134D132-S136 PolarHBondContact O-N 3Å; L133-S136 WeakPolarHBondContact O-CB 3.45Å; L133-S136 PolarHBondContact O-N 3.41Å; L133-S136 VanDerWaalsContact O-N 3.08Å; L133-S136 PolarHBondContact O-OG 3.22Å; A134-S136 VanDerWaalsContact C-N 3.35Å; A134-S136 PolarHBondContact O-N 2.97Å
137Y98Very high98.4Very high40 Ų4054.4 Ų54.416%0.15728%0.279CS..Hα-helixtrans-86.7-11.8174.8-65.5-24.5000114.3I93 H94 R97 L133 A134 R135 I139I93-Y137 HydrophobicContact CG2-CE2 4.37Å; H94-Y137 PolarHBondContact ND1-OH 3.41Å; H94-Y137 VanDerWaalsContact ND1-OH 3.09Å; R97-Y137 VanDerWaalsContact NE-CD1 3.33Å; L133-Y137 HydrophobicContact CD1-CD2 4.34Å; L133-Y137 HydrophobicContact CD1-CE1 4.32Å; L133-Y137 HydrophobicContact CD1-CE2 3.65Å; L133-Y137 HydrophobicContact CD2-CE2 4.08Å; L133-Y137 HydrophobicContact CG-CD2 4.13Å; L133-Y137 HydrophobicContact CG-CE2 3.69Å; L133-Y137 PolarHBondContact O-N 3.48Å; L133-Y137 VanDerWaalsContact O-N 3.09Å; A134-Y137 CarbonylContact O-C 3.58Å; A134-Y137 PolarHBondContact O-N 3.31Å; R135-Y137 PolarHBondContact O-N 3.46Å; Y137-I139 HydrophobicContact CD2-CD1 4.32Å
138G98Very high98.4Very high64 Ų6456.1 Ų56.166%0.6629%0.289SS*.THydrogen-bonded Turntrans72.929-176.900000114A134 R135A134-G138 PolarHBondContact O-N 2.96Å; R135-G138 PolarHBondContact O-N 3.37Å; R135-G138 VanDerWaalsContact O-N 3.1Å
139I98.7Very high98.4Very high27 Ų2752.2 Ų52.214%0.13827%0.271CS..  trans-121.6155.7-17568.2178.2000111.6M111 L113 A134 Y137M111-I139 HydrophobicContact CB-CD1 4.13Å; M111-I139 HydrophobicContact CB-CG2 4.06Å; L113-I139 HydrophobicContact CB-CD1 3.99Å; L113-I139 HydrophobicContact CB-CG1 4.45Å; A134-I139 HydrophobicContact CB-CG1 4.17Å; A134-I139 WeakPolarHBondContact CB-O 3.4Å; A134-I139 PolarHBondContact O-N 3.36Å; Y137-I139 HydrophobicContact CD2-CD1 4.32Å
140P98.8Very high98.4Very high35 Ų3552.5 Ų52.523%0.22727%0.272CS..  trans-64.3151.1172.2-2134000112.4M111 V112 L113 T158 E162M111-P140 WeakPolarHBondContact O-CD 3.2Å; V112-P140 HydrophobicContact CG1-CB 4.31Å; V112-P140 HydrophobicContact CG2-CB 4.3Å; V112-P140 HydrophobicContact CG2-CG 4.27Å; L113-P140 PolarHBondContact N-O 3.34Å; P140-T158 HydrophobicContact CB-CG2 3.71Å; P140-T158 HydrophobicContact CG-CG2 3.74Å; P140-E162 HydrophobicContact CG-CG 3.86Å
141F98.8Very high98.4Very high39 Ų3953.1 Ų53.117%0.17128%0.278CS..EExtended strand (participates in β ladder)trans-123132.9170.6170.7-116.6000110.4F82 L113 T127 A130 Q131 A134 E143F82-F141 AromaticContact CE1-CE2 3.94Å; F82-F141 HydrophobicContact CE1-CE2 3.94Å; F82-F141 HydrophobicContact CZ-CE2 4.05Å; L113-F141 HydrophobicContact CB-CD2 4.08Å; L113-F141 HydrophobicContact CD2-CD2 3.86Å; L113-F141 HydrophobicContact CD2-CE2 4.44Å; L113-F141 HydrophobicContact CG-CD2 3.81Å; L113-F141 HydrophobicContact CG-CE2 4.4Å; L113-F141 WeakPolarHBondContact O-CA 3.47Å; L113-F141 WeakPolarHBondContact O-CD2 3.33Å; T127-F141 HydrophobicContact CG2-CE1 4.04Å; A130-F141 HydrophobicContact CB-CD2 4.17Å; A130-F141 HydrophobicContact CB-CE1 3.95Å; A130-F141 HydrophobicContact CB-CE2 3.57Å; A130-F141 HydrophobicContact CB-CZ 3.42Å; A130-F141 VanDerWaalsContact CB-CZ 3.42Å; Q131-F141 HydrophobicContact CB-CD1 4.46Å; Q131-F141 HydrophobicContact CG-CD1 3.49Å; Q131-F141 VanDerWaalsContact CG-CD1 3.49Å; Q131-F141 HydrophobicContact CG-CE1 3.89Å; A134-F141 HydrophobicContact CB-CB 3.61Å; F141-E143 HydrophobicContact CE1-CG 3.74Å; F141-E143 HydrophobicContact CE2-CG 4.28Å; F141-E143 HydrophobicContact CZ-CG 3.38Å
142I98.8Very high98.4Very high28 Ų2848.9 Ų48.914%0.14426%0.258CS..EExtended strand (participates in β ladder)trans-134.8126.8178.1-62.8173.6000108.6V112 L113 V114 G115 T144 D154 T158V112-I142 HydrophobicContact CG1-CD1 4.26Å; V112-I142 HydrophobicContact CG1-CG1 4.44Å; L113-I142 PolarHBondContact O-N 2.99Å; V114-I142 WeakPolarHBondContact CA-O 3.48Å; G115-I142 PolarHBondContact N-O 3.12Å; I142-T144 HydrophobicContact CG2-CG2 3.83Å; I142-D154 HydrophobicContact CD1-CB 4.28Å; I142-D154 WeakPolarHBondContact CD1-O 3.38Å; I142-T158 HydrophobicContact CD1-CG2 4.16Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.23Å
143E98.8Very high98.4Very high38 Ų3847.5 Ų47.518%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-82.3136.5166.3-70.5-162.6165.400110G115 C118 R123 T127 F141G115-E143 CarbonylContact O-C 3.59Å; G115-E143 WeakPolarHBondContact O-CA 3.48Å; C118-E143 HydrophobicContact CB-CB 4.13Å; R123-E143 IonicContact CZ-OE1 3.85Å; R123-E143 IonicContact CZ-OE2 2.78Å; R123-E143 IonicContact NH1-OE1 3.5Å; R123-E143 PolarHBondContact NH1-OE1 3.45Å; R123-E143 IonicContact NH1-OE2 3.85Å; R123-E143 VanDerWaalsContact NH2-CD 3.32Å; R123-E143 IonicContact NH2-OE1 2.89Å; R123-E143 PolarHBondContact NH2-OE1 3.49Å; R123-E143 VanDerWaalsContact NH2-OE1 3.11Å; R123-E143 IonicContact NH2-OE2 3.02Å; R123-E143 PolarHBondContact NH2-OE2 2.85Å; T127-E143 WeakPolarHBondContact CB-OE1 3.42Å; T127-E143 PolarHBondContact OG1-OE1 3.46Å; F141-E143 HydrophobicContact CE1-CG 3.74Å; F141-E143 HydrophobicContact CE2-CG 4.28Å; F141-E143 HydrophobicContact CZ-CG 3.38Å
144T98.8Very high98.4Very high0 Ų050.1 Ų50.10%027%0.265CS..  trans-132.3156.5-176.361.30000112.2V114 G115 N116 K117 C118 I142 Q150 G151 A155V114-T144 HydrophobicContact CG1-CG2 3.69Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.35Å; G115-T144 PolarHBondContact O-N 3.19Å; N116-T144 CarbonylContact C-O 3.58Å; N116-T144 VanDerWaalsContact C-O 3.31Å; N116-T144 VanDerWaalsContact CA-O 3.27Å; N116-T144 WeakPolarHBondContact CA-O 3.34Å; N116-T144 WeakPolarHBondContact CA-OG1 3.38Å; N116-T144 PolarHBondContact OD1-O 2.94Å; N116-T144 PolarHBondContact OD1-OG1 2.93Å; K117-T144 PolarHBondContact N-O 3.01Å; C118-T144 PolarHBondContact N-O 3.32Å; C118-T144 PolarHBondContact SG-O 2.97Å; I142-T144 HydrophobicContact CG2-CG2 3.83Å; T144-Q150 CarbonylContact C-O 3.56Å; T144-Q150 WeakPolarHBondContact CA-O 3.41Å; T144-Q150 WeakPolarHBondContact CB-O 3.26Å; T144-G151 WeakPolarHBondContact CG2-O 3.41Å; T144-A155 HydrophobicContact CG2-CB 4.15Å
145S98.5Very high98.4Very high0 Ų050 Ų500%027%0.265CS..  trans-134.2107.8165.8167.80000107.8D119 K147 T148 R149 Q150D119-S145 WeakPolarHBondContact OD1-CB 3.24Å; D119-S145 PolarHBondContact OD1-OG 2.93Å; S145-K147 PolarHBondContact O-N 3.03Å; S145-K147 PolarHBondContact OG-N 3.29Å; S145-T148 WeakPolarHBondContact CB-OG1 3.3Å; S145-T148 PolarHBondContact O-N 3.06Å; S145-T148 PolarHBondContact OG-N 2.83Å; S145-T148 PolarHBondContact OG-OG1 2.87Å; S145-R149 CarbonylContact O-C 3.59Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.47Å; S145-R149 PolarHBondContact O-N 3.01Å; S145-Q150 PolarHBondContact N-O 3.42Å; S145-Q150 PolarHBondContact O-N 3.45Å
146A98.1Very high98.4Very high3 Ų341.7 Ų41.73%0.02523%0.233CC..THydrogen-bonded Turntrans-57-29.617100000111.9A18 L19 Q22 F28 N116A18-A146 HydrophobicContact CB-CB 3.64Å; L19-A146 HydrophobicContact CD2-CB 3.95Å; L19-A146 HydrophobicContact CG-CB 4.23Å; Q22-A146 WeakPolarHBondContact CG-O 3.47Å; Q22-A146 PolarHBondContact NE2-O 3Å; F28-A146 HydrophobicContact CD2-CB 4.14Å; F28-A146 WeakPolarHBondContact CD2-O 3.37Å; F28-A146 HydrophobicContact CE2-CB 4.13Å; N116-A146 PolarHBondContact OD1-N 2.82Å
147K97.6Very high98.4Very high119 Ų11939.7 Ų39.752%0.51721%0.213SC..THydrogen-bonded Turntrans-70.2-46.1179.7-174.4175.3-176.2171.70113.1F28 D119 S145F28-K147 HydrophobicContact CD1-CB 4.38Å; F28-K147 HydrophobicContact CD1-CG 4.12Å; F28-K147 HydrophobicContact CD2-CB 4.18Å; F28-K147 HydrophobicContact CE1-CB 4.18Å; F28-K147 HydrophobicContact CE1-CD 4.38Å; F28-K147 HydrophobicContact CE1-CG 3.98Å; F28-K147 HydrophobicContact CE2-CB 3.95Å; F28-K147 HydrophobicContact CG-CB 4.38Å; F28-K147 HydrophobicContact CZ-CB 3.96Å; F28-K147 HydrophobicContact CZ-CG 4.24Å; D119-K147 WeakPolarHBondContact OD2-CD 3.47Å; S145-K147 PolarHBondContact O-N 3.03Å; S145-K147 PolarHBondContact OG-N 3.29Å
148T97.5Very high98.5Very high84 Ų8439 Ų3952%0.51521%0.213SC..THydrogen-bonded Turntrans-96.9-2.1-176.964.50000113.4D119 S145 Q150D119-T148 HydrophobicContact CB-CG2 4.13Å; S145-T148 WeakPolarHBondContact CB-OG1 3.3Å; S145-T148 PolarHBondContact O-N 3.06Å; S145-T148 PolarHBondContact OG-N 2.83Å; S145-T148 PolarHBondContact OG-OG1 2.87Å; T148-Q150 PolarHBondContact O-N 3.09Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.05Å; T148-Q150 PolarHBondContact OG1-N 3.42Å
149R97.8Very high98.5Very high65 Ų6535.9 Ų35.925%0.24518%0.181CC..  trans66.42.2-171.1-159.4-173.3-179.585.53.8114.6Q22 N26 S145 G151 V152 D153Q22-R149 HydrophobicContact CG-CB 4.24Å; Q22-R149 HydrophobicContact CG-CG 3.95Å; Q22-R149 PolarHBondContact O-NH1 3.09Å; N26-R149 PolarHBondContact OD1-NH1 3.41Å; N26-R149 PolarHBondContact OD1-NH2 2.99Å; S145-R149 CarbonylContact O-C 3.59Å; S145-R149 VanDerWaalsContact O-CA 3.29Å; S145-R149 WeakPolarHBondContact O-CA 3.47Å; S145-R149 PolarHBondContact O-N 3.01Å; R149-G151 PolarHBondContact O-N 3.27Å; R149-V152 HydrophobicContact CG-CB 4.28Å; R149-V152 HydrophobicContact CG-CG2 4.39Å; R149-V152 PolarHBondContact O-N 2.6Å; R149-D153 IonicContact CZ-OD2 2.69Å; R149-D153 IonicContact NE-OD2 2.7Å; R149-D153 PolarHBondContact NE-OD2 3.43Å; R149-D153 IonicContact NH2-OD1 3.83Å; R149-D153 PolarHBondContact NH2-OD1 3.23Å; R149-D153 IonicContact NH2-OD2 2.8Å; R149-D153 PolarHBondContact NH2-OD2 2.99Å
150Q98.6Very high98.5Very high107 Ų10734.6 Ų34.650%0.518%0.175SC..THydrogen-bonded Turntrans-55.1126.8177.7-178.4-178.8-38.700111C118 T144 S145 T148 V152C118-Q150 PolarHBondContact SG-NE2 3.5Å; T144-Q150 CarbonylContact C-O 3.56Å; T144-Q150 WeakPolarHBondContact CA-O 3.41Å; T144-Q150 WeakPolarHBondContact CB-O 3.26Å; S145-Q150 PolarHBondContact N-O 3.42Å; S145-Q150 PolarHBondContact O-N 3.45Å; T148-Q150 PolarHBondContact O-N 3.09Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.05Å; T148-Q150 PolarHBondContact OG1-N 3.42Å; Q150-V152 PolarHBondContact O-N 3.05Å
151G98.5Very high98.5Very high13 Ų1336.6 Ų36.613%0.13418%0.177CC..THydrogen-bonded Turntrans66.62.3174.500000115.8T144 R149 D154 A155T144-G151 WeakPolarHBondContact CG2-O 3.41Å; R149-G151 PolarHBondContact O-N 3.27Å; G151-D154 PolarHBondContact O-N 3.15Å; G151-A155 WeakPolarHBondContact O-CB 3.42Å; G151-A155 PolarHBondContact O-N 3.43Å
152V98.6Very high98.5Very high0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-63-59.3-175.7176.50000110.4L19 Q22 L23 R149 Q150 D154 A155 F156L19-V152 HydrophobicContact CD2-CG2 3.78Å; Q22-V152 HydrophobicContact CB-CG1 4.34Å; Q22-V152 HydrophobicContact CG-CG1 4.21Å; Q22-V152 HydrophobicContact CG-CG2 4.06Å; L23-V152 HydrophobicContact CB-CG1 3.98Å; R149-V152 HydrophobicContact CG-CB 4.28Å; R149-V152 HydrophobicContact CG-CG2 4.39Å; R149-V152 PolarHBondContact O-N 2.6Å; Q150-V152 PolarHBondContact O-N 3.05Å; V152-D154 VanDerWaalsContact C-N 3.28Å; V152-D154 PolarHBondContact O-N 3.19Å; V152-A155 PolarHBondContact O-N 2.97Å; V152-F156 HydrophobicContact CG1-CE2 4.41Å; V152-F156 VanDerWaalsContact O-CD2 3.31Å; V152-F156 WeakPolarHBondContact O-CD2 3.4Å
153D98.4Very high98.5Very high36 Ų3635.2 Ų35.219%0.19317%0.171CC..Hα-helixtrans-57.9-42.2177.1-65.4-93.4000111.3L23 R149 A155 F156 Y157L23-D153 WeakPolarHBondContact CD1-OD1 3.33Å; R149-D153 IonicContact CZ-OD2 2.69Å; R149-D153 IonicContact NE-OD2 2.7Å; R149-D153 PolarHBondContact NE-OD2 3.43Å; R149-D153 IonicContact NH2-OD1 3.83Å; R149-D153 PolarHBondContact NH2-OD1 3.23Å; R149-D153 IonicContact NH2-OD2 2.8Å; R149-D153 PolarHBondContact NH2-OD2 2.99Å; D153-A155 VanDerWaalsContact C-N 3.35Å; D153-A155 PolarHBondContact O-N 2.84Å; D153-F156 PolarHBondContact O-N 2.94Å; D153-Y157 HydrophobicContact CB-CD2 4.33Å; D153-Y157 HydrophobicContact CB-CE2 3.9Å; D153-Y157 WeakPolarHBondContact O-CB 3.44Å; D153-Y157 WeakPolarHBondContact O-CD1 3.37Å; D153-Y157 PolarHBondContact O-N 3.41Å; D153-Y157 PolarHBondContact OD1-OH 2.77Å
154D98.6Very high98.5Very high92 Ų9234.9 Ų34.949%0.49217%0.168SC..Hα-helixtrans-60.9-38.9-179.4-70.2-28.2000113.2I142 G151 V152 T158I142-D154 HydrophobicContact CD1-CB 4.28Å; I142-D154 WeakPolarHBondContact CD1-O 3.38Å; G151-D154 PolarHBondContact O-N 3.15Å; V152-D154 VanDerWaalsContact C-N 3.28Å; V152-D154 PolarHBondContact O-N 3.19Å; D154-T158 WeakPolarHBondContact O-CB 3.28Å; D154-T158 PolarHBondContact O-N 3.15Å; D154-T158 PolarHBondContact O-OG1 3.4Å
155A98.9Very high98.4Very high1 Ų140.9 Ų40.91%0.00819%0.194CC..Hα-helixtrans-60.9-52.6177.800000111.5L79 V114 T144 G151 V152 D153 L159L79-A155 HydrophobicContact CD1-CB 4.39Å; L79-A155 HydrophobicContact CD2-CB 4.46Å; V114-A155 HydrophobicContact CG2-CB 4.08Å; T144-A155 HydrophobicContact CG2-CB 4.15Å; G151-A155 WeakPolarHBondContact O-CB 3.42Å; G151-A155 PolarHBondContact O-N 3.43Å; V152-A155 PolarHBondContact O-N 2.97Å; D153-A155 VanDerWaalsContact C-N 3.35Å; D153-A155 PolarHBondContact O-N 2.84Å; A155-L159 PolarHBondContact O-N 2.84Å; A155-L159 VanDerWaalsContact O-N 3.12Å
156F98.7Very high98.3Very high0 Ų042.7 Ų42.70%020%0.203CC..Hα-helixtrans-67.7-40.1179.9-70.8-88.2000112L6 V8 L19 L23 I55 L79 V152 D153 L159 V160L6-F156 HydrophobicContact CD1-CD1 3.92Å; V8-F156 HydrophobicContact CG2-CE1 3.99Å; V8-F156 HydrophobicContact CG2-CZ 4.22Å; L19-F156 HydrophobicContact CB-CE2 4.39Å; L23-F156 HydrophobicContact CB-CD2 4.31Å; L23-F156 HydrophobicContact CB-CE2 4.13Å; L23-F156 HydrophobicContact CD2-CB 4.03Å; L23-F156 HydrophobicContact CD2-CD1 3.9Å; L23-F156 HydrophobicContact CD2-CD2 3.6Å; L23-F156 HydrophobicContact CD2-CE1 4.22Å; L23-F156 HydrophobicContact CD2-CE2 3.94Å; L23-F156 HydrophobicContact CD2-CG 3.58Å; L23-F156 HydrophobicContact CD2-CZ 4.24Å; L23-F156 HydrophobicContact CG-CD2 4.35Å; I55-F156 HydrophobicContact CD1-CD1 3.92Å; I55-F156 HydrophobicContact CD1-CE1 3.75Å; I55-F156 HydrophobicContact CD1-CZ 4.5Å; I55-F156 HydrophobicContact CG1-CE1 4.37Å; I55-F156 HydrophobicContact CG2-CE1 3.98Å; L79-F156 HydrophobicContact CD1-CD1 3.68Å; L79-F156 HydrophobicContact CD1-CD2 4.07Å; L79-F156 HydrophobicContact CD1-CE1 3.54Å; L79-F156 HydrophobicContact CD1-CE2 3.95Å; L79-F156 HydrophobicContact CD1-CG 3.95Å; L79-F156 HydrophobicContact CD1-CZ 3.69Å; V152-F156 HydrophobicContact CG1-CE2 4.41Å; V152-F156 VanDerWaalsContact O-CD2 3.31Å; V152-F156 WeakPolarHBondContact O-CD2 3.4Å; D153-F156 PolarHBondContact O-N 2.94Å; F156-L159 PolarHBondContact O-N 3.02Å; F156-V160 PolarHBondContact O-N 3.46Å; F156-V160 VanDerWaalsContact O-N 3.11Å
157Y98.6Very high98.2Very high42 Ų4246 Ų4617%0.16522%0.217CC..Hα-helixtrans-71.1-36.7-179.1-63.5-5.2000112V44 I46 L53 D153 L159 V160 R161V44-Y157 HydrophobicContact CB-CE1 4.2Å; V44-Y157 HydrophobicContact CG1-CE1 4.16Å; V44-Y157 HydrophobicContact CG2-CE1 4.08Å; I46-Y157 HydrophobicContact CD1-CD1 3.37Å; I46-Y157 HydrophobicContact CD1-CE1 3.97Å; I46-Y157 HydrophobicContact CD1-CG 3.86Å; I46-Y157 HydrophobicContact CG1-CD1 3.65Å; I46-Y157 HydrophobicContact CG1-CD2 4.27Å; I46-Y157 HydrophobicContact CG1-CE1 4.02Å; I46-Y157 HydrophobicContact CG1-CG 3.8Å; L53-Y157 HydrophobicContact CD1-CE1 4.41Å; D153-Y157 HydrophobicContact CB-CD2 4.33Å; D153-Y157 HydrophobicContact CB-CE2 3.9Å; D153-Y157 WeakPolarHBondContact O-CB 3.44Å; D153-Y157 WeakPolarHBondContact O-CD1 3.37Å; D153-Y157 PolarHBondContact O-N 3.41Å; D153-Y157 PolarHBondContact OD1-OH 2.77Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 2.95Å; Y157-V160 PolarHBondContact O-N 3.41Å; Y157-R161 WeakPolarHBondContact O-CG 3.42Å; Y157-R161 PolarHBondContact O-N 3.43Å
158T98.9Very high98Very high25 Ų2545.5 Ų45.515%0.15322%0.216CC..Hα-helixtrans-61.7-41.2172.1-61.70000110.9V112 P140 I142 D154 V160 R161 E162V112-T158 HydrophobicContact CG2-CG2 3.92Å; P140-T158 HydrophobicContact CB-CG2 3.71Å; P140-T158 HydrophobicContact CG-CG2 3.74Å; I142-T158 HydrophobicContact CD1-CG2 4.16Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.23Å; D154-T158 WeakPolarHBondContact O-CB 3.28Å; D154-T158 PolarHBondContact O-N 3.15Å; D154-T158 PolarHBondContact O-OG1 3.4Å; T158-V160 VanDerWaalsContact C-N 3.35Å; T158-V160 PolarHBondContact O-N 3.2Å; T158-R161 WeakPolarHBondContact O-CB 3.1Å; T158-R161 PolarHBondContact O-N 2.98Å; T158-R161 VanDerWaalsContact O-N 3.13Å; T158-E162 WeakPolarHBondContact O-CG 3.41Å; T158-E162 PolarHBondContact O-N 3.23Å
159L98.9Very high97.8Very high0 Ų046.7 Ų46.70%021%0.214CC..Hα-helixtrans-61.8-41.7176-177.561.1000112.5L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163L6-L159 HydrophobicContact CB-CD2 4.16Å; L6-L159 HydrophobicContact CD1-CD2 4.39Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.12Å; L6-L159 HydrophobicContact CG-CD2 4.35Å; L79-L159 HydrophobicContact CD2-CB 3.95Å; L79-L159 HydrophobicContact CD2-CD2 3.81Å; L79-L159 HydrophobicContact CD2-CG 4.4Å; L79-L159 HydrophobicContact CG-CD2 3.84Å; P110-L159 HydrophobicContact CB-CD1 4.42Å; V112-L159 HydrophobicContact CG2-CB 3.95Å; V112-L159 HydrophobicContact CG2-CD1 4.15Å; A155-L159 PolarHBondContact O-N 2.84Å; A155-L159 VanDerWaalsContact O-N 3.12Å; F156-L159 PolarHBondContact O-N 3.02Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 2.95Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.25Å; L159-E162 PolarHBondContact O-N 3.13Å; L159-E162 VanDerWaalsContact O-N 3.17Å; L159-I163 HydrophobicContact CG-CD1 4.37Å; L159-I163 WeakPolarHBondContact O-CG1 3.28Å; L159-I163 PolarHBondContact O-N 3.42Å
160V98.7Very high97.4Very high0 Ų049.2 Ų49.20%023%0.23CC..Hα-helixtrans-59.3-41.9173.9172.40000111.3Y4 L6 I46 L53 F156 Y157 T158 E162 I163 R164Y4-V160 HydrophobicContact CD1-CG1 4.46Å; Y4-V160 HydrophobicContact CD2-CG1 3.83Å; Y4-V160 HydrophobicContact CD2-CG2 4.33Å; Y4-V160 HydrophobicContact CE1-CG1 4.33Å; Y4-V160 HydrophobicContact CE2-CG1 3.7Å; Y4-V160 HydrophobicContact CG-CG1 4.23Å; Y4-V160 HydrophobicContact CG-CG2 4.38Å; L6-V160 HydrophobicContact CD1-CG2 4.29Å; L6-V160 HydrophobicContact CD2-CG2 4.43Å; I46-V160 HydrophobicContact CD1-CB 3.8Å; I46-V160 HydrophobicContact CD1-CG1 3.88Å; I46-V160 HydrophobicContact CD1-CG2 3.71Å; L53-V160 HydrophobicContact CD2-CG2 3.59Å; F156-V160 PolarHBondContact O-N 3.46Å; F156-V160 VanDerWaalsContact O-N 3.11Å; Y157-V160 PolarHBondContact O-N 3.41Å; T158-V160 VanDerWaalsContact C-N 3.35Å; T158-V160 PolarHBondContact O-N 3.2Å; V160-E162 VanDerWaalsContact C-N 3.34Å; V160-E162 PolarHBondContact O-N 3.18Å; V160-I163 PolarHBondContact O-N 3.01Å; V160-R164 WeakPolarHBondContact O-CG 3.24Å; V160-R164 PolarHBondContact O-N 3.36Å
161R98.7Very high97Very high76 Ų7647.6 Ų47.629%0.28723%0.231SC..Hα-helixtrans-62.7-39.6175.6-66.9174.2-171.8119.1-1.9112.1I46 D47 Y157 T158 L159 R164 K165I46-R161 HydrophobicContact CG2-CG 4.48Å; D47-R161 IonicContact OD1-CZ 3.74Å; D47-R161 IonicContact OD1-NE 3.14Å; D47-R161 PolarHBondContact OD1-NE 3.29Å; D47-R161 VanDerWaalsContact OD1-NE 3.14Å; D47-R161 IonicContact OD1-NH2 3.85Å; D47-R161 PolarHBondContact OD1-NH2 3.18Å; D47-R161 WeakPolarHBondContact OD2-CG 3.41Å; D47-R161 IonicContact OD2-CZ 3.35Å; D47-R161 IonicContact OD2-NE 2.89Å; D47-R161 PolarHBondContact OD2-NE 3.02Å; D47-R161 IonicContact OD2-NH2 3.01Å; Y157-R161 WeakPolarHBondContact O-CG 3.42Å; Y157-R161 PolarHBondContact O-N 3.43Å; T158-R161 WeakPolarHBondContact O-CB 3.1Å; T158-R161 PolarHBondContact O-N 2.98Å; T158-R161 VanDerWaalsContact O-N 3.13Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.25Å; R161-R164 PolarHBondContact O-N 3.04Å; R161-K165 WeakPolarHBondContact O-CG 3.43Å; R161-K165 PolarHBondContact O-N 2.91Å
162E98.7Very high96.4Very high36 Ų3653 Ų5317%0.16825%0.251CS..Hα-helixtrans-64.8-41.1174.9-66.2-52.111000111.9P110 V112 P140 T158 L159 V160 R164 K165 H166P110-E162 HydrophobicContact CB-CB 4.15Å; V112-E162 HydrophobicContact CG2-CG 4.48Å; P140-E162 HydrophobicContact CG-CG 3.86Å; T158-E162 WeakPolarHBondContact O-CG 3.41Å; T158-E162 PolarHBondContact O-N 3.23Å; L159-E162 PolarHBondContact O-N 3.13Å; L159-E162 VanDerWaalsContact O-N 3.17Å; V160-E162 VanDerWaalsContact C-N 3.34Å; V160-E162 PolarHBondContact O-N 3.18Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.03Å; E162-K165 PolarHBondContact O-N 2.94Å; E162-K165 WeakPolarHBondContact OE1-CD 3.05Å; E162-K165 WeakPolarHBondContact OE1-CE 3.1Å; E162-K165 IonicContact OE1-NZ 3.22Å; E162-K165 PolarHBondContact OE1-NZ 3.06Å; E162-H166 WeakPolarHBondContact O-CB 3.24Å; E162-H166 PolarHBondContact O-N 2.79Å
163I98.6Very high95.4Very high2 Ų256.5 Ų56.51%0.0127%0.269CS..Hα-helixtrans-61.4-43.7174.4-63.3165.8000110.9Y4 L6 E76 P110 L159 V160 H166 K167Y4-I163 HydrophobicContact CD1-CB 4.22Å; Y4-I163 HydrophobicContact CD1-CD1 4.28Å; Y4-I163 HydrophobicContact CD1-CG2 3.75Å; Y4-I163 HydrophobicContact CE1-CB 4.45Å; Y4-I163 HydrophobicContact CE1-CG2 3.96Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å; E76-I163 HydrophobicContact CB-CD1 4.11Å; E76-I163 HydrophobicContact CB-CG2 4.33Å; P110-I163 HydrophobicContact CB-CB 4.47Å; P110-I163 HydrophobicContact CB-CG1 3.68Å; P110-I163 HydrophobicContact CG-CB 4.47Å; P110-I163 HydrophobicContact CG-CG1 4.04Å; L159-I163 HydrophobicContact CG-CD1 4.37Å; L159-I163 WeakPolarHBondContact O-CG1 3.28Å; L159-I163 PolarHBondContact O-N 3.42Å; V160-I163 PolarHBondContact O-N 3.01Å; I163-H166 PolarHBondContact O-N 3.34Å; I163-K167 HydrophobicContact CG2-CD 4.1Å; I163-K167 HydrophobicContact CG2-CG 4.39Å; I163-K167 WeakPolarHBondContact O-CG 3.43Å; I163-K167 PolarHBondContact O-N 2.84Å
164R98Very high94.3Very high32 Ų3256.6 Ų56.612%0.12128%0.278CS..Hα-helixtrans-59-51175.9-72.9171.9174170.4-2111.4Y4 I46 D47 E49 V160 R161 E162 H166 K167 E168Y4-R164 HydrophobicContact CE1-CG 4.2Å; Y4-R164 WeakPolarHBondContact OH-CG 2.82Å; Y4-R164 PolarHBondContact OH-NE 3.17Å; I46-R164 PolarHBondContact O-NH1 2.79Å; I46-R164 PolarHBondContact O-NH2 3.38Å; D47-R164 IonicContact OD2-NH1 2.99Å; E49-R164 IonicContact OE1-NH2 2.79Å; E49-R164 PolarHBondContact OE1-NH2 3.4Å; E49-R164 IonicContact OE2-CZ 3.93Å; E49-R164 IonicContact OE2-NE 3.59Å; E49-R164 IonicContact OE2-NH2 3.73Å; E49-R164 PolarHBondContact OE2-NH2 2.68Å; V160-R164 WeakPolarHBondContact O-CG 3.24Å; V160-R164 PolarHBondContact O-N 3.36Å; R161-R164 PolarHBondContact O-N 3.04Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.03Å; R164-H166 VanDerWaalsContact C-N 3.31Å; R164-H166 PolarHBondContact O-N 2.83Å; R164-K167 PolarHBondContact O-N 3.06Å; R164-E168 WeakPolarHBondContact O-CG 3.05Å; R164-E168 PolarHBondContact O-N 3.47Å
165K97.7Very high93Very high125 Ų12559.3 Ų59.354%0.54329%0.286SS..Hα-helixtrans-56.1-44.3176.9-72.4173.8-171.3169.70112R161 E162 E168 K169R161-K165 WeakPolarHBondContact O-CG 3.43Å; R161-K165 PolarHBondContact O-N 2.91Å; E162-K165 PolarHBondContact O-N 2.94Å; E162-K165 WeakPolarHBondContact OE1-CD 3.05Å; E162-K165 WeakPolarHBondContact OE1-CE 3.1Å; E162-K165 IonicContact OE1-NZ 3.22Å; E162-K165 PolarHBondContact OE1-NZ 3.06Å; K165-E168 PolarHBondContact O-N 3.48Å; K165-K169 PolarHBondContact O-N 3.14Å
166H97.2Very high91.6Very high38 Ų3865.8 Ų65.818%0.17631%0.314CS..Hα-helixtrans-64.2-47178.7179.2-99.4000112.1D108 P110 E162 I163 R164 E168 K169 M170D108-H166 PolarHBondContact O-NE2 3.41Å; D108-H166 VanDerWaalsContact O-NE2 3.13Å; D108-H166 IonicContact OD1-CD2 3.84Å; D108-H166 IonicContact OD2-CD2 3.33Å; P110-H166 HydrophobicContact CG-CB 3.63Å; E162-H166 WeakPolarHBondContact O-CB 3.24Å; E162-H166 PolarHBondContact O-N 2.79Å; I163-H166 PolarHBondContact O-N 3.34Å; R164-H166 VanDerWaalsContact C-N 3.31Å; R164-H166 PolarHBondContact O-N 2.83Å; H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 PolarHBondContact O-N 3.44Å; H166-K169 WeakPolarHBondContact O-CB 3.37Å; H166-K169 PolarHBondContact O-N 3.33Å; H166-M170 PolarHBondContact CE1-SD 2.79Å; H166-M170 WeakPolarHBondContact O-CG 3.22Å; H166-M170 PolarHBondContact O-N 2.63Å
167K95.3Very high90Very high74 Ų7473.6 Ų73.632%0.32235%0.348SS..Hα-helixtrans-60.3-38.7176.1-74.2-179.4177.8179.30112.4E76 I163 R164 S171E76-K167 WeakPolarHBondContact OE1-CE 3.24Å; E76-K167 IonicContact OE1-NZ 2.68Å; E76-K167 PolarHBondContact OE1-NZ 3.11Å; I163-K167 HydrophobicContact CG2-CD 4.1Å; I163-K167 HydrophobicContact CG2-CG 4.39Å; I163-K167 WeakPolarHBondContact O-CG 3.43Å; I163-K167 PolarHBondContact O-N 2.84Å; R164-K167 PolarHBondContact O-N 3.06Å; K167-S171 WeakPolarHBondContact O-CB 3.33Å; K167-S171 PolarHBondContact O-N 3.07Å; K167-S171 VanDerWaalsContact O-N 3.08Å; K167-S171 PolarHBondContact O-OG 2.92Å
168E94.4Very high88.4Confident108 Ų10879.1 Ų79.151%0.50537%0.373SS..Hα-helixtrans-64-43.5174.7-75.1-177.5-162.300112.5R164 K165 H166 S171 K172R164-E168 WeakPolarHBondContact O-CG 3.05Å; R164-E168 PolarHBondContact O-N 3.47Å; K165-E168 PolarHBondContact O-N 3.48Å; H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 PolarHBondContact O-N 3.44Å; E168-S171 PolarHBondContact O-N 3.24Å; E168-K172 WeakPolarHBondContact O-CG 3.17Å; E168-K172 PolarHBondContact O-N 2.89Å; E168-K172 IonicContact OE2-NZ 4Å
169K92.7Very high86.6Confident109 Ų10985.6 Ų85.647%0.47440%0.399SS..Hα-helixtrans-60.9-49.8177.6-173.3-177.7174.8-172.20111.1D108 K165 H166 S171 K172 D173D108-K169 IonicContact OD2-NZ 3.29Å; D108-K169 PolarHBondContact OD2-NZ 2.96Å; K165-K169 PolarHBondContact O-N 3.14Å; H166-K169 WeakPolarHBondContact O-CB 3.37Å; H166-K169 PolarHBondContact O-N 3.33Å; K169-S171 VanDerWaalsContact C-N 3.28Å; K169-S171 PolarHBondContact O-N 3.46Å; K169-K172 PolarHBondContact O-N 3.49Å; K169-K172 VanDerWaalsContact O-N 3.13Å; K169-D173 PolarHBondContact O-N 2.91Å
170M89.5Confident84.8Confident117 Ų11793.3 Ų93.358%0.57643%0.432SS*.Hα-helixtrans-57.9-40.7176.6-68.5-174.677.500112.4H166 D173 G174H166-M170 PolarHBondContact CE1-SD 2.79Å; H166-M170 WeakPolarHBondContact O-CG 3.22Å; H166-M170 PolarHBondContact O-N 2.63Å; M170-D173 PolarHBondContact O-N 3.39Å; M170-G174 PolarHBondContact O-N 3.03Å
171S89.3Confident83.1Confident74 Ų7498 Ų9852%0.51746%0.461SS..Hα-helixtrans-65.9-37.9178.1-640000112.6K167 E168 K169 K175K167-S171 WeakPolarHBondContact O-CB 3.33Å; K167-S171 PolarHBondContact O-N 3.07Å; K167-S171 VanDerWaalsContact O-N 3.08Å; K167-S171 PolarHBondContact O-OG 2.92Å; E168-S171 PolarHBondContact O-N 3.24Å; K169-S171 VanDerWaalsContact C-N 3.28Å; K169-S171 PolarHBondContact O-N 3.46Å; S171-K175 WeakPolarHBondContact O-CG 3.1Å; S171-K175 PolarHBondContact O-N 2.83Å
172K85.4Confident81.3Confident127 Ų127103 Ų10355%0.55249%0.485SS*.Hα-helixtrans-68.9-40.3176.3-72.7172-174.1167.20111.5E168 K169 K175 K176E168-K172 WeakPolarHBondContact O-CG 3.17Å; E168-K172 PolarHBondContact O-N 2.89Å; E168-K172 IonicContact OE2-NZ 4Å; K169-K172 PolarHBondContact O-N 3.49Å; K169-K172 VanDerWaalsContact O-N 3.13Å; K172-K175 PolarHBondContact O-N 3.2Å; K172-K176 PolarHBondContact O-N 2.6Å
173D79Confident79.5Confident72 Ų72106.5 Ų106.539%0.38551%0.509SS..Hα-helixtrans-70.8-36.8-179.9-72.4-20.2000112.7K169 M170 K175 K176 K177K169-D173 PolarHBondContact O-N 2.91Å; M170-D173 PolarHBondContact O-N 3.39Å; D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 3.33Å; D173-K176 PolarHBondContact O-N 3.3Å; D173-K177 PolarHBondContact O-N 3.3Å
174G74.7Confident77.6Confident38 Ų38115.3 Ų115.339%0.39255%0.547SS..Hα-helixtrans-59.5-40.2170.400000112.8M170 K178M170-G174 PolarHBondContact O-N 3.03Å; G174-K178 PolarHBondContact O-N 3.36Å
175K71.1Confident75.6Confident150 Ų150119 Ų11965%0.65258%0.577SS**Hα-helixtrans-68-40175.5-73.5177.9-179178.30112.4S171 K172 D173 K178 K179S171-K175 WeakPolarHBondContact O-CG 3.1Å; S171-K175 PolarHBondContact O-N 2.83Å; K172-K175 PolarHBondContact O-N 3.2Å; D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 3.33Å; K175-K178 PolarHBondContact O-N 3.06Å; K175-K179 PolarHBondContact O-N 3.16Å; K175-K179 VanDerWaalsContact O-N 3.1Å
176K68.8Low73.7Confident137 Ų137120.3 Ų120.360%0.59659%0.588SS**Hα-helixtrans-63.9-42.8176.5-74.1-179.7-177.7173.30112.2K172 D173 K178 K179 K180K172-K176 PolarHBondContact O-N 2.6Å; D173-K176 PolarHBondContact O-N 3.3Å; K176-K178 PolarHBondContact O-N 3.18Å; K176-K179 PolarHBondContact O-N 3.27Å; K176-K180 PolarHBondContact O-N 3.48Å; K176-K180 VanDerWaalsContact O-N 3.17Å
177K66.5Low71.9Confident163 Ų163126 Ų12671%0.70962%0.618SS**Hα-helixtrans-61-43.5175.9-74.1-176.3178.9179.50111.8D173 K179 K180 T181D173-K177 PolarHBondContact O-N 3.3Å; K177-K179 PolarHBondContact O-N 3.34Å; K177-K180 PolarHBondContact O-N 3.5Å; K177-T181 PolarHBondContact O-N 3.09Å; K177-T181 PolarHBondContact O-OG1 2.92Å
178K64.3Low69.4Low159 Ų159134.1 Ų134.169%0.69166%0.66SS**Hα-helixtrans-64.8-31.8176-74.1-175.4178.8-176.90114.1G174 K175 K176 T181G174-K178 PolarHBondContact O-N 3.36Å; K175-K178 PolarHBondContact O-N 3.06Å; K176-K178 PolarHBondContact O-N 3.18Å; K178-T181 PolarHBondContact O-OG1 2.75Å; K178-T181 VanDerWaalsContact O-OG1 3.09Å
179K60.8Low68.2Low161 Ų161135.5 Ų135.570%0.767%0.668SS**Hα-helixtrans-70.9-41.9175-78.7-171176.6-173.50112.1K175 K176 K177 T181 K182 T183K175-K179 PolarHBondContact O-N 3.16Å; K175-K179 VanDerWaalsContact O-N 3.1Å; K176-K179 PolarHBondContact O-N 3.27Å; K177-K179 PolarHBondContact O-N 3.34Å; K179-T181 VanDerWaalsContact C-N 3.35Å; K179-T181 PolarHBondContact O-N 3.18Å; K179-K182 PolarHBondContact O-N 3.13Å; K179-T183 PolarHBondContact O-OG1 3.26Å
180K60.8Low66.9Low162 Ų162136.8 Ų136.870%0.70468%0.678SS**Hα-helixtrans-65.4-33.5-179.8-75.7-168.7176.5-174.80113.6K176 K177 T183K176-K180 PolarHBondContact O-N 3.48Å; K176-K180 VanDerWaalsContact O-N 3.17Å; K177-K180 PolarHBondContact O-N 3.5Å; K180-T183 PolarHBondContact O-OG1 3.12Å; K180-T183 VanDerWaalsContact O-OG1 3.09Å
181T63.2Low65.6Low98 Ų98137.9 Ų137.960%0.60168%0.684SS**Hα-helixtrans-71.2-33177.246.40000112.7K177 K178 K179 T183 K184K177-T181 PolarHBondContact O-N 3.09Å; K177-T181 PolarHBondContact O-OG1 2.92Å; K178-T181 PolarHBondContact O-OG1 2.75Å; K178-T181 VanDerWaalsContact O-OG1 3.09Å; K179-T181 VanDerWaalsContact C-N 3.35Å; K179-T181 PolarHBondContact O-N 3.18Å; T181-T183 VanDerWaalsContact C-N 3.34Å; T181-T183 PolarHBondContact O-N 3.16Å; T181-K184 PolarHBondContact O-N 2.75Å
182K60.9Low64.2Low181 Ų181141.7 Ų141.779%0.78769%0.694SS**Hα-helixtrans-69.5-26.2178-75-168.5174.4-167.40114.3K179K179-K182 PolarHBondContact O-N 3.13Å
183T61.5Low62.9Low109 Ų109142.6 Ų142.667%0.66970%0.702SS**THydrogen-bonded Turntrans-85.3-3.6179.334.40000114.9K179 K180 T181K179-T183 PolarHBondContact O-OG1 3.26Å; K180-T183 PolarHBondContact O-OG1 3.12Å; K180-T183 VanDerWaalsContact O-OG1 3.09Å; T181-T183 VanDerWaalsContact C-N 3.34Å; T181-T183 PolarHBondContact O-N 3.16Å
184K59Low61.9Low187 Ų187147.3 Ų147.381%0.81372%0.724SS**THydrogen-bonded Turntrans-983.4-177.4-88.6-169171.6-168.70115.3T181 I186T181-K184 PolarHBondContact O-N 2.75Å; K184-I186 PolarHBondContact O-N 3.15Å
185C55.5Low60.9Low110 Ų110155.1 Ų155.174%0.74375%0.747SS**  trans-91.985.5167.8-72.50000110
186I58.5Low60.2Low153 Ų153155.5 Ų155.579%0.78576%0.755SS**  trans-109.6104.6153.2-61.3176.1000104.2K184K184-I186 PolarHBondContact O-N 3.15Å
187I59Low59.4Low157 Ų157157.1 Ų157.181%0.80577%0.768SS**  trans-81.9120.8171.7-64.7169.6000105.7
188M43.3Very low58.8Low245 Ų245156.5 Ų156.5100%1.20777%0.773SS**  trans-80.10158-75.6-177.266.800109.4

Retrieved 188 of 188 residues in 98.4 ms (Link to these results)

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