A0A077ZNZ8_TRITR Loading...

Adh short domain containing protein

Putative oxidoreductase.

AlphaFold DB , UniProt , Accession A0A077ZNZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 262 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
1M90.3Very high97.2Very high83 Ų8338.5 Ų38.541%0.40920%0.202SC..  0132.60172.6-177.1-72.900108.1L3 K6 V86M1-L3 HydrophobicContact CG-CD2 4.25Å; M1-L3 HydrophobicContact SD-CD2 4.14Å; M1-K6 HydrophobicContact CG-CG 4.39Å; M1-K6 HydrophobicContact SD-CD 4.25Å; M1-K6 HydrophobicContact SD-CG 4.27Å; M1-V86 HydrophobicContact SD-CG2 4.37Å
2D93.6Very high97.3Very high115 Ų11536.8 Ų36.862%0.61520%0.201SC*.  trans-71.4133.4161.8-177.2-1.5000107.9T4 K6D2-T4 WeakPolarHBondContact OD1-CB 3.26Å; D2-T4 PolarHBondContact OD1-N 2.89Å; D2-T4 PolarHBondContact OD1-OG1 3.49Å; D2-T4 PolarHBondContact OD2-OG1 2.87Å; D2-K6 VanDerWaalsContact O-CG 3.26Å; D2-K6 WeakPolarHBondContact O-CG 3.44Å
3L97.7Very high97.3Very high2 Ų233.9 Ų33.91%0.0119%0.185CC..  trans-93-1.9-178.4-66-172.6000113.2M1 D5 K6 R28 G29 A30 V221 M224M1-L3 HydrophobicContact CG-CD2 4.25Å; M1-L3 HydrophobicContact SD-CD2 4.14Å; L3-D5 PolarHBondContact O-N 3.12Å; L3-K6 HydrophobicContact CD2-CB 4.27Å; L3-K6 HydrophobicContact CD2-CG 4.48Å; L3-K6 WeakPolarHBondContact O-CB 3.41Å; L3-K6 PolarHBondContact O-N 3.46Å; L3-R28 CarbonylContact C-O 3.59Å; L3-R28 HydrophobicContact CB-CB 3.87Å; L3-R28 HydrophobicContact CD1-CB 4.13Å; L3-R28 HydrophobicContact CG-CB 4.44Å; L3-G29 CarbonylContact O-C 3.6Å; L3-A30 HydrophobicContact CB-CB 4.28Å; L3-A30 WeakPolarHBondContact O-CA 3.47Å; L3-A30 PolarHBondContact O-N 2.95Å; L3-V221 HydrophobicContact CD1-CG1 3.54Å; L3-M224 HydrophobicContact CD1-CB 4.37Å; L3-M224 HydrophobicContact CD1-SD 3.54Å; L3-M224 VanDerWaalsContact CD1-SD 3.54Å; L3-M224 HydrophobicContact CD2-CB 3.99Å; L3-M224 HydrophobicContact CD2-SD 4.18Å
4T97.8Very high97.3Very high65 Ų6532.6 Ų32.640%0.39918%0.18SC..THydrogen-bonded Turntrans-55123.9174.1-53.60000109.6D2 K6 R28 G29D2-T4 WeakPolarHBondContact OD1-CB 3.26Å; D2-T4 PolarHBondContact OD1-N 2.89Å; D2-T4 PolarHBondContact OD1-OG1 3.49Å; D2-T4 PolarHBondContact OD2-OG1 2.87Å; T4-K6 PolarHBondContact O-N 2.93Å; T4-K6 VanDerWaalsContact O-N 3.12Å; T4-R28 PolarHBondContact N-O 3.18Å; T4-G29 WeakPolarHBondContact CA-O 3.49Å
5D97.5Very high97.2Very high85 Ų8531.8 Ų31.846%0.45518%0.179SC..THydrogen-bonded Turntrans60.515.8-178.6-57.3-46.3000114.8L3 G29 K55L3-D5 PolarHBondContact O-N 3.12Å; D5-G29 PolarHBondContact N-O 3.3Å; D5-K55 WeakPolarHBondContact OD1-CE 3.18Å; D5-K55 IonicContact OD1-NZ 3.81Å; D5-K55 PolarHBondContact OD1-NZ 2.65Å; D5-K55 IonicContact OD2-NZ 2.8Å
6K98.5Very high97.2Very high64 Ų6430.9 Ų30.928%0.27818%0.179SC..  trans-85.7136.5174.1-64.6-67.3170.5-167.70111.5M1 D2 L3 T4 V8 A30 I31 D85M1-K6 HydrophobicContact CG-CG 4.39Å; M1-K6 HydrophobicContact SD-CD 4.25Å; M1-K6 HydrophobicContact SD-CG 4.27Å; D2-K6 VanDerWaalsContact O-CG 3.26Å; D2-K6 WeakPolarHBondContact O-CG 3.44Å; L3-K6 HydrophobicContact CD2-CB 4.27Å; L3-K6 HydrophobicContact CD2-CG 4.48Å; L3-K6 WeakPolarHBondContact O-CB 3.41Å; L3-K6 PolarHBondContact O-N 3.46Å; T4-K6 PolarHBondContact O-N 2.93Å; T4-K6 VanDerWaalsContact O-N 3.12Å; K6-V8 PolarHBondContact O-N 3.05Å; K6-A30 CarbonylContact O-C 3.41Å; K6-A30 WeakPolarHBondContact O-CA 3.49Å; K6-A30 WeakPolarHBondContact O-CB 3.46Å; K6-I31 PolarHBondContact O-N 3.15Å; K6-D85 WeakPolarHBondContact CA-OD2 3.35Å; K6-D85 HydrophobicContact CB-CB 4.2Å; K6-D85 HydrophobicContact CD-CB 3.87Å; K6-D85 WeakPolarHBondContact CD-OD1 3.3Å; K6-D85 WeakPolarHBondContact CD-OD2 3.32Å; K6-D85 IonicContact NZ-OD1 3.22Å; K6-D85 PolarHBondContact NZ-OD1 3.5Å; K6-D85 IonicContact NZ-OD2 2.67Å
7V98.8Very high97.2Very high9 Ų929.6 Ų29.66%0.05517%0.172CC..EExtended strand (participates in β ladder)trans-84.5116.7178.81790000109.5V9 I31 V33 V81 D83 V84 D85 V86V7-V9 HydrophobicContact CG1-CG2 4.35Å; V7-I31 WeakPolarHBondContact CA-O 3.34Å; V7-I31 HydrophobicContact CG2-CB 4.38Å; V7-V33 HydrophobicContact CG1-CG2 4.14Å; V7-V81 HydrophobicContact CB-CG1 4.46Å; V7-V81 HydrophobicContact CG1-CG1 3.7Å; V7-V81 HydrophobicContact CG2-CG1 3.85Å; V7-D83 VanDerWaalsContact CB-O 3.26Å; V7-D83 WeakPolarHBondContact CB-O 3.49Å; V7-D83 WeakPolarHBondContact CG2-O 3.36Å; V7-V84 HydrophobicContact CG1-CG2 4.29Å; V7-D85 PolarHBondContact N-OD2 3.03Å; V7-D85 PolarHBondContact O-N 3.03Å; V7-V86 PolarHBondContact O-N 2.75Å
8V98.9Very high97.3Very high0 Ų028 Ų280%016%0.162CC..EExtended strand (participates in β ladder)trans-115.3108.6178.9-176.70000109.2K6 V10 A25 A30 I31 V33 V86 V88 M224K6-V8 PolarHBondContact O-N 3.05Å; V8-V10 HydrophobicContact CG1-CG2 4.06Å; V8-A25 HydrophobicContact CB-CB 4.38Å; V8-A25 HydrophobicContact CG1-CB 4.18Å; V8-A25 HydrophobicContact CG2-CB 4.31Å; V8-A30 HydrophobicContact CB-CB 4.46Å; V8-A30 HydrophobicContact CG2-CB 3.74Å; V8-I31 PolarHBondContact N-O 3.02Å; V8-V33 PolarHBondContact O-N 3.18Å; V8-V86 CarbonylContact C-O 3.59Å; V8-V86 WeakPolarHBondContact CA-O 3.48Å; V8-V86 HydrophobicContact CB-CB 4.48Å; V8-V86 HydrophobicContact CG1-CB 4.24Å; V8-V86 HydrophobicContact CG1-CG1 4.29Å; V8-V86 HydrophobicContact CG2-CB 4.1Å; V8-V86 HydrophobicContact CG2-CG2 4.4Å; V8-V88 HydrophobicContact CG1-CG2 4.5Å; V8-M224 HydrophobicContact CG1-CE 3.95Å; V8-M224 HydrophobicContact CG2-SD 4.49Å
9V98.9Very high97.3Very high0 Ų028.8 Ų28.80%016%0.164CC..EExtended strand (participates in β ladder)trans-92.5128.4175.6179.90000109.6V7 V33 I77 V84 V86 L87 V88 F121 I125V7-V9 HydrophobicContact CG1-CG2 4.35Å; V9-V33 CarbonylContact C-O 3.37Å; V9-V33 WeakPolarHBondContact CA-O 3.49Å; V9-V33 HydrophobicContact CB-CB 4.48Å; V9-V33 HydrophobicContact CG2-CB 3.96Å; V9-V33 HydrophobicContact CG2-CG1 4.45Å; V9-V33 HydrophobicContact CG2-CG2 4.26Å; V9-I77 HydrophobicContact CG1-CD1 4.19Å; V9-I77 HydrophobicContact CG2-CD1 4.25Å; V9-V84 HydrophobicContact CB-CG1 4.08Å; V9-V84 HydrophobicContact CG2-CB 4.23Å; V9-V84 HydrophobicContact CG2-CG1 3.59Å; V9-V84 HydrophobicContact CG2-CG2 3.55Å; V9-V86 PolarHBondContact N-O 3.22Å; V9-L87 HydrophobicContact CB-CD1 4.23Å; V9-L87 HydrophobicContact CG1-CD1 4.11Å; V9-L87 CarbonylContact O-C 3.48Å; V9-V88 PolarHBondContact O-N 2.77Å; V9-F121 HydrophobicContact CG1-CE1 3.89Å; V9-F121 HydrophobicContact CG1-CZ 4.08Å; V9-I125 HydrophobicContact CG1-CD1 4.34Å
10V98.9Very high97.4Very high0 Ų028.5 Ų28.50%016%0.161CC..EExtended strand (participates in β ladder)trans-125.7115.4179.1-173.50000110.4V8 V21 V33 C35 V88V8-V10 HydrophobicContact CG1-CG2 4.06Å; V10-V21 HydrophobicContact CG2-CG1 4.11Å; V10-V33 PolarHBondContact N-O 3.29Å; V10-C35 PolarHBondContact O-N 3Å; V10-V88 WeakPolarHBondContact CA-O 3.48Å; V10-V88 HydrophobicContact CG1-CB 4.27Å; V10-V88 HydrophobicContact CG1-CG1 4.48Å; V10-V88 HydrophobicContact CG2-CB 4.17Å; V10-V88 HydrophobicContact CG2-CG2 4.37Å
11T98.7Very high97.5Very high0 Ų027.2 Ų27.20%015%0.154CC..EExtended strand (participates in β ladder)trans-83145.4171.971.80000110.7G13 C35 L62 I64 V88 N89 N90 A91 F121T11-G13 PolarHBondContact O-N 3.21Å; T11-C35 CarbonylContact C-O 3.53Å; T11-C35 WeakPolarHBondContact CA-O 3.19Å; T11-L62 HydrophobicContact CG2-CD2 4.08Å; T11-I64 HydrophobicContact CG2-CD1 4.29Å; T11-V88 PolarHBondContact N-O 2.88Å; T11-N89 WeakPolarHBondContact OG1-CA 3.24Å; T11-N90 CarbonylContact O-C 3.23Å; T11-N90 WeakPolarHBondContact O-CA 3.38Å; T11-N90 VanDerWaalsContact O-CB 3.23Å; T11-N90 WeakPolarHBondContact O-CB 3.31Å; T11-N90 PolarHBondContact O-N 2.82Å; T11-N90 PolarHBondContact O-ND2 2.94Å; T11-N90 PolarHBondContact OG1-N 2.82Å; T11-N90 VanDerWaalsContact OG1-N 3.16Å; T11-A91 PolarHBondContact O-N 3.44Å; T11-A91 WeakPolarHBondContact OG1-CB 3.37Å; T11-A91 PolarHBondContact OG1-N 3.41Å; T11-A91 VanDerWaalsContact OG1-N 3.11Å; T11-F121 HydrophobicContact CG2-CD1 3.75Å; T11-F121 HydrophobicContact CG2-CE1 3.58Å; T11-F121 HydrophobicContact CG2-CG 4.4Å; T11-F121 HydrophobicContact CG2-CZ 4.14Å
12G97.9Very high97.9Very high18 Ų1823.2 Ų23.219%0.18613%0.134CC..THydrogen-bonded Turntrans6725.1-173.700000113.2S14 C35 N90G12-S14 PolarHBondContact O-N 3.4Å; G12-S14 VanDerWaalsContact O-N 3.08Å; G12-C35 PolarHBondContact N-O 3.06Å; G12-N90 PolarHBondContact O-ND2 2.86Å
13G97.4Very high98.1Very high0 Ų019.1 Ų19.10%011%0.11CC..THydrogen-bonded Turntrans-77.620.3-176.200000115.5T11 T34 C35 V45T11-G13 PolarHBondContact O-N 3.21Å; G13-T34 WeakPolarHBondContact CA-OG1 3.18Å; G13-T34 PolarHBondContact O-OG1 3.5Å; G13-T34 VanDerWaalsContact O-OG1 3.12Å; G13-C35 PolarHBondContact N-O 3.31Å; G13-V45 WeakPolarHBondContact O-CG2 3.06Å
14S97Very high98.2Very high16 Ų1620.2 Ų20.211%0.11212%0.116CC..THydrogen-bonded Turntrans-90-14.1-176.366.80000115.2G12 R38G12-S14 PolarHBondContact O-N 3.4Å; G12-S14 VanDerWaalsContact O-N 3.08Å; S14-R38 PolarHBondContact OG-NH2 3.12Å
15A96.5Very high98.3Very high20 Ų2017.1 Ų17.117%0.16510%0.097CC..SBendtrans-167170.2-179.600000110.4E19A15-E19 WeakPolarHBondContact CA-OE2 3.42Å; A15-E19 PolarHBondContact O-N 2.9Å
16G96.5Very high98.3Very high18 Ų1813.1 Ų13.119%0.1868%0.075CC..Hα-helixtrans60.1-139.4167.800000112.9G18 E19 Q20G16-G18 VanDerWaalsContact C-N 3.33Å; G16-G18 PolarHBondContact O-N 2.81Å; G16-E19 PolarHBondContact O-N 3.17Å; G16-Q20 WeakPolarHBondContact O-CG 3.24Å; G16-Q20 PolarHBondContact O-N 2.67Å; G16-Q20 VanDerWaalsContact O-N 3.12Å
17L98.1Very high98.3Very high9 Ų915.4 Ų15.45%0.0479%0.085CC..Hα-helixtrans-59-42.2-176-179.462.8000112.9Q20 V21 V140 I188 L216 A217 I220L17-Q20 PolarHBondContact O-N 2.94Å; L17-V21 HydrophobicContact CD1-CG2 4.28Å; L17-V21 HydrophobicContact CG-CG2 4.38Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.83Å; L17-V140 HydrophobicContact CD2-CG1 4.32Å; L17-V140 HydrophobicContact CD2-CG2 4.38Å; L17-I188 HydrophobicContact CB-CD1 4.3Å; L17-I188 HydrophobicContact CD2-CD1 3.92Å; L17-L216 HydrophobicContact CD1-CB 3.98Å; L17-L216 HydrophobicContact CD1-CD2 3.84Å; L17-L216 HydrophobicContact CD1-CG 3.83Å; L17-L216 HydrophobicContact CD2-CD2 3.81Å; L17-L216 HydrophobicContact CD2-CG 4.44Å; L17-L216 HydrophobicContact CG-CD2 4.48Å; L17-A217 HydrophobicContact CD1-CB 4.29Å; L17-I220 HydrophobicContact CD1-CD1 3.95Å; L17-I220 HydrophobicContact CD2-CD1 4.12Å; L17-I220 HydrophobicContact CG-CD1 4.32Å
18G98.4Very high98.3Very high0 Ų018.5 Ų18.50%010%0.096CC..Hα-helixtrans-61.2-48.1-177.700000112.2G16 Q20 V21 C22 N90G16-G18 VanDerWaalsContact C-N 3.33Å; G16-G18 PolarHBondContact O-N 2.81Å; G18-Q20 VanDerWaalsContact C-N 3.35Å; G18-Q20 PolarHBondContact O-N 3.42Å; G18-V21 WeakPolarHBondContact O-CB 3.47Å; G18-V21 PolarHBondContact O-N 3.49Å; G18-C22 PolarHBondContact O-N 3Å; G18-C22 PolarHBondContact O-SG 2.94Å; G18-N90 VanDerWaalsContact CA-ND2 3.28Å; G18-N90 WeakPolarHBondContact CA-ND2 3.5Å; G18-N90 PolarHBondContact N-ND2 2.94Å
19E98.5Very high98.3Very high44 Ų4419 Ų1921%0.20610%0.101CC..Hα-helixtrans-59.5-44.3174.6172.5-176-155.100111.8A15 G16 V21 C22 Y23 V45A15-E19 WeakPolarHBondContact CA-OE2 3.42Å; A15-E19 PolarHBondContact O-N 2.9Å; G16-E19 PolarHBondContact O-N 3.17Å; E19-V21 VanDerWaalsContact C-N 3.28Å; E19-V21 PolarHBondContact O-N 2.87Å; E19-C22 VanDerWaalsContact O-CB 3.26Å; E19-C22 WeakPolarHBondContact O-CB 3.37Å; E19-C22 PolarHBondContact O-N 2.88Å; E19-C22 VanDerWaalsContact O-N 3.12Å; E19-Y23 HydrophobicContact CG-CD2 4Å; E19-Y23 HydrophobicContact CG-CE1 4.28Å; E19-Y23 HydrophobicContact CG-CE2 3.31Å; E19-Y23 VanDerWaalsContact CG-CZ 3.47Å; E19-Y23 PolarHBondContact O-N 2.97Å; E19-Y23 VanDerWaalsContact OE1-CE2 3.31Å; E19-Y23 WeakPolarHBondContact OE1-CE2 3.46Å; E19-Y23 VanDerWaalsContact OE1-CZ 3.25Å; E19-Y23 PolarHBondContact OE1-OH 3.37Å; E19-V45 HydrophobicContact CB-CG2 4.33Å; E19-V45 HydrophobicContact CG-CG1 4.41Å; E19-V45 HydrophobicContact CG-CG2 3.75Å
20Q98.8Very high98.2Very high22 Ų2219 Ų1910%0.10310%0.101CC..Hα-helixtrans-65.3-32.8178.4-62.8-47.6-46.200112.4G16 L17 G18 Y23 E24 P213 H214 A217G16-Q20 WeakPolarHBondContact O-CG 3.24Å; G16-Q20 PolarHBondContact O-N 2.67Å; G16-Q20 VanDerWaalsContact O-N 3.12Å; L17-Q20 PolarHBondContact O-N 2.94Å; G18-Q20 VanDerWaalsContact C-N 3.35Å; G18-Q20 PolarHBondContact O-N 3.42Å; Q20-Y23 PolarHBondContact O-N 3.4Å; Q20-E24 WeakPolarHBondContact O-CB 3.47Å; Q20-E24 WeakPolarHBondContact O-CG 3.3Å; Q20-E24 PolarHBondContact O-N 3.38Å; Q20-P213 HydrophobicContact CG-CB 4.11Å; Q20-H214 VanDerWaalsContact CD-ND1 3.29Å; Q20-H214 PolarHBondContact OE1-CE1 3.26Å; Q20-H214 PolarHBondContact OE1-ND1 2.98Å; Q20-A217 VanDerWaalsContact C-CB 3.43Å; Q20-A217 HydrophobicContact CB-CB 3.59Å; Q20-A217 WeakPolarHBondContact O-CB 3.45Å
21V98.9Very high98.2Very high1 Ų120.8 Ų20.81%0.00611%0.11CC..Hα-helixtrans-65.2-42.4172171.30000110.9V10 L17 G18 E19 Y23 E24 A25 V88 A217 I220 V221 M224V10-V21 HydrophobicContact CG2-CG1 4.11Å; L17-V21 HydrophobicContact CD1-CG2 4.28Å; L17-V21 HydrophobicContact CG-CG2 4.38Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.83Å; G18-V21 WeakPolarHBondContact O-CB 3.47Å; G18-V21 PolarHBondContact O-N 3.49Å; E19-V21 VanDerWaalsContact C-N 3.28Å; E19-V21 PolarHBondContact O-N 2.87Å; V21-Y23 PolarHBondContact O-N 2.99Å; V21-E24 PolarHBondContact O-N 3.31Å; V21-A25 VanDerWaalsContact O-CB 3.3Å; V21-A25 WeakPolarHBondContact O-CB 3.5Å; V21-A25 PolarHBondContact O-N 3.42Å; V21-V88 HydrophobicContact CG1-CG1 4.33Å; V21-V88 HydrophobicContact CG1-CG2 4.09Å; V21-A217 HydrophobicContact CG2-CB 3.88Å; V21-I220 HydrophobicContact CG2-CB 4.45Å; V21-I220 HydrophobicContact CG2-CD1 3.86Å; V21-I220 HydrophobicContact CG2-CG2 4.39Å; V21-V221 HydrophobicContact CG1-CG2 4.31Å; V21-M224 HydrophobicContact CG1-CE 4.12Å
22C98.9Very high98.2Very high0 Ų020.9 Ų20.90%011%0.111CC..Hα-helixtrans-54.9-51173.4-64.60000111G18 E19 A25 A26 V32 V45G18-C22 PolarHBondContact O-N 3Å; G18-C22 PolarHBondContact O-SG 2.94Å; E19-C22 VanDerWaalsContact O-CB 3.26Å; E19-C22 WeakPolarHBondContact O-CB 3.37Å; E19-C22 PolarHBondContact O-N 2.88Å; E19-C22 VanDerWaalsContact O-N 3.12Å; C22-A25 PolarHBondContact O-N 2.72Å; C22-A26 WeakPolarHBondContact O-CB 3.21Å; C22-A26 PolarHBondContact O-N 2.72Å; C22-V32 HydrophobicContact CB-CG1 3.83Å; C22-V45 HydrophobicContact CB-CG1 3.79Å
23Y98.8Very high98.3Very high29 Ų2920 Ų2011%0.11410%0.102CC..Hα-helixtrans-64.8-42.8-179.6-61.5-25.4000113.4E19 Q20 V21 A25 A26 K27 V45 R48 L52E19-Y23 HydrophobicContact CG-CD2 4Å; E19-Y23 HydrophobicContact CG-CE1 4.28Å; E19-Y23 HydrophobicContact CG-CE2 3.31Å; E19-Y23 VanDerWaalsContact CG-CZ 3.47Å; E19-Y23 PolarHBondContact O-N 2.97Å; E19-Y23 VanDerWaalsContact OE1-CE2 3.31Å; E19-Y23 WeakPolarHBondContact OE1-CE2 3.46Å; E19-Y23 VanDerWaalsContact OE1-CZ 3.25Å; E19-Y23 PolarHBondContact OE1-OH 3.37Å; Q20-Y23 PolarHBondContact O-N 3.4Å; V21-Y23 PolarHBondContact O-N 2.99Å; Y23-A25 VanDerWaalsContact C-N 3.32Å; Y23-A25 PolarHBondContact O-N 3Å; Y23-A26 PolarHBondContact O-N 3.12Å; Y23-K27 VanDerWaalsContact O-CG 3.26Å; Y23-K27 WeakPolarHBondContact O-CG 3.31Å; Y23-K27 PolarHBondContact O-N 3.41Å; Y23-V45 HydrophobicContact CE1-CB 4.37Å; Y23-V45 HydrophobicContact CE1-CG1 3.87Å; Y23-R48 HydrophobicContact CD1-CB 4.37Å; Y23-R48 HydrophobicContact CD1-CG 3.89Å; Y23-R48 HydrophobicContact CE1-CB 3.61Å; Y23-R48 HydrophobicContact CE1-CG 3.46Å; Y23-R48 VanDerWaalsContact CE1-CG 3.46Å; Y23-L52 HydrophobicContact CD1-CD1 3.96Å; Y23-L52 HydrophobicContact CG-CD1 4.1Å
24E98.8Very high98.4Very high25 Ų2520 Ų2012%0.11710%0.102CC..Hα-helixtrans-68.8-30.6178.4-71.9-64.6125.600112.6Q20 V21 K27 A217 K218 V221Q20-E24 WeakPolarHBondContact O-CB 3.47Å; Q20-E24 WeakPolarHBondContact O-CG 3.3Å; Q20-E24 PolarHBondContact O-N 3.38Å; V21-E24 PolarHBondContact O-N 3.31Å; E24-K27 IonicContact OE1-NZ 3.65Å; E24-K27 PolarHBondContact OE1-NZ 3.04Å; E24-A217 HydrophobicContact CB-CB 4.47Å; E24-A217 HydrophobicContact CG-CB 3.98Å; E24-K218 HydrophobicContact CG-CB 4.39Å; E24-V221 HydrophobicContact CB-CB 4.24Å; E24-V221 HydrophobicContact CB-CG2 3.66Å
25A98.8Very high98.4Very high0 Ų019.3 Ų19.30%010%0.097CC..Hα-helixtrans-70.6-47172.100000111.3V8 V21 C22 Y23 K27 R28 A30 V32 V221V8-A25 HydrophobicContact CB-CB 4.38Å; V8-A25 HydrophobicContact CG1-CB 4.18Å; V8-A25 HydrophobicContact CG2-CB 4.31Å; V21-A25 VanDerWaalsContact O-CB 3.3Å; V21-A25 WeakPolarHBondContact O-CB 3.5Å; V21-A25 PolarHBondContact O-N 3.42Å; C22-A25 PolarHBondContact O-N 2.72Å; Y23-A25 VanDerWaalsContact C-N 3.32Å; Y23-A25 PolarHBondContact O-N 3Å; A25-K27 VanDerWaalsContact C-N 3.32Å; A25-K27 PolarHBondContact O-N 2.84Å; A25-R28 WeakPolarHBondContact O-CA 3.36Å; A25-R28 WeakPolarHBondContact O-CB 3.47Å; A25-R28 PolarHBondContact O-N 3.43Å; A25-A30 HydrophobicContact CB-CB 4.13Å; A25-A30 VanDerWaalsContact O-CB 3.3Å; A25-A30 WeakPolarHBondContact O-CB 3.4Å; A25-A30 PolarHBondContact O-N 3.36Å; A25-V32 HydrophobicContact CB-CG2 4.13Å; A25-V221 HydrophobicContact CB-CG2 4.42Å
26A98.8Very high98.5Very high0 Ų018.7 Ų18.70%09%0.092CC..Hα-helixtrans-57.8-42.1177.200000112.4C22 Y23 R28 G29 V32 C49 L52 S53C22-A26 WeakPolarHBondContact O-CB 3.21Å; C22-A26 PolarHBondContact O-N 2.72Å; Y23-A26 PolarHBondContact O-N 3.12Å; A26-R28 PolarHBondContact O-N 3.37Å; A26-G29 PolarHBondContact O-N 2.74Å; A26-V32 HydrophobicContact CB-CG2 3.97Å; A26-C49 HydrophobicContact CB-CB 3.86Å; A26-C49 WeakPolarHBondContact CB-O 3.49Å; A26-L52 HydrophobicContact CB-CB 3.94Å; A26-S53 VanDerWaalsContact O-CA 3.31Å; A26-S53 WeakPolarHBondContact O-CA 3.26Å; A26-S53 VanDerWaalsContact O-CB 3.25Å; A26-S53 WeakPolarHBondContact O-CB 3.25Å
27K98.6Very high98.5Very high112 Ų11224.1 Ų24.149%0.48711%0.107SC..THydrogen-bonded Turntrans-58.2-14.6174-74.9171.8-166.8173.20114.2Y23 E24 A25 L52Y23-K27 VanDerWaalsContact O-CG 3.26Å; Y23-K27 WeakPolarHBondContact O-CG 3.31Å; Y23-K27 PolarHBondContact O-N 3.41Å; E24-K27 IonicContact OE1-NZ 3.65Å; E24-K27 PolarHBondContact OE1-NZ 3.04Å; A25-K27 VanDerWaalsContact C-N 3.32Å; A25-K27 PolarHBondContact O-N 2.84Å; K27-L52 HydrophobicContact CG-CB 4.38Å; K27-L52 HydrophobicContact CG-CD1 4.3Å; K27-L52 HydrophobicContact CG-CD2 3.99Å; K27-L52 HydrophobicContact CG-CG 4.47Å
28R98.2Very high98.4Very high74 Ų7428.6 Ų28.628%0.27912%0.123SC..THydrogen-bonded Turntrans-104.415.8175.2-61.1-166.5-174.4174.58.7113.5L3 T4 A25 A26 A30 V221 N222L3-R28 CarbonylContact C-O 3.59Å; L3-R28 HydrophobicContact CB-CB 3.87Å; L3-R28 HydrophobicContact CD1-CB 4.13Å; L3-R28 HydrophobicContact CG-CB 4.44Å; T4-R28 PolarHBondContact N-O 3.18Å; A25-R28 WeakPolarHBondContact O-CA 3.36Å; A25-R28 WeakPolarHBondContact O-CB 3.47Å; A25-R28 PolarHBondContact O-N 3.43Å; A26-R28 PolarHBondContact O-N 3.37Å; R28-A30 VanDerWaalsContact C-N 3.34Å; R28-V221 HydrophobicContact CG-CG1 4.41Å; R28-V221 VanDerWaalsContact CZ-CG1 3.47Å; R28-V221 VanDerWaalsContact NH1-C 3.26Å; R28-V221 PolarHBondContact NH1-O 3.24Å; R28-N222 PolarHBondContact NH2-OD1 3.27Å
29G98.1Very high98.2Very high12 Ų1232.3 Ų32.312%0.12414%0.142CC..THydrogen-bonded Turntrans78.515177.700000114.5L3 T4 D5 A26L3-G29 CarbonylContact O-C 3.6Å; T4-G29 WeakPolarHBondContact CA-O 3.49Å; D5-G29 PolarHBondContact N-O 3.3Å; A26-G29 PolarHBondContact O-N 2.74Å
30A98.7Very high98.1Very high0 Ų036.4 Ų36.40%017%0.166CC..  trans-70.3146.2175.500000112L3 K6 V8 A25 R28 V32L3-A30 HydrophobicContact CB-CB 4.28Å; L3-A30 WeakPolarHBondContact O-CA 3.47Å; L3-A30 PolarHBondContact O-N 2.95Å; K6-A30 CarbonylContact O-C 3.41Å; K6-A30 WeakPolarHBondContact O-CA 3.49Å; K6-A30 WeakPolarHBondContact O-CB 3.46Å; V8-A30 HydrophobicContact CB-CB 4.46Å; V8-A30 HydrophobicContact CG2-CB 3.74Å; A25-A30 HydrophobicContact CB-CB 4.13Å; A25-A30 VanDerWaalsContact O-CB 3.3Å; A25-A30 WeakPolarHBondContact O-CB 3.4Å; A25-A30 PolarHBondContact O-N 3.36Å; R28-A30 VanDerWaalsContact C-N 3.34Å; A30-V32 HydrophobicContact CB-CG2 4.31Å; A30-V32 PolarHBondContact O-N 2.8Å
31I98.8Very high98Very high37 Ų3737.9 Ų37.919%0.1917%0.174CC..EExtended strand (participates in β ladder)trans-80.9108.4163.3-64165.9000106.6K6 V7 V8 K55 Y58 V81K6-I31 PolarHBondContact O-N 3.15Å; V7-I31 WeakPolarHBondContact CA-O 3.34Å; V7-I31 HydrophobicContact CG2-CB 4.38Å; V8-I31 PolarHBondContact N-O 3.02Å; I31-K55 HydrophobicContact CG1-CB 4.35Å; I31-Y58 HydrophobicContact CG2-CD2 4.09Å; I31-Y58 HydrophobicContact CG2-CE2 3.81Å; I31-V81 HydrophobicContact CG2-CG1 4.1Å
32V98.9Very high97.9Very high1 Ų137.9 Ų37.91%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-94.3130.3-175.1176.90000110.5C22 A25 A26 A30 C49 A57 Y58C22-V32 HydrophobicContact CB-CG1 3.83Å; A25-V32 HydrophobicContact CB-CG2 4.13Å; A26-V32 HydrophobicContact CB-CG2 3.97Å; A30-V32 HydrophobicContact CB-CG2 4.31Å; A30-V32 PolarHBondContact O-N 2.8Å; V32-C49 HydrophobicContact CB-CB 4.09Å; V32-C49 HydrophobicContact CG1-CB 4.45Å; V32-C49 HydrophobicContact CG2-CB 4.41Å; V32-A57 WeakPolarHBondContact O-CA 3.26Å; V32-Y58 PolarHBondContact O-N 3.01Å
33V98.9Very high97.9Very high0 Ų038.6 Ų38.60%018%0.181CC..EExtended strand (participates in β ladder)trans-113.3110.7168.7-174.80000108.1V7 V8 V9 V10 Y58 F60 I77 V81V7-V33 HydrophobicContact CG1-CG2 4.14Å; V8-V33 PolarHBondContact O-N 3.18Å; V9-V33 CarbonylContact C-O 3.37Å; V9-V33 WeakPolarHBondContact CA-O 3.49Å; V9-V33 HydrophobicContact CB-CB 4.48Å; V9-V33 HydrophobicContact CG2-CB 3.96Å; V9-V33 HydrophobicContact CG2-CG1 4.45Å; V9-V33 HydrophobicContact CG2-CG2 4.26Å; V10-V33 PolarHBondContact N-O 3.29Å; V33-Y58 WeakPolarHBondContact CA-O 3.19Å; V33-Y58 HydrophobicContact CG2-CD2 4.3Å; V33-F60 HydrophobicContact CG1-CD2 3.59Å; V33-F60 HydrophobicContact CG1-CE2 3.73Å; V33-I77 HydrophobicContact CG1-CD1 4.22Å; V33-I77 HydrophobicContact CG1-CG1 4.08Å; V33-V81 HydrophobicContact CG2-CB 4.43Å; V33-V81 HydrophobicContact CG2-CG1 3.89Å; V33-V81 HydrophobicContact CG2-CG2 3.98Å
34T98.8Very high97.8Very high1 Ų142.9 Ų42.91%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-99.7131177.1-178.30000110.9G13 I42 V45 Y58 A59 F60G13-T34 WeakPolarHBondContact CA-OG1 3.18Å; G13-T34 PolarHBondContact O-OG1 3.5Å; G13-T34 VanDerWaalsContact O-OG1 3.12Å; T34-I42 HydrophobicContact CG2-CB 3.93Å; T34-I42 HydrophobicContact CG2-CG2 4.39Å; T34-V45 HydrophobicContact CG2-CB 4.3Å; T34-V45 HydrophobicContact CG2-CG1 4.12Å; T34-Y58 WeakPolarHBondContact CG2-O 3.41Å; T34-Y58 PolarHBondContact N-O 2.99Å; T34-A59 HydrophobicContact CG2-CB 3.99Å; T34-A59 WeakPolarHBondContact O-CA 3.45Å; T34-F60 PolarHBondContact O-N 3.28Å
35C98.7Very high97.8Very high0 Ų041.8 Ų41.80%020%0.197CC..EExtended strand (participates in β ladder)trans-124.4125.2-178.4-56.50000110.8V10 T11 G12 G13 F60 L62V10-C35 PolarHBondContact O-N 3Å; T11-C35 CarbonylContact C-O 3.53Å; T11-C35 WeakPolarHBondContact CA-O 3.19Å; G12-C35 PolarHBondContact N-O 3.06Å; G13-C35 PolarHBondContact N-O 3.31Å; C35-F60 WeakPolarHBondContact CA-O 3.32Å; C35-L62 HydrophobicContact CB-CB 3.87Å; C35-L62 HydrophobicContact CB-CD2 3.66Å; C35-L62 HydrophobicContact CB-CG 4.43Å
36A98.2Very high97.8Very high8 Ų846.5 Ų46.57%0.06622%0.215CC..EExtended strand (participates in β ladder)trans-163.8171.3171.400000111.5R38 I42 F60 Q61 L62A36-R38 PolarHBondContact O-N 3.44Å; A36-I42 HydrophobicContact CB-CG2 3.56Å; A36-F60 PolarHBondContact N-O 2.9Å; A36-Q61 WeakPolarHBondContact O-CA 3.48Å; A36-L62 CarbonylContact C-O 3.57Å; A36-L62 VanDerWaalsContact C-O 3.23Å; A36-L62 PolarHBondContact O-N 3.07Å
37R97.3Very high97.8Very high131 Ų13151.5 Ų51.549%0.49424%0.238SC..SBendtrans-67.7-33.9178.6-65.7175.2-69.2174.3-3.2114.1I39 Q61 L62 D63R37-I39 PolarHBondContact O-N 2.96Å; R37-Q61 PolarHBondContact O-NE2 3.18Å; R37-L62 VanDerWaalsContact CG-O 3.23Å; R37-L62 WeakPolarHBondContact CG-O 3.23Å; R37-L62 PolarHBondContact N-O 3.33Å; R37-L62 VanDerWaalsContact N-O 3.13Å; R37-D63 HydrophobicContact CG-CB 4.21Å
38R95.3Very high97.8Very high103 Ų10351.5 Ų51.539%0.38924%0.235SC..  trans-89.386.6-171.2-64.2-177.6-66.3169.56.2111.2S14 A36 N40 L41 I42S14-R38 PolarHBondContact OG-NH2 3.12Å; A36-R38 PolarHBondContact O-N 3.44Å; R38-N40 VanDerWaalsContact C-N 3.33Å; R38-N40 PolarHBondContact O-N 3.3Å; R38-L41 HydrophobicContact CB-CB 4.31Å; R38-L41 HydrophobicContact CB-CD1 4.09Å; R38-L41 HydrophobicContact CB-CG 4.36Å; R38-L41 VanDerWaalsContact NH1-CD1 3.25Å; R38-L41 PolarHBondContact O-N 3.1Å; R38-L41 VanDerWaalsContact O-N 3.12Å; R38-I42 PolarHBondContact O-N 3.41Å
39I93.5Very high97.8Very high78 Ų7848 Ų4840%0.422%0.222SC..Hα-helixtrans-52.9-43.2-173.1-171.456.9000114.1R37 L41 I42 G43 Q61R37-I39 PolarHBondContact O-N 2.96Å; I39-L41 VanDerWaalsContact C-N 3.32Å; I39-L41 PolarHBondContact O-N 3.44Å; I39-I42 HydrophobicContact CD1-CD1 3.9Å; I39-I42 HydrophobicContact CD1-CG1 4.07Å; I39-I42 WeakPolarHBondContact O-CG1 3.41Å; I39-I42 PolarHBondContact O-N 3.45Å; I39-G43 PolarHBondContact O-N 3.18Å; I39-Q61 HydrophobicContact CD1-CB 4.36Å
40N95.8Very high97.9Very high130 Ų13049.5 Ų49.570%0.69523%0.231SC*.Hα-helixtrans-62.1-39.7-178.9-65.9-18.8000112.4R38 G43 Q44R38-N40 VanDerWaalsContact C-N 3.33Å; R38-N40 PolarHBondContact O-N 3.3Å; N40-G43 PolarHBondContact O-N 3.19Å; N40-Q44 PolarHBondContact O-N 2.8Å
41L97.2Very high97.9Very high54 Ų5455.8 Ų55.828%0.28326%0.26SS..Hα-helixtrans-74-42.3-178.9-64.8178.2000111.5R38 I39 G43 Q44 V45R38-L41 HydrophobicContact CB-CB 4.31Å; R38-L41 HydrophobicContact CB-CD1 4.09Å; R38-L41 HydrophobicContact CB-CG 4.36Å; R38-L41 VanDerWaalsContact NH1-CD1 3.25Å; R38-L41 PolarHBondContact O-N 3.1Å; R38-L41 VanDerWaalsContact O-N 3.12Å; I39-L41 VanDerWaalsContact C-N 3.32Å; I39-L41 PolarHBondContact O-N 3.44Å; L41-G43 PolarHBondContact O-N 3.32Å; L41-Q44 PolarHBondContact O-N 2.72Å; L41-V45 WeakPolarHBondContact O-CG2 3.4Å; L41-V45 PolarHBondContact O-N 3.25Å; L41-V45 VanDerWaalsContact O-N 3.1Å
42I97.3Very high97.9Very high0 Ų056.1 Ų56.10%026%0.262CS..Hα-helixtrans-67.5-26.6175.558.2175.3000112.5T34 A36 R38 I39 V45 R46 A59 F60T34-I42 HydrophobicContact CG2-CB 3.93Å; T34-I42 HydrophobicContact CG2-CG2 4.39Å; A36-I42 HydrophobicContact CB-CG2 3.56Å; R38-I42 PolarHBondContact O-N 3.41Å; I39-I42 HydrophobicContact CD1-CD1 3.9Å; I39-I42 HydrophobicContact CD1-CG1 4.07Å; I39-I42 WeakPolarHBondContact O-CG1 3.41Å; I39-I42 PolarHBondContact O-N 3.45Å; I42-V45 PolarHBondContact O-N 2.91Å; I42-R46 WeakPolarHBondContact O-CB 3.34Å; I42-R46 PolarHBondContact O-N 3.47Å; I42-A59 HydrophobicContact CB-CB 4.15Å; I42-A59 HydrophobicContact CD1-CB 4.1Å; I42-A59 HydrophobicContact CG1-CB 3.99Å; I42-F60 WeakPolarHBondContact CD1-O 3.39Å
43G98Very high97.8Very high15 Ų1557.1 Ų57.116%0.15527%0.269CS..Hα-helixtrans-60.8-43.8170.800000112.7I39 N40 L41 R46 E47I39-G43 PolarHBondContact O-N 3.18Å; N40-G43 PolarHBondContact O-N 3.19Å; L41-G43 PolarHBondContact O-N 3.32Å; G43-R46 WeakPolarHBondContact O-CB 3.36Å; G43-R46 PolarHBondContact O-N 2.72Å; G43-E47 WeakPolarHBondContact O-CG 3.36Å; G43-E47 PolarHBondContact O-N 2.95Å
44Q98.3Very high97.7Very high119 Ų11960.4 Ų60.456%0.55630%0.303SS*.Hα-helixtrans-65.5-42.6174.8-65.3172.41000111.6N40 L41 R46 E47 R48N40-Q44 PolarHBondContact O-N 2.8Å; L41-Q44 PolarHBondContact O-N 2.72Å; Q44-R46 VanDerWaalsContact C-N 3.31Å; Q44-R46 PolarHBondContact O-N 2.92Å; Q44-E47 PolarHBondContact O-N 2.89Å; Q44-R48 WeakPolarHBondContact O-CB 3.47Å; Q44-R48 PolarHBondContact O-N 3.36Å
45V98.7Very high97.6Very high2 Ų263.8 Ų63.81%0.01232%0.317CS..Hα-helixtrans-61.2-42.1176.5176.60000110.9G13 E19 C22 Y23 T34 L41 I42 R48 C49G13-V45 WeakPolarHBondContact O-CG2 3.06Å; E19-V45 HydrophobicContact CB-CG2 4.33Å; E19-V45 HydrophobicContact CG-CG1 4.41Å; E19-V45 HydrophobicContact CG-CG2 3.75Å; C22-V45 HydrophobicContact CB-CG1 3.79Å; Y23-V45 HydrophobicContact CE1-CB 4.37Å; Y23-V45 HydrophobicContact CE1-CG1 3.87Å; T34-V45 HydrophobicContact CG2-CB 4.3Å; T34-V45 HydrophobicContact CG2-CG1 4.12Å; L41-V45 WeakPolarHBondContact O-CG2 3.4Å; L41-V45 PolarHBondContact O-N 3.25Å; L41-V45 VanDerWaalsContact O-N 3.1Å; I42-V45 PolarHBondContact O-N 2.91Å; V45-R48 PolarHBondContact O-N 3.13Å; V45-C49 WeakPolarHBondContact O-CB 3.43Å; V45-C49 PolarHBondContact O-N 3.07Å; V45-C49 PolarHBondContact O-SG 2.91Å
46R98.6Very high97.6Very high100 Ų10069.1 Ų69.138%0.37735%0.346SS..Hα-helixtrans-59-53.1175.2176.5-160.666.9168.40.3111.7I42 G43 Q44 R48 C49 S50 A57 A59I42-R46 WeakPolarHBondContact O-CB 3.34Å; I42-R46 PolarHBondContact O-N 3.47Å; G43-R46 WeakPolarHBondContact O-CB 3.36Å; G43-R46 PolarHBondContact O-N 2.72Å; Q44-R46 VanDerWaalsContact C-N 3.31Å; Q44-R46 PolarHBondContact O-N 2.92Å; R46-R48 VanDerWaalsContact C-N 3.29Å; R46-R48 PolarHBondContact O-N 3.38Å; R46-C49 PolarHBondContact O-N 2.86Å; R46-C49 VanDerWaalsContact O-N 3.14Å; R46-S50 PolarHBondContact O-N 2.91Å; R46-A57 WeakPolarHBondContact CD-O 3.41Å; R46-A57 VanDerWaalsContact CG-C 3.49Å; R46-A57 HydrophobicContact CG-CB 3.92Å; R46-A57 WeakPolarHBondContact CG-O 3.33Å; R46-A57 WeakPolarHBondContact O-CB 3.4Å; R46-A59 HydrophobicContact CB-CB 3.94Å; R46-A59 HydrophobicContact CG-CB 4.37Å
47E98.6Very high97.6Very high104 Ų10469.4 Ų69.449%0.48635%0.348SS..Hα-helixtrans-55.8-47.9179.5-75.4166-165.300110.6G43 Q44 C49 S50 E51G43-E47 WeakPolarHBondContact O-CG 3.36Å; G43-E47 PolarHBondContact O-N 2.95Å; Q44-E47 PolarHBondContact O-N 2.89Å; E47-C49 PolarHBondContact O-N 3.08Å; E47-S50 WeakPolarHBondContact O-CB 3.21Å; E47-S50 PolarHBondContact O-N 3.23Å; E47-E51 WeakPolarHBondContact O-CG 3.46Å; E47-E51 PolarHBondContact O-N 3.09Å
48R98.7Very high97.7Very high113 Ų11365.8 Ų65.843%0.42634%0.335SS..Hα-helixtrans-64.6-37178.1-176.756177.3162.70.9113.1Y23 Q44 V45 R46 E51 L52Y23-R48 HydrophobicContact CD1-CB 4.37Å; Y23-R48 HydrophobicContact CD1-CG 3.89Å; Y23-R48 HydrophobicContact CE1-CB 3.61Å; Y23-R48 HydrophobicContact CE1-CG 3.46Å; Y23-R48 VanDerWaalsContact CE1-CG 3.46Å; Q44-R48 WeakPolarHBondContact O-CB 3.47Å; Q44-R48 PolarHBondContact O-N 3.36Å; V45-R48 PolarHBondContact O-N 3.13Å; R46-R48 VanDerWaalsContact C-N 3.29Å; R46-R48 PolarHBondContact O-N 3.38Å; R48-E51 WeakPolarHBondContact CD-OE2 3.38Å; R48-E51 IonicContact CZ-OE2 3.87Å; R48-E51 IonicContact NH1-OE2 2.65Å; R48-E51 PolarHBondContact NH1-OE2 3.04Å; R48-L52 HydrophobicContact CG-CD1 4.02Å; R48-L52 HydrophobicContact CG-CG 4.46Å; R48-L52 WeakPolarHBondContact O-CB 3.29Å; R48-L52 WeakPolarHBondContact O-CG 3.35Å; R48-L52 PolarHBondContact O-N 3.44Å
49C98.8Very high97.8Very high0 Ų061.9 Ų61.90%033%0.325CS..Hα-helixtrans-65.7-39.5174.4-70.90000112.1A26 V32 V45 R46 E47 L52 S53 A57A26-C49 HydrophobicContact CB-CB 3.86Å; A26-C49 WeakPolarHBondContact CB-O 3.49Å; V32-C49 HydrophobicContact CB-CB 4.09Å; V32-C49 HydrophobicContact CG1-CB 4.45Å; V32-C49 HydrophobicContact CG2-CB 4.41Å; V45-C49 WeakPolarHBondContact O-CB 3.43Å; V45-C49 PolarHBondContact O-N 3.07Å; V45-C49 PolarHBondContact O-SG 2.91Å; R46-C49 PolarHBondContact O-N 2.86Å; R46-C49 VanDerWaalsContact O-N 3.14Å; E47-C49 PolarHBondContact O-N 3.08Å; C49-L52 PolarHBondContact O-N 2.89Å; C49-S53 WeakPolarHBondContact O-CB 3.26Å; C49-S53 PolarHBondContact O-N 3.49Å; C49-S53 PolarHBondContact O-OG 3.03Å; C49-A57 HydrophobicContact CB-CB 3.88Å
50S98.6Very high98.1Very high43 Ų4358.8 Ų58.830%0.30131%0.308SS..Hα-helixtrans-63.1-45.3176.4-175.40000111.1R46 E47 L52 S53 G54 K55R46-S50 PolarHBondContact O-N 2.91Å; E47-S50 WeakPolarHBondContact O-CB 3.21Å; E47-S50 PolarHBondContact O-N 3.23Å; S50-L52 PolarHBondContact O-N 2.85Å; S50-S53 PolarHBondContact O-N 3.06Å; S50-S53 PolarHBondContact O-OG 3.42Å; S50-G54 WeakPolarHBondContact O-CA 3.31Å; S50-G54 PolarHBondContact O-N 2.84Å; S50-K55 VanDerWaalsContact CA-O 3.26Å; S50-K55 WeakPolarHBondContact CA-O 3.43Å; S50-K55 WeakPolarHBondContact CB-O 3.41Å; S50-K55 PolarHBondContact OG-O 3.46Å
51E98.5Very high98.2Very high133 Ų13358.1 Ų58.162%0.62130%0.301SS*.Hα-helixtrans-59-44.6174.1-69.5174.1178.900113.2E47 R48 S53E47-E51 WeakPolarHBondContact O-CG 3.46Å; E47-E51 PolarHBondContact O-N 3.09Å; R48-E51 WeakPolarHBondContact CD-OE2 3.38Å; R48-E51 IonicContact CZ-OE2 3.87Å; R48-E51 IonicContact NH1-OE2 2.65Å; R48-E51 PolarHBondContact NH1-OE2 3.04Å; E51-S53 VanDerWaalsContact C-N 3.35Å
52L98.6Very high98.3Very high44 Ų4455.9 Ų55.923%0.2329%0.289CS..Hα-helixtrans-70.3-31-176.4-74.8170.6000113.1Y23 A26 K27 R48 C49 S50Y23-L52 HydrophobicContact CD1-CD1 3.96Å; Y23-L52 HydrophobicContact CG-CD1 4.1Å; A26-L52 HydrophobicContact CB-CB 3.94Å; K27-L52 HydrophobicContact CG-CB 4.38Å; K27-L52 HydrophobicContact CG-CD1 4.3Å; K27-L52 HydrophobicContact CG-CD2 3.99Å; K27-L52 HydrophobicContact CG-CG 4.47Å; R48-L52 HydrophobicContact CG-CD1 4.02Å; R48-L52 HydrophobicContact CG-CG 4.46Å; R48-L52 WeakPolarHBondContact O-CB 3.29Å; R48-L52 WeakPolarHBondContact O-CG 3.35Å; R48-L52 PolarHBondContact O-N 3.44Å; C49-L52 PolarHBondContact O-N 2.89Å; S50-L52 PolarHBondContact O-N 2.85Å
53S97.8Very high98.3Very high22 Ų2258.7 Ų58.715%0.15430%0.304CS..Hα-helixtrans-97.6-25.2-17660.10000113.5A26 C49 S50 E51 K55A26-S53 VanDerWaalsContact O-CA 3.31Å; A26-S53 WeakPolarHBondContact O-CA 3.26Å; A26-S53 VanDerWaalsContact O-CB 3.25Å; A26-S53 WeakPolarHBondContact O-CB 3.25Å; C49-S53 WeakPolarHBondContact O-CB 3.26Å; C49-S53 PolarHBondContact O-N 3.49Å; C49-S53 PolarHBondContact O-OG 3.03Å; S50-S53 PolarHBondContact O-N 3.06Å; S50-S53 PolarHBondContact O-OG 3.42Å; E51-S53 VanDerWaalsContact C-N 3.35Å; S53-K55 PolarHBondContact O-N 3.26Å; S53-K55 WeakPolarHBondContact OG-CB 3.48Å; S53-K55 PolarHBondContact OG-N 2.96Å; S53-K55 VanDerWaalsContact OG-N 3.12Å
54G97.6Very high98.4Very high68 Ų6858.4 Ų58.470%0.70130%0.299SS*.THydrogen-bonded Turntrans66.321.1-165.600000113S50S50-G54 WeakPolarHBondContact O-CA 3.31Å; S50-G54 PolarHBondContact O-N 2.84Å
55K96.4Very high98.4Very high72 Ų7253.9 Ų53.931%0.31328%0.282SS..SBendtrans-120.8167.8-178.6-57-67.2177.5161.80110.4D5 I31 S50 S53D5-K55 WeakPolarHBondContact OD1-CE 3.18Å; D5-K55 IonicContact OD1-NZ 3.81Å; D5-K55 PolarHBondContact OD1-NZ 2.65Å; D5-K55 IonicContact OD2-NZ 2.8Å; I31-K55 HydrophobicContact CG1-CB 4.35Å; S50-K55 VanDerWaalsContact CA-O 3.26Å; S50-K55 WeakPolarHBondContact CA-O 3.43Å; S50-K55 WeakPolarHBondContact CB-O 3.41Å; S50-K55 PolarHBondContact OG-O 3.46Å; S53-K55 PolarHBondContact O-N 3.26Å; S53-K55 WeakPolarHBondContact OG-CB 3.48Å; S53-K55 PolarHBondContact OG-N 2.96Å; S53-K55 VanDerWaalsContact OG-N 3.12Å
56D97.7Very high98.4Very high113 Ų11356.9 Ų56.960%0.60430%0.298SS*.  trans-64.7141.4165.7-66.2-37.4000110Y58D56-Y58 HydrophobicContact CB-CE2 4.06Å
57A98.6Very high98.3Very high14 Ų1455.4 Ų55.412%0.11630%0.302CS..  trans-130.1151.5172.200000108.5V32 R46 C49V32-A57 WeakPolarHBondContact O-CA 3.26Å; R46-A57 WeakPolarHBondContact CD-O 3.41Å; R46-A57 VanDerWaalsContact CG-C 3.49Å; R46-A57 HydrophobicContact CG-CB 3.92Å; R46-A57 WeakPolarHBondContact CG-O 3.33Å; R46-A57 WeakPolarHBondContact O-CB 3.4Å; C49-A57 HydrophobicContact CB-CB 3.88Å
58Y98.7Very high98.3Very high54 Ų5456.4 Ų56.421%0.21231%0.31CS..EExtended strand (participates in β ladder)trans-124.2147.7-172.3-57.6-101000110.7I31 V32 V33 T34 D56 F60 E80 V81I31-Y58 HydrophobicContact CG2-CD2 4.09Å; I31-Y58 HydrophobicContact CG2-CE2 3.81Å; V32-Y58 PolarHBondContact O-N 3.01Å; V33-Y58 WeakPolarHBondContact CA-O 3.19Å; V33-Y58 HydrophobicContact CG2-CD2 4.3Å; T34-Y58 WeakPolarHBondContact CG2-O 3.41Å; T34-Y58 PolarHBondContact N-O 2.99Å; D56-Y58 HydrophobicContact CB-CE2 4.06Å; Y58-F60 HydrophobicContact CD1-CZ 4.22Å; Y58-E80 HydrophobicContact CE1-CB 4.18Å; Y58-E80 PolarHBondContact OH-O 2.84Å; Y58-V81 HydrophobicContact CD1-CG2 3.79Å; Y58-V81 HydrophobicContact CD2-CG1 4.34Å; Y58-V81 HydrophobicContact CD2-CG2 3.75Å; Y58-V81 HydrophobicContact CE1-CG2 3.92Å; Y58-V81 HydrophobicContact CE2-CG1 4.2Å; Y58-V81 HydrophobicContact CE2-CG2 3.92Å; Y58-V81 HydrophobicContact CG-CG2 3.7Å
59A98.7Very high98.3Very high21 Ų2152.2 Ų52.217%0.17430%0.298CS..EExtended strand (participates in β ladder)trans-132.4123173.500000109.6T34 I42 R46T34-A59 HydrophobicContact CG2-CB 3.99Å; T34-A59 WeakPolarHBondContact O-CA 3.45Å; I42-A59 HydrophobicContact CB-CB 4.15Å; I42-A59 HydrophobicContact CD1-CB 4.1Å; I42-A59 HydrophobicContact CG1-CB 3.99Å; R46-A59 HydrophobicContact CB-CB 3.94Å; R46-A59 HydrophobicContact CG-CB 4.37Å
60F98.6Very high98.3Very high13 Ų1352.2 Ų52.26%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-120.9129.6176.4-59.7-57.1000110.5V33 T34 C35 A36 I42 Y58 L62 V73 K76 I77 E80 V81V33-F60 HydrophobicContact CG1-CD2 3.59Å; V33-F60 HydrophobicContact CG1-CE2 3.73Å; T34-F60 PolarHBondContact O-N 3.28Å; C35-F60 WeakPolarHBondContact CA-O 3.32Å; A36-F60 PolarHBondContact N-O 2.9Å; I42-F60 WeakPolarHBondContact CD1-O 3.39Å; Y58-F60 HydrophobicContact CD1-CZ 4.22Å; F60-L62 PolarHBondContact O-N 3.42Å; F60-V73 HydrophobicContact CB-CG1 3.97Å; F60-V73 HydrophobicContact CB-CG2 4.18Å; F60-V73 HydrophobicContact CD2-CG1 4.48Å; F60-K76 HydrophobicContact CD1-CB 4.14Å; F60-K76 HydrophobicContact CD1-CD 3.9Å; F60-K76 HydrophobicContact CE1-CB 3.82Å; F60-K76 HydrophobicContact CE1-CD 4.08Å; F60-K76 HydrophobicContact CE1-CG 4.46Å; F60-K76 HydrophobicContact CE2-CB 4.4Å; F60-K76 HydrophobicContact CZ-CB 3.96Å; F60-I77 HydrophobicContact CD2-CD1 4.45Å; F60-I77 HydrophobicContact CD2-CG1 3.75Å; F60-I77 HydrophobicContact CE2-CG1 3.65Å; F60-E80 HydrophobicContact CZ-CB 4.43Å; F60-V81 HydrophobicContact CE2-CG2 4.28Å; F60-V81 HydrophobicContact CZ-CG2 4.47Å
61Q98.5Very high98.3Very high117 Ų11752.6 Ų52.655%0.54730%0.295SS..EExtended strand (participates in β ladder)trans-67.8121.1172.8-168.1172.623.400108.9A36 R37 I39 V73A36-Q61 WeakPolarHBondContact O-CA 3.48Å; R37-Q61 PolarHBondContact O-NE2 3.18Å; I39-Q61 HydrophobicContact CD1-CB 4.36Å; Q61-V73 VanDerWaalsContact O-CG2 3.23Å; Q61-V73 WeakPolarHBondContact O-CG2 3.47Å
62L98.7Very high98.3Very high6 Ų648.3 Ų48.33%0.03128%0.283CS..  trans-131.6119.8-176.9174.264.7000109.3T11 C35 A36 R37 F60 I64 V70 V73 F121T11-L62 HydrophobicContact CG2-CD2 4.08Å; C35-L62 HydrophobicContact CB-CB 3.87Å; C35-L62 HydrophobicContact CB-CD2 3.66Å; C35-L62 HydrophobicContact CB-CG 4.43Å; A36-L62 CarbonylContact C-O 3.57Å; A36-L62 VanDerWaalsContact C-O 3.23Å; A36-L62 PolarHBondContact O-N 3.07Å; R37-L62 VanDerWaalsContact CG-O 3.23Å; R37-L62 WeakPolarHBondContact CG-O 3.23Å; R37-L62 PolarHBondContact N-O 3.33Å; R37-L62 VanDerWaalsContact N-O 3.13Å; F60-L62 PolarHBondContact O-N 3.42Å; L62-I64 HydrophobicContact CD2-CB 4.35Å; L62-I64 HydrophobicContact CD2-CG1 4.4Å; L62-I64 HydrophobicContact CG-CB 4.31Å; L62-V70 HydrophobicContact CD1-CG2 4.01Å; L62-V73 HydrophobicContact CB-CG2 4.09Å; L62-V73 HydrophobicContact CD1-CB 4.21Å; L62-V73 HydrophobicContact CD1-CG2 3.97Å; L62-F121 HydrophobicContact CD1-CD2 4.4Å; L62-F121 HydrophobicContact CD1-CE2 4.26Å; L62-F121 HydrophobicContact CD2-CD2 4.08Å; L62-F121 HydrophobicContact CD2-CE2 3.76Å; L62-F121 HydrophobicContact CD2-CZ 4.24Å
63D98.5Very high98.3Very high60 Ų6046.4 Ų46.432%0.32127%0.273SS..  trans-95.2107154.3-163.9-14.1000108.9R37 A65 D66 S69R37-D63 HydrophobicContact CG-CB 4.21Å; D63-A65 PolarHBondContact O-N 2.92Å; D63-A65 PolarHBondContact OD1-N 3.49Å; D63-D66 HydrophobicContact CB-CB 4.17Å; D63-D66 PolarHBondContact O-N 3.47Å; D63-S69 PolarHBondContact N-OG 3.44Å; D63-S69 WeakPolarHBondContact O-CB 3.48Å
64I98.5Very high98.4Very high9 Ų946.7 Ų46.75%0.04627%0.272CS..THydrogen-bonded Turntrans-73.2-16.5-174.6-155.9174000112.4T11 L62 D66 V70 A91 V113 G117 I118 F121T11-I64 HydrophobicContact CG2-CD1 4.29Å; L62-I64 HydrophobicContact CD2-CB 4.35Å; L62-I64 HydrophobicContact CD2-CG1 4.4Å; L62-I64 HydrophobicContact CG-CB 4.31Å; I64-D66 VanDerWaalsContact C-N 3.27Å; I64-V70 HydrophobicContact CG1-CG2 4.47Å; I64-A91 HydrophobicContact CD1-CB 4.09Å; I64-A91 HydrophobicContact CG2-CB 4.23Å; I64-V113 HydrophobicContact CG2-CB 4.29Å; I64-V113 HydrophobicContact CG2-CG1 3.77Å; I64-V113 HydrophobicContact CG2-CG2 4.49Å; I64-G117 WeakPolarHBondContact O-CA 3.31Å; I64-I118 HydrophobicContact CD1-CG1 3.97Å; I64-F121 HydrophobicContact CD1-CB 4.37Å; I64-F121 HydrophobicContact CG1-CB 4.49Å
65A98.3Very high98.4Very high23 Ų2349.7 Ų49.719%0.1927%0.268CS..THydrogen-bonded Turntrans-78.4-13173.900000112.9D63 E112 V113D63-A65 PolarHBondContact O-N 2.92Å; D63-A65 PolarHBondContact OD1-N 3.49Å; A65-E112 HydrophobicContact CB-CB 3.86Å; A65-V113 HydrophobicContact CB-CG2 3.82Å
66D98.5Very high98.5Very high65 Ų6551.1 Ų51.135%0.34827%0.274SS..  trans-105.1111.8-177.7175.613.2000110.3D63 I64 D68 S69 V70D63-D66 HydrophobicContact CB-CB 4.17Å; D63-D66 PolarHBondContact O-N 3.47Å; I64-D66 VanDerWaalsContact C-N 3.27Å; D66-D68 VanDerWaalsContact C-N 3.26Å; D66-D68 PolarHBondContact O-N 2.89Å; D66-D68 PolarHBondContact OD1-N 3.47Å; D66-S69 WeakPolarHBondContact O-CB 3.44Å; D66-S69 PolarHBondContact O-N 3.3Å; D66-S69 PolarHBondContact OD2-N 2.95Å; D66-V70 PolarHBondContact O-N 3.01Å
67P98.2Very high98.5Very high70 Ų7046 Ų4646%0.45525%0.247SC..Hα-helixtrans-54.8-37.5177.9-29.237.6000114.4V70 E71 Y120P67-V70 WeakPolarHBondContact O-CB 3.3Å; P67-V70 PolarHBondContact O-N 3.41Å; P67-E71 WeakPolarHBondContact O-CG 3.39Å; P67-E71 PolarHBondContact O-N 3.14Å; P67-Y120 HydrophobicContact CB-CD1 4.24Å; P67-Y120 HydrophobicContact CB-CE1 3.63Å
68D98.6Very high98.5Very high125 Ų12548.5 Ų48.567%0.66827%0.268SS*.Hα-helixtrans-70.5-38.5-179.2-68.4-25.3000110.7D66 V70 E71 A72D66-D68 VanDerWaalsContact C-N 3.26Å; D66-D68 PolarHBondContact O-N 2.89Å; D66-D68 PolarHBondContact OD1-N 3.47Å; D68-V70 VanDerWaalsContact C-N 3.31Å; D68-V70 PolarHBondContact O-N 2.91Å; D68-E71 PolarHBondContact O-N 2.87Å; D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 2.98Å
69S98.6Very high98.5Very high24 Ų2450.1 Ų50.117%0.16829%0.292CS..Hα-helixtrans-62.2-38.6171.5-176.60000111.8D63 D66 V73D63-S69 PolarHBondContact N-OG 3.44Å; D63-S69 WeakPolarHBondContact O-CB 3.48Å; D66-S69 WeakPolarHBondContact O-CB 3.44Å; D66-S69 PolarHBondContact O-N 3.3Å; D66-S69 PolarHBondContact OD2-N 2.95Å; S69-V73 WeakPolarHBondContact O-CB 3.35Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.27Å; S69-V73 PolarHBondContact O-N 3.27Å; S69-V73 VanDerWaalsContact O-N 3.14Å
70V98.7Very high98.5Very high1 Ų154 Ų541%0.00631%0.307CS..Hα-helixtrans-62.2-51.3175.3167.10000110.8L62 I64 D66 P67 D68 A72 V73 I74 Y120 F121L62-V70 HydrophobicContact CD1-CG2 4.01Å; I64-V70 HydrophobicContact CG1-CG2 4.47Å; D66-V70 PolarHBondContact O-N 3.01Å; P67-V70 WeakPolarHBondContact O-CB 3.3Å; P67-V70 PolarHBondContact O-N 3.41Å; D68-V70 VanDerWaalsContact C-N 3.31Å; D68-V70 PolarHBondContact O-N 2.91Å; V70-A72 PolarHBondContact O-N 3.18Å; V70-V73 PolarHBondContact O-N 3.1Å; V70-I74 HydrophobicContact CG1-CG1 4.28Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 2.91Å; V70-Y120 HydrophobicContact CB-CD1 3.85Å; V70-Y120 HydrophobicContact CB-CE1 3.91Å; V70-Y120 HydrophobicContact CG1-CD1 3.58Å; V70-Y120 HydrophobicContact CG1-CE1 3.76Å; V70-Y120 HydrophobicContact CG1-CG 4.1Å; V70-Y120 HydrophobicContact CG2-CD1 4.17Å; V70-F121 HydrophobicContact CG1-CB 4.43Å; V70-F121 HydrophobicContact CG1-CD2 3.91Å; V70-F121 HydrophobicContact CG2-CD2 4.3Å
71E98.5Very high98.5Very high51 Ų5154.9 Ų54.924%0.23831%0.313CS..Hα-helixtrans-59.1-48.3-179.9-67-73.5-168.200111.5P67 D68 V73 I74 E75 Y120 K124P67-E71 WeakPolarHBondContact O-CG 3.39Å; P67-E71 PolarHBondContact O-N 3.14Å; D68-E71 PolarHBondContact O-N 2.87Å; E71-V73 VanDerWaalsContact C-N 3.27Å; E71-V73 PolarHBondContact O-N 3.4Å; E71-I74 PolarHBondContact O-N 2.85Å; E71-I74 VanDerWaalsContact O-N 3.14Å; E71-E75 WeakPolarHBondContact O-CG 3.39Å; E71-E75 PolarHBondContact O-N 3.44Å; E71-Y120 HydrophobicContact CG-CE1 4.48Å; E71-Y120 WeakPolarHBondContact CG-OH 3.38Å; E71-Y120 PolarHBondContact OE1-OH 3.38Å; E71-K124 WeakPolarHBondContact OE1-CE 3.13Å; E71-K124 IonicContact OE1-NZ 2.72Å; E71-K124 PolarHBondContact OE1-NZ 3.28Å; E71-K124 WeakPolarHBondContact OE2-CE 3.11Å; E71-K124 IonicContact OE2-NZ 2.81Å; E71-K124 PolarHBondContact OE2-NZ 3.06Å
72A98.6Very high98.4Very high43 Ų4350.7 Ų50.736%0.35530%0.301SS..Hα-helixtrans-60.4-35.6-18000000112.9D68 V70 K76D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 2.98Å; V70-A72 PolarHBondContact O-N 3.18Å; A72-K76 WeakPolarHBondContact O-CG 3.41Å; A72-K76 PolarHBondContact O-N 3.34Å
73V98.6Very high98.4Very high4 Ų454.6 Ų54.62%0.02432%0.322CS..Hα-helixtrans-73.9-40.2176.7170.60000111.2F60 Q61 L62 S69 V70 E71 E75 K76 I77 F121F60-V73 HydrophobicContact CB-CG1 3.97Å; F60-V73 HydrophobicContact CB-CG2 4.18Å; F60-V73 HydrophobicContact CD2-CG1 4.48Å; Q61-V73 VanDerWaalsContact O-CG2 3.23Å; Q61-V73 WeakPolarHBondContact O-CG2 3.47Å; L62-V73 HydrophobicContact CB-CG2 4.09Å; L62-V73 HydrophobicContact CD1-CB 4.21Å; L62-V73 HydrophobicContact CD1-CG2 3.97Å; S69-V73 WeakPolarHBondContact O-CB 3.35Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.27Å; S69-V73 PolarHBondContact O-N 3.27Å; S69-V73 VanDerWaalsContact O-N 3.14Å; V70-V73 PolarHBondContact O-N 3.1Å; E71-V73 VanDerWaalsContact C-N 3.27Å; E71-V73 PolarHBondContact O-N 3.4Å; V73-E75 VanDerWaalsContact C-N 3.35Å; V73-K76 PolarHBondContact O-N 2.92Å; V73-I77 HydrophobicContact CG1-CD1 3.89Å; V73-I77 HydrophobicContact CG1-CG1 4.42Å; V73-I77 VanDerWaalsContact O-CG1 3.3Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 3.28Å; V73-F121 HydrophobicContact CG1-CE2 4Å; V73-F121 HydrophobicContact CG1-CZ 4.34Å
74I98.6Very high98.4Very high28 Ų2852.1 Ų52.114%0.14431%0.309CS..Hα-helixtrans-61.9-43.6176.3-69.1-66.1000110.9V70 E71 K76 I77 A78 F121 K124 I125V70-I74 HydrophobicContact CG1-CG1 4.28Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 2.91Å; E71-I74 PolarHBondContact O-N 2.85Å; E71-I74 VanDerWaalsContact O-N 3.14Å; I74-K76 PolarHBondContact O-N 2.85Å; I74-I77 PolarHBondContact O-N 2.9Å; I74-A78 WeakPolarHBondContact O-CB 3.14Å; I74-A78 PolarHBondContact O-N 3.48Å; I74-F121 HydrophobicContact CD1-CD2 4.16Å; I74-F121 HydrophobicContact CD1-CE2 3.86Å; I74-F121 HydrophobicContact CD1-CZ 4.09Å; I74-F121 HydrophobicContact CG1-CD2 4.44Å; I74-F121 HydrophobicContact CG1-CE2 4.27Å; I74-K124 HydrophobicContact CD1-CB 3.75Å; I74-K124 HydrophobicContact CG1-CB 3.77Å; I74-K124 HydrophobicContact CG1-CG 4.22Å; I74-K124 HydrophobicContact CG2-CB 4.1Å; I74-I125 HydrophobicContact CD1-CD1 4.16Å; I74-I125 HydrophobicContact CD1-CG1 3.74Å
75E98.4Very high98.4Very high130 Ų13052.9 Ų52.961%0.60731%0.313SS*.Hα-helixtrans-60.6-43.6176.1-72.7178.1177.900112E71 V73 A78 A79E71-E75 WeakPolarHBondContact O-CG 3.39Å; E71-E75 PolarHBondContact O-N 3.44Å; V73-E75 VanDerWaalsContact C-N 3.35Å; E75-A78 PolarHBondContact O-N 3.39Å; E75-A79 WeakPolarHBondContact O-CB 3.37Å; E75-A79 PolarHBondContact O-N 2.67Å
76K98.5Very high98.4Very high102 Ų10251.8 Ų51.844%0.44330%0.304SS..Hα-helixtrans-63.8-43.4175.7-74.5176.2-177.5179.30112.8F60 A72 V73 I74 A78 A79 E80F60-K76 HydrophobicContact CD1-CB 4.14Å; F60-K76 HydrophobicContact CD1-CD 3.9Å; F60-K76 HydrophobicContact CE1-CB 3.82Å; F60-K76 HydrophobicContact CE1-CD 4.08Å; F60-K76 HydrophobicContact CE1-CG 4.46Å; F60-K76 HydrophobicContact CE2-CB 4.4Å; F60-K76 HydrophobicContact CZ-CB 3.96Å; A72-K76 WeakPolarHBondContact O-CG 3.41Å; A72-K76 PolarHBondContact O-N 3.34Å; V73-K76 PolarHBondContact O-N 2.92Å; I74-K76 PolarHBondContact O-N 2.85Å; K76-A78 VanDerWaalsContact C-N 3.32Å; K76-A78 PolarHBondContact O-N 3.27Å; K76-A79 PolarHBondContact O-N 3.4Å; K76-E80 VanDerWaalsContact O-CB 3.31Å; K76-E80 WeakPolarHBondContact O-CB 3.49Å; K76-E80 PolarHBondContact O-N 3.15Å
77I98.6Very high98.4Very high6 Ų648.7 Ų48.73%0.03129%0.287CS..Hα-helixtrans-59.1-47.6176.1-69.8169.4000109.8V9 V33 F60 V73 I74 A79 V81 G82 V84 F121V9-I77 HydrophobicContact CG1-CD1 4.19Å; V9-I77 HydrophobicContact CG2-CD1 4.25Å; V33-I77 HydrophobicContact CG1-CD1 4.22Å; V33-I77 HydrophobicContact CG1-CG1 4.08Å; F60-I77 HydrophobicContact CD2-CD1 4.45Å; F60-I77 HydrophobicContact CD2-CG1 3.75Å; F60-I77 HydrophobicContact CE2-CG1 3.65Å; V73-I77 HydrophobicContact CG1-CD1 3.89Å; V73-I77 HydrophobicContact CG1-CG1 4.42Å; V73-I77 VanDerWaalsContact O-CG1 3.3Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 3.28Å; I74-I77 PolarHBondContact O-N 2.9Å; I77-A79 PolarHBondContact O-N 3.16Å; I77-V81 CarbonylContact O-C 3.58Å; I77-V81 WeakPolarHBondContact O-CA 3.38Å; I77-V81 WeakPolarHBondContact O-CB 3.43Å; I77-V81 PolarHBondContact O-N 2.79Å; I77-G82 PolarHBondContact O-N 3.27Å; I77-V84 HydrophobicContact CG2-CG2 3.77Å; I77-F121 HydrophobicContact CD1-CZ 4.18Å
78A98Very high98.5Very high67 Ų6745.3 Ų45.355%0.55427%0.266SS*.Hα-helixtrans-63.1-39.8179.900000112.7I74 E75 K76I74-A78 WeakPolarHBondContact O-CB 3.14Å; I74-A78 PolarHBondContact O-N 3.48Å; E75-A78 PolarHBondContact O-N 3.39Å; K76-A78 VanDerWaalsContact C-N 3.32Å; K76-A78 PolarHBondContact O-N 3.27Å
79A98.2Very high98.5Very high88 Ų8839.4 Ų39.473%0.72723%0.234SC*.Hα-helixtrans-78.3-39.4-177.300000113.9E75 K76 I77E75-A79 WeakPolarHBondContact O-CB 3.37Å; E75-A79 PolarHBondContact O-N 2.67Å; K76-A79 PolarHBondContact O-N 3.4Å; I77-A79 PolarHBondContact O-N 3.16Å
80E98.3Very high98.5Very high103 Ų10339.6 Ų39.648%0.48123%0.233SC..Hα-helixtrans-100.1-22.8-171.1-61.5-179.8-150.600113.7Y58 F60 K76Y58-E80 HydrophobicContact CE1-CB 4.18Å; Y58-E80 PolarHBondContact OH-O 2.84Å; F60-E80 HydrophobicContact CZ-CB 4.43Å; K76-E80 VanDerWaalsContact O-CB 3.31Å; K76-E80 WeakPolarHBondContact O-CB 3.49Å; K76-E80 PolarHBondContact O-N 3.15Å
81V98.3Very high98.4Very high31 Ų3140.1 Ų40.119%0.18824%0.237CC..THydrogen-bonded Turntrans-123.2-45.6-172.3-165.60000111.8V7 I31 V33 Y58 F60 I77V7-V81 HydrophobicContact CB-CG1 4.46Å; V7-V81 HydrophobicContact CG1-CG1 3.7Å; V7-V81 HydrophobicContact CG2-CG1 3.85Å; I31-V81 HydrophobicContact CG2-CG1 4.1Å; V33-V81 HydrophobicContact CG2-CB 4.43Å; V33-V81 HydrophobicContact CG2-CG1 3.89Å; V33-V81 HydrophobicContact CG2-CG2 3.98Å; Y58-V81 HydrophobicContact CD1-CG2 3.79Å; Y58-V81 HydrophobicContact CD2-CG1 4.34Å; Y58-V81 HydrophobicContact CD2-CG2 3.75Å; Y58-V81 HydrophobicContact CE1-CG2 3.92Å; Y58-V81 HydrophobicContact CE2-CG1 4.2Å; Y58-V81 HydrophobicContact CE2-CG2 3.92Å; Y58-V81 HydrophobicContact CG-CG2 3.7Å; F60-V81 HydrophobicContact CE2-CG2 4.28Å; F60-V81 HydrophobicContact CZ-CG2 4.47Å; I77-V81 CarbonylContact O-C 3.58Å; I77-V81 WeakPolarHBondContact O-CA 3.38Å; I77-V81 WeakPolarHBondContact O-CB 3.43Å; I77-V81 PolarHBondContact O-N 2.79Å
82G97.2Very high98.3Very high28 Ų2839.1 Ų39.129%0.28924%0.241SC..  trans97.9-145-178.300000113.5I77I77-G82 PolarHBondContact O-N 3.27Å
83D97.8Very high98.2Very high89 Ų8939 Ų3948%0.47623%0.233SC..  trans-67.4136.4-172.1-76.7-35.8000113.1V7 N132V7-D83 VanDerWaalsContact CB-O 3.26Å; V7-D83 WeakPolarHBondContact CB-O 3.49Å; V7-D83 WeakPolarHBondContact CG2-O 3.36Å; D83-N132 PolarHBondContact OD1-ND2 3.4Å; D83-N132 PolarHBondContact OD2-ND2 3.13Å
84V98.7Very high98Very high8 Ų839 Ų395%0.04823%0.233CC..  trans-93.5117179.9-179.90000110.4V7 V9 I77 V86 I125 M129V7-V84 HydrophobicContact CG1-CG2 4.29Å; V9-V84 HydrophobicContact CB-CG1 4.08Å; V9-V84 HydrophobicContact CG2-CB 4.23Å; V9-V84 HydrophobicContact CG2-CG1 3.59Å; V9-V84 HydrophobicContact CG2-CG2 3.55Å; I77-V84 HydrophobicContact CG2-CG2 3.77Å; V84-V86 WeakPolarHBondContact CG1-O 3.21Å; V84-I125 HydrophobicContact CB-CG2 3.93Å; V84-I125 HydrophobicContact CG1-CG2 3.96Å; V84-I125 HydrophobicContact CG2-CD1 4.49Å; V84-I125 HydrophobicContact CG2-CG2 4.46Å; V84-M129 HydrophobicContact CB-CE 4.47Å; V84-M129 HydrophobicContact CG1-CE 4.02Å; V84-M129 VanDerWaalsContact O-CE 3.24Å; V84-M129 WeakPolarHBondContact O-CE 3.3Å
85D98.8Very high97.9Very high24 Ų2439.2 Ų39.213%0.12824%0.235CC..SBendtrans-81.2-36176.1-64.1-87.8000112.6K6 V7 G135 H136K6-D85 WeakPolarHBondContact CA-OD2 3.35Å; K6-D85 HydrophobicContact CB-CB 4.2Å; K6-D85 HydrophobicContact CD-CB 3.87Å; K6-D85 WeakPolarHBondContact CD-OD1 3.3Å; K6-D85 WeakPolarHBondContact CD-OD2 3.32Å; K6-D85 IonicContact NZ-OD1 3.22Å; K6-D85 PolarHBondContact NZ-OD1 3.5Å; K6-D85 IonicContact NZ-OD2 2.67Å; V7-D85 PolarHBondContact N-OD2 3.03Å; V7-D85 PolarHBondContact O-N 3.03Å; D85-G135 CarbonylContact O-C 3.59Å; D85-G135 WeakPolarHBondContact O-CA 3.33Å; D85-H136 PolarHBondContact O-N 3.12Å
86V98.9Very high97.6Very high0 Ų033.9 Ų33.90%021%0.209CC..EExtended strand (participates in β ladder)trans-136.4127.5-177.9-1760000110.7M1 V7 V8 V9 V84 V88 H136 F138 M224M1-V86 HydrophobicContact SD-CG2 4.37Å; V7-V86 PolarHBondContact O-N 2.75Å; V8-V86 CarbonylContact C-O 3.59Å; V8-V86 WeakPolarHBondContact CA-O 3.48Å; V8-V86 HydrophobicContact CB-CB 4.48Å; V8-V86 HydrophobicContact CG1-CB 4.24Å; V8-V86 HydrophobicContact CG1-CG1 4.29Å; V8-V86 HydrophobicContact CG2-CB 4.1Å; V8-V86 HydrophobicContact CG2-CG2 4.4Å; V9-V86 PolarHBondContact N-O 3.22Å; V84-V86 WeakPolarHBondContact CG1-O 3.21Å; V86-V88 HydrophobicContact CG1-CG2 4.15Å; V86-H136 CarbonylContact C-O 3.59Å; V86-H136 VanDerWaalsContact CA-O 3.29Å; V86-H136 WeakPolarHBondContact CA-O 3.28Å; V86-H136 WeakPolarHBondContact CG1-O 3.33Å; V86-H136 HydrophobicContact CG2-CB 4.39Å; V86-F138 HydrophobicContact CG1-CD2 3.85Å; V86-F138 HydrophobicContact CG1-CE2 3.87Å; V86-M224 HydrophobicContact CG1-CE 3.9Å; V86-M224 HydrophobicContact CG1-CG 4.08Å; V86-M224 HydrophobicContact CG1-SD 4.07Å; V86-M224 HydrophobicContact CG2-CB 4.43Å; V86-M224 HydrophobicContact CG2-CG 4.45Å; V86-M224 HydrophobicContact CG2-SD 4.44Å
87L98.9Very high97.3Very high0 Ų031.6 Ų31.60%020%0.202CC..EExtended strand (participates in β ladder)trans-108.7129.1170.3172.159.1000109.4V9 N89 F121 T122 I125 M129 H136 I137 F138V9-L87 HydrophobicContact CB-CD1 4.23Å; V9-L87 HydrophobicContact CG1-CD1 4.11Å; V9-L87 CarbonylContact O-C 3.48Å; L87-N89 WeakPolarHBondContact CD2-ND2 3.34Å; L87-F121 HydrophobicContact CD1-CD1 3.95Å; L87-F121 HydrophobicContact CD1-CE1 3.77Å; L87-F121 HydrophobicContact CD2-CD1 4.44Å; L87-T122 HydrophobicContact CD2-CG2 4.39Å; L87-I125 HydrophobicContact CB-CG2 4.27Å; L87-I125 HydrophobicContact CD1-CD1 3.75Å; L87-I125 HydrophobicContact CD2-CB 4.2Å; L87-I125 HydrophobicContact CD2-CD1 3.97Å; L87-I125 HydrophobicContact CD2-CG2 4.25Å; L87-I125 HydrophobicContact CG-CD1 4.3Å; L87-M129 HydrophobicContact CB-CE 4.22Å; L87-H136 PolarHBondContact N-O 2.9Å; L87-I137 HydrophobicContact CB-CG1 4.34Å; L87-I137 HydrophobicContact CD2-CG2 4.37Å; L87-I137 CarbonylContact O-C 3.4Å; L87-I137 WeakPolarHBondContact O-CA 3.23Å; L87-F138 PolarHBondContact O-N 3.39Å
88V98.9Very high97Very high0 Ų034.7 Ų34.70%022%0.219CC..EExtended strand (participates in β ladder)trans-116.699.3170.3-172.20000109.2V8 V9 V10 T11 V21 V86 N90 F138 M224V8-V88 HydrophobicContact CG1-CG2 4.5Å; V9-V88 PolarHBondContact O-N 2.77Å; V10-V88 WeakPolarHBondContact CA-O 3.48Å; V10-V88 HydrophobicContact CG1-CB 4.27Å; V10-V88 HydrophobicContact CG1-CG1 4.48Å; V10-V88 HydrophobicContact CG2-CB 4.17Å; V10-V88 HydrophobicContact CG2-CG2 4.37Å; T11-V88 PolarHBondContact N-O 2.88Å; V21-V88 HydrophobicContact CG1-CG1 4.33Å; V21-V88 HydrophobicContact CG1-CG2 4.09Å; V86-V88 HydrophobicContact CG1-CG2 4.15Å; V88-N90 HydrophobicContact CG1-CB 4.29Å; V88-N90 PolarHBondContact O-N 2.92Å; V88-N90 VanDerWaalsContact O-N 3.08Å; V88-F138 CarbonylContact C-O 3.56Å; V88-F138 WeakPolarHBondContact CA-O 3.45Å; V88-F138 HydrophobicContact CB-CB 4.43Å; V88-F138 HydrophobicContact CG1-CB 4.21Å; V88-F138 HydrophobicContact CG2-CB 4.22Å; V88-F138 HydrophobicContact CG2-CD2 4.33Å; V88-M224 HydrophobicContact CG2-CE 3.88Å
89N98.9Very high97Very high0 Ų037.4 Ų37.40%022%0.218CC..EExtended strand (participates in β ladder)trans-76.191.2171.3-69.9-54.9000109.9T11 L87 I118 T122 F138 N139 V140T11-N89 WeakPolarHBondContact OG1-CA 3.24Å; L87-N89 WeakPolarHBondContact CD2-ND2 3.34Å; N89-I118 HydrophobicContact CB-CD1 4.2Å; N89-I118 HydrophobicContact CB-CG1 4.18Å; N89-I118 HydrophobicContact CB-CG2 3.93Å; N89-T122 PolarHBondContact ND2-OG1 3.2Å; N89-F138 PolarHBondContact N-O 3.05Å; N89-N139 WeakPolarHBondContact CB-OD1 3.41Å; N89-N139 PolarHBondContact ND2-OD1 2.7Å; N89-V140 WeakPolarHBondContact O-CB 3.49Å; N89-V140 PolarHBondContact O-N 3.44Å
90N98.7Very high96.9Very high28 Ų2839.2 Ų39.215%0.1522%0.22CC..  trans-110.1-16.1178.516790000113T11 G12 G18 V88 G92 V140T11-N90 CarbonylContact O-C 3.23Å; T11-N90 WeakPolarHBondContact O-CA 3.38Å; T11-N90 VanDerWaalsContact O-CB 3.23Å; T11-N90 WeakPolarHBondContact O-CB 3.31Å; T11-N90 PolarHBondContact O-N 2.82Å; T11-N90 PolarHBondContact O-ND2 2.94Å; T11-N90 PolarHBondContact OG1-N 2.82Å; T11-N90 VanDerWaalsContact OG1-N 3.16Å; G12-N90 PolarHBondContact O-ND2 2.86Å; G18-N90 VanDerWaalsContact CA-ND2 3.28Å; G18-N90 WeakPolarHBondContact CA-ND2 3.5Å; G18-N90 PolarHBondContact N-ND2 2.94Å; V88-N90 HydrophobicContact CG1-CB 4.29Å; V88-N90 PolarHBondContact O-N 2.92Å; V88-N90 VanDerWaalsContact O-N 3.08Å; N90-G92 PolarHBondContact O-N 2.74Å; N90-V140 HydrophobicContact CB-CB 4.49Å; N90-V140 HydrophobicContact CB-CG2 3.79Å
91A97.1Very high96.7Very high12 Ų1239.7 Ų39.710%0.09923%0.226CC..  trans-53.4133.9175.400000111.2T11 I64T11-A91 PolarHBondContact O-N 3.44Å; T11-A91 WeakPolarHBondContact OG1-CB 3.37Å; T11-A91 PolarHBondContact OG1-N 3.41Å; T11-A91 VanDerWaalsContact OG1-N 3.11Å; I64-A91 HydrophobicContact CD1-CB 4.09Å; I64-A91 HydrophobicContact CG2-CB 4.23Å
92G96.7Very high96.6Very high31 Ų3138.8 Ų38.832%0.3222%0.219SC..  trans169.6160.3177.900000112.1N90 N114N90-G92 PolarHBondContact O-N 2.74Å; G92-N114 WeakPolarHBondContact CA-OD1 3.29Å
93F96.8Very high96.6Very high40 Ų4041.5 Ų41.518%0.17523%0.227CC..  trans-142.5171.7171.275.9-80.9000110.5V106 N109 M110 V113 N114F93-V106 HydrophobicContact CE2-CG1 4.2Å; F93-N109 HydrophobicContact CZ-CB 4.32Å; F93-N109 WeakPolarHBondContact CZ-ND2 3.28Å; F93-M110 HydrophobicContact CD2-CE 4.46Å; F93-M110 HydrophobicContact CE1-CB 4.19Å; F93-M110 HydrophobicContact CE1-CG 4.34Å; F93-M110 HydrophobicContact CE2-CB 4.21Å; F93-M110 HydrophobicContact CE2-CE 4.08Å; F93-M110 HydrophobicContact CE2-CG 4.32Å; F93-M110 VanDerWaalsContact CZ-CA 3.5Å; F93-M110 HydrophobicContact CZ-CB 3.73Å; F93-M110 HydrophobicContact CZ-CG 4.13Å; F93-V113 HydrophobicContact CD1-CB 4.04Å; F93-V113 HydrophobicContact CD1-CG1 4.04Å; F93-V113 HydrophobicContact CD1-CG2 4.21Å; F93-V113 HydrophobicContact CE1-CB 3.89Å; F93-V113 HydrophobicContact CE1-CG1 4.4Å; F93-V113 HydrophobicContact CE1-CG2 3.84Å; F93-N114 PolarHBondContact N-OD1 3.43Å; F93-N114 PolarHBondContact O-ND2 3.33Å; F93-N114 PolarHBondContact O-OD1 3.36Å
94G94.8Very high96.6Very high3 Ų343 Ų433%0.03123%0.234CC..  trans-141.3166.3174.200000110.5A196G94-A196 VanDerWaalsContact O-CA 3.3Å; G94-A196 WeakPolarHBondContact O-CA 3.45Å
95L94.8Very high96.6Very high34 Ų3448.5 Ų48.518%0.17826%0.264CS..  trans-143.1129.9165.9175.463.5000106F102 V106 M110 A196 P198L95-F102 HydrophobicContact CB-CE2 4.21Å; L95-F102 HydrophobicContact CB-CZ 3.99Å; L95-F102 HydrophobicContact CD2-CE2 4.16Å; L95-F102 HydrophobicContact CD2-CZ 3.98Å; L95-F102 HydrophobicContact CG-CE2 4.14Å; L95-F102 HydrophobicContact CG-CZ 4.22Å; L95-V106 HydrophobicContact CB-CG1 4.33Å; L95-V106 HydrophobicContact CD2-CG1 3.88Å; L95-M110 HydrophobicContact CB-CE 4.06Å; L95-M110 VanDerWaalsContact N-CE 3.35Å; L95-A196 CarbonylContact C-O 3.56Å; L95-P198 HydrophobicContact CD1-CG 3.74Å
96F91.8Very high96.5Very high17 Ų1749.2 Ų49.28%0.07527%0.269CS..  trans-100.6106.4177-63-19.2000109.6K151 Y155 F193 A196 D197 Y202 K262F96-K151 CarbonylContact C-O 3.6Å; F96-K151 WeakPolarHBondContact CA-O 3.2Å; F96-K151 HydrophobicContact CB-CB 4.16Å; F96-Y155 HydrophobicContact CE1-CD1 4.1Å; F96-Y155 HydrophobicContact CE1-CG 4.27Å; F96-F193 HydrophobicContact CE2-CD1 4.01Å; F96-F193 AromaticContact CE2-CE1 3.76Å; F96-F193 HydrophobicContact CE2-CE1 3.76Å; F96-F193 AromaticContact CZ-CE1 3.97Å; F96-F193 HydrophobicContact CZ-CE1 3.97Å; F96-A196 VanDerWaalsContact CB-O 3.26Å; F96-A196 WeakPolarHBondContact CB-O 3.39Å; F96-A196 VanDerWaalsContact CG-O 3.3Å; F96-A196 WeakPolarHBondContact CG-O 3.37Å; F96-A196 PolarHBondContact N-O 2.97Å; F96-D197 HydrophobicContact CD2-CB 4.16Å; F96-Y202 HydrophobicContact CE2-CD1 4Å; F96-Y202 HydrophobicContact CE2-CE1 4Å; F96-Y202 HydrophobicContact CE2-CG 4.36Å; F96-K262 HydrophobicContact CD2-CD 3.89Å; F96-K262 HydrophobicContact CD2-CG 4.35Å; F96-K262 HydrophobicContact CE2-CD 4.3Å; F96-K262 HydrophobicContact CG-CD 4.19Å
97D92.6Very high96.5Very high54 Ų5449.8 Ų49.829%0.28927%0.273SS..  trans-151.2157.5177.1-158.21000111.1F102 K151D97-F102 HydrophobicContact CB-CD2 3.75Å; D97-F102 HydrophobicContact CB-CE2 4.15Å; D97-K151 PolarHBondContact N-O 3.33Å; D97-K151 CarbonylContact O-C 3.44Å; D97-K151 VanDerWaalsContact O-CA 3.23Å; D97-K151 WeakPolarHBondContact O-CA 3.49Å; D97-K151 VanDerWaalsContact O-O 3.12Å
98N93.3Very high96.4Very high72 Ų7256.3 Ų56.339%0.38530%0.302SS..  trans-64.2137.1173.6-72.3-40.1000109.9V100 D101 F102N98-V100 VanDerWaalsContact C-N 3.25Å; N98-V100 HydrophobicContact CB-CG2 4.24Å; N98-V100 PolarHBondContact O-N 3.46Å; N98-D101 PolarHBondContact O-N 3.14Å; N98-D101 VanDerWaalsContact O-N 3.09Å; N98-F102 PolarHBondContact O-N 3.22Å; N98-F102 VanDerWaalsContact O-N 3.11Å
99F96.7Very high96.4Very high123 Ų12359.6 Ų59.654%0.53932%0.32SS..G310 helixtrans-60.7-34.7-175.8-177.7-110.9000113.6D101 F102 T153 V154F99-D101 PolarHBondContact O-N 3.42Å; F99-F102 HydrophobicContact CD2-CB 4.48Å; F99-F102 WeakPolarHBondContact O-CB 3.49Å; F99-F102 PolarHBondContact O-N 3.37Å; F99-T153 HydrophobicContact CB-CG2 4.14Å; F99-V154 HydrophobicContact CD2-CG2 4.28Å
100V96.8Very high96.4Very high127 Ų12759.6 Ų59.677%0.7732%0.32SS*.G310 helixtrans-63.6-23.1-179.9-65.50000113.2N98N98-V100 VanDerWaalsContact C-N 3.25Å; N98-V100 HydrophobicContact CB-CG2 4.24Å; N98-V100 PolarHBondContact O-N 3.46Å
101D94.4Very high96.4Very high112 Ų11262 Ų6260%0.59933%0.329SS*.G310 helixtrans-109.3-1.4-179.5-53.8-51.9000112N98 F99N98-D101 PolarHBondContact O-N 3.14Å; N98-D101 VanDerWaalsContact O-N 3.09Å; F99-D101 PolarHBondContact O-N 3.42Å
102F95.7Very high96.5Very high13 Ų1364.3 Ų64.36%0.05734%0.338CS..  trans-75.4128.7-168.2-158.6-74.5000112.1L95 D97 N98 F99 L104 V106 A107 M110 V154L95-F102 HydrophobicContact CB-CE2 4.21Å; L95-F102 HydrophobicContact CB-CZ 3.99Å; L95-F102 HydrophobicContact CD2-CE2 4.16Å; L95-F102 HydrophobicContact CD2-CZ 3.98Å; L95-F102 HydrophobicContact CG-CE2 4.14Å; L95-F102 HydrophobicContact CG-CZ 4.22Å; D97-F102 HydrophobicContact CB-CD2 3.75Å; D97-F102 HydrophobicContact CB-CE2 4.15Å; N98-F102 PolarHBondContact O-N 3.22Å; N98-F102 VanDerWaalsContact O-N 3.11Å; F99-F102 HydrophobicContact CD2-CB 4.48Å; F99-F102 WeakPolarHBondContact O-CB 3.49Å; F99-F102 PolarHBondContact O-N 3.37Å; F102-L104 PolarHBondContact O-N 2.88Å; F102-V106 HydrophobicContact CE1-CB 4.18Å; F102-V106 HydrophobicContact CE1-CG1 4.12Å; F102-V106 HydrophobicContact CZ-CG1 4.29Å; F102-A107 HydrophobicContact CD1-CB 4.09Å; F102-A107 HydrophobicContact CE1-CB 3.86Å; F102-M110 HydrophobicContact CZ-CE 4.05Å; F102-V154 HydrophobicContact CD1-CG2 3.86Å; F102-V154 HydrophobicContact CD2-CG2 4.16Å; F102-V154 HydrophobicContact CE1-CB 4.14Å; F102-V154 HydrophobicContact CE1-CG1 4.24Å; F102-V154 HydrophobicContact CE1-CG2 3.82Å; F102-V154 HydrophobicContact CE2-CB 4.21Å; F102-V154 HydrophobicContact CE2-CG2 4.13Å; F102-V154 HydrophobicContact CG-CG2 4.05Å; F102-V154 HydrophobicContact CZ-CB 3.91Å; F102-V154 HydrophobicContact CZ-CG1 4.25Å; F102-V154 HydrophobicContact CZ-CG2 3.97Å
103D96.9Very high96.6Very high84 Ų8463.1 Ų63.145%0.44932%0.324SS..  trans-65.9116175.1-176.5-11.4000111.9D105 V106 A107D103-D105 VanDerWaalsContact C-N 3.3Å; D103-D105 PolarHBondContact O-N 3.01Å; D103-D105 WeakPolarHBondContact OD1-CB 3.49Å; D103-D105 PolarHBondContact OD1-N 2.92Å; D103-V106 HydrophobicContact CB-CB 4.21Å; D103-V106 HydrophobicContact CB-CG2 3.91Å; D103-V106 WeakPolarHBondContact O-CB 3.35Å; D103-V106 PolarHBondContact O-N 3.16Å; D103-A107 PolarHBondContact O-N 2.79Å
104L97.8Very high96.7Very high120 Ų12061.2 Ų61.263%0.62832%0.316SS*.Hα-helixtrans-68-24.9-178.2-66.4-177.4000113.7F102 A107 K108F102-L104 PolarHBondContact O-N 2.88Å; L104-A107 WeakPolarHBondContact O-CB 3.37Å; L104-A107 PolarHBondContact O-N 2.95Å; L104-K108 PolarHBondContact O-N 3.36Å
105D98.4Very high96.9Very high124 Ų12461.5 Ų61.566%0.66332%0.317SS*.Hα-helixtrans-70.6-38.5174.1-74.3-34.1000110.5D103 A107 K108 N109D103-D105 VanDerWaalsContact C-N 3.3Å; D103-D105 PolarHBondContact O-N 3.01Å; D103-D105 WeakPolarHBondContact OD1-CB 3.49Å; D103-D105 PolarHBondContact OD1-N 2.92Å; D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 PolarHBondContact O-N 2.85Å; D105-K108 PolarHBondContact O-N 3.21Å; D105-N109 WeakPolarHBondContact O-CB 3.47Å; D105-N109 PolarHBondContact O-N 3.02Å
106V97.6Very high97Very high39 Ų3964 Ų6424%0.23633%0.33CS..Hα-helixtrans-63.3-40.5170.4178.60000110.4F93 L95 F102 D103 N109 M110F93-V106 HydrophobicContact CE2-CG1 4.2Å; L95-V106 HydrophobicContact CB-CG1 4.33Å; L95-V106 HydrophobicContact CD2-CG1 3.88Å; F102-V106 HydrophobicContact CE1-CB 4.18Å; F102-V106 HydrophobicContact CE1-CG1 4.12Å; F102-V106 HydrophobicContact CZ-CG1 4.29Å; D103-V106 HydrophobicContact CB-CB 4.21Å; D103-V106 HydrophobicContact CB-CG2 3.91Å; D103-V106 WeakPolarHBondContact O-CB 3.35Å; D103-V106 PolarHBondContact O-N 3.16Å; V106-N109 PolarHBondContact O-N 3.12Å; V106-M110 HydrophobicContact CG1-CE 4.49Å; V106-M110 WeakPolarHBondContact O-CB 3.4Å; V106-M110 PolarHBondContact O-N 3.46Å
107A98.2Very high97.4Very high12 Ų1263.4 Ų63.410%0.09933%0.329CS..Hα-helixtrans-62.1-48177.600000111.7F102 D103 L104 D105 N109 M110 F111 V154F102-A107 HydrophobicContact CD1-CB 4.09Å; F102-A107 HydrophobicContact CE1-CB 3.86Å; D103-A107 PolarHBondContact O-N 2.79Å; L104-A107 WeakPolarHBondContact O-CB 3.37Å; L104-A107 PolarHBondContact O-N 2.95Å; D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 PolarHBondContact O-N 2.85Å; A107-N109 PolarHBondContact O-N 2.9Å; A107-M110 WeakPolarHBondContact O-CB 3.34Å; A107-M110 PolarHBondContact O-N 2.92Å; A107-F111 WeakPolarHBondContact O-CD2 3.47Å; A107-F111 PolarHBondContact O-N 3.22Å; A107-F111 VanDerWaalsContact O-N 3.07Å; A107-V154 HydrophobicContact CB-CG1 3.77Å; A107-V154 HydrophobicContact CB-CG2 4.11Å
108K98.5Very high97.6Very high137 Ų13760.9 Ų60.960%0.59632%0.315SS*.Hα-helixtrans-56.6-52.7175.6-178.4-179.1175.8-174.50111L104 D105 M110 F111 E112L104-K108 PolarHBondContact O-N 3.36Å; D105-K108 PolarHBondContact O-N 3.21Å; K108-M110 PolarHBondContact O-N 3.25Å; K108-F111 WeakPolarHBondContact O-CB 3.5Å; K108-F111 PolarHBondContact O-N 2.81Å; K108-E112 WeakPolarHBondContact O-CG 3.31Å; K108-E112 PolarHBondContact O-N 3.28Å
109N98.5Very high97.9Very high70 Ų7060.4 Ų60.437%0.37431%0.311SS..Hα-helixtrans-59.7-34.8178.8-175.144.3000112.5F93 D105 V106 A107 F111 E112 V113F93-N109 HydrophobicContact CZ-CB 4.32Å; F93-N109 WeakPolarHBondContact CZ-ND2 3.28Å; D105-N109 WeakPolarHBondContact O-CB 3.47Å; D105-N109 PolarHBondContact O-N 3.02Å; V106-N109 PolarHBondContact O-N 3.12Å; A107-N109 PolarHBondContact O-N 2.9Å; N109-F111 VanDerWaalsContact C-N 3.34Å; N109-E112 PolarHBondContact O-N 3.11Å; N109-V113 WeakPolarHBondContact O-CG2 3.47Å; N109-V113 PolarHBondContact O-N 2.76Å
110M98.5Very high98Very high0 Ų057.5 Ų57.50%030%0.297CS..Hα-helixtrans-65.9-37.2175.4-163-176.8-58.200111.9F93 L95 F102 V106 A107 K108 N114 V154 Y155 T158F93-M110 HydrophobicContact CD2-CE 4.46Å; F93-M110 HydrophobicContact CE1-CB 4.19Å; F93-M110 HydrophobicContact CE1-CG 4.34Å; F93-M110 HydrophobicContact CE2-CB 4.21Å; F93-M110 HydrophobicContact CE2-CE 4.08Å; F93-M110 HydrophobicContact CE2-CG 4.32Å; F93-M110 VanDerWaalsContact CZ-CA 3.5Å; F93-M110 HydrophobicContact CZ-CB 3.73Å; F93-M110 HydrophobicContact CZ-CG 4.13Å; L95-M110 HydrophobicContact CB-CE 4.06Å; L95-M110 VanDerWaalsContact N-CE 3.35Å; F102-M110 HydrophobicContact CZ-CE 4.05Å; V106-M110 HydrophobicContact CG1-CE 4.49Å; V106-M110 WeakPolarHBondContact O-CB 3.4Å; V106-M110 PolarHBondContact O-N 3.46Å; A107-M110 WeakPolarHBondContact O-CB 3.34Å; A107-M110 PolarHBondContact O-N 2.92Å; K108-M110 PolarHBondContact O-N 3.25Å; M110-N114 VanDerWaalsContact CG-ND2 3.33Å; M110-N114 WeakPolarHBondContact CG-ND2 3.4Å; M110-N114 WeakPolarHBondContact O-CA 3.39Å; M110-N114 WeakPolarHBondContact O-CB 3.49Å; M110-N114 VanDerWaalsContact O-CG 3.32Å; M110-N114 PolarHBondContact O-N 3.12Å; M110-V154 HydrophobicContact CE-CG1 4.37Å; M110-V154 HydrophobicContact SD-CG1 3.97Å; M110-Y155 HydrophobicContact SD-CD2 4.13Å; M110-T158 HydrophobicContact CB-CG2 4.47Å; M110-T158 HydrophobicContact CG-CG2 4.02Å; M110-T158 HydrophobicContact SD-CG2 4.3Å
111F98.8Very high98.1Very high78 Ų7851.5 Ų51.534%0.34226%0.261SS..Hα-helixtrans-68.9-40.5172.5-89.9-92.5000112.6A107 K108 N109 V115 L116 V154 A157 T158A107-F111 WeakPolarHBondContact O-CD2 3.47Å; A107-F111 PolarHBondContact O-N 3.22Å; A107-F111 VanDerWaalsContact O-N 3.07Å; K108-F111 WeakPolarHBondContact O-CB 3.5Å; K108-F111 PolarHBondContact O-N 2.81Å; N109-F111 VanDerWaalsContact C-N 3.34Å; F111-V115 HydrophobicContact CD1-CB 4.37Å; F111-V115 HydrophobicContact CD1-CG2 3.92Å; F111-V115 HydrophobicContact CE1-CG2 4.38Å; F111-V115 WeakPolarHBondContact O-CA 3.26Å; F111-V115 VanDerWaalsContact O-CB 3.29Å; F111-V115 WeakPolarHBondContact O-CB 3.41Å; F111-V115 PolarHBondContact O-N 3.43Å; F111-L116 PolarHBondContact O-N 3.34Å; F111-V154 HydrophobicContact CE2-CG1 4.31Å; F111-A157 HydrophobicContact CE2-CB 4.48Å; F111-A157 HydrophobicContact CZ-CB 3.97Å; F111-T158 HydrophobicContact CD1-CG2 4.21Å; F111-T158 HydrophobicContact CD2-CG2 3.69Å; F111-T158 HydrophobicContact CE1-CG2 4.24Å; F111-T158 HydrophobicContact CE2-CG2 3.73Å; F111-T158 HydrophobicContact CG-CG2 3.95Å; F111-T158 HydrophobicContact CZ-CG2 4.02Å
112E98.7Very high98.3Very high61 Ų6146.2 Ų46.229%0.28523%0.232SC..Iπ-helixtrans-58.3-49.8175.1-63.7-59.5165.500110.8A65 K108 N109 L116 G117A65-E112 HydrophobicContact CB-CB 3.86Å; K108-E112 WeakPolarHBondContact O-CG 3.31Å; K108-E112 PolarHBondContact O-N 3.28Å; N109-E112 PolarHBondContact O-N 3.11Å; E112-L116 WeakPolarHBondContact OE2-CD1 3.35Å; E112-G117 WeakPolarHBondContact O-CA 3.44Å; E112-G117 PolarHBondContact O-N 2.87Å
113V98.6Very high98.4Very high6 Ų651.2 Ų51.24%0.03626%0.256CS..Iπ-helixtrans-73.9-52-178.4176.30000112.6I64 A65 F93 N109I64-V113 HydrophobicContact CG2-CB 4.29Å; I64-V113 HydrophobicContact CG2-CG1 3.77Å; I64-V113 HydrophobicContact CG2-CG2 4.49Å; A65-V113 HydrophobicContact CB-CG2 3.82Å; F93-V113 HydrophobicContact CD1-CB 4.04Å; F93-V113 HydrophobicContact CD1-CG1 4.04Å; F93-V113 HydrophobicContact CD1-CG2 4.21Å; F93-V113 HydrophobicContact CE1-CB 3.89Å; F93-V113 HydrophobicContact CE1-CG1 4.4Å; F93-V113 HydrophobicContact CE1-CG2 3.84Å; N109-V113 WeakPolarHBondContact O-CG2 3.47Å; N109-V113 PolarHBondContact O-N 2.76Å
114N98.7Very high98.5Very high0 Ų049.9 Ų49.90%025%0.246CC..Iπ-helixtrans-81.8-15-168.8-64.8-1.6000113.2G92 F93 M110 T158 V162G92-N114 WeakPolarHBondContact CA-OD1 3.29Å; F93-N114 PolarHBondContact N-OD1 3.43Å; F93-N114 PolarHBondContact O-ND2 3.33Å; F93-N114 PolarHBondContact O-OD1 3.36Å; M110-N114 VanDerWaalsContact CG-ND2 3.33Å; M110-N114 WeakPolarHBondContact CG-ND2 3.4Å; M110-N114 WeakPolarHBondContact O-CA 3.39Å; M110-N114 WeakPolarHBondContact O-CB 3.49Å; M110-N114 VanDerWaalsContact O-CG 3.32Å; M110-N114 PolarHBondContact O-N 3.12Å; N114-T158 HydrophobicContact CB-CG2 4.3Å; N114-T158 PolarHBondContact ND2-OG1 3.43Å; N114-T158 VanDerWaalsContact ND2-OG1 3.15Å; N114-V162 WeakPolarHBondContact O-CG2 3.5Å
115V98.8Very high98.6Very high8 Ų844.5 Ų44.55%0.04822%0.218CC..Iπ-helixtrans-128.5-70.2-172.7-169.80000111F111 I118 M119 T158 A161F111-V115 HydrophobicContact CD1-CB 4.37Å; F111-V115 HydrophobicContact CD1-CG2 3.92Å; F111-V115 HydrophobicContact CE1-CG2 4.38Å; F111-V115 WeakPolarHBondContact O-CA 3.26Å; F111-V115 VanDerWaalsContact O-CB 3.29Å; F111-V115 WeakPolarHBondContact O-CB 3.41Å; F111-V115 PolarHBondContact O-N 3.43Å; V115-I118 PolarHBondContact O-N 3.36Å; V115-M119 HydrophobicContact CG1-CE 3.58Å; V115-M119 HydrophobicContact CG1-SD 3.99Å; V115-M119 VanDerWaalsContact O-CG 3.3Å; V115-M119 WeakPolarHBondContact O-CG 3.26Å; V115-M119 PolarHBondContact O-N 2.59Å; V115-T158 HydrophobicContact CG2-CG2 4.09Å; V115-A161 HydrophobicContact CG1-CB 3.95Å; V115-A161 HydrophobicContact CG2-CB 4.09Å
116L98.8Very high98.6Very high86 Ų8639 Ų3945%0.4519%0.19SC..Iπ-helixtrans-66.6-45.5-169.4-63.7179.9000112F111 E112 I118 M119 Y120F111-L116 PolarHBondContact O-N 3.34Å; E112-L116 WeakPolarHBondContact OE2-CD1 3.35Å; L116-I118 PolarHBondContact O-N 3.47Å; L116-M119 HydrophobicContact CD2-SD 4.36Å; L116-M119 WeakPolarHBondContact O-CB 3.44Å; L116-M119 PolarHBondContact O-N 3.35Å; L116-Y120 WeakPolarHBondContact O-CB 3.33Å; L116-Y120 PolarHBondContact O-N 3.1Å
117G98.7Very high98.6Very high5 Ų541.7 Ų41.75%0.05220%0.202CC..Hα-helixtrans-58.5-44.4174.900000113I64 E112 Y120 F121I64-G117 WeakPolarHBondContact O-CA 3.31Å; E112-G117 WeakPolarHBondContact O-CA 3.44Å; E112-G117 PolarHBondContact O-N 2.87Å; G117-Y120 PolarHBondContact O-N 3.21Å; G117-F121 VanDerWaalsContact O-CB 3.29Å; G117-F121 WeakPolarHBondContact O-CB 3.43Å; G117-F121 PolarHBondContact O-N 3.42Å
118I98.2Very high98.6Very high2 Ų242.5 Ų42.51%0.0121%0.207CC..Hα-helixtrans-62.2-45.3174.8-75.7176.3000110.9I64 N89 V115 L116 Y120 T122I64-I118 HydrophobicContact CD1-CG1 3.97Å; N89-I118 HydrophobicContact CB-CD1 4.2Å; N89-I118 HydrophobicContact CB-CG1 4.18Å; N89-I118 HydrophobicContact CB-CG2 3.93Å; V115-I118 PolarHBondContact O-N 3.36Å; L116-I118 PolarHBondContact O-N 3.47Å; I118-Y120 VanDerWaalsContact C-N 3.33Å; I118-Y120 PolarHBondContact O-N 3.36Å; I118-T122 WeakPolarHBondContact O-CB 3.35Å; I118-T122 PolarHBondContact O-N 3.28Å; I118-T122 PolarHBondContact O-OG1 3.08Å
119M98.8Very high98.6Very high61 Ų6136 Ų3630%0.318%0.179SC..Hα-helixtrans-59.6-46.1178.6-72.9171.8173.100111.1V115 L116 T122 Q123 F165V115-M119 HydrophobicContact CG1-CE 3.58Å; V115-M119 HydrophobicContact CG1-SD 3.99Å; V115-M119 VanDerWaalsContact O-CG 3.3Å; V115-M119 WeakPolarHBondContact O-CG 3.26Å; V115-M119 PolarHBondContact O-N 2.59Å; L116-M119 HydrophobicContact CD2-SD 4.36Å; L116-M119 WeakPolarHBondContact O-CB 3.44Å; L116-M119 PolarHBondContact O-N 3.35Å; M119-T122 PolarHBondContact O-N 3.03Å; M119-Q123 WeakPolarHBondContact O-CB 3.37Å; M119-Q123 PolarHBondContact O-N 3.27Å; M119-F165 HydrophobicContact CB-CE2 4.43Å; M119-F165 HydrophobicContact CB-CZ 4.37Å; M119-F165 HydrophobicContact CE-CB 3.73Å; M119-F165 HydrophobicContact CE-CD2 3.91Å; M119-F165 HydrophobicContact CE-CG 3.86Å; M119-F165 HydrophobicContact CG-CD1 4.21Å; M119-F165 HydrophobicContact CG-CD2 3.92Å; M119-F165 HydrophobicContact CG-CE1 4.17Å; M119-F165 HydrophobicContact CG-CE2 3.88Å; M119-F165 HydrophobicContact CG-CG 4.08Å; M119-F165 HydrophobicContact CG-CZ 4Å
120Y98.7Very high98.6Very high63 Ų6335.4 Ų35.425%0.24718%0.177CC..Hα-helixtrans-67-50.2-178.2-175.1-152.6000112.2P67 V70 E71 L116 G117 I118 T122 Q123 K124P67-Y120 HydrophobicContact CB-CD1 4.24Å; P67-Y120 HydrophobicContact CB-CE1 3.63Å; V70-Y120 HydrophobicContact CB-CD1 3.85Å; V70-Y120 HydrophobicContact CB-CE1 3.91Å; V70-Y120 HydrophobicContact CG1-CD1 3.58Å; V70-Y120 HydrophobicContact CG1-CE1 3.76Å; V70-Y120 HydrophobicContact CG1-CG 4.1Å; V70-Y120 HydrophobicContact CG2-CD1 4.17Å; E71-Y120 HydrophobicContact CG-CE1 4.48Å; E71-Y120 WeakPolarHBondContact CG-OH 3.38Å; E71-Y120 PolarHBondContact OE1-OH 3.38Å; L116-Y120 WeakPolarHBondContact O-CB 3.33Å; L116-Y120 PolarHBondContact O-N 3.1Å; G117-Y120 PolarHBondContact O-N 3.21Å; I118-Y120 VanDerWaalsContact C-N 3.33Å; I118-Y120 PolarHBondContact O-N 3.36Å; Y120-T122 VanDerWaalsContact C-N 3.26Å; Y120-T122 PolarHBondContact O-N 3.12Å; Y120-Q123 WeakPolarHBondContact O-CB 3.27Å; Y120-Q123 PolarHBondContact O-N 3.15Å; Y120-Q123 VanDerWaalsContact O-N 3.15Å; Y120-K124 HydrophobicContact CD2-CG 4.19Å; Y120-K124 HydrophobicContact CE2-CD 4.31Å; Y120-K124 HydrophobicContact CE2-CG 4.1Å; Y120-K124 WeakPolarHBondContact O-CG 3.47Å; Y120-K124 PolarHBondContact O-N 3.31Å; Y120-K124 VanDerWaalsContact O-N 3.13Å
121F98.7Very high98.6Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-59.2-40.1176.7-161.6-94.2000111.5V9 T11 L62 I64 V70 V73 I74 I77 L87 G117 K124 I125V9-F121 HydrophobicContact CG1-CE1 3.89Å; V9-F121 HydrophobicContact CG1-CZ 4.08Å; T11-F121 HydrophobicContact CG2-CD1 3.75Å; T11-F121 HydrophobicContact CG2-CE1 3.58Å; T11-F121 HydrophobicContact CG2-CG 4.4Å; T11-F121 HydrophobicContact CG2-CZ 4.14Å; L62-F121 HydrophobicContact CD1-CD2 4.4Å; L62-F121 HydrophobicContact CD1-CE2 4.26Å; L62-F121 HydrophobicContact CD2-CD2 4.08Å; L62-F121 HydrophobicContact CD2-CE2 3.76Å; L62-F121 HydrophobicContact CD2-CZ 4.24Å; I64-F121 HydrophobicContact CD1-CB 4.37Å; I64-F121 HydrophobicContact CG1-CB 4.49Å; V70-F121 HydrophobicContact CG1-CB 4.43Å; V70-F121 HydrophobicContact CG1-CD2 3.91Å; V70-F121 HydrophobicContact CG2-CD2 4.3Å; V73-F121 HydrophobicContact CG1-CE2 4Å; V73-F121 HydrophobicContact CG1-CZ 4.34Å; I74-F121 HydrophobicContact CD1-CD2 4.16Å; I74-F121 HydrophobicContact CD1-CE2 3.86Å; I74-F121 HydrophobicContact CD1-CZ 4.09Å; I74-F121 HydrophobicContact CG1-CD2 4.44Å; I74-F121 HydrophobicContact CG1-CE2 4.27Å; I77-F121 HydrophobicContact CD1-CZ 4.18Å; L87-F121 HydrophobicContact CD1-CD1 3.95Å; L87-F121 HydrophobicContact CD1-CE1 3.77Å; L87-F121 HydrophobicContact CD2-CD1 4.44Å; G117-F121 VanDerWaalsContact O-CB 3.29Å; G117-F121 WeakPolarHBondContact O-CB 3.43Å; G117-F121 PolarHBondContact O-N 3.42Å; F121-K124 PolarHBondContact O-N 3.2Å; F121-I125 HydrophobicContact CD1-CD1 3.79Å; F121-I125 HydrophobicContact CE1-CD1 3.33Å; F121-I125 HydrophobicContact CZ-CD1 4.02Å; F121-I125 PolarHBondContact O-N 2.88Å
122T98.9Very high98.6Very high1 Ų141.2 Ų41.21%0.00621%0.212CC..Hα-helixtrans-64.6-44.8175.6-58.80000112L87 N89 I118 M119 Y120 K124 I125 A126 I137 F165 L169L87-T122 HydrophobicContact CD2-CG2 4.39Å; N89-T122 PolarHBondContact ND2-OG1 3.2Å; I118-T122 WeakPolarHBondContact O-CB 3.35Å; I118-T122 PolarHBondContact O-N 3.28Å; I118-T122 PolarHBondContact O-OG1 3.08Å; M119-T122 PolarHBondContact O-N 3.03Å; Y120-T122 VanDerWaalsContact C-N 3.26Å; Y120-T122 PolarHBondContact O-N 3.12Å; T122-K124 VanDerWaalsContact C-N 3.3Å; T122-K124 PolarHBondContact O-N 2.93Å; T122-I125 PolarHBondContact O-N 3.18Å; T122-A126 WeakPolarHBondContact O-CB 3.48Å; T122-A126 PolarHBondContact O-N 3.03Å; T122-I137 HydrophobicContact CG2-CD1 3.9Å; T122-I137 HydrophobicContact CG2-CG2 4.1Å; T122-F165 HydrophobicContact CG2-CE1 4.35Å; T122-F165 HydrophobicContact CG2-CZ 4.12Å; T122-L169 HydrophobicContact CG2-CD2 3.81Å
123Q98.7Very high98.5Very high118 Ų11845.4 Ų45.455%0.55123%0.229SC*.Hα-helixtrans-57.4-46.7179.4-178-174.455.500110.7M119 Y120 I125 A126 I127M119-Q123 WeakPolarHBondContact O-CB 3.37Å; M119-Q123 PolarHBondContact O-N 3.27Å; Y120-Q123 WeakPolarHBondContact O-CB 3.27Å; Y120-Q123 PolarHBondContact O-N 3.15Å; Y120-Q123 VanDerWaalsContact O-N 3.15Å; Q123-I125 PolarHBondContact O-N 3.25Å; Q123-A126 PolarHBondContact O-N 3.11Å; Q123-I127 WeakPolarHBondContact O-CG1 3.11Å; Q123-I127 PolarHBondContact O-N 3.36Å
124K98.6Very high98.5Very high57 Ų5747 Ų4725%0.24824%0.241CC..Hα-helixtrans-60.2-44.2-178.9-68.4-68.8178.4155.60112.9E71 I74 Y120 F121 T122E71-K124 WeakPolarHBondContact OE1-CE 3.13Å; E71-K124 IonicContact OE1-NZ 2.72Å; E71-K124 PolarHBondContact OE1-NZ 3.28Å; E71-K124 WeakPolarHBondContact OE2-CE 3.11Å; E71-K124 IonicContact OE2-NZ 2.81Å; E71-K124 PolarHBondContact OE2-NZ 3.06Å; I74-K124 HydrophobicContact CD1-CB 3.75Å; I74-K124 HydrophobicContact CG1-CB 3.77Å; I74-K124 HydrophobicContact CG1-CG 4.22Å; I74-K124 HydrophobicContact CG2-CB 4.1Å; Y120-K124 HydrophobicContact CD2-CG 4.19Å; Y120-K124 HydrophobicContact CE2-CD 4.31Å; Y120-K124 HydrophobicContact CE2-CG 4.1Å; Y120-K124 WeakPolarHBondContact O-CG 3.47Å; Y120-K124 PolarHBondContact O-N 3.31Å; Y120-K124 VanDerWaalsContact O-N 3.13Å; F121-K124 PolarHBondContact O-N 3.2Å; T122-K124 VanDerWaalsContact C-N 3.3Å; T122-K124 PolarHBondContact O-N 2.93Å
125I98.7Very high98.5Very high6 Ų647.2 Ų47.23%0.03124%0.243CC..Hα-helixtrans-74-38.1176.6-71174.4000111.9V9 I74 V84 L87 F121 T122 Q123 I127 S128 M129V9-I125 HydrophobicContact CG1-CD1 4.34Å; I74-I125 HydrophobicContact CD1-CD1 4.16Å; I74-I125 HydrophobicContact CD1-CG1 3.74Å; V84-I125 HydrophobicContact CB-CG2 3.93Å; V84-I125 HydrophobicContact CG1-CG2 3.96Å; V84-I125 HydrophobicContact CG2-CD1 4.49Å; V84-I125 HydrophobicContact CG2-CG2 4.46Å; L87-I125 HydrophobicContact CB-CG2 4.27Å; L87-I125 HydrophobicContact CD1-CD1 3.75Å; L87-I125 HydrophobicContact CD2-CB 4.2Å; L87-I125 HydrophobicContact CD2-CD1 3.97Å; L87-I125 HydrophobicContact CD2-CG2 4.25Å; L87-I125 HydrophobicContact CG-CD1 4.3Å; F121-I125 HydrophobicContact CD1-CD1 3.79Å; F121-I125 HydrophobicContact CE1-CD1 3.33Å; F121-I125 HydrophobicContact CZ-CD1 4.02Å; F121-I125 PolarHBondContact O-N 2.88Å; T122-I125 PolarHBondContact O-N 3.18Å; Q123-I125 PolarHBondContact O-N 3.25Å; I125-I127 PolarHBondContact O-N 3.02Å; I125-S128 PolarHBondContact O-N 3.43Å; I125-S128 PolarHBondContact O-OG 3.33Å; I125-M129 HydrophobicContact CG2-CE 3.65Å; I125-M129 HydrophobicContact CG2-CG 4.29Å; I125-M129 HydrophobicContact CG2-SD 4.07Å; I125-M129 PolarHBondContact O-N 2.66Å
126A98.6Very high98.5Very high9 Ų946.9 Ų46.97%0.07424%0.241CC..Hα-helixtrans-63.9-28.9-177.100000112.4T122 Q123 S128 M129 V130 I137 L173T122-A126 WeakPolarHBondContact O-CB 3.48Å; T122-A126 PolarHBondContact O-N 3.03Å; Q123-A126 PolarHBondContact O-N 3.11Å; A126-S128 PolarHBondContact O-N 3.28Å; A126-M129 PolarHBondContact O-N 3.48Å; A126-V130 WeakPolarHBondContact O-CB 3.38Å; A126-V130 VanDerWaalsContact O-CG2 3.28Å; A126-V130 WeakPolarHBondContact O-CG2 3.44Å; A126-V130 PolarHBondContact O-N 2.93Å; A126-I137 HydrophobicContact CB-CD1 4.18Å; A126-L173 HydrophobicContact CB-CD1 4.32Å
127I98.4Very high98.5Very high95 Ų9542.8 Ų42.849%0.48722%0.219SC..Hα-helixtrans-56.5-49.7175.7-70.7161.4000111.1Q123 I125 V130 N131Q123-I127 WeakPolarHBondContact O-CG1 3.11Å; Q123-I127 PolarHBondContact O-N 3.36Å; I125-I127 PolarHBondContact O-N 3.02Å; I127-V130 PolarHBondContact O-N 2.62Å; I127-N131 PolarHBondContact O-N 3.29Å; I127-N131 PolarHBondContact O-ND2 3.44Å
128S97.6Very high98.5Very high30 Ų3042.5 Ų42.521%0.2122%0.217CC..Hα-helixtrans-70.1-38.8178.762.10000111.9I125 A126 V130 N131 N132I125-S128 PolarHBondContact O-N 3.43Å; I125-S128 PolarHBondContact O-OG 3.33Å; A126-S128 PolarHBondContact O-N 3.28Å; S128-V130 VanDerWaalsContact C-N 3.29Å; S128-V130 PolarHBondContact O-N 2.87Å; S128-N131 PolarHBondContact O-N 2.78Å; S128-N132 WeakPolarHBondContact O-CB 3.49Å; S128-N132 PolarHBondContact O-N 3.37Å
129M98.7Very high98.6Very high1 Ų142.4 Ų42.41%0.00522%0.216CC..Hα-helixtrans-57.9-40.1174.8-68.5-176.8168.100112.6V84 L87 I125 A126 N132 K133 S134 I137 V178V84-M129 HydrophobicContact CB-CE 4.47Å; V84-M129 HydrophobicContact CG1-CE 4.02Å; V84-M129 VanDerWaalsContact O-CE 3.24Å; V84-M129 WeakPolarHBondContact O-CE 3.3Å; L87-M129 HydrophobicContact CB-CE 4.22Å; I125-M129 HydrophobicContact CG2-CE 3.65Å; I125-M129 HydrophobicContact CG2-CG 4.29Å; I125-M129 HydrophobicContact CG2-SD 4.07Å; I125-M129 PolarHBondContact O-N 2.66Å; A126-M129 PolarHBondContact O-N 3.48Å; M129-N132 PolarHBondContact O-N 3.37Å; M129-K133 PolarHBondContact O-N 3.5Å; M129-S134 WeakPolarHBondContact CA-O 3.44Å; M129-S134 WeakPolarHBondContact CB-O 3.27Å; M129-S134 PolarHBondContact O-N 3.45Å; M129-S134 VanDerWaalsContact O-N 3.1Å; M129-I137 HydrophobicContact CE-CG1 4.36Å; M129-I137 HydrophobicContact SD-CD1 4.07Å; M129-I137 HydrophobicContact SD-CG1 3.77Å; M129-V178 HydrophobicContact CB-CG1 4.19Å; M129-V178 HydrophobicContact CB-CG2 3.71Å; M129-V178 WeakPolarHBondContact O-CG2 3.24Å; M129-V178 HydrophobicContact SD-CG1 3.95Å
130V98.7Very high98.6Very high56 Ų5640.1 Ų40.134%0.33921%0.206SC..Hα-helixtrans-66-44.6176.5168.10000111.3A126 I127 S128 N132 K133 L173 A176A126-V130 WeakPolarHBondContact O-CB 3.38Å; A126-V130 VanDerWaalsContact O-CG2 3.28Å; A126-V130 WeakPolarHBondContact O-CG2 3.44Å; A126-V130 PolarHBondContact O-N 2.93Å; I127-V130 PolarHBondContact O-N 2.62Å; S128-V130 VanDerWaalsContact C-N 3.29Å; S128-V130 PolarHBondContact O-N 2.87Å; V130-N132 VanDerWaalsContact C-N 3.29Å; V130-N132 PolarHBondContact O-N 2.81Å; V130-K133 PolarHBondContact O-N 3.15Å; V130-K133 VanDerWaalsContact O-N 3.12Å; V130-L173 HydrophobicContact CG2-CD2 3.65Å; V130-A176 HydrophobicContact CB-CB 4.28Å; V130-A176 HydrophobicContact CG1-CB 4.07Å; V130-A176 HydrophobicContact CG2-CB 4.01Å
131N98.2Very high98.5Very high121 Ų12137.1 Ų37.165%0.64719%0.194SC*.Hα-helixtrans-61-40.3176.7-69.7-23.4000111.7I127 S128 K133I127-N131 PolarHBondContact O-N 3.29Å; I127-N131 PolarHBondContact O-ND2 3.44Å; S128-N131 PolarHBondContact O-N 2.78Å; N131-K133 VanDerWaalsContact C-N 3.27Å; N131-K133 PolarHBondContact O-N 2.87Å
132N97.9Very high98.4Very high79 Ų7937.7 Ų37.742%0.42220%0.198SC..THydrogen-bonded Turntrans-79.5-8.4178.6-69.2-16000113.6D83 S128 M129 V130 S134D83-N132 PolarHBondContact OD1-ND2 3.4Å; D83-N132 PolarHBondContact OD2-ND2 3.13Å; S128-N132 WeakPolarHBondContact O-CB 3.49Å; S128-N132 PolarHBondContact O-N 3.37Å; M129-N132 PolarHBondContact O-N 3.37Å; V130-N132 VanDerWaalsContact C-N 3.29Å; V130-N132 PolarHBondContact O-N 2.81Å; N132-S134 PolarHBondContact O-N 3.26Å
133K98.3Very high98.2Very high149 Ų14938 Ų3865%0.64820%0.199SC*.THydrogen-bonded Turntrans51.534.6-174.8-56.4-179.3-178.1177.70113.2M129 V130 N131 A176 N177M129-K133 PolarHBondContact O-N 3.5Å; V130-K133 PolarHBondContact O-N 3.15Å; V130-K133 VanDerWaalsContact O-N 3.12Å; N131-K133 VanDerWaalsContact C-N 3.27Å; N131-K133 PolarHBondContact O-N 2.87Å; K133-A176 CarbonylContact C-O 3.45Å; K133-A176 WeakPolarHBondContact CA-O 3.39Å; K133-N177 WeakPolarHBondContact O-CB 3.41Å; K133-N177 PolarHBondContact O-ND2 3.32Å; K133-N177 VanDerWaalsContact O-ND2 3.15Å
134S98.4Very high97.9Very high41 Ų4133 Ų3329%0.28718%0.179SC..  trans-158.9136.5-175.5178.20000109.6M129 N132M129-S134 WeakPolarHBondContact CA-O 3.44Å; M129-S134 WeakPolarHBondContact CB-O 3.27Å; M129-S134 PolarHBondContact O-N 3.45Å; M129-S134 VanDerWaalsContact O-N 3.1Å; N132-S134 PolarHBondContact O-N 3.26Å
135G98.6Very high97.6Very high4 Ų430.3 Ų30.34%0.04117%0.167CC..EExtended strand (participates in β ladder)trans167162.4174.500000111.7D85 V178 Y179D85-G135 CarbonylContact O-C 3.59Å; D85-G135 WeakPolarHBondContact O-CA 3.33Å; G135-V178 WeakPolarHBondContact O-CA 3.07Å; G135-Y179 PolarHBondContact O-N 2.5Å
136H98.9Very high97.3Very high0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-140.7115.7171.7-160.2159.6000111D85 V86 L87 F138 Y179 T181 K223 G225 K226D85-H136 PolarHBondContact O-N 3.12Å; V86-H136 CarbonylContact C-O 3.59Å; V86-H136 VanDerWaalsContact CA-O 3.29Å; V86-H136 WeakPolarHBondContact CA-O 3.28Å; V86-H136 WeakPolarHBondContact CG1-O 3.33Å; V86-H136 HydrophobicContact CG2-CB 4.39Å; L87-H136 PolarHBondContact N-O 2.9Å; H136-F138 HydrophobicContact CB-CE2 4.05Å; H136-F138 AromaticContact CD2-CD2 3.8Å; H136-F138 AromaticContact CD2-CE2 3.36Å; H136-F138 WeakPolarHBondContact CD2-CE2 3.16Å; H136-F138 AromaticContact CD2-CZ 3.73Å; H136-F138 AromaticContact CE1-CE1 3.99Å; H136-F138 AromaticContact CE1-CE2 3.59Å; H136-F138 AromaticContact CE1-CZ 3.21Å; H136-F138 WeakPolarHBondContact CE1-CZ 3.4Å; H136-F138 AromaticContact CG-CE2 3.37Å; H136-F138 AromaticContact CG-CZ 3.86Å; H136-F138 AromaticContact ND1-CE2 3.52Å; H136-F138 AromaticContact ND1-CZ 3.56Å; H136-F138 AromaticContact NE2-CE1 3.84Å; H136-F138 AromaticContact NE2-CE2 3.53Å; H136-F138 AromaticContact NE2-CZ 3.34Å; H136-F138 VanDerWaalsContact NE2-CZ 3.34Å; H136-F138 WeakPolarHBondContact NE2-CZ 3.49Å; H136-Y179 CarbonylContact C-O 3.06Å; H136-Y179 WeakPolarHBondContact CA-O 3.3Å; H136-Y179 PolarHBondContact CD2-O 3.37Å; H136-T181 PolarHBondContact CE1-OG1 3.31Å; H136-T181 PolarHBondContact NE2-OG1 3.42Å; H136-K223 PolarHBondContact CE1-O 3.08Å; H136-K223 VanDerWaalsContact CE1-O 3.31Å; H136-G225 PolarHBondContact ND1-N 3.44Å; H136-K226 PolarHBondContact CE1-O 3.04Å
137I98.9Very high96.8Very high0 Ų033.4 Ų33.40%018%0.18CC..EExtended strand (participates in β ladder)trans-98.1127.9176-60.7159.8000109.3L87 T122 A126 M129 L169 L173 V178 Y179 V180 T181L87-I137 HydrophobicContact CB-CG1 4.34Å; L87-I137 HydrophobicContact CD2-CG2 4.37Å; L87-I137 CarbonylContact O-C 3.4Å; L87-I137 WeakPolarHBondContact O-CA 3.23Å; T122-I137 HydrophobicContact CG2-CD1 3.9Å; T122-I137 HydrophobicContact CG2-CG2 4.1Å; A126-I137 HydrophobicContact CB-CD1 4.18Å; M129-I137 HydrophobicContact CE-CG1 4.36Å; M129-I137 HydrophobicContact SD-CD1 4.07Å; M129-I137 HydrophobicContact SD-CG1 3.77Å; I137-L169 HydrophobicContact CD1-CD2 4.29Å; I137-L173 HydrophobicContact CD1-CD1 3.69Å; I137-V178 HydrophobicContact CD1-CG1 4.12Å; I137-Y179 PolarHBondContact N-O 3.02Å; I137-V180 HydrophobicContact CB-CG2 4.44Å; I137-V180 CarbonylContact O-C 3.34Å; I137-V180 WeakPolarHBondContact O-CA 3.23Å; I137-T181 PolarHBondContact O-N 3.19Å
138F98.9Very high96.3Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-113.8123.2172.7-69.7-98.5000109.5V86 L87 V88 N89 H136 T181 I183 I220 K223 M224 I231V86-F138 HydrophobicContact CG1-CD2 3.85Å; V86-F138 HydrophobicContact CG1-CE2 3.87Å; L87-F138 PolarHBondContact O-N 3.39Å; V88-F138 CarbonylContact C-O 3.56Å; V88-F138 WeakPolarHBondContact CA-O 3.45Å; V88-F138 HydrophobicContact CB-CB 4.43Å; V88-F138 HydrophobicContact CG1-CB 4.21Å; V88-F138 HydrophobicContact CG2-CB 4.22Å; V88-F138 HydrophobicContact CG2-CD2 4.33Å; N89-F138 PolarHBondContact N-O 3.05Å; H136-F138 HydrophobicContact CB-CE2 4.05Å; H136-F138 AromaticContact CD2-CD2 3.8Å; H136-F138 AromaticContact CD2-CE2 3.36Å; H136-F138 WeakPolarHBondContact CD2-CE2 3.16Å; H136-F138 AromaticContact CD2-CZ 3.73Å; H136-F138 AromaticContact CE1-CE1 3.99Å; H136-F138 AromaticContact CE1-CE2 3.59Å; H136-F138 AromaticContact CE1-CZ 3.21Å; H136-F138 WeakPolarHBondContact CE1-CZ 3.4Å; H136-F138 AromaticContact CG-CE2 3.37Å; H136-F138 AromaticContact CG-CZ 3.86Å; H136-F138 AromaticContact ND1-CE2 3.52Å; H136-F138 AromaticContact ND1-CZ 3.56Å; H136-F138 AromaticContact NE2-CE1 3.84Å; H136-F138 AromaticContact NE2-CE2 3.53Å; H136-F138 AromaticContact NE2-CZ 3.34Å; H136-F138 VanDerWaalsContact NE2-CZ 3.34Å; H136-F138 WeakPolarHBondContact NE2-CZ 3.49Å; F138-T181 CarbonylContact C-O 3.54Å; F138-T181 VanDerWaalsContact CA-O 3.28Å; F138-T181 WeakPolarHBondContact CA-O 3.49Å; F138-T181 HydrophobicContact CD1-CG2 3.74Å; F138-T181 HydrophobicContact CE1-CG2 3.78Å; F138-I183 HydrophobicContact CB-CD1 4.04Å; F138-I183 HydrophobicContact CD1-CD1 4.07Å; F138-I183 HydrophobicContact CD1-CG1 4.29Å; F138-I220 HydrophobicContact CD1-CG2 4.05Å; F138-I220 HydrophobicContact CE1-CG2 4.24Å; F138-I220 HydrophobicContact CG-CG2 4.48Å; F138-K223 HydrophobicContact CE1-CB 4.28Å; F138-K223 HydrophobicContact CZ-CB 4.43Å; F138-M224 HydrophobicContact CE2-CB 4.44Å; F138-M224 HydrophobicContact CE2-CG 3.74Å; F138-M224 HydrophobicContact CZ-CB 4.47Å; F138-M224 HydrophobicContact CZ-CG 3.89Å; F138-I231 HydrophobicContact CE1-CD1 4.27Å
139N98.9Very high95.8Very high0 Ų031.2 Ų31.20%017%0.174CC..EExtended strand (participates in β ladder)trans-110.3118.5176.1-65.9-25.6000110.1N89 A141 V162 S166 T181 T182 I183N89-N139 WeakPolarHBondContact CB-OD1 3.41Å; N89-N139 PolarHBondContact ND2-OD1 2.7Å; N139-A141 PolarHBondContact O-N 2.88Å; N139-A141 VanDerWaalsContact O-N 3.13Å; N139-V162 HydrophobicContact CB-CG1 3.91Å; N139-S166 PolarHBondContact ND2-OG 3.44Å; N139-T181 PolarHBondContact N-O 2.98Å; N139-T182 WeakPolarHBondContact O-CA 3.42Å; N139-I183 PolarHBondContact O-N 2.92Å
140V98.6Very high95.4Very high12 Ų1233.5 Ų33.57%0.07319%0.189CC..EExtended strand (participates in β ladder)trans-78.797175.1-176.50000109.5L17 N89 N90 K159 I183 P185L17-V140 HydrophobicContact CD2-CG1 4.32Å; L17-V140 HydrophobicContact CD2-CG2 4.38Å; N89-V140 WeakPolarHBondContact O-CB 3.49Å; N89-V140 PolarHBondContact O-N 3.44Å; N90-V140 HydrophobicContact CB-CB 4.49Å; N90-V140 HydrophobicContact CB-CG2 3.79Å; V140-K159 PolarHBondContact O-NZ 3.12Å; V140-I183 HydrophobicContact CG2-CB 4.45Å; V140-I183 HydrophobicContact CG2-CD1 3.81Å; V140-P185 HydrophobicContact CG1-CG 4.42Å
141A97.6Very high95Very high1 Ų133.7 Ų33.71%0.00819%0.185CC..  trans-87-132.5171.900000109.6N139 A145 V162 L163 I183 N184N139-A141 PolarHBondContact O-N 2.88Å; N139-A141 VanDerWaalsContact O-N 3.13Å; A141-A145 HydrophobicContact CB-CB 4.45Å; A141-V162 HydrophobicContact CB-CG1 4.07Å; A141-L163 HydrophobicContact CB-CD2 3.91Å; A141-L163 HydrophobicContact CB-CG 4.18Å; A141-I183 CarbonylContact C-O 3.49Å; A141-I183 WeakPolarHBondContact CA-O 3.3Å; A141-I183 PolarHBondContact N-O 3.13Å; A141-N184 VanDerWaalsContact CB-OD1 3.3Å; A141-N184 WeakPolarHBondContact CB-OD1 3.34Å
142S96.4Very high94.7Very high12 Ų1227.9 Ų27.98%0.08415%0.154CC..  trans-167.2158179.8-175.30000110.3A144 A145S142-A144 PolarHBondContact O-N 2.82Å; S142-A144 WeakPolarHBondContact OG-CB 3.33Å; S142-A144 PolarHBondContact OG-N 2.82Å; S142-A145 WeakPolarHBondContact O-CB 3.28Å; S142-A145 PolarHBondContact O-N 2.89Å
143M94Very high94.6Very high6 Ų627.2 Ų27.23%0.0315%0.153CC..G310 helixtrans-59.3-26.7161-72.9-54.9-44.100112.1A145 K146 M147 N184 P185 M237M143-A145 PolarHBondContact O-N 2.9Å; M143-K146 HydrophobicContact CE-CB 4.35Å; M143-K146 HydrophobicContact CE-CD 4.22Å; M143-K146 PolarHBondContact O-N 2.96Å; M143-M147 PolarHBondContact O-N 3.14Å; M143-N184 HydrophobicContact SD-CB 4.21Å; M143-P185 PolarHBondContact N-O 2.98Å; M143-M237 HydrophobicContact CB-CE 3.76Å; M143-M237 HydrophobicContact CB-SD 4.43Å; M143-M237 VanDerWaalsContact CE-C 3.46Å; M143-M237 HydrophobicContact CE-CB 3.9Å; M143-M237 WeakPolarHBondContact CE-O 3.36Å; M143-M237 HydrophobicContact CG-CB 3.94Å; M143-M237 HydrophobicContact CG-CE 4.16Å; M143-M237 HydrophobicContact CG-SD 4.21Å; M143-M237 HydrophobicContact SD-CB 4.18Å
144A92.4Very high94.5Very high14 Ų1420.6 Ų20.612%0.11613%0.125CC..G310 helixtrans-63.5-16.8171.200000113.4S142 K146 Y155 S156 F160S142-A144 PolarHBondContact O-N 2.82Å; S142-A144 WeakPolarHBondContact OG-CB 3.33Å; S142-A144 PolarHBondContact OG-N 2.82Å; A144-K146 VanDerWaalsContact C-N 3.28Å; A144-Y155 HydrophobicContact CB-CD1 4.01Å; A144-Y155 HydrophobicContact CB-CE1 3.87Å; A144-S156 WeakPolarHBondContact O-CB 3.16Å; A144-S156 PolarHBondContact O-OG 2.78Å; A144-F160 WeakPolarHBondContact O-CE2 3.3Å
145A93.6Very high94.5Very high1 Ų119.5 Ų19.51%0.00812%0.115CC..G310 helixtrans-79.7-9.7172.600000113.6A141 S142 M143 K159 F160 L163A141-A145 HydrophobicContact CB-CB 4.45Å; S142-A145 WeakPolarHBondContact O-CB 3.28Å; S142-A145 PolarHBondContact O-N 2.89Å; M143-A145 PolarHBondContact O-N 2.9Å; A145-K159 VanDerWaalsContact CB-C 3.43Å; A145-K159 HydrophobicContact CB-CB 3.75Å; A145-K159 VanDerWaalsContact CB-O 3.29Å; A145-K159 WeakPolarHBondContact CB-O 3.36Å; A145-F160 VanDerWaalsContact CA-CD2 3.48Å; A145-F160 HydrophobicContact CB-CD2 4.48Å; A145-F160 WeakPolarHBondContact O-CD1 3.34Å; A145-F160 WeakPolarHBondContact O-CD2 3.34Å; A145-F160 WeakPolarHBondContact O-CE1 3.41Å; A145-F160 WeakPolarHBondContact O-CE2 3.41Å; A145-F160 WeakPolarHBondContact O-CG 3.33Å; A145-F160 WeakPolarHBondContact O-CZ 3.43Å; A145-L163 HydrophobicContact CB-CD1 3.41Å; A145-L163 VanDerWaalsContact CB-CD1 3.41Å; A145-L163 HydrophobicContact CB-CG 3.65Å; A145-L163 WeakPolarHBondContact O-CD1 3.32Å
146K92.2Very high94.4Very high44 Ų4419.5 Ų19.519%0.19111%0.114CC..THydrogen-bonded Turntrans-116.3-28.6-178-61.8-173.6163.7-172.90112.3M143 A144 L163 E230 N232M143-K146 HydrophobicContact CE-CB 4.35Å; M143-K146 HydrophobicContact CE-CD 4.22Å; M143-K146 PolarHBondContact O-N 2.96Å; A144-K146 VanDerWaalsContact C-N 3.28Å; K146-L163 HydrophobicContact CG-CD1 3.88Å; K146-E230 IonicContact NZ-OE2 3.59Å; K146-E230 PolarHBondContact NZ-OE2 3.18Å; K146-N232 VanDerWaalsContact NZ-CG 3.32Å; K146-N232 PolarHBondContact NZ-ND2 3.47Å; K146-N232 PolarHBondContact NZ-OD1 2.99Å
147M88.4Confident94.4Very high36 Ų3621.6 Ų21.618%0.17713%0.131CC..SBendtrans-144.7103.9175.1-176-179.475.700107.8M143 Y244M143-M147 PolarHBondContact O-N 3.14Å; M147-Y244 HydrophobicContact CB-CD1 4.46Å; M147-Y244 HydrophobicContact CB-CG 4.41Å; M147-Y244 HydrophobicContact CG-CD1 4.17Å; M147-Y244 HydrophobicContact CG-CD2 3.8Å; M147-Y244 HydrophobicContact CG-CE2 4.27Å; M147-Y244 HydrophobicContact CG-CG 3.79Å; M147-Y244 HydrophobicContact SD-CD2 4.04Å; M147-Y244 HydrophobicContact SD-CG 4.17Å
148A88.2Confident94.4Very high44 Ų4421.6 Ų21.636%0.36413%0.131SC..  trans-76142.717800000110.2F160A148-F160 HydrophobicContact CB-CE2 4.32Å
149T86.7Confident94.3Very high34 Ų3422 Ų2221%0.20913%0.133CC..  trans-122.6161.8176.260.70000111S152 K262T149-S152 PolarHBondContact N-OG 2.85Å; T149-S152 PolarHBondContact O-N 3.48Å; T149-S152 PolarHBondContact O-OG 3.42Å; T149-S152 PolarHBondContact OG1-OG 3.08Å; T149-K262 PolarHBondContact OG1-NZ 2.91Å
150P89.4Confident94.3Very high50 Ų5026.7 Ų26.733%0.32515%0.154SC..THydrogen-bonded Turntrans-47.8154173.7-29.937.1000113S152 K262P150-S152 PolarHBondContact O-N 2.69Å; P150-K262 WeakPolarHBondContact O-CD 3.45Å
151K90.3Very high94.3Very high59 Ų5927.6 Ų27.626%0.25716%0.163SC..THydrogen-bonded Turntrans61-4.1-173.7-56.6-177.9-179.9176.70116.3F96 D97 K262F96-K151 CarbonylContact C-O 3.6Å; F96-K151 WeakPolarHBondContact CA-O 3.2Å; F96-K151 HydrophobicContact CB-CB 4.16Å; D97-K151 PolarHBondContact N-O 3.33Å; D97-K151 CarbonylContact O-C 3.44Å; D97-K151 VanDerWaalsContact O-CA 3.23Å; D97-K151 WeakPolarHBondContact O-CA 3.49Å; D97-K151 VanDerWaalsContact O-O 3.12Å; K151-K262 HydrophobicContact CB-CD 4.26Å; K151-K262 HydrophobicContact CD-CB 4.03Å; K151-K262 PolarHBondContact NZ-OXT 2.87Å
152S92.4Very high94.4Very high0 Ų027.6 Ų27.60%016%0.163CC..  trans-110.328176.357.90000113.8T149 P150 V154 Y155 S156 K262T149-S152 PolarHBondContact N-OG 2.85Å; T149-S152 PolarHBondContact O-N 3.48Å; T149-S152 PolarHBondContact O-OG 3.42Å; T149-S152 PolarHBondContact OG1-OG 3.08Å; P150-S152 PolarHBondContact O-N 2.69Å; S152-V154 PolarHBondContact O-N 3.11Å; S152-Y155 PolarHBondContact O-N 3.33Å; S152-S156 WeakPolarHBondContact O-CA 3.39Å; S152-S156 WeakPolarHBondContact O-CB 3.34Å; S152-S156 PolarHBondContact O-N 3.23Å; S152-S156 PolarHBondContact O-OG 3.49Å; S152-S156 PolarHBondContact OG-OG 3.16Å; S152-S156 VanDerWaalsContact OG-OG 3.12Å; S152-K262 PolarHBondContact OG-NZ 2.99Å; S152-K262 VanDerWaalsContact OG-NZ 3.14Å
153T95Very high94.4Very high65 Ų6528 Ų2840%0.39916%0.163SC..Hα-helixtrans-54.7-55.5-177.349.90000111.8F99 A157F99-T153 HydrophobicContact CB-CG2 4.14Å; T153-A157 WeakPolarHBondContact O-CB 3.28Å; T153-A157 PolarHBondContact O-N 3.41Å
154V97.5Very high94.7Very high9 Ų929.7 Ų29.76%0.05518%0.183CC..Hα-helixtrans-69-48.5179.2-179.80000111.3F99 F102 A107 M110 F111 S152 S156 A157 T158F99-V154 HydrophobicContact CD2-CG2 4.28Å; F102-V154 HydrophobicContact CD1-CG2 3.86Å; F102-V154 HydrophobicContact CD2-CG2 4.16Å; F102-V154 HydrophobicContact CE1-CB 4.14Å; F102-V154 HydrophobicContact CE1-CG1 4.24Å; F102-V154 HydrophobicContact CE1-CG2 3.82Å; F102-V154 HydrophobicContact CE2-CB 4.21Å; F102-V154 HydrophobicContact CE2-CG2 4.13Å; F102-V154 HydrophobicContact CG-CG2 4.05Å; F102-V154 HydrophobicContact CZ-CB 3.91Å; F102-V154 HydrophobicContact CZ-CG1 4.25Å; F102-V154 HydrophobicContact CZ-CG2 3.97Å; A107-V154 HydrophobicContact CB-CG1 3.77Å; A107-V154 HydrophobicContact CB-CG2 4.11Å; M110-V154 HydrophobicContact CE-CG1 4.37Å; M110-V154 HydrophobicContact SD-CG1 3.97Å; F111-V154 HydrophobicContact CE2-CG1 4.31Å; S152-V154 PolarHBondContact O-N 3.11Å; V154-S156 PolarHBondContact O-N 2.94Å; V154-A157 WeakPolarHBondContact O-CB 3.45Å; V154-A157 PolarHBondContact O-N 3.23Å; V154-A157 VanDerWaalsContact O-N 3.15Å; V154-T158 PolarHBondContact O-N 3.35Å
155Y97.2Very high95Very high19 Ų1931.1 Ų31.18%0.07519%0.187CC..Hα-helixtrans-58.1-47.7179.4178.2-100.7000112.1F96 M110 A144 S152 A157 T158 K159 F192F96-Y155 HydrophobicContact CE1-CD1 4.1Å; F96-Y155 HydrophobicContact CE1-CG 4.27Å; M110-Y155 HydrophobicContact SD-CD2 4.13Å; A144-Y155 HydrophobicContact CB-CD1 4.01Å; A144-Y155 HydrophobicContact CB-CE1 3.87Å; S152-Y155 PolarHBondContact O-N 3.33Å; Y155-A157 VanDerWaalsContact C-N 3.34Å; Y155-A157 PolarHBondContact O-N 3.41Å; Y155-T158 PolarHBondContact O-N 3.4Å; Y155-T158 PolarHBondContact O-OG1 3.08Å; Y155-K159 HydrophobicContact CD1-CG 4.33Å; Y155-K159 HydrophobicContact CD2-CG 4.49Å; Y155-K159 HydrophobicContact CE1-CG 3.89Å; Y155-K159 HydrophobicContact CE2-CD 4.45Å; Y155-K159 HydrophobicContact CE2-CG 4.07Å; Y155-K159 WeakPolarHBondContact O-CG 3.2Å; Y155-K159 PolarHBondContact O-N 2.76Å; Y155-K159 WeakPolarHBondContact OH-CE 3.38Å; Y155-F192 HydrophobicContact CD2-CZ 4.5Å; Y155-F192 HydrophobicContact CE2-CE2 4.44Å; Y155-F192 AromaticContact CE2-CZ 3.67Å; Y155-F192 HydrophobicContact CE2-CZ 3.67Å; Y155-F192 AromaticContact CZ-CZ 3.94Å
156S96.8Very high95.2Very high3 Ų331.1 Ų31.12%0.02119%0.186CC..Hα-helixtrans-60.8-44.5176.5-57.40000110.3A144 S152 V154 T158 K159 F160A144-S156 WeakPolarHBondContact O-CB 3.16Å; A144-S156 PolarHBondContact O-OG 2.78Å; S152-S156 WeakPolarHBondContact O-CA 3.39Å; S152-S156 WeakPolarHBondContact O-CB 3.34Å; S152-S156 PolarHBondContact O-N 3.23Å; S152-S156 PolarHBondContact O-OG 3.49Å; S152-S156 PolarHBondContact OG-OG 3.16Å; S152-S156 VanDerWaalsContact OG-OG 3.12Å; V154-S156 PolarHBondContact O-N 2.94Å; S156-T158 VanDerWaalsContact C-N 3.31Å; S156-T158 PolarHBondContact O-N 3.41Å; S156-K159 PolarHBondContact O-N 2.8Å; S156-F160 WeakPolarHBondContact O-CB 3.09Å; S156-F160 VanDerWaalsContact O-CD2 3.32Å; S156-F160 WeakPolarHBondContact O-CD2 3.31Å; S156-F160 PolarHBondContact O-N 3.05Å
157A98.3Very high95.5Very high45 Ų4531.5 Ų31.537%0.37219%0.191SC..Hα-helixtrans-54.3-46.4176.200000112.1F111 T153 V154 Y155 K159 F160 A161F111-A157 HydrophobicContact CE2-CB 4.48Å; F111-A157 HydrophobicContact CZ-CB 3.97Å; T153-A157 WeakPolarHBondContact O-CB 3.28Å; T153-A157 PolarHBondContact O-N 3.41Å; V154-A157 WeakPolarHBondContact O-CB 3.45Å; V154-A157 PolarHBondContact O-N 3.23Å; V154-A157 VanDerWaalsContact O-N 3.15Å; Y155-A157 VanDerWaalsContact C-N 3.34Å; Y155-A157 PolarHBondContact O-N 3.41Å; A157-K159 PolarHBondContact O-N 2.91Å; A157-F160 PolarHBondContact O-N 3.27Å; A157-A161 PolarHBondContact O-N 3.39Å
158T98.6Very high96Very high0 Ų032.1 Ų32.10%020%0.202CC..Hα-helixtrans-62.4-40.9176.269.30000112.5M110 F111 N114 V115 V154 Y155 S156 A161 V162M110-T158 HydrophobicContact CB-CG2 4.47Å; M110-T158 HydrophobicContact CG-CG2 4.02Å; M110-T158 HydrophobicContact SD-CG2 4.3Å; F111-T158 HydrophobicContact CD1-CG2 4.21Å; F111-T158 HydrophobicContact CD2-CG2 3.69Å; F111-T158 HydrophobicContact CE1-CG2 4.24Å; F111-T158 HydrophobicContact CE2-CG2 3.73Å; F111-T158 HydrophobicContact CG-CG2 3.95Å; F111-T158 HydrophobicContact CZ-CG2 4.02Å; N114-T158 HydrophobicContact CB-CG2 4.3Å; N114-T158 PolarHBondContact ND2-OG1 3.43Å; N114-T158 VanDerWaalsContact ND2-OG1 3.15Å; V115-T158 HydrophobicContact CG2-CG2 4.09Å; V154-T158 PolarHBondContact O-N 3.35Å; Y155-T158 PolarHBondContact O-N 3.4Å; Y155-T158 PolarHBondContact O-OG1 3.08Å; S156-T158 VanDerWaalsContact C-N 3.31Å; S156-T158 PolarHBondContact O-N 3.41Å; T158-A161 WeakPolarHBondContact O-CB 3.43Å; T158-A161 PolarHBondContact O-N 3Å; T158-V162 WeakPolarHBondContact O-CG2 3.45Å; T158-V162 PolarHBondContact O-N 3.39Å
159K98.3Very high96.5Very high8 Ų830.8 Ų30.84%0.03519%0.188CC..Hα-helixtrans-75.4-31.3-178.1-61.9-56.7-166.51780112.9V140 A145 Y155 S156 A157 V162 L163V140-K159 PolarHBondContact O-NZ 3.12Å; A145-K159 VanDerWaalsContact CB-C 3.43Å; A145-K159 HydrophobicContact CB-CB 3.75Å; A145-K159 VanDerWaalsContact CB-O 3.29Å; A145-K159 WeakPolarHBondContact CB-O 3.36Å; Y155-K159 HydrophobicContact CD1-CG 4.33Å; Y155-K159 HydrophobicContact CD2-CG 4.49Å; Y155-K159 HydrophobicContact CE1-CG 3.89Å; Y155-K159 HydrophobicContact CE2-CD 4.45Å; Y155-K159 HydrophobicContact CE2-CG 4.07Å; Y155-K159 WeakPolarHBondContact O-CG 3.2Å; Y155-K159 PolarHBondContact O-N 2.76Å; Y155-K159 WeakPolarHBondContact OH-CE 3.38Å; S156-K159 PolarHBondContact O-N 2.8Å; A157-K159 PolarHBondContact O-N 2.91Å; K159-V162 PolarHBondContact O-N 3.39Å; K159-L163 PolarHBondContact O-N 2.91Å; K159-L163 VanDerWaalsContact O-N 3.09Å
160F98.3Very high97.1Very high98 Ų9830.6 Ų30.643%0.4318%0.184SC..Hα-helixtrans-63-42.4167.1-92.6-95.6000111.1A144 A145 A148 S156 A157 V162 L163 G164A144-F160 WeakPolarHBondContact O-CE2 3.3Å; A145-F160 VanDerWaalsContact CA-CD2 3.48Å; A145-F160 HydrophobicContact CB-CD2 4.48Å; A145-F160 WeakPolarHBondContact O-CD1 3.34Å; A145-F160 WeakPolarHBondContact O-CD2 3.34Å; A145-F160 WeakPolarHBondContact O-CE1 3.41Å; A145-F160 WeakPolarHBondContact O-CE2 3.41Å; A145-F160 WeakPolarHBondContact O-CG 3.33Å; A145-F160 WeakPolarHBondContact O-CZ 3.43Å; A148-F160 HydrophobicContact CB-CE2 4.32Å; S156-F160 WeakPolarHBondContact O-CB 3.09Å; S156-F160 VanDerWaalsContact O-CD2 3.32Å; S156-F160 WeakPolarHBondContact O-CD2 3.31Å; S156-F160 PolarHBondContact O-N 3.05Å; A157-F160 PolarHBondContact O-N 3.27Å; F160-V162 VanDerWaalsContact C-N 3.33Å; F160-V162 PolarHBondContact O-N 3.26Å; F160-L163 PolarHBondContact O-N 2.86Å; F160-L163 VanDerWaalsContact O-N 3.14Å; F160-G164 PolarHBondContact O-N 3.2Å
161A98.7Very high97.5Very high32 Ų3233.9 Ų33.926%0.26420%0.198SC..Hα-helixtrans-59.3-43.3174.700000111.7V115 A157 T158 L163 G164 F165V115-A161 HydrophobicContact CG1-CB 3.95Å; V115-A161 HydrophobicContact CG2-CB 4.09Å; A157-A161 PolarHBondContact O-N 3.39Å; T158-A161 WeakPolarHBondContact O-CB 3.43Å; T158-A161 PolarHBondContact O-N 3Å; A161-L163 VanDerWaalsContact C-N 3.34Å; A161-L163 PolarHBondContact O-N 3.37Å; A161-G164 PolarHBondContact O-N 3.4Å; A161-F165 VanDerWaalsContact O-CB 3.31Å; A161-F165 WeakPolarHBondContact O-CB 3.47Å; A161-F165 PolarHBondContact O-N 3.48Å
162V98.8Very high97.9Very high1 Ų137.7 Ų37.71%0.00622%0.217CC..Hα-helixtrans-60.1-40.8174.2173.90000112N114 N139 A141 T158 K159 F160 S166N114-V162 WeakPolarHBondContact O-CG2 3.5Å; N139-V162 HydrophobicContact CB-CG1 3.91Å; A141-V162 HydrophobicContact CB-CG1 4.07Å; T158-V162 WeakPolarHBondContact O-CG2 3.45Å; T158-V162 PolarHBondContact O-N 3.39Å; K159-V162 PolarHBondContact O-N 3.39Å; F160-V162 VanDerWaalsContact C-N 3.33Å; F160-V162 PolarHBondContact O-N 3.26Å; V162-S166 VanDerWaalsContact O-CB 3.27Å; V162-S166 WeakPolarHBondContact O-CB 3.39Å; V162-S166 PolarHBondContact O-N 2.93Å; V162-S166 PolarHBondContact O-OG 2.86Å
163L98.2Very high98.2Very high19 Ų1938.5 Ų38.510%0.09922%0.221CC..Hα-helixtrans-65.5-45.3175.4-79.6-167.8000112.5A141 A145 K146 K159 F160 A161 S166 N167 T182 N184A141-L163 HydrophobicContact CB-CD2 3.91Å; A141-L163 HydrophobicContact CB-CG 4.18Å; A145-L163 HydrophobicContact CB-CD1 3.41Å; A145-L163 VanDerWaalsContact CB-CD1 3.41Å; A145-L163 HydrophobicContact CB-CG 3.65Å; A145-L163 WeakPolarHBondContact O-CD1 3.32Å; K146-L163 HydrophobicContact CG-CD1 3.88Å; K159-L163 PolarHBondContact O-N 2.91Å; K159-L163 VanDerWaalsContact O-N 3.09Å; F160-L163 PolarHBondContact O-N 2.86Å; F160-L163 VanDerWaalsContact O-N 3.14Å; A161-L163 VanDerWaalsContact C-N 3.34Å; A161-L163 PolarHBondContact O-N 3.37Å; L163-S166 PolarHBondContact O-N 3.35Å; L163-N167 WeakPolarHBondContact O-CB 3.14Å; L163-N167 PolarHBondContact O-N 3.35Å; L163-N167 PolarHBondContact O-ND2 3.13Å; L163-T182 HydrophobicContact CD2-CG2 3.77Å; L163-N184 WeakPolarHBondContact CD2-OD1 3.11Å
164G98.6Very high98.3Very high43 Ų4344.6 Ų44.644%0.44324%0.237SC..Hα-helixtrans-58.1-51.6176.400000111.6F160 A161 S166 N167 A168F160-G164 PolarHBondContact O-N 3.2Å; A161-G164 PolarHBondContact O-N 3.4Å; G164-S166 PolarHBondContact O-N 3.36Å; G164-N167 PolarHBondContact O-N 2.83Å; G164-A168 PolarHBondContact O-N 3.4Å; G164-A168 VanDerWaalsContact O-N 3.15Å
165F98.8Very high98.4Very high44 Ų4449.7 Ų49.719%0.19327%0.27CS..Hα-helixtrans-52.9-52.8174.1171.3-117.1000112M119 T122 A161 N167 A168 L169M119-F165 HydrophobicContact CB-CE2 4.43Å; M119-F165 HydrophobicContact CB-CZ 4.37Å; M119-F165 HydrophobicContact CE-CB 3.73Å; M119-F165 HydrophobicContact CE-CD2 3.91Å; M119-F165 HydrophobicContact CE-CG 3.86Å; M119-F165 HydrophobicContact CG-CD1 4.21Å; M119-F165 HydrophobicContact CG-CD2 3.92Å; M119-F165 HydrophobicContact CG-CE1 4.17Å; M119-F165 HydrophobicContact CG-CE2 3.88Å; M119-F165 HydrophobicContact CG-CG 4.08Å; M119-F165 HydrophobicContact CG-CZ 4Å; T122-F165 HydrophobicContact CG2-CE1 4.35Å; T122-F165 HydrophobicContact CG2-CZ 4.12Å; A161-F165 VanDerWaalsContact O-CB 3.31Å; A161-F165 WeakPolarHBondContact O-CB 3.47Å; A161-F165 PolarHBondContact O-N 3.48Å; F165-N167 VanDerWaalsContact C-N 3.26Å; F165-N167 PolarHBondContact O-N 3.49Å; F165-A168 PolarHBondContact O-N 3.38Å; F165-L169 HydrophobicContact CE1-CD2 4.01Å; F165-L169 HydrophobicContact CE2-CD1 4.47Å; F165-L169 HydrophobicContact CE2-CD2 4.39Å; F165-L169 HydrophobicContact CZ-CD1 4.49Å; F165-L169 HydrophobicContact CZ-CD2 3.76Å; F165-L169 VanDerWaalsContact O-CB 3.26Å; F165-L169 WeakPolarHBondContact O-CB 3.29Å; F165-L169 PolarHBondContact O-N 3.28Å
166S98.8Very high98.4Very high0 Ų049.6 Ų49.60%027%0.273CS..Hα-helixtrans-65-30.9-177.5-55.60000112.6N139 V162 L163 G164 R170 T182N139-S166 PolarHBondContact ND2-OG 3.44Å; V162-S166 VanDerWaalsContact O-CB 3.27Å; V162-S166 WeakPolarHBondContact O-CB 3.39Å; V162-S166 PolarHBondContact O-N 2.93Å; V162-S166 PolarHBondContact O-OG 2.86Å; L163-S166 PolarHBondContact O-N 3.35Å; G164-S166 PolarHBondContact O-N 3.36Å; S166-R170 VanDerWaalsContact O-CB 3.3Å; S166-R170 WeakPolarHBondContact O-CB 3.46Å; S166-R170 PolarHBondContact O-N 2.88Å; S166-T182 WeakPolarHBondContact OG-CG2 3.23Å
167N98.5Very high98.5Very high53 Ų5353.1 Ų53.128%0.28329%0.291SS..Hα-helixtrans-69.1-45.3177.6-77.3-25.9000112.4L163 G164 F165 R170 R229L163-N167 WeakPolarHBondContact O-CB 3.14Å; L163-N167 PolarHBondContact O-N 3.35Å; L163-N167 PolarHBondContact O-ND2 3.13Å; G164-N167 PolarHBondContact O-N 2.83Å; F165-N167 VanDerWaalsContact C-N 3.26Å; F165-N167 PolarHBondContact O-N 3.49Å; N167-R170 PolarHBondContact OD1-NH1 3.42Å; N167-R229 PolarHBondContact OD1-NH2 2.98Å; N167-R229 VanDerWaalsContact OD1-NH2 3.08Å
168A98.8Very high98.5Very high49 Ų4951 Ų5141%0.40527%0.274SS..Hα-helixtrans-65.3-50.817400000111G164 F165 R170 L171 E172G164-A168 PolarHBondContact O-N 3.4Å; G164-A168 VanDerWaalsContact O-N 3.15Å; F165-A168 PolarHBondContact O-N 3.38Å; A168-R170 VanDerWaalsContact C-N 3.27Å; A168-R170 PolarHBondContact O-N 3.01Å; A168-L171 WeakPolarHBondContact O-CB 3.17Å; A168-L171 PolarHBondContact O-N 3.14Å; A168-E172 PolarHBondContact O-N 3.43Å; A168-E172 VanDerWaalsContact O-N 3.12Å
169L98.7Very high98.5Very high16 Ų1654.2 Ų54.28%0.08429%0.286CS..Hα-helixtrans-56.3-40.1-178.1-171.170.5000112.4T122 I137 F165 L171 E172 L173 V180T122-L169 HydrophobicContact CG2-CD2 3.81Å; I137-L169 HydrophobicContact CD1-CD2 4.29Å; F165-L169 HydrophobicContact CE1-CD2 4.01Å; F165-L169 HydrophobicContact CE2-CD1 4.47Å; F165-L169 HydrophobicContact CE2-CD2 4.39Å; F165-L169 HydrophobicContact CZ-CD1 4.49Å; F165-L169 HydrophobicContact CZ-CD2 3.76Å; F165-L169 VanDerWaalsContact O-CB 3.26Å; F165-L169 WeakPolarHBondContact O-CB 3.29Å; F165-L169 PolarHBondContact O-N 3.28Å; L169-L171 PolarHBondContact O-N 3.09Å; L169-E172 PolarHBondContact O-N 3.06Å; L169-L173 HydrophobicContact CD1-CD1 3.75Å; L169-L173 HydrophobicContact CD1-CD2 4.43Å; L169-L173 HydrophobicContact CD1-CG 3.85Å; L169-L173 HydrophobicContact CD2-CD1 4.11Å; L169-L173 HydrophobicContact CG-CD1 3.67Å; L169-L173 HydrophobicContact CG-CG 3.98Å; L169-L173 WeakPolarHBondContact O-CB 3.44Å; L169-L173 WeakPolarHBondContact O-CG 3.29Å; L169-L173 PolarHBondContact O-N 3.4Å; L169-V180 HydrophobicContact CD2-CG1 4.35Å; L169-V180 HydrophobicContact CD2-CG2 4.1Å; L169-V180 HydrophobicContact CG-CG2 4.1Å
170R98.6Very high98.6Very high29 Ų2954 Ų5411%0.10929%0.286CS..Hα-helixtrans-58-37.1176.4-168.8-175.6-56.7105.8-6.4112.7S166 N167 A168 R174 V180 R229S166-R170 VanDerWaalsContact O-CB 3.3Å; S166-R170 WeakPolarHBondContact O-CB 3.46Å; S166-R170 PolarHBondContact O-N 2.88Å; N167-R170 PolarHBondContact OD1-NH1 3.42Å; A168-R170 VanDerWaalsContact C-N 3.27Å; A168-R170 PolarHBondContact O-N 3.01Å; R170-R174 WeakPolarHBondContact O-CB 3.43Å; R170-R174 PolarHBondContact O-N 2.89Å; R170-V180 HydrophobicContact CB-CB 3.88Å; R170-V180 HydrophobicContact CB-CG2 4.37Å; R170-V180 HydrophobicContact CG-CB 4.14Å; R170-V180 PolarHBondContact NE-O 2.91Å; R170-R229 PolarHBondContact NH2-O 2.95Å; R170-R229 VanDerWaalsContact NH2-O 3.16Å
171L98.5Very high98.6Very high119 Ų11949.3 Ų49.362%0.62327%0.265SS*.Hα-helixtrans-75.6-41.9-179.9-61.2177.2000110.8A168 L169 P175A168-L171 WeakPolarHBondContact O-CB 3.17Å; A168-L171 PolarHBondContact O-N 3.14Å; L169-L171 PolarHBondContact O-N 3.09Å; L171-P175 WeakPolarHBondContact O-CD 3.41Å
172E98.6Very high98.6Very high140 Ų14047.8 Ų47.865%0.65425%0.253SS*.Hα-helixtrans-63.7-40.5177.8-68.6176.1-170.600112.6A168 L169 P175A168-E172 PolarHBondContact O-N 3.43Å; A168-E172 VanDerWaalsContact O-N 3.12Å; L169-E172 PolarHBondContact O-N 3.06Å; E172-P175 WeakPolarHBondContact O-CD 3.41Å
173L98.7Very high98.6Very high16 Ų1647.8 Ų47.88%0.08425%0.252CS..Hα-helixtrans-89-13.7-174.4-65.4-167.8000114.2A126 V130 I137 L169 A176 N177 V178 V180A126-L173 HydrophobicContact CB-CD1 4.32Å; V130-L173 HydrophobicContact CG2-CD2 3.65Å; I137-L173 HydrophobicContact CD1-CD1 3.69Å; L169-L173 HydrophobicContact CD1-CD1 3.75Å; L169-L173 HydrophobicContact CD1-CD2 4.43Å; L169-L173 HydrophobicContact CD1-CG 3.85Å; L169-L173 HydrophobicContact CD2-CD1 4.11Å; L169-L173 HydrophobicContact CG-CD1 3.67Å; L169-L173 HydrophobicContact CG-CG 3.98Å; L169-L173 WeakPolarHBondContact O-CB 3.44Å; L169-L173 WeakPolarHBondContact O-CG 3.29Å; L169-L173 PolarHBondContact O-N 3.4Å; L173-A176 PolarHBondContact O-N 3.44Å; L173-A176 VanDerWaalsContact O-N 3.07Å; L173-N177 PolarHBondContact O-N 3.17Å; L173-V178 HydrophobicContact CB-CB 4.06Å; L173-V178 HydrophobicContact CB-CG1 4.38Å; L173-V178 HydrophobicContact CD1-CB 4.4Å; L173-V178 HydrophobicContact CD1-CG1 3.88Å; L173-V178 PolarHBondContact O-N 2.8Å; L173-V180 HydrophobicContact CD1-CG2 4.06Å
174R98.2Very high98.6Very high194 Ų19446.9 Ų46.973%0.73225%0.248SC*.G310 helixtrans-56.8-43.5179.8178.6178.9-178.5175.20.6113.8R170 A176 N177R170-R174 WeakPolarHBondContact O-CB 3.43Å; R170-R174 PolarHBondContact O-N 2.89Å; R174-A176 PolarHBondContact O-N 3.47Å; R174-N177 PolarHBondContact O-N 3.4Å
175P98.2Very high98.5Very high116 Ų11645.2 Ų45.275%0.75323%0.229SC*.G310 helixtrans-61.6-27.1176.9-23.835.6000113.6L171 E172 N177L171-P175 WeakPolarHBondContact O-CD 3.41Å; E172-P175 WeakPolarHBondContact O-CD 3.41Å; P175-N177 VanDerWaalsContact C-N 3.27Å; P175-N177 PolarHBondContact O-N 2.91Å
176A98.4Very high98.2Very high16 Ų1643.6 Ų43.613%0.13223%0.225CC..G310 helixtrans-86.28174.900000113V130 K133 L173 R174 V178V130-A176 HydrophobicContact CB-CB 4.28Å; V130-A176 HydrophobicContact CG1-CB 4.07Å; V130-A176 HydrophobicContact CG2-CB 4.01Å; K133-A176 CarbonylContact C-O 3.45Å; K133-A176 WeakPolarHBondContact CA-O 3.39Å; L173-A176 PolarHBondContact O-N 3.44Å; L173-A176 VanDerWaalsContact O-N 3.07Å; R174-A176 PolarHBondContact O-N 3.47Å; A176-V178 HydrophobicContact CB-CG2 4.34Å; A176-V178 PolarHBondContact O-N 2.57Å
177N98.2Very high97.8Very high77 Ų7743.8 Ų43.841%0.41223%0.226SC..THydrogen-bonded Turntrans55.632.6-178.2-175.756.7000113.5K133 L173 R174 P175 Y179K133-N177 WeakPolarHBondContact O-CB 3.41Å; K133-N177 PolarHBondContact O-ND2 3.32Å; K133-N177 VanDerWaalsContact O-ND2 3.15Å; L173-N177 PolarHBondContact O-N 3.17Å; R174-N177 PolarHBondContact O-N 3.4Å; P175-N177 VanDerWaalsContact C-N 3.27Å; P175-N177 PolarHBondContact O-N 2.91Å; N177-Y179 WeakPolarHBondContact OD1-CE1 3.45Å; N177-Y179 PolarHBondContact OD1-OH 2.98Å; N177-Y179 VanDerWaalsContact OD1-OH 3.05Å
178V98.7Very high97.5Very high1 Ų142.1 Ų42.11%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-101.9124.2171.5177.40000108.6M129 G135 I137 L173 A176M129-V178 HydrophobicContact CB-CG1 4.19Å; M129-V178 HydrophobicContact CB-CG2 3.71Å; M129-V178 WeakPolarHBondContact O-CG2 3.24Å; M129-V178 HydrophobicContact SD-CG1 3.95Å; G135-V178 WeakPolarHBondContact O-CA 3.07Å; I137-V178 HydrophobicContact CD1-CG1 4.12Å; L173-V178 HydrophobicContact CB-CB 4.06Å; L173-V178 HydrophobicContact CB-CG1 4.38Å; L173-V178 HydrophobicContact CD1-CB 4.4Å; L173-V178 HydrophobicContact CD1-CG1 3.88Å; L173-V178 PolarHBondContact O-N 2.8Å; A176-V178 HydrophobicContact CB-CG2 4.34Å; A176-V178 PolarHBondContact O-N 2.57Å
179Y98.7Very high97Very high68 Ų6842.5 Ų42.527%0.26722%0.22SC..EExtended strand (participates in β ladder)trans-89.8144.7-177.4-55.6-27.2000111.3G135 H136 I137 N177 P227G135-Y179 PolarHBondContact O-N 2.5Å; H136-Y179 CarbonylContact C-O 3.06Å; H136-Y179 WeakPolarHBondContact CA-O 3.3Å; H136-Y179 PolarHBondContact CD2-O 3.37Å; I137-Y179 PolarHBondContact N-O 3.02Å; N177-Y179 WeakPolarHBondContact OD1-CE1 3.45Å; N177-Y179 PolarHBondContact OD1-OH 2.98Å; N177-Y179 VanDerWaalsContact OD1-OH 3.05Å; Y179-P227 HydrophobicContact CD1-CB 4.33Å; Y179-P227 HydrophobicContact CD2-CB 4.5Å; Y179-P227 HydrophobicContact CE1-CB 4.26Å; Y179-P227 HydrophobicContact CE2-CB 4.39Å; Y179-P227 HydrophobicContact CG-CB 4.49Å
180V98.9Very high96.6Very high3 Ų343.1 Ų43.12%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-127.1112.8175-1760000109.2I137 L169 R170 L173I137-V180 HydrophobicContact CB-CG2 4.44Å; I137-V180 CarbonylContact O-C 3.34Å; I137-V180 WeakPolarHBondContact O-CA 3.23Å; L169-V180 HydrophobicContact CD2-CG1 4.35Å; L169-V180 HydrophobicContact CD2-CG2 4.1Å; L169-V180 HydrophobicContact CG-CG2 4.1Å; R170-V180 HydrophobicContact CB-CB 3.88Å; R170-V180 HydrophobicContact CB-CG2 4.37Å; R170-V180 HydrophobicContact CG-CB 4.14Å; R170-V180 PolarHBondContact NE-O 2.91Å; L173-V180 HydrophobicContact CD1-CG2 4.06Å
181T98.9Very high96.1Very high0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-109.8134.7177.4-64.30000110H136 I137 F138 N139 T228 I231H136-T181 PolarHBondContact CE1-OG1 3.31Å; H136-T181 PolarHBondContact NE2-OG1 3.42Å; I137-T181 PolarHBondContact O-N 3.19Å; F138-T181 CarbonylContact C-O 3.54Å; F138-T181 VanDerWaalsContact CA-O 3.28Å; F138-T181 WeakPolarHBondContact CA-O 3.49Å; F138-T181 HydrophobicContact CD1-CG2 3.74Å; F138-T181 HydrophobicContact CE1-CG2 3.78Å; N139-T181 PolarHBondContact N-O 2.98Å; T181-T228 HydrophobicContact CG2-CG2 4.23Å; T181-T228 PolarHBondContact OG1-O 2.82Å; T181-I231 HydrophobicContact CG2-CD1 4.08Å; T181-I231 HydrophobicContact CG2-CG1 3.93Å
182T98.8Very high95.7Very high0 Ų044.4 Ų44.40%023%0.228CC..EExtended strand (participates in β ladder)trans-98.8141.1165.956.70000110.9N139 L163 S166 N184 R229 E230 I231N139-T182 WeakPolarHBondContact O-CA 3.42Å; L163-T182 HydrophobicContact CD2-CG2 3.77Å; S166-T182 WeakPolarHBondContact OG-CG2 3.23Å; T182-N184 PolarHBondContact OG1-ND2 3.3Å; T182-R229 PolarHBondContact N-O 2.85Å; T182-R229 VanDerWaalsContact N-O 3.15Å; T182-E230 CarbonylContact O-C 3.49Å; T182-E230 VanDerWaalsContact O-CA 3.29Å; T182-E230 WeakPolarHBondContact O-CA 3.39Å; T182-E230 WeakPolarHBondContact OG1-CG 3.4Å; T182-I231 PolarHBondContact O-N 3.2Å
183I98.6Very high95.1Very high0 Ų038.6 Ų38.60%020%0.2CC..EExtended strand (participates in β ladder)trans-107.7119.1173.8-54153.8000106.3F138 N139 V140 A141 P185 L216 I220 I231F138-I183 HydrophobicContact CB-CD1 4.04Å; F138-I183 HydrophobicContact CD1-CD1 4.07Å; F138-I183 HydrophobicContact CD1-CG1 4.29Å; N139-I183 PolarHBondContact O-N 2.92Å; V140-I183 HydrophobicContact CG2-CB 4.45Å; V140-I183 HydrophobicContact CG2-CD1 3.81Å; A141-I183 CarbonylContact C-O 3.49Å; A141-I183 WeakPolarHBondContact CA-O 3.3Å; A141-I183 PolarHBondContact N-O 3.13Å; I183-P185 VanDerWaalsContact C-CD 3.4Å; I183-P185 WeakPolarHBondContact O-CD 3.29Å; I183-L216 HydrophobicContact CG2-CD1 4.31Å; I183-I220 HydrophobicContact CD1-CB 4.45Å; I183-I220 HydrophobicContact CD1-CD1 3.6Å; I183-I220 HydrophobicContact CD1-CG1 3.65Å; I183-I220 HydrophobicContact CD1-CG2 3.93Å; I183-I220 HydrophobicContact CG1-CD1 4.33Å; I183-I220 HydrophobicContact CG1-CG1 4.06Å; I183-I220 HydrophobicContact CG2-CD1 4.14Å; I183-I220 HydrophobicContact CG2-CG1 4.28Å; I183-I231 WeakPolarHBondContact CA-O 3.44Å; I183-I231 HydrophobicContact CG1-CB 4.43Å; I183-I231 HydrophobicContact CG1-CD1 4.33Å; I183-I231 HydrophobicContact CG2-CB 4.42Å
184N97.9Very high94.5Very high0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-116.579.3-177-50.2-65.8000108.8A141 M143 L163 T182 I231 N232 R233A141-N184 VanDerWaalsContact CB-OD1 3.3Å; A141-N184 WeakPolarHBondContact CB-OD1 3.34Å; M143-N184 HydrophobicContact SD-CB 4.21Å; L163-N184 WeakPolarHBondContact CD2-OD1 3.11Å; T182-N184 PolarHBondContact OG1-ND2 3.3Å; N184-I231 PolarHBondContact N-O 3Å; N184-N232 VanDerWaalsContact CB-OD1 3.31Å; N184-N232 WeakPolarHBondContact CB-OD1 3.47Å; N184-N232 PolarHBondContact ND2-OD1 3.18Å; N184-R233 PolarHBondContact O-N 3.47Å; N184-R233 VanDerWaalsContact O-N 3.16Å
185P96.4Very high93.9Very high8 Ų841.4 Ų41.45%0.05222%0.223CC..EExtended strand (participates in β ladder)trans-80.4148.217734.2-34.5000110.8V140 M143 I183 I188 L211 L216 R233V140-P185 HydrophobicContact CG1-CG 4.42Å; M143-P185 PolarHBondContact N-O 2.98Å; I183-P185 VanDerWaalsContact C-CD 3.4Å; I183-P185 WeakPolarHBondContact O-CD 3.29Å; P185-I188 HydrophobicContact CB-CD1 3.79Å; P185-I188 HydrophobicContact CB-CG1 4Å; P185-I188 HydrophobicContact CG-CD1 3.95Å; P185-L211 HydrophobicContact CB-CD1 3.86Å; P185-L216 HydrophobicContact CB-CD2 3.83Å; P185-R233 CarbonylContact C-O 3.56Å; P185-R233 VanDerWaalsContact CA-O 3.3Å; P185-R233 WeakPolarHBondContact CA-O 3.49Å
186G92.9Very high93.4Very high10 Ų1035.9 Ų35.910%0.10319%0.187CC..  trans-71.6-158.8154.600000110.4I188 R233G186-I188 PolarHBondContact O-N 3.41Å; G186-R233 PolarHBondContact N-O 3.27Å
187P91.3Very high92.9Very high4 Ų435.5 Ų35.53%0.02618%0.183CC..  trans-60.6139.1176.527.9-35.6000111.2F193 Y202 L203 L206 I209 V210 L211P187-F193 HydrophobicContact CB-CE2 4.04Å; P187-F193 HydrophobicContact CB-CZ 3.89Å; P187-Y202 HydrophobicContact CB-CE1 4.22Å; P187-L203 HydrophobicContact CB-CD2 4.5Å; P187-L206 HydrophobicContact CB-CD1 3.35Å; P187-L206 HydrophobicContact CG-CB 4.49Å; P187-L206 HydrophobicContact CG-CD1 3.42Å; P187-L206 VanDerWaalsContact CG-CD1 3.42Å; P187-L206 HydrophobicContact CG-CD2 4.13Å; P187-L206 HydrophobicContact CG-CG 4.22Å; P187-I209 HydrophobicContact CG-CG2 4.13Å; P187-V210 HydrophobicContact CB-CG2 4.47Å; P187-V210 HydrophobicContact CG-CG2 4.38Å; P187-L211 WeakPolarHBondContact O-CB 3.25Å; P187-L211 WeakPolarHBondContact O-CG 3.43Å; P187-L211 PolarHBondContact O-N 3.25Å
188I91.2Very high92.1Very high18 Ų1836.3 Ų36.39%0.09219%0.192CC..BIsolated β-bridgetrans-118.6139.7176.5-47.2172.8000107.5L17 P185 G186 T190 F193 L211 P213 L216L17-I188 HydrophobicContact CB-CD1 4.3Å; L17-I188 HydrophobicContact CD2-CD1 3.92Å; P185-I188 HydrophobicContact CB-CD1 3.79Å; P185-I188 HydrophobicContact CB-CG1 4Å; P185-I188 HydrophobicContact CG-CD1 3.95Å; G186-I188 PolarHBondContact O-N 3.41Å; I188-T190 VanDerWaalsContact C-N 3.28Å; I188-T190 HydrophobicContact CB-CG2 4.2Å; I188-T190 HydrophobicContact CG2-CG2 3.74Å; I188-T190 PolarHBondContact O-N 3.46Å; I188-F193 WeakPolarHBondContact O-CE2 3.37Å; I188-L211 WeakPolarHBondContact CA-O 3.21Å; I188-L211 HydrophobicContact CB-CB 4.5Å; I188-L211 HydrophobicContact CG1-CB 4.26Å; I188-L211 HydrophobicContact CG1-CD1 4.34Å; I188-L211 HydrophobicContact CG2-CB 4.41Å; I188-L211 WeakPolarHBondContact CG2-O 3.32Å; I188-P213 HydrophobicContact CG2-CB 3.78Å; I188-P213 HydrophobicContact CG2-CG 4.33Å; I188-L216 HydrophobicContact CD1-CD2 3.75Å; I188-L216 HydrophobicContact CG1-CD2 4.37Å
189A89.6Confident91.3Very high57 Ų5739.9 Ų39.947%0.47122%0.217SC..SBendtrans-69.783.117500000110.5V210 L211A189-V210 HydrophobicContact CB-CG1 3.7Å; A189-V210 VanDerWaalsContact N-CG1 3.34Å; A189-L211 PolarHBondContact N-O 2.59Å
190T89.7Confident90.4Very high30 Ų3038.8 Ų38.818%0.18423%0.227CC..SBendtrans-145.1167.5178.168.60000110.4I188 F192 P213I188-T190 VanDerWaalsContact C-N 3.28Å; I188-T190 HydrophobicContact CB-CG2 4.2Å; I188-T190 HydrophobicContact CG2-CG2 3.74Å; I188-T190 PolarHBondContact O-N 3.46Å; T190-F192 PolarHBondContact O-N 3.04Å; T190-F192 VanDerWaalsContact OG1-CB 3.27Å; T190-F192 WeakPolarHBondContact OG1-CB 3.47Å; T190-F192 PolarHBondContact OG1-N 2.91Å; T190-P213 HydrophobicContact CG2-CB 4.17Å; T190-P213 HydrophobicContact CG2-CG 4.31Å
191E87.5Confident89.4Confident119 Ų11940.3 Ų40.356%0.55624%0.237SC*.THydrogen-bonded Turntrans-61.21.9172-60.6171.8-147.100114.2F193 D194E191-F193 PolarHBondContact O-N 3.02Å; E191-D194 WeakPolarHBondContact CA-OD2 3.19Å; E191-D194 WeakPolarHBondContact CB-OD2 3.27Å; E191-D194 WeakPolarHBondContact O-CB 3.46Å; E191-D194 PolarHBondContact O-N 3.25Å
192F89.7Confident88.5Confident55 Ų5541.6 Ų41.624%0.24124%0.242CC..Hα-helixtrans-58.5-40.2179.6178.7-90.9000111.5Y155 T190 A196Y155-F192 HydrophobicContact CD2-CZ 4.5Å; Y155-F192 HydrophobicContact CE2-CE2 4.44Å; Y155-F192 AromaticContact CE2-CZ 3.67Å; Y155-F192 HydrophobicContact CE2-CZ 3.67Å; Y155-F192 AromaticContact CZ-CZ 3.94Å; T190-F192 PolarHBondContact O-N 3.04Å; T190-F192 VanDerWaalsContact OG1-CB 3.27Å; T190-F192 WeakPolarHBondContact OG1-CB 3.47Å; T190-F192 PolarHBondContact OG1-N 2.91Å; F192-A196 HydrophobicContact CD1-CB 3.83Å; F192-A196 HydrophobicContact CE1-CB 3.47Å; F192-A196 VanDerWaalsContact CE1-CB 3.47Å; F192-A196 HydrophobicContact CZ-CB 4.07Å; F192-A196 VanDerWaalsContact O-CB 3.25Å; F192-A196 WeakPolarHBondContact O-CB 3.41Å; F192-A196 PolarHBondContact O-N 3.13Å
193F87.2Confident87.3Confident18 Ų1844 Ų448%0.07926%0.255CS..Hα-helixtrans-79.2-20-176.3-64.9-73.9000113.7F96 P187 I188 E191 K195 A196 D197 Y202 L203F96-F193 HydrophobicContact CE2-CD1 4.01Å; F96-F193 AromaticContact CE2-CE1 3.76Å; F96-F193 HydrophobicContact CE2-CE1 3.76Å; F96-F193 AromaticContact CZ-CE1 3.97Å; F96-F193 HydrophobicContact CZ-CE1 3.97Å; P187-F193 HydrophobicContact CB-CE2 4.04Å; P187-F193 HydrophobicContact CB-CZ 3.89Å; I188-F193 WeakPolarHBondContact O-CE2 3.37Å; E191-F193 PolarHBondContact O-N 3.02Å; F193-K195 PolarHBondContact O-N 3.07Å; F193-K195 VanDerWaalsContact O-N 3.08Å; F193-A196 HydrophobicContact CD1-CB 4.35Å; F193-A196 PolarHBondContact O-N 3.34Å; F193-D197 PolarHBondContact O-N 3.14Å; F193-Y202 AromaticContact CD1-CD1 3.45Å; F193-Y202 HydrophobicContact CD1-CD1 3.45Å; F193-Y202 VanDerWaalsContact CD1-CD1 3.45Å; F193-Y202 AromaticContact CD1-CE1 3.88Å; F193-Y202 HydrophobicContact CD1-CE1 3.88Å; F193-Y202 AromaticContact CE1-CD1 3.35Å; F193-Y202 HydrophobicContact CE1-CD1 3.35Å; F193-Y202 AromaticContact CE1-CE1 3.23Å; F193-Y202 HydrophobicContact CE1-CE1 3.23Å; F193-Y202 HydrophobicContact CG-CD1 4.23Å; F193-Y202 HydrophobicContact CZ-CD1 4.02Å; F193-Y202 AromaticContact CZ-CE1 3.64Å; F193-Y202 HydrophobicContact CZ-CE1 3.64Å; F193-L203 HydrophobicContact CB-CD1 3.75Å; F193-L203 HydrophobicContact CB-CG 3.8Å; F193-L203 HydrophobicContact CD2-CD1 3.74Å; F193-L203 HydrophobicContact CD2-CD2 3.42Å; F193-L203 VanDerWaalsContact CD2-CD2 3.42Å; F193-L203 HydrophobicContact CD2-CG 3.55Å; F193-L203 HydrophobicContact CE2-CD2 3.71Å; F193-L203 HydrophobicContact CE2-CG 4.32Å; F193-L203 HydrophobicContact CG-CD1 4.07Å; F193-L203 HydrophobicContact CG-CD2 4.09Å; F193-L203 HydrophobicContact CG-CG 3.76Å
194D86.6Confident86Confident115 Ų11551.8 Ų51.862%0.61529%0.291SS*.Hα-helixtrans-57.2-27.4173.1-53.5-2.1000111.8E191E191-D194 WeakPolarHBondContact CA-OD2 3.19Å; E191-D194 WeakPolarHBondContact CB-OD2 3.27Å; E191-D194 WeakPolarHBondContact O-CB 3.46Å; E191-D194 PolarHBondContact O-N 3.25Å
195K85.2Confident85Confident154 Ų15455.4 Ų55.467%0.6731%0.311SS*.Hα-helixtrans-105-38.6173.8-61.9-174.8-179-175.50112.9F193 D197F193-K195 PolarHBondContact O-N 3.07Å; F193-K195 VanDerWaalsContact O-N 3.08Å; K195-D197 VanDerWaalsContact C-N 3.34Å
196A86.2Confident83.9Confident0 Ų055.6 Ų55.60%031%0.311CS..Hα-helixtrans-74.4-25-174.300000113.3G94 L95 F96 F192 F193G94-A196 VanDerWaalsContact O-CA 3.3Å; G94-A196 WeakPolarHBondContact O-CA 3.45Å; L95-A196 CarbonylContact C-O 3.56Å; F96-A196 VanDerWaalsContact CB-O 3.26Å; F96-A196 WeakPolarHBondContact CB-O 3.39Å; F96-A196 VanDerWaalsContact CG-O 3.3Å; F96-A196 WeakPolarHBondContact CG-O 3.37Å; F96-A196 PolarHBondContact N-O 2.97Å; F192-A196 HydrophobicContact CD1-CB 3.83Å; F192-A196 HydrophobicContact CE1-CB 3.47Å; F192-A196 VanDerWaalsContact CE1-CB 3.47Å; F192-A196 HydrophobicContact CZ-CB 4.07Å; F192-A196 VanDerWaalsContact O-CB 3.25Å; F192-A196 WeakPolarHBondContact O-CB 3.41Å; F192-A196 PolarHBondContact O-N 3.13Å; F193-A196 HydrophobicContact CD1-CB 4.35Å; F193-A196 PolarHBondContact O-N 3.34Å
197D88.5Confident83.1Confident8 Ų857.6 Ų57.64%0.04333%0.331CS..  trans-128.287.4176.2175.430.7000110.5F96 F193 K195 S199 G200 S201 Y202F96-D197 HydrophobicContact CD2-CB 4.16Å; F193-D197 PolarHBondContact O-N 3.14Å; K195-D197 VanDerWaalsContact C-N 3.34Å; D197-S199 VanDerWaalsContact CG-OG 3.3Å; D197-S199 PolarHBondContact O-N 3.28Å; D197-S199 WeakPolarHBondContact OD1-CB 3.45Å; D197-S199 PolarHBondContact OD1-N 3.5Å; D197-S199 PolarHBondContact OD1-OG 3.03Å; D197-S199 PolarHBondContact OD2-OG 2.7Å; D197-G200 PolarHBondContact O-N 2.9Å; D197-G200 PolarHBondContact OD2-N 3.31Å; D197-S201 PolarHBondContact OD2-N 3.3Å; D197-S201 VanDerWaalsContact OD2-N 3.08Å; D197-Y202 WeakPolarHBondContact OD2-CA 3.48Å; D197-Y202 WeakPolarHBondContact OD2-CB 3.41Å; D197-Y202 PolarHBondContact OD2-N 3.23Å
198P81.3Confident82.2Confident95 Ų9561.6 Ų61.662%0.61737%0.374SS*.THydrogen-bonded Turntrans-58.7-18.7179.1-24.534.4000114.3L95 G200L95-P198 HydrophobicContact CD1-CG 3.74Å; P198-G200 VanDerWaalsContact C-N 3.3Å
199S82.4Confident81.8Confident76 Ų7663.2 Ų63.253%0.53138%0.382SS..THydrogen-bonded Turntrans-74.6-20.7176.279.70000113.2D197 S201D197-S199 VanDerWaalsContact CG-OG 3.3Å; D197-S199 PolarHBondContact O-N 3.28Å; D197-S199 WeakPolarHBondContact OD1-CB 3.45Å; D197-S199 PolarHBondContact OD1-N 3.5Å; D197-S199 PolarHBondContact OD1-OG 3.03Å; D197-S199 PolarHBondContact OD2-OG 2.7Å; S199-S201 PolarHBondContact O-N 3.34Å; S199-S201 PolarHBondContact OG-N 3.35Å; S199-S201 PolarHBondContact OG-OG 2.96Å
200G79.7Confident81.7Confident45 Ų4562.5 Ų62.546%0.46437%0.372SS..SBendtrans71.2-4-175.700000115.3D197 P198D197-G200 PolarHBondContact O-N 2.9Å; D197-G200 PolarHBondContact OD2-N 3.31Å; P198-G200 VanDerWaalsContact C-N 3.3Å
201S78.1Confident81.8Confident34 Ų3462.3 Ų62.324%0.23837%0.369CS..Hα-helixtrans-81.8-21.5-169.967.20000114.2D197 S199 E204 N205D197-S201 PolarHBondContact OD2-N 3.3Å; D197-S201 VanDerWaalsContact OD2-N 3.08Å; S199-S201 PolarHBondContact O-N 3.34Å; S199-S201 PolarHBondContact OG-N 3.35Å; S199-S201 PolarHBondContact OG-OG 2.96Å; S201-E204 PolarHBondContact O-N 3.25Å; S201-N205 WeakPolarHBondContact O-CB 3.5Å; S201-N205 PolarHBondContact O-N 2.9Å; S201-N205 PolarHBondContact O-ND2 3.44Å; S201-N205 VanDerWaalsContact O-ND2 3.07Å
202Y78.6Confident82.1Confident28 Ų2859.3 Ų59.311%0.1136%0.357CS..Hα-helixtrans-66.5-49.8-168.7-178-112.9000112.9F96 P187 F193 D197 E204 N205 L206 K262F96-Y202 HydrophobicContact CE2-CD1 4Å; F96-Y202 HydrophobicContact CE2-CE1 4Å; F96-Y202 HydrophobicContact CE2-CG 4.36Å; P187-Y202 HydrophobicContact CB-CE1 4.22Å; F193-Y202 AromaticContact CD1-CD1 3.45Å; F193-Y202 HydrophobicContact CD1-CD1 3.45Å; F193-Y202 VanDerWaalsContact CD1-CD1 3.45Å; F193-Y202 AromaticContact CD1-CE1 3.88Å; F193-Y202 HydrophobicContact CD1-CE1 3.88Å; F193-Y202 AromaticContact CE1-CD1 3.35Å; F193-Y202 HydrophobicContact CE1-CD1 3.35Å; F193-Y202 AromaticContact CE1-CE1 3.23Å; F193-Y202 HydrophobicContact CE1-CE1 3.23Å; F193-Y202 HydrophobicContact CG-CD1 4.23Å; F193-Y202 HydrophobicContact CZ-CD1 4.02Å; F193-Y202 AromaticContact CZ-CE1 3.64Å; F193-Y202 HydrophobicContact CZ-CE1 3.64Å; D197-Y202 WeakPolarHBondContact OD2-CA 3.48Å; D197-Y202 WeakPolarHBondContact OD2-CB 3.41Å; D197-Y202 PolarHBondContact OD2-N 3.23Å; Y202-E204 VanDerWaalsContact C-N 3.32Å; Y202-E204 PolarHBondContact O-N 3.27Å; Y202-N205 PolarHBondContact O-N 3.12Å; Y202-L206 HydrophobicContact CD1-CD1 3.56Å; Y202-L206 HydrophobicContact CD2-CD1 4.19Å; Y202-L206 HydrophobicContact CD2-CG 4.47Å; Y202-L206 HydrophobicContact CE1-CD1 3.24Å; Y202-L206 HydrophobicContact CE1-CG 4.37Å; Y202-L206 HydrophobicContact CE2-CD1 3.92Å; Y202-L206 HydrophobicContact CE2-CD2 4.18Å; Y202-L206 HydrophobicContact CE2-CG 4.23Å; Y202-L206 HydrophobicContact CG-CD1 4.04Å; Y202-L206 VanDerWaalsContact CZ-CD1 3.45Å; Y202-L206 WeakPolarHBondContact O-CD1 3.43Å; Y202-L206 WeakPolarHBondContact O-CG 3.32Å; Y202-L206 PolarHBondContact O-N 3.46Å; Y202-K262 HydrophobicContact CD2-CB 4.47Å; Y202-K262 HydrophobicContact CD2-CD 4.41Å; Y202-K262 HydrophobicContact CD2-CG 3.38Å; Y202-K262 HydrophobicContact CE2-CD 4.27Å; Y202-K262 HydrophobicContact CE2-CG 3.55Å; Y202-K262 HydrophobicContact CG-CG 4.31Å
203L74.6Confident82.4Confident50 Ų5057.3 Ų57.326%0.26235%0.35SS..Hα-helixtrans-63.9-39.9-179.8-82.7-179.1000111.8P187 F193 N205 L206 V210P187-L203 HydrophobicContact CB-CD2 4.5Å; F193-L203 HydrophobicContact CB-CD1 3.75Å; F193-L203 HydrophobicContact CB-CG 3.8Å; F193-L203 HydrophobicContact CD2-CD1 3.74Å; F193-L203 HydrophobicContact CD2-CD2 3.42Å; F193-L203 VanDerWaalsContact CD2-CD2 3.42Å; F193-L203 HydrophobicContact CD2-CG 3.55Å; F193-L203 HydrophobicContact CE2-CD2 3.71Å; F193-L203 HydrophobicContact CE2-CG 4.32Å; F193-L203 HydrophobicContact CG-CD1 4.07Å; F193-L203 HydrophobicContact CG-CD2 4.09Å; F193-L203 HydrophobicContact CG-CG 3.76Å; L203-N205 VanDerWaalsContact C-N 3.3Å; L203-N205 PolarHBondContact O-N 3.01Å; L203-L206 HydrophobicContact CD2-CD1 4.44Å; L203-L206 PolarHBondContact O-N 3.35Å; L203-V210 HydrophobicContact CD2-CG1 4.3Å; L203-V210 HydrophobicContact CD2-CG2 4.17Å
204E72.3Confident82.9Confident164 Ų16461 Ų6177%0.76637%0.367SS*.Hα-helixtrans-61.2-40.9177-60.8-174.216300111.2S201 Y202 L206S201-E204 PolarHBondContact O-N 3.25Å; Y202-E204 VanDerWaalsContact C-N 3.32Å; Y202-E204 PolarHBondContact O-N 3.27Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 3.1Å
205N76.8Confident83.4Confident76 Ų7662.5 Ų62.541%0.40637%0.368SS..Hα-helixtrans-70.2-18.7179.7-70.9-25.7000113.8S201 Y202 L203 R261S201-N205 WeakPolarHBondContact O-CB 3.5Å; S201-N205 PolarHBondContact O-N 2.9Å; S201-N205 PolarHBondContact O-ND2 3.44Å; S201-N205 VanDerWaalsContact O-ND2 3.07Å; Y202-N205 PolarHBondContact O-N 3.12Å; L203-N205 VanDerWaalsContact C-N 3.3Å; L203-N205 PolarHBondContact O-N 3.01Å; N205-R261 HydrophobicContact CB-CB 4.09Å; N205-R261 PolarHBondContact ND2-O 3.23Å; N205-R261 VanDerWaalsContact ND2-O 3.12Å; N205-R261 VanDerWaalsContact O-CD 3.29Å; N205-R261 WeakPolarHBondContact O-CD 3.48Å; N205-R261 PolarHBondContact O-NH1 3.24Å
206L73.4Confident84Confident12 Ų1255.5 Ų55.56%0.06334%0.338CS..Hα-helixtrans-87.2-25.1-169.6-75.8164.9000114.9P187 Y202 L203 E204 G208 I209 V210P187-L206 HydrophobicContact CB-CD1 3.35Å; P187-L206 HydrophobicContact CG-CB 4.49Å; P187-L206 HydrophobicContact CG-CD1 3.42Å; P187-L206 VanDerWaalsContact CG-CD1 3.42Å; P187-L206 HydrophobicContact CG-CD2 4.13Å; P187-L206 HydrophobicContact CG-CG 4.22Å; Y202-L206 HydrophobicContact CD1-CD1 3.56Å; Y202-L206 HydrophobicContact CD2-CD1 4.19Å; Y202-L206 HydrophobicContact CD2-CG 4.47Å; Y202-L206 HydrophobicContact CE1-CD1 3.24Å; Y202-L206 HydrophobicContact CE1-CG 4.37Å; Y202-L206 HydrophobicContact CE2-CD1 3.92Å; Y202-L206 HydrophobicContact CE2-CD2 4.18Å; Y202-L206 HydrophobicContact CE2-CG 4.23Å; Y202-L206 HydrophobicContact CG-CD1 4.04Å; Y202-L206 VanDerWaalsContact CZ-CD1 3.45Å; Y202-L206 WeakPolarHBondContact O-CD1 3.43Å; Y202-L206 WeakPolarHBondContact O-CG 3.32Å; Y202-L206 PolarHBondContact O-N 3.46Å; L203-L206 HydrophobicContact CD2-CD1 4.44Å; L203-L206 PolarHBondContact O-N 3.35Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 3.1Å; L206-G208 PolarHBondContact O-N 3.26Å; L206-I209 PolarHBondContact O-N 2.77Å; L206-V210 HydrophobicContact CB-CG2 3.67Å; L206-V210 HydrophobicContact CD1-CG2 4.41Å
207G74.6Confident84.6Confident51 Ų5155.5 Ų55.553%0.52634%0.338SS..G310 helixtrans50.8-130.7179.100000113.5I209 V210G207-I209 PolarHBondContact O-N 3.14Å; G207-V210 WeakPolarHBondContact O-CG2 3.22Å; G207-V210 PolarHBondContact O-N 3.43Å
208G73.9Confident85.1Confident89 Ų8960.7 Ų60.792%0.91836%0.36SS*.G310 helixtrans-682-173.700000117.2L206L206-G208 PolarHBondContact O-N 3.26Å
209I82Confident85.9Confident52 Ų5257.7 Ų57.727%0.26734%0.34SS..G310 helixtrans-83.5-18.7175.5-63.2173.1000111.1P187 L206 G207 L211 P234 M237P187-I209 HydrophobicContact CG-CG2 4.13Å; L206-I209 PolarHBondContact O-N 2.77Å; G207-I209 PolarHBondContact O-N 3.14Å; I209-L211 PolarHBondContact O-N 2.86Å; I209-P234 HydrophobicContact CG2-CG 3.96Å; I209-M237 HydrophobicContact CG2-CG 4.44Å; I209-M237 HydrophobicContact CG2-SD 3.92Å
210V87.7Confident86.7Confident42 Ų4254 Ų5426%0.25532%0.315SS..PPolyproline II helixtrans-66.1127.9-179.1-1760000110.9P187 A189 L203 L206 G207P187-V210 HydrophobicContact CB-CG2 4.47Å; P187-V210 HydrophobicContact CG-CG2 4.38Å; A189-V210 HydrophobicContact CB-CG1 3.7Å; A189-V210 VanDerWaalsContact N-CG1 3.34Å; L203-V210 HydrophobicContact CD2-CG1 4.3Å; L203-V210 HydrophobicContact CD2-CG2 4.17Å; L206-V210 HydrophobicContact CB-CG2 3.67Å; L206-V210 HydrophobicContact CD1-CG2 4.41Å; G207-V210 WeakPolarHBondContact O-CG2 3.22Å; G207-V210 PolarHBondContact O-N 3.43Å
211L91.7Very high87.6Confident25 Ų2551.9 Ų51.913%0.13129%0.293CS..BIsolated β-bridgetrans-83.8143.1-179.5-62.2173.7000111.6P185 P187 I188 A189 I209 L216 R233 P234P185-L211 HydrophobicContact CB-CD1 3.86Å; P187-L211 WeakPolarHBondContact O-CB 3.25Å; P187-L211 WeakPolarHBondContact O-CG 3.43Å; P187-L211 PolarHBondContact O-N 3.25Å; I188-L211 WeakPolarHBondContact CA-O 3.21Å; I188-L211 HydrophobicContact CB-CB 4.5Å; I188-L211 HydrophobicContact CG1-CB 4.26Å; I188-L211 HydrophobicContact CG1-CD1 4.34Å; I188-L211 HydrophobicContact CG2-CB 4.41Å; I188-L211 WeakPolarHBondContact CG2-O 3.32Å; A189-L211 PolarHBondContact N-O 2.59Å; I209-L211 PolarHBondContact O-N 2.86Å; L211-L216 HydrophobicContact CD1-CD2 4.39Å; L211-R233 HydrophobicContact CD1-CB 3.61Å; L211-R233 HydrophobicContact CD2-CB 3.91Å; L211-R233 HydrophobicContact CG-CB 4.43Å; L211-P234 HydrophobicContact CD2-CB 4.05Å; L211-P234 HydrophobicContact CD2-CG 4.43Å
212D94Very high88.5Confident56 Ų5653.4 Ų53.430%0.29930%0.298SS..PPolyproline II helixtrans-79.4120.3168.1175.8-15.9000109.7H214 K215 L216D212-H214 VanDerWaalsContact C-N 3.27Å; D212-H214 PolarHBondContact O-N 3.29Å; D212-H214 WeakPolarHBondContact OD1-CA 3.05Å; D212-H214 VanDerWaalsContact OD1-CB 3.27Å; D212-H214 WeakPolarHBondContact OD1-CB 3.43Å; D212-H214 IonicContact OD1-CD2 2.8Å; D212-H214 PolarHBondContact OD1-CD2 3.1Å; D212-H214 VanDerWaalsContact OD1-CD2 3.22Å; D212-H214 IonicContact OD1-CG 2.57Å; D212-H214 PolarHBondContact OD1-N 3Å; D212-K215 HydrophobicContact CB-CB 4.18Å; D212-K215 HydrophobicContact CB-CD 4Å; D212-K215 HydrophobicContact CB-CG 4.11Å; D212-K215 PolarHBondContact O-N 3.32Å; D212-K215 PolarHBondContact OD1-N 3.49Å; D212-K215 WeakPolarHBondContact OD2-CE 3.42Å; D212-K215 WeakPolarHBondContact OD2-CG 3.29Å; D212-L216 PolarHBondContact O-N 3.44Å; D212-L216 VanDerWaalsContact O-N 3.09Å
213P96Very high89.5Confident13 Ų1356 Ų568%0.08431%0.31CS..Hα-helixtrans-62-32.4-179.625.8-33.8000112.8Q20 I188 T190 L216 A217Q20-P213 HydrophobicContact CG-CB 4.11Å; I188-P213 HydrophobicContact CG2-CB 3.78Å; I188-P213 HydrophobicContact CG2-CG 4.33Å; T190-P213 HydrophobicContact CG2-CB 4.17Å; T190-P213 HydrophobicContact CG2-CG 4.31Å; P213-L216 PolarHBondContact O-N 3.47Å; P213-A217 VanDerWaalsContact O-CB 3.23Å; P213-A217 WeakPolarHBondContact O-CB 3.03Å; P213-A217 PolarHBondContact O-N 2.79Å
214H97.5Very high90.6Very high97 Ų9753.7 Ų53.745%0.44930%0.298SS..Hα-helixtrans-65.9-45.2178.2-55.6-78.1000111.1Q20 D212 L216 A217 K218Q20-H214 VanDerWaalsContact CD-ND1 3.29Å; Q20-H214 PolarHBondContact OE1-CE1 3.26Å; Q20-H214 PolarHBondContact OE1-ND1 2.98Å; D212-H214 VanDerWaalsContact C-N 3.27Å; D212-H214 PolarHBondContact O-N 3.29Å; D212-H214 WeakPolarHBondContact OD1-CA 3.05Å; D212-H214 VanDerWaalsContact OD1-CB 3.27Å; D212-H214 WeakPolarHBondContact OD1-CB 3.43Å; D212-H214 IonicContact OD1-CD2 2.8Å; D212-H214 PolarHBondContact OD1-CD2 3.1Å; D212-H214 VanDerWaalsContact OD1-CD2 3.22Å; D212-H214 IonicContact OD1-CG 2.57Å; D212-H214 PolarHBondContact OD1-N 3Å; H214-L216 VanDerWaalsContact C-N 3.34Å; H214-L216 PolarHBondContact O-N 2.78Å; H214-A217 PolarHBondContact O-N 3.45Å; H214-K218 WeakPolarHBondContact O-CB 3.33Å; H214-K218 PolarHBondContact O-N 3.06Å
215K97.4Very high91.8Very high146 Ų14646.7 Ų46.764%0.63527%0.27SS*.Hα-helixtrans-65.5-39.3177.9-69.4178.9-169.7169.90111.7D212 T219D212-K215 HydrophobicContact CB-CB 4.18Å; D212-K215 HydrophobicContact CB-CD 4Å; D212-K215 HydrophobicContact CB-CG 4.11Å; D212-K215 PolarHBondContact O-N 3.32Å; D212-K215 PolarHBondContact OD1-N 3.49Å; D212-K215 WeakPolarHBondContact OD2-CE 3.42Å; D212-K215 WeakPolarHBondContact OD2-CG 3.29Å; K215-T219 PolarHBondContact O-N 3.19Å; K215-T219 PolarHBondContact O-OG1 3.06Å
216L98Very high92.8Very high6 Ų648 Ų483%0.03127%0.271CS..Hα-helixtrans-68.6-45.9177.3-176.858.6000111.2L17 I183 P185 I188 L211 D212 P213 H214 K218 T219 I220 I231 R233L17-L216 HydrophobicContact CD1-CB 3.98Å; L17-L216 HydrophobicContact CD1-CD2 3.84Å; L17-L216 HydrophobicContact CD1-CG 3.83Å; L17-L216 HydrophobicContact CD2-CD2 3.81Å; L17-L216 HydrophobicContact CD2-CG 4.44Å; L17-L216 HydrophobicContact CG-CD2 4.48Å; I183-L216 HydrophobicContact CG2-CD1 4.31Å; P185-L216 HydrophobicContact CB-CD2 3.83Å; I188-L216 HydrophobicContact CD1-CD2 3.75Å; I188-L216 HydrophobicContact CG1-CD2 4.37Å; L211-L216 HydrophobicContact CD1-CD2 4.39Å; D212-L216 PolarHBondContact O-N 3.44Å; D212-L216 VanDerWaalsContact O-N 3.09Å; P213-L216 PolarHBondContact O-N 3.47Å; H214-L216 VanDerWaalsContact C-N 3.34Å; H214-L216 PolarHBondContact O-N 2.78Å; L216-K218 PolarHBondContact O-N 3.32Å; L216-T219 CarbonylContact O-C 3.58Å; L216-T219 WeakPolarHBondContact O-CA 3.1Å; L216-T219 VanDerWaalsContact O-CB 3.31Å; L216-T219 WeakPolarHBondContact O-CB 3.5Å; L216-T219 PolarHBondContact O-N 3.46Å; L216-I220 HydrophobicContact CD1-CD1 4.42Å; L216-I220 HydrophobicContact CD1-CG1 4.47Å; L216-I220 HydrophobicContact CG-CD1 4Å; L216-I220 WeakPolarHBondContact O-CG1 3.39Å; L216-I220 PolarHBondContact O-N 2.75Å; L216-I231 HydrophobicContact CD1-CG2 4.37Å; L216-R233 HydrophobicContact CD1-CB 4.36Å; L216-R233 HydrophobicContact CD1-CG 3.99Å
217A98.7Very high93.9Very high0 Ų052.4 Ų52.40%030%0.301CS..Hα-helixtrans-55.7-48.6174.800000111.8L17 Q20 V21 E24 P213 H214 T219 I220 V221L17-A217 HydrophobicContact CD1-CB 4.29Å; Q20-A217 VanDerWaalsContact C-CB 3.43Å; Q20-A217 HydrophobicContact CB-CB 3.59Å; Q20-A217 WeakPolarHBondContact O-CB 3.45Å; V21-A217 HydrophobicContact CG2-CB 3.88Å; E24-A217 HydrophobicContact CB-CB 4.47Å; E24-A217 HydrophobicContact CG-CB 3.98Å; P213-A217 VanDerWaalsContact O-CB 3.23Å; P213-A217 WeakPolarHBondContact O-CB 3.03Å; P213-A217 PolarHBondContact O-N 2.79Å; H214-A217 PolarHBondContact O-N 3.45Å; A217-T219 PolarHBondContact O-N 3.43Å; A217-I220 WeakPolarHBondContact O-CB 3.45Å; A217-I220 PolarHBondContact O-N 3.15Å; A217-I220 VanDerWaalsContact O-N 3.08Å; A217-V221 WeakPolarHBondContact O-CG2 3.47Å; A217-V221 PolarHBondContact O-N 3.03Å
218K98.4Very high95Very high118 Ų11851.1 Ų51.151%0.51328%0.283SS..Hα-helixtrans-57.6-39174.9-174.4172.6-176.3174.10112.1E24 H214 L216 N222E24-K218 HydrophobicContact CG-CB 4.39Å; H214-K218 WeakPolarHBondContact O-CB 3.33Å; H214-K218 PolarHBondContact O-N 3.06Å; L216-K218 PolarHBondContact O-N 3.32Å; K218-N222 VanDerWaalsContact O-CB 3.24Å; K218-N222 WeakPolarHBondContact O-CB 3.49Å; K218-N222 PolarHBondContact O-N 3.02Å; K218-N222 PolarHBondContact O-ND2 3.07Å
219T98.4Very high96.1Very high31 Ų3153.1 Ų53.119%0.1926%0.263CS..Hα-helixtrans-65-44175.8-59.60000111.7K215 L216 A217 N222 K223 I231K215-T219 PolarHBondContact O-N 3.19Å; K215-T219 PolarHBondContact O-OG1 3.06Å; L216-T219 CarbonylContact O-C 3.58Å; L216-T219 WeakPolarHBondContact O-CA 3.1Å; L216-T219 VanDerWaalsContact O-CB 3.31Å; L216-T219 WeakPolarHBondContact O-CB 3.5Å; L216-T219 PolarHBondContact O-N 3.46Å; A217-T219 PolarHBondContact O-N 3.43Å; T219-N222 WeakPolarHBondContact O-CB 3.37Å; T219-N222 PolarHBondContact O-N 3.01Å; T219-K223 WeakPolarHBondContact O-CG 3.25Å; T219-K223 PolarHBondContact O-N 3.22Å; T219-I231 HydrophobicContact CG2-CG2 3.94Å
220I98.7Very high96.9Very high0 Ų053.1 Ų53.10%026%0.262CS..Hα-helixtrans-61.3-53.4177.6-66.4160.1000110L17 V21 F138 I183 L216 A217 N222 K223 M224 I231L17-I220 HydrophobicContact CD1-CD1 3.95Å; L17-I220 HydrophobicContact CD2-CD1 4.12Å; L17-I220 HydrophobicContact CG-CD1 4.32Å; V21-I220 HydrophobicContact CG2-CB 4.45Å; V21-I220 HydrophobicContact CG2-CD1 3.86Å; V21-I220 HydrophobicContact CG2-CG2 4.39Å; F138-I220 HydrophobicContact CD1-CG2 4.05Å; F138-I220 HydrophobicContact CE1-CG2 4.24Å; F138-I220 HydrophobicContact CG-CG2 4.48Å; I183-I220 HydrophobicContact CD1-CB 4.45Å; I183-I220 HydrophobicContact CD1-CD1 3.6Å; I183-I220 HydrophobicContact CD1-CG1 3.65Å; I183-I220 HydrophobicContact CD1-CG2 3.93Å; I183-I220 HydrophobicContact CG1-CD1 4.33Å; I183-I220 HydrophobicContact CG1-CG1 4.06Å; I183-I220 HydrophobicContact CG2-CD1 4.14Å; I183-I220 HydrophobicContact CG2-CG1 4.28Å; L216-I220 HydrophobicContact CD1-CD1 4.42Å; L216-I220 HydrophobicContact CD1-CG1 4.47Å; L216-I220 HydrophobicContact CG-CD1 4Å; L216-I220 WeakPolarHBondContact O-CG1 3.39Å; L216-I220 PolarHBondContact O-N 2.75Å; A217-I220 WeakPolarHBondContact O-CB 3.45Å; A217-I220 PolarHBondContact O-N 3.15Å; A217-I220 VanDerWaalsContact O-N 3.08Å; I220-N222 VanDerWaalsContact C-N 3.26Å; I220-N222 PolarHBondContact O-N 2.79Å; I220-K223 WeakPolarHBondContact O-CA 3.01Å; I220-K223 WeakPolarHBondContact O-CB 3.47Å; I220-K223 PolarHBondContact O-N 3.41Å; I220-M224 HydrophobicContact CG2-CE 4.49Å; I220-M224 PolarHBondContact O-N 3.16Å; I220-I231 HydrophobicContact CG1-CD1 4.27Å
221V98.7Very high97.4Very high0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-62.5-34-179.1-176.40000110.9L3 V21 E24 A25 R28 A217 K223 M224L3-V221 HydrophobicContact CD1-CG1 3.54Å; V21-V221 HydrophobicContact CG1-CG2 4.31Å; E24-V221 HydrophobicContact CB-CB 4.24Å; E24-V221 HydrophobicContact CB-CG2 3.66Å; A25-V221 HydrophobicContact CB-CG2 4.42Å; R28-V221 HydrophobicContact CG-CG1 4.41Å; R28-V221 VanDerWaalsContact CZ-CG1 3.47Å; R28-V221 VanDerWaalsContact NH1-C 3.26Å; R28-V221 PolarHBondContact NH1-O 3.24Å; A217-V221 WeakPolarHBondContact O-CG2 3.47Å; A217-V221 PolarHBondContact O-N 3.03Å; V221-K223 PolarHBondContact O-N 3.46Å; V221-M224 HydrophobicContact CB-CE 4.47Å; V221-M224 HydrophobicContact CB-SD 4.29Å; V221-M224 HydrophobicContact CG1-SD 3.98Å; V221-M224 HydrophobicContact CG2-CE 3.9Å; V221-M224 HydrophobicContact CG2-SD 4.29Å; V221-M224 PolarHBondContact O-N 3.42Å
222N98.3Very high97.7Very high66 Ų6650.5 Ų50.535%0.35325%0.246SC..Hα-helixtrans-60.2-21.7172.1-87.9-35.8000114.9R28 K218 T219 I220 K226R28-N222 PolarHBondContact NH2-OD1 3.27Å; K218-N222 VanDerWaalsContact O-CB 3.24Å; K218-N222 WeakPolarHBondContact O-CB 3.49Å; K218-N222 PolarHBondContact O-N 3.02Å; K218-N222 PolarHBondContact O-ND2 3.07Å; T219-N222 WeakPolarHBondContact O-CB 3.37Å; T219-N222 PolarHBondContact O-N 3.01Å; I220-N222 VanDerWaalsContact C-N 3.26Å; I220-N222 PolarHBondContact O-N 2.79Å; N222-K226 WeakPolarHBondContact O-CE 3.48Å; N222-K226 PolarHBondContact O-NZ 2.75Å
223K98.5Very high97.7Very high81 Ų8150.8 Ų50.835%0.35224%0.243SC..Hα-helixtrans-99.1-5.6-179.9-63.3-59.7-168.3168.60113.4H136 F138 T219 I220 V221 G225 K226 T228 I231H136-K223 PolarHBondContact CE1-O 3.08Å; H136-K223 VanDerWaalsContact CE1-O 3.31Å; F138-K223 HydrophobicContact CE1-CB 4.28Å; F138-K223 HydrophobicContact CZ-CB 4.43Å; T219-K223 WeakPolarHBondContact O-CG 3.25Å; T219-K223 PolarHBondContact O-N 3.22Å; I220-K223 WeakPolarHBondContact O-CA 3.01Å; I220-K223 WeakPolarHBondContact O-CB 3.47Å; I220-K223 PolarHBondContact O-N 3.41Å; V221-K223 PolarHBondContact O-N 3.46Å; K223-G225 PolarHBondContact O-N 2.67Å; K223-K226 WeakPolarHBondContact O-CB 3.37Å; K223-K226 PolarHBondContact O-N 3.14Å; K223-T228 HydrophobicContact CD-CG2 4.31Å; K223-T228 HydrophobicContact CG-CG2 4.39Å; K223-I231 HydrophobicContact CB-CD1 3.97Å; K223-I231 HydrophobicContact CG-CD1 3.76Å; K223-I231 HydrophobicContact CG-CG1 4.31Å
224M98.5Very high97.6Very high3 Ų351.2 Ų51.22%0.01525%0.246CC..THydrogen-bonded Turntrans-58.1133.7176-68.7177.5175.100111.5L3 V8 V21 V86 V88 F138 I220 V221 K226L3-M224 HydrophobicContact CD1-CB 4.37Å; L3-M224 HydrophobicContact CD1-SD 3.54Å; L3-M224 VanDerWaalsContact CD1-SD 3.54Å; L3-M224 HydrophobicContact CD2-CB 3.99Å; L3-M224 HydrophobicContact CD2-SD 4.18Å; V8-M224 HydrophobicContact CG1-CE 3.95Å; V8-M224 HydrophobicContact CG2-SD 4.49Å; V21-M224 HydrophobicContact CG1-CE 4.12Å; V86-M224 HydrophobicContact CG1-CE 3.9Å; V86-M224 HydrophobicContact CG1-CG 4.08Å; V86-M224 HydrophobicContact CG1-SD 4.07Å; V86-M224 HydrophobicContact CG2-CB 4.43Å; V86-M224 HydrophobicContact CG2-CG 4.45Å; V86-M224 HydrophobicContact CG2-SD 4.44Å; V88-M224 HydrophobicContact CG2-CE 3.88Å; F138-M224 HydrophobicContact CE2-CB 4.44Å; F138-M224 HydrophobicContact CE2-CG 3.74Å; F138-M224 HydrophobicContact CZ-CB 4.47Å; F138-M224 HydrophobicContact CZ-CG 3.89Å; I220-M224 HydrophobicContact CG2-CE 4.49Å; I220-M224 PolarHBondContact O-N 3.16Å; V221-M224 HydrophobicContact CB-CE 4.47Å; V221-M224 HydrophobicContact CB-SD 4.29Å; V221-M224 HydrophobicContact CG1-SD 3.98Å; V221-M224 HydrophobicContact CG2-CE 3.9Å; V221-M224 HydrophobicContact CG2-SD 4.29Å; V221-M224 PolarHBondContact O-N 3.42Å; M224-K226 VanDerWaalsContact C-N 3.27Å; M224-K226 PolarHBondContact O-N 3.12Å
225G96.9Very high97.3Very high17 Ų1752.7 Ų52.718%0.17525%0.251CS..THydrogen-bonded Turntrans5527.3-169.200000117.1H136 K223H136-G225 PolarHBondContact ND1-N 3.44Å; K223-G225 PolarHBondContact O-N 2.67Å
226K97.5Very high96.9Very high102 Ų10251.6 Ų51.644%0.44325%0.251SS..SBendtrans-117.1135.8167.7-61.9176.4-176.7162.60109H136 N222 K223 M224 T228H136-K226 PolarHBondContact CE1-O 3.04Å; N222-K226 WeakPolarHBondContact O-CE 3.48Å; N222-K226 PolarHBondContact O-NZ 2.75Å; K223-K226 WeakPolarHBondContact O-CB 3.37Å; K223-K226 PolarHBondContact O-N 3.14Å; M224-K226 VanDerWaalsContact C-N 3.27Å; M224-K226 PolarHBondContact O-N 3.12Å; K226-T228 VanDerWaalsContact C-N 3.25Å; K226-T228 PolarHBondContact O-N 3.4Å; K226-T228 PolarHBondContact O-OG1 2.72Å
227P95.7Very high96.6Very high105 Ų10553.1 Ų53.168%0.68226%0.259SS*.  trans-6982.8-179.229.7-35.8000110.6Y179Y179-P227 HydrophobicContact CD1-CB 4.33Å; Y179-P227 HydrophobicContact CD2-CB 4.5Å; Y179-P227 HydrophobicContact CE1-CB 4.26Å; Y179-P227 HydrophobicContact CE2-CB 4.39Å; Y179-P227 HydrophobicContact CG-CB 4.49Å
228T98.1Very high96.2Very high24 Ų2455.5 Ų55.515%0.14727%0.27CS..  trans-104.5131.8-179.2-54.30000107.4T181 K223 K226 I231T181-T228 HydrophobicContact CG2-CG2 4.23Å; T181-T228 PolarHBondContact OG1-O 2.82Å; K223-T228 HydrophobicContact CD-CG2 4.31Å; K223-T228 HydrophobicContact CG-CG2 4.39Å; K226-T228 VanDerWaalsContact C-N 3.25Å; K226-T228 PolarHBondContact O-N 3.4Å; K226-T228 PolarHBondContact O-OG1 2.72Å; T228-I231 HydrophobicContact CG2-CG1 4.12Å
229R98Very high95.9Very high131 Ų13152 Ų5249%0.49427%0.267SS..  trans-76.9-51.3178-172.1-171.917184.51111N167 R170 T182N167-R229 PolarHBondContact OD1-NH2 2.98Å; N167-R229 VanDerWaalsContact OD1-NH2 3.08Å; R170-R229 PolarHBondContact NH2-O 2.95Å; R170-R229 VanDerWaalsContact NH2-O 3.16Å; T182-R229 PolarHBondContact N-O 2.85Å; T182-R229 VanDerWaalsContact N-O 3.15Å
230E98.2Very high95.4Very high53 Ų5352.5 Ų52.525%0.24827%0.274CS..EExtended strand (participates in β ladder)trans-146.6144.9-167.8-81.3164.1-141.200110.7K146 T182 N232K146-E230 IonicContact NZ-OE2 3.59Å; K146-E230 PolarHBondContact NZ-OE2 3.18Å; T182-E230 CarbonylContact O-C 3.49Å; T182-E230 VanDerWaalsContact O-CA 3.29Å; T182-E230 WeakPolarHBondContact O-CA 3.39Å; T182-E230 WeakPolarHBondContact OG1-CG 3.4Å; E230-N232 PolarHBondContact OE2-ND2 3.31Å
231I98.3Very high95.1Very high5 Ų553 Ų533%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-118.4102167.4-58.8175.7000107.2F138 T181 T182 I183 N184 L216 T219 I220 K223 T228F138-I231 HydrophobicContact CE1-CD1 4.27Å; T181-I231 HydrophobicContact CG2-CD1 4.08Å; T181-I231 HydrophobicContact CG2-CG1 3.93Å; T182-I231 PolarHBondContact O-N 3.2Å; I183-I231 WeakPolarHBondContact CA-O 3.44Å; I183-I231 HydrophobicContact CG1-CB 4.43Å; I183-I231 HydrophobicContact CG1-CD1 4.33Å; I183-I231 HydrophobicContact CG2-CB 4.42Å; N184-I231 PolarHBondContact N-O 3Å; L216-I231 HydrophobicContact CD1-CG2 4.37Å; T219-I231 HydrophobicContact CG2-CG2 3.94Å; I220-I231 HydrophobicContact CG1-CD1 4.27Å; K223-I231 HydrophobicContact CB-CD1 3.97Å; K223-I231 HydrophobicContact CG-CD1 3.76Å; K223-I231 HydrophobicContact CG-CG1 4.31Å; T228-I231 HydrophobicContact CG2-CG1 4.12Å
232N97.4Very high94.7Very high7 Ų757.9 Ų57.94%0.03730%0.302CS..EExtended strand (participates in β ladder)trans-102.8126.5-178.4-56.1-48.1000109.9K146 N184 E230 E238K146-N232 VanDerWaalsContact NZ-CG 3.32Å; K146-N232 PolarHBondContact NZ-ND2 3.47Å; K146-N232 PolarHBondContact NZ-OD1 2.99Å; N184-N232 VanDerWaalsContact CB-OD1 3.31Å; N184-N232 WeakPolarHBondContact CB-OD1 3.47Å; N184-N232 PolarHBondContact ND2-OD1 3.18Å; E230-N232 PolarHBondContact OE2-ND2 3.31Å; N232-E238 HydrophobicContact CB-CB 3.89Å; N232-E238 HydrophobicContact CB-CG 3.91Å; N232-E238 PolarHBondContact ND2-OE1 2.76Å
233R95.3Very high94.4Very high61 Ų6158.6 Ų58.623%0.2330%0.303CS..EExtended strand (participates in β ladder)trans-144145.3177.1-71.3-64.4-179-86.84.4110.1N184 P185 G186 L211 L216 F235N184-R233 PolarHBondContact O-N 3.47Å; N184-R233 VanDerWaalsContact O-N 3.16Å; P185-R233 CarbonylContact C-O 3.56Å; P185-R233 VanDerWaalsContact CA-O 3.3Å; P185-R233 WeakPolarHBondContact CA-O 3.49Å; G186-R233 PolarHBondContact N-O 3.27Å; L211-R233 HydrophobicContact CD1-CB 3.61Å; L211-R233 HydrophobicContact CD2-CB 3.91Å; L211-R233 HydrophobicContact CG-CB 4.43Å; L216-R233 HydrophobicContact CD1-CB 4.36Å; L216-R233 HydrophobicContact CD1-CG 3.99Å; R233-F235 VanDerWaalsContact CZ-CE2 3.49Å; R233-F235 VanDerWaalsContact NH1-CE1 3.28Å
234P92.5Very high93.9Very high22 Ų2257 Ų5714%0.14330%0.295CS..SBendcis-69.7155.9-1531.2-33.7000110.8I209 L211 I236 M237 E238I209-P234 HydrophobicContact CG2-CG 3.96Å; L211-P234 HydrophobicContact CD2-CB 4.05Å; L211-P234 HydrophobicContact CD2-CG 4.43Å; P234-I236 HydrophobicContact CB-CG2 4.1Å; P234-I236 HydrophobicContact CG-CG2 3.88Å; P234-I236 PolarHBondContact O-N 3.45Å; P234-I236 VanDerWaalsContact O-N 3.14Å; P234-M237 HydrophobicContact CG-CB 4.35Å; P234-M237 HydrophobicContact CG-CG 3.91Å; P234-M237 HydrophobicContact CG-SD 4.1Å; P234-M237 PolarHBondContact O-N 3.16Å; P234-E238 PolarHBondContact O-N 3.1Å
235F91.8Very high93.5Very high128 Ų12859.8 Ų59.856%0.56132%0.324SS*.Hα-helixtrans-58.8-28-177.3-70.8-74.2000113.8R233 M237 E238 G239R233-F235 VanDerWaalsContact CZ-CE2 3.49Å; R233-F235 VanDerWaalsContact NH1-CE1 3.28Å; F235-M237 VanDerWaalsContact C-N 3.3Å; F235-M237 PolarHBondContact O-N 3.12Å; F235-E238 WeakPolarHBondContact CD1-OE2 3.34Å; F235-E238 WeakPolarHBondContact O-CB 3.47Å; F235-E238 PolarHBondContact O-N 3.07Å; F235-G239 PolarHBondContact O-N 3.08Å
236I90.2Very high93.3Very high123 Ų12364.7 Ų64.763%0.63135%0.346SS*.Hα-helixtrans-61.6-38.4175.2-169.4166.4000112.2P234 G239 A240P234-I236 HydrophobicContact CB-CG2 4.1Å; P234-I236 HydrophobicContact CG-CG2 3.88Å; P234-I236 PolarHBondContact O-N 3.45Å; P234-I236 VanDerWaalsContact O-N 3.14Å; I236-G239 PolarHBondContact O-N 3.45Å; I236-A240 PolarHBondContact O-N 2.85Å
237M89.9Confident93.1Very high39 Ų3964.5 Ų64.519%0.19235%0.345CS..Hα-helixtrans-74-31.2176.9-69.1-173.679.900111.8M143 I209 P234 F235 A240 S241M143-M237 HydrophobicContact CB-CE 3.76Å; M143-M237 HydrophobicContact CB-SD 4.43Å; M143-M237 VanDerWaalsContact CE-C 3.46Å; M143-M237 HydrophobicContact CE-CB 3.9Å; M143-M237 WeakPolarHBondContact CE-O 3.36Å; M143-M237 HydrophobicContact CG-CB 3.94Å; M143-M237 HydrophobicContact CG-CE 4.16Å; M143-M237 HydrophobicContact CG-SD 4.21Å; M143-M237 HydrophobicContact SD-CB 4.18Å; I209-M237 HydrophobicContact CG2-CG 4.44Å; I209-M237 HydrophobicContact CG2-SD 3.92Å; P234-M237 HydrophobicContact CG-CB 4.35Å; P234-M237 HydrophobicContact CG-CG 3.91Å; P234-M237 HydrophobicContact CG-SD 4.1Å; P234-M237 PolarHBondContact O-N 3.16Å; F235-M237 VanDerWaalsContact C-N 3.3Å; F235-M237 PolarHBondContact O-N 3.12Å; M237-A240 PolarHBondContact O-N 3.29Å; M237-S241 WeakPolarHBondContact O-CB 3.39Å; M237-S241 PolarHBondContact O-N 3.01Å; M237-S241 PolarHBondContact O-OG 3.27Å
238E91.8Very high92.8Very high50 Ų5062 Ų6223%0.23433%0.329CS..Hα-helixtrans-59.8-52171.1179.3173.7-155.100110.8N232 P234 F235 A240 S241 I242N232-E238 HydrophobicContact CB-CB 3.89Å; N232-E238 HydrophobicContact CB-CG 3.91Å; N232-E238 PolarHBondContact ND2-OE1 2.76Å; P234-E238 PolarHBondContact O-N 3.1Å; F235-E238 WeakPolarHBondContact CD1-OE2 3.34Å; F235-E238 WeakPolarHBondContact O-CB 3.47Å; F235-E238 PolarHBondContact O-N 3.07Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 3.08Å; E238-S241 PolarHBondContact O-N 3.32Å; E238-S241 VanDerWaalsContact O-N 3.12Å; E238-S241 PolarHBondContact O-OG 3.27Å; E238-I242 HydrophobicContact CG-CD1 4.2Å; E238-I242 WeakPolarHBondContact O-CG1 3.23Å; E238-I242 PolarHBondContact O-N 2.84Å
239G90.9Very high92.3Very high43 Ų4368.9 Ų68.944%0.44336%0.359SS..Hα-helixtrans-55.9-44.3175.200000112.6F235 I236 S241 I242 F243F235-G239 PolarHBondContact O-N 3.08Å; I236-G239 PolarHBondContact O-N 3.45Å; G239-S241 PolarHBondContact O-N 3.19Å; G239-I242 PolarHBondContact O-N 3.04Å; G239-F243 PolarHBondContact O-N 3.02Å
240A89Confident91.8Very high42 Ų4266.9 Ų66.935%0.34736%0.357SS..Hα-helixtrans-60.6-42.1175.900000112.4I236 M237 E238 F243 Y244I236-A240 PolarHBondContact O-N 2.85Å; M237-A240 PolarHBondContact O-N 3.29Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 3.08Å; A240-F243 PolarHBondContact O-N 3.07Å; A240-Y244 WeakPolarHBondContact O-CB 3.16Å; A240-Y244 PolarHBondContact O-N 3.35Å
241S91Very high91.1Very high10 Ų1064.6 Ų64.67%0.0735%0.348CS..Hα-helixtrans-68.2-35.3178.969.30000113.9M237 E238 G239 Y244 G245M237-S241 WeakPolarHBondContact O-CB 3.39Å; M237-S241 PolarHBondContact O-N 3.01Å; M237-S241 PolarHBondContact O-OG 3.27Å; E238-S241 PolarHBondContact O-N 3.32Å; E238-S241 VanDerWaalsContact O-N 3.12Å; E238-S241 PolarHBondContact O-OG 3.27Å; G239-S241 PolarHBondContact O-N 3.19Å; S241-Y244 PolarHBondContact O-N 2.96Å; S241-G245 PolarHBondContact O-N 3.49Å
242I91.7Very high90.5Very high103 Ų10368.3 Ų68.353%0.52837%0.368SS..Hα-helixtrans-65.4-46.4173.6-66.9167.3000109.1E238 G239 Y244 G245 L246E238-I242 HydrophobicContact CG-CD1 4.2Å; E238-I242 WeakPolarHBondContact O-CG1 3.23Å; E238-I242 PolarHBondContact O-N 2.84Å; G239-I242 PolarHBondContact O-N 3.04Å; I242-Y244 PolarHBondContact O-N 3.46Å; I242-G245 PolarHBondContact O-N 3.15Å; I242-L246 HydrophobicContact CG2-CD1 4.24Å; I242-L246 WeakPolarHBondContact O-CG 3.26Å; I242-L246 PolarHBondContact O-N 3.4Å; I242-L246 VanDerWaalsContact O-N 3.11Å
243F91Very high89.8Confident81 Ų8175.6 Ų75.636%0.35540%0.399SS..Hα-helixtrans-59.5-46.4176.4179.2-92.4000111.8G239 A240 G245 L246 F247 I250 L254G239-F243 PolarHBondContact O-N 3.02Å; A240-F243 PolarHBondContact O-N 3.07Å; F243-G245 VanDerWaalsContact C-N 3.32Å; F243-G245 PolarHBondContact O-N 3.25Å; F243-L246 PolarHBondContact O-N 2.96Å; F243-L246 VanDerWaalsContact O-N 3.13Å; F243-F247 AromaticContact CD2-CD2 3.6Å; F243-F247 HydrophobicContact CD2-CD2 3.6Å; F243-F247 HydrophobicContact CD2-CE2 4.04Å; F243-F247 HydrophobicContact CE1-CB 4.28Å; F243-F247 HydrophobicContact CE1-CD2 4.5Å; F243-F247 HydrophobicContact CE2-CB 4.49Å; F243-F247 AromaticContact CE2-CD2 3.39Å; F243-F247 HydrophobicContact CE2-CD2 3.39Å; F243-F247 AromaticContact CE2-CE2 3.87Å; F243-F247 HydrophobicContact CE2-CE2 3.87Å; F243-F247 HydrophobicContact CE2-CG 4.19Å; F243-F247 HydrophobicContact CG-CD2 4.25Å; F243-F247 HydrophobicContact CZ-CB 4.13Å; F243-F247 AromaticContact CZ-CD2 3.88Å; F243-F247 HydrophobicContact CZ-CD2 3.88Å; F243-F247 HydrophobicContact CZ-CG 4.26Å; F243-F247 PolarHBondContact O-N 3.18Å; F243-I250 HydrophobicContact CE1-CB 4.29Å; F243-I250 HydrophobicContact CE1-CG2 3.92Å; F243-I250 HydrophobicContact CZ-CB 4.36Å; F243-I250 HydrophobicContact CZ-CG2 3.91Å; F243-L254 HydrophobicContact CE1-CD1 4.3Å
244Y88.6Confident89Confident49 Ų4975.2 Ų75.219%0.19240%0.402CS..Hα-helixtrans-57-44.8176.7-176.5-88.7000111.6M147 A240 S241 I242 L246 F247 P248 D252M147-Y244 HydrophobicContact CB-CD1 4.46Å; M147-Y244 HydrophobicContact CB-CG 4.41Å; M147-Y244 HydrophobicContact CG-CD1 4.17Å; M147-Y244 HydrophobicContact CG-CD2 3.8Å; M147-Y244 HydrophobicContact CG-CE2 4.27Å; M147-Y244 HydrophobicContact CG-CG 3.79Å; M147-Y244 HydrophobicContact SD-CD2 4.04Å; M147-Y244 HydrophobicContact SD-CG 4.17Å; A240-Y244 WeakPolarHBondContact O-CB 3.16Å; A240-Y244 PolarHBondContact O-N 3.35Å; S241-Y244 PolarHBondContact O-N 2.96Å; I242-Y244 PolarHBondContact O-N 3.46Å; Y244-L246 VanDerWaalsContact C-N 3.3Å; Y244-L246 PolarHBondContact O-N 3.47Å; Y244-F247 CarbonylContact O-C 3.41Å; Y244-F247 PolarHBondContact O-N 2.88Å; Y244-P248 VanDerWaalsContact O-CA 3.28Å; Y244-P248 WeakPolarHBondContact O-CA 3.3Å; Y244-P248 VanDerWaalsContact O-N 3.11Å; Y244-D252 VanDerWaalsContact CE2-OD1 3.25Å; Y244-D252 WeakPolarHBondContact CE2-OD1 3.49Å; Y244-D252 VanDerWaalsContact CZ-OD1 3.29Å; Y244-D252 PolarHBondContact OH-OD1 3.18Å
245G89.6Confident88.2Confident61 Ų6174.5 Ų74.563%0.62940%0.398SS*.Hα-helixtrans-63.8-31.717700000114.2S241 I242 F243S241-G245 PolarHBondContact O-N 3.49Å; I242-G245 PolarHBondContact O-N 3.15Å; F243-G245 VanDerWaalsContact C-N 3.32Å; F243-G245 PolarHBondContact O-N 3.25Å
246L92.8Very high87.1Confident119 Ų11970.7 Ų70.762%0.62340%0.395SS*.Hα-helixtrans-81.1-33.4176.6-67.7173.9000112.8I242 F243 Y244I242-L246 HydrophobicContact CG2-CD1 4.24Å; I242-L246 WeakPolarHBondContact O-CG 3.26Å; I242-L246 PolarHBondContact O-N 3.4Å; I242-L246 VanDerWaalsContact O-N 3.11Å; F243-L246 PolarHBondContact O-N 2.96Å; F243-L246 VanDerWaalsContact O-N 3.13Å; Y244-L246 VanDerWaalsContact C-N 3.3Å; Y244-L246 PolarHBondContact O-N 3.47Å
247F93Very high85.9Confident98 Ų9867.2 Ų67.243%0.4339%0.389SS..  trans-13464.5-172.9-54.3-76000111.8F243 Y244 H249 I250 G251F243-F247 AromaticContact CD2-CD2 3.6Å; F243-F247 HydrophobicContact CD2-CD2 3.6Å; F243-F247 HydrophobicContact CD2-CE2 4.04Å; F243-F247 HydrophobicContact CE1-CB 4.28Å; F243-F247 HydrophobicContact CE1-CD2 4.5Å; F243-F247 HydrophobicContact CE2-CB 4.49Å; F243-F247 AromaticContact CE2-CD2 3.39Å; F243-F247 HydrophobicContact CE2-CD2 3.39Å; F243-F247 AromaticContact CE2-CE2 3.87Å; F243-F247 HydrophobicContact CE2-CE2 3.87Å; F243-F247 HydrophobicContact CE2-CG 4.19Å; F243-F247 HydrophobicContact CG-CD2 4.25Å; F243-F247 HydrophobicContact CZ-CB 4.13Å; F243-F247 AromaticContact CZ-CD2 3.88Å; F243-F247 HydrophobicContact CZ-CD2 3.88Å; F243-F247 HydrophobicContact CZ-CG 4.26Å; F243-F247 PolarHBondContact O-N 3.18Å; Y244-F247 CarbonylContact O-C 3.41Å; Y244-F247 PolarHBondContact O-N 2.88Å; F247-H249 VanDerWaalsContact C-N 3.34Å; F247-H249 PolarHBondContact O-N 2.74Å; F247-I250 HydrophobicContact CB-CB 4.16Å; F247-I250 HydrophobicContact CB-CD1 4.11Å; F247-I250 HydrophobicContact CB-CG1 4.31Å; F247-I250 HydrophobicContact CD1-CD1 4.41Å; F247-I250 HydrophobicContact CG-CD1 4.42Å; F247-I250 PolarHBondContact O-N 3.29Å; F247-I250 VanDerWaalsContact O-N 3.1Å; F247-G251 PolarHBondContact O-N 3.5Å
248P89.5Confident84.2Confident54 Ų5471.8 Ų71.835%0.35141%0.413SS..Hα-helixtrans-59.1-41-171.221-33000113Y244 I250 G251 D252Y244-P248 VanDerWaalsContact O-CA 3.28Å; Y244-P248 WeakPolarHBondContact O-CA 3.3Å; Y244-P248 VanDerWaalsContact O-N 3.11Å; P248-I250 VanDerWaalsContact C-N 3.34Å; P248-I250 PolarHBondContact O-N 2.61Å; P248-G251 CarbonylContact O-C 3.53Å; P248-G251 WeakPolarHBondContact O-CA 3.3Å; P248-G251 PolarHBondContact O-N 3.37Å; P248-G251 VanDerWaalsContact O-N 3.14Å; P248-D252 VanDerWaalsContact O-CG 3.28Å; P248-D252 PolarHBondContact O-N 2.92Å
249H88.8Confident82.7Confident167 Ų16775.6 Ų75.677%0.77343%0.429SS*.Hα-helixtrans-62.3-37.4178.3-61.191.3000113.4F247 F253F247-H249 VanDerWaalsContact C-N 3.34Å; F247-H249 PolarHBondContact O-N 2.74Å; H249-F253 PolarHBondContact O-N 2.67Å
250I86.8Confident81.7Confident89 Ų8976.4 Ų76.446%0.45642%0.424SS..Hα-helixtrans-74.1-40.7175-56.9177.8000109.4F243 F247 P248 D252 F253 L254F243-I250 HydrophobicContact CE1-CB 4.29Å; F243-I250 HydrophobicContact CE1-CG2 3.92Å; F243-I250 HydrophobicContact CZ-CB 4.36Å; F243-I250 HydrophobicContact CZ-CG2 3.91Å; F247-I250 HydrophobicContact CB-CB 4.16Å; F247-I250 HydrophobicContact CB-CD1 4.11Å; F247-I250 HydrophobicContact CB-CG1 4.31Å; F247-I250 HydrophobicContact CD1-CD1 4.41Å; F247-I250 HydrophobicContact CG-CD1 4.42Å; F247-I250 PolarHBondContact O-N 3.29Å; F247-I250 VanDerWaalsContact O-N 3.1Å; P248-I250 VanDerWaalsContact C-N 3.34Å; P248-I250 PolarHBondContact O-N 2.61Å; I250-D252 PolarHBondContact O-N 2.86Å; I250-F253 PolarHBondContact O-N 2.97Å; I250-L254 HydrophobicContact CG2-CD1 4.24Å; I250-L254 WeakPolarHBondContact O-CG 3.48Å; I250-L254 PolarHBondContact O-N 3.03Å; I250-L254 VanDerWaalsContact O-N 3.1Å
251G83.8Confident80.8Confident5 Ų578.9 Ų78.95%0.05242%0.424CS..Hα-helixtrans-56.6-46.5175.400000112.9F247 P248 F253 L254 A255F247-G251 PolarHBondContact O-N 3.5Å; P248-G251 CarbonylContact O-C 3.53Å; P248-G251 WeakPolarHBondContact O-CA 3.3Å; P248-G251 PolarHBondContact O-N 3.37Å; P248-G251 VanDerWaalsContact O-N 3.14Å; G251-F253 VanDerWaalsContact C-N 3.35Å; G251-F253 PolarHBondContact O-N 3.22Å; G251-L254 PolarHBondContact O-N 3.01Å; G251-A255 WeakPolarHBondContact O-CB 3.44Å; G251-A255 PolarHBondContact O-N 3.11Å
252D85.6Confident79.8Confident83 Ų8379.9 Ų79.944%0.44443%0.427SS..Hα-helixtrans-62-42178.4-71.8-17.8000111.6Y244 P248 I250 L254 G256Y244-D252 VanDerWaalsContact CE2-OD1 3.25Å; Y244-D252 WeakPolarHBondContact CE2-OD1 3.49Å; Y244-D252 VanDerWaalsContact CZ-OD1 3.29Å; Y244-D252 PolarHBondContact OH-OD1 3.18Å; P248-D252 VanDerWaalsContact O-CG 3.28Å; P248-D252 PolarHBondContact O-N 2.92Å; I250-D252 PolarHBondContact O-N 2.86Å; D252-L254 VanDerWaalsContact C-N 3.33Å; D252-L254 PolarHBondContact O-N 3.21Å; D252-G256 WeakPolarHBondContact O-CA 3.43Å; D252-G256 PolarHBondContact O-N 3.09Å
253F81.5Confident79.2Confident160 Ų16078.7 Ų78.770%0.70242%0.422SS*.Hα-helixtrans-60.2-42.4174.8178.9-97.9000112H249 I250 G251 G257H249-F253 PolarHBondContact O-N 2.67Å; I250-F253 PolarHBondContact O-N 2.97Å; G251-F253 VanDerWaalsContact C-N 3.35Å; G251-F253 PolarHBondContact O-N 3.22Å; F253-G257 PolarHBondContact O-N 3.37Å
254L79Confident78.6Confident54 Ų5478.6 Ų78.628%0.28343%0.425SS..Hα-helixtrans-74.1-43.4178.9-66.9175.3000112.8F243 I250 G251 D252 L258 F259F243-L254 HydrophobicContact CE1-CD1 4.3Å; I250-L254 HydrophobicContact CG2-CD1 4.24Å; I250-L254 WeakPolarHBondContact O-CG 3.48Å; I250-L254 PolarHBondContact O-N 3.03Å; I250-L254 VanDerWaalsContact O-N 3.1Å; G251-L254 PolarHBondContact O-N 3.01Å; D252-L254 VanDerWaalsContact C-N 3.33Å; D252-L254 PolarHBondContact O-N 3.21Å; L254-L258 HydrophobicContact CD2-CD1 4.16Å; L254-L258 PolarHBondContact O-N 3.45Å; L254-L258 VanDerWaalsContact O-N 3.16Å; L254-F259 HydrophobicContact CB-CD2 4.06Å; L254-F259 HydrophobicContact CB-CE2 4.13Å; L254-F259 WeakPolarHBondContact O-CD2 3.45Å; L254-F259 PolarHBondContact O-N 2.97Å; L254-F259 VanDerWaalsContact O-N 3.08Å
255A75.8Confident78.1Confident7 Ų780.2 Ų80.26%0.05844%0.438CS..Hα-helixtrans-77.2-36.3-174.900000112.9G251 N260G251-A255 WeakPolarHBondContact O-CB 3.44Å; G251-A255 PolarHBondContact O-N 3.11Å; A255-N260 PolarHBondContact O-N 3.43Å
256G68.3Low77.4Confident48 Ų4881.4 Ų81.450%0.49543%0.427SS..Hα-helixtrans-74.4-27.3175.800000113.4D252D252-G256 WeakPolarHBondContact O-CA 3.43Å; D252-G256 PolarHBondContact O-N 3.09Å
257G64.9Low76.4Confident49 Ų4979 Ų7951%0.50542%0.415SS..THydrogen-bonded Turntrans-101.5-95.3177.900000113.1F253 F259 N260F253-G257 PolarHBondContact O-N 3.37Å; G257-F259 VanDerWaalsContact C-N 3.29Å; G257-F259 PolarHBondContact O-N 2.88Å; G257-F259 VanDerWaalsContact O-N 3.16Å; G257-N260 PolarHBondContact O-N 3.5Å
258L54.3Low75.3Confident135 Ų13577.7 Ų77.771%0.70741%0.414SS*.THydrogen-bonded Turntrans-58.1-29-167.3-83.6143000115.6L254L254-L258 HydrophobicContact CD2-CD1 4.16Å; L254-L258 PolarHBondContact O-N 3.45Å; L254-L258 VanDerWaalsContact O-N 3.16Å
259F61.5Low74.3Confident130 Ų13079.4 Ų79.457%0.5742%0.418SS*.THydrogen-bonded Turntrans-107.12.8-176.4-62.6-64.2000114.8L254 G257 R261L254-F259 HydrophobicContact CB-CD2 4.06Å; L254-F259 HydrophobicContact CB-CE2 4.13Å; L254-F259 WeakPolarHBondContact O-CD2 3.45Å; L254-F259 PolarHBondContact O-N 2.97Å; L254-F259 VanDerWaalsContact O-N 3.08Å; G257-F259 VanDerWaalsContact C-N 3.29Å; G257-F259 PolarHBondContact O-N 2.88Å; G257-F259 VanDerWaalsContact O-N 3.16Å; F259-R261 PolarHBondContact O-N 3.2Å; F259-R261 VanDerWaalsContact O-N 3.1Å
260N68.8Low73.2Confident61 Ų6172.7 Ų72.733%0.32639%0.391SS..  trans-72.5106.9173.5-172.515000109.8A255 G257 K262A255-N260 PolarHBondContact O-N 3.43Å; G257-N260 PolarHBondContact O-N 3.5Å; N260-K262 PolarHBondContact OD1-N 3.29Å
261R69.9Low72.1Confident93 Ų9371.3 Ų71.335%0.35139%0.386SS..  trans-110.513-178.5-61.7-160.7-178.1-176.32.4113.7N205 F259N205-R261 HydrophobicContact CB-CB 4.09Å; N205-R261 PolarHBondContact ND2-O 3.23Å; N205-R261 VanDerWaalsContact ND2-O 3.12Å; N205-R261 VanDerWaalsContact O-CD 3.29Å; N205-R261 WeakPolarHBondContact O-CD 3.48Å; N205-R261 PolarHBondContact O-NH1 3.24Å; F259-R261 PolarHBondContact O-N 3.2Å; F259-R261 VanDerWaalsContact O-N 3.1Å
262K71.3Confident71Confident31 Ų3177.4 Ų77.414%0.13542%0.416CS..  trans-110.20-178.9-64.7174-176.6169.10112.1F96 T149 P150 K151 S152 Y202 N260F96-K262 HydrophobicContact CD2-CD 3.89Å; F96-K262 HydrophobicContact CD2-CG 4.35Å; F96-K262 HydrophobicContact CE2-CD 4.3Å; F96-K262 HydrophobicContact CG-CD 4.19Å; T149-K262 PolarHBondContact OG1-NZ 2.91Å; P150-K262 WeakPolarHBondContact O-CD 3.45Å; K151-K262 HydrophobicContact CB-CD 4.26Å; K151-K262 HydrophobicContact CD-CB 4.03Å; K151-K262 PolarHBondContact NZ-OXT 2.87Å; S152-K262 PolarHBondContact OG-NZ 2.99Å; S152-K262 VanDerWaalsContact OG-NZ 3.14Å; Y202-K262 HydrophobicContact CD2-CB 4.47Å; Y202-K262 HydrophobicContact CD2-CD 4.41Å; Y202-K262 HydrophobicContact CD2-CG 3.38Å; Y202-K262 HydrophobicContact CE2-CD 4.27Å; Y202-K262 HydrophobicContact CE2-CG 3.55Å; Y202-K262 HydrophobicContact CG-CG 4.31Å; N260-K262 PolarHBondContact OD1-N 3.29Å

Retrieved 262 of 262 residues in 82.2 ms (Link to these results)

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