A0A077ZJS3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJS3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 244 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
1M47.8Very low53.8Low141 Ų14193 Ų9370%0.69545%0.445SS*.  0115.80-162.9-172.6-86.400108.5E5 K6 E9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CG-CB 3.53Å; M1-E5 HydrophobicContact CG-CG 4.46Å; M1-E5 VanDerWaalsContact CG-OE2 3.3Å; M1-E5 WeakPolarHBondContact CG-OE2 3.25Å; M1-E5 HydrophobicContact SD-CB 4.49Å; M1-K6 HydrophobicContact CB-CG 4.42Å; M1-K6 HydrophobicContact CG-CG 3.96Å; M1-K6 HydrophobicContact SD-CG 3.53Å; M1-K6 VanDerWaalsContact SD-CG 3.53Å; M1-E9 WeakPolarHBondContact CE-OE2 3.38Å
2S60.1Low54.4Low53 Ų5391.6 Ų91.637%0.37145%0.452SS..  trans-67.4158-178.969.60000111.4R4 E5 K6S2-R4 PolarHBondContact O-N 3.23Å; S2-E5 WeakPolarHBondContact CB-OE1 3.43Å; S2-E5 PolarHBondContact N-OE2 2.84Å; S2-E5 WeakPolarHBondContact O-CB 3.33Å; S2-E5 PolarHBondContact O-N 2.82Å; S2-E5 WeakPolarHBondContact OG-CG 3.27Å; S2-E5 PolarHBondContact OG-N 2.89Å; S2-E5 PolarHBondContact OG-OE1 3.18Å; S2-K6 PolarHBondContact O-N 2.95Å
3L40.6Very low55.3Low76 Ų7688.1 Ų88.140%0.39844%0.436SS..Hα-helixtrans-58.1-34.5177.7-129.4165.6000111.4K6 L7 V43L3-K6 PolarHBondContact O-N 2.84Å; L3-L7 HydrophobicContact CD2-CD1 4.23Å; L3-L7 HydrophobicContact CD2-CG 4.38Å; L3-L7 WeakPolarHBondContact O-CB 3.25Å; L3-L7 WeakPolarHBondContact O-CG 3.31Å; L3-L7 PolarHBondContact O-N 3.49Å; L3-V43 HydrophobicContact CD1-CB 3.98Å; L3-V43 HydrophobicContact CD1-CG1 3.8Å; L3-V43 HydrophobicContact CD1-CG2 4.04Å
4R49.3Very low55.9Low212 Ų21289.5 Ų89.580%0.845%0.452SS*.Hα-helixtrans-63-47.7172.5-74.3-172.6177-166.2-1.4111.9S2 K6 L7 L8S2-R4 PolarHBondContact O-N 3.23Å; R4-K6 VanDerWaalsContact C-N 3.32Å; R4-K6 PolarHBondContact O-N 2.77Å; R4-L7 PolarHBondContact O-N 2.84Å; R4-L8 VanDerWaalsContact O-CB 3.32Å; R4-L8 WeakPolarHBondContact O-CB 3.34Å; R4-L8 PolarHBondContact O-N 3.36Å
5E59.1Low55.9Low104 Ų10492.9 Ų92.949%0.48647%0.466SS..Hα-helixtrans-60-41.9176.1-75149.8-136.500111.9M1 S2 L8 E9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CG-CB 3.53Å; M1-E5 HydrophobicContact CG-CG 4.46Å; M1-E5 VanDerWaalsContact CG-OE2 3.3Å; M1-E5 WeakPolarHBondContact CG-OE2 3.25Å; M1-E5 HydrophobicContact SD-CB 4.49Å; S2-E5 WeakPolarHBondContact CB-OE1 3.43Å; S2-E5 PolarHBondContact N-OE2 2.84Å; S2-E5 WeakPolarHBondContact O-CB 3.33Å; S2-E5 PolarHBondContact O-N 2.82Å; S2-E5 WeakPolarHBondContact OG-CG 3.27Å; S2-E5 PolarHBondContact OG-N 2.89Å; S2-E5 PolarHBondContact OG-OE1 3.18Å; E5-L8 PolarHBondContact O-N 3.29Å; E5-E9 WeakPolarHBondContact O-CB 3.48Å; E5-E9 PolarHBondContact O-N 3.29Å
6K55.7Low55.8Low59 Ų5988.6 Ų88.626%0.25744%0.444SS..Hα-helixtrans-65-39.9177.1-70.5-175.7179.9-1690112.9M1 S2 L3 R4 E9 L10M1-K6 HydrophobicContact CB-CG 4.42Å; M1-K6 HydrophobicContact CG-CG 3.96Å; M1-K6 HydrophobicContact SD-CG 3.53Å; M1-K6 VanDerWaalsContact SD-CG 3.53Å; S2-K6 PolarHBondContact O-N 2.95Å; L3-K6 PolarHBondContact O-N 2.84Å; R4-K6 VanDerWaalsContact C-N 3.32Å; R4-K6 PolarHBondContact O-N 2.77Å; K6-E9 PolarHBondContact O-N 3.13Å; K6-L10 PolarHBondContact O-N 3.19Å
7L48.2Very low55.7Low82 Ų8285.4 Ų85.443%0.42943%0.427SS..Hα-helixtrans-66.7-38.5174.3-78.7169000111.6L3 R4 E9 L10 Q11 V40L3-L7 HydrophobicContact CD2-CD1 4.23Å; L3-L7 HydrophobicContact CD2-CG 4.38Å; L3-L7 WeakPolarHBondContact O-CB 3.25Å; L3-L7 WeakPolarHBondContact O-CG 3.31Å; L3-L7 PolarHBondContact O-N 3.49Å; R4-L7 PolarHBondContact O-N 2.84Å; L7-E9 VanDerWaalsContact C-N 3.33Å; L7-L10 HydrophobicContact CD2-CD1 4.29Å; L7-L10 WeakPolarHBondContact O-CB 3.46Å; L7-L10 PolarHBondContact O-N 2.87Å; L7-Q11 WeakPolarHBondContact O-CG 3.28Å; L7-Q11 PolarHBondContact O-N 3.47Å; L7-V40 HydrophobicContact CD2-CG2 4.4Å
8L61.2Low55.7Low111 Ų11183.6 Ų83.658%0.58143%0.427SS*.Hα-helixtrans-70.4-33.1177.3-149.8142.7000111.3R4 E5 Q11 S12R4-L8 VanDerWaalsContact O-CB 3.32Å; R4-L8 WeakPolarHBondContact O-CB 3.34Å; R4-L8 PolarHBondContact O-N 3.36Å; E5-L8 PolarHBondContact O-N 3.29Å; L8-Q11 PolarHBondContact O-N 3.47Å; L8-S12 VanDerWaalsContact O-CB 3.29Å; L8-S12 WeakPolarHBondContact O-CB 3.36Å; L8-S12 PolarHBondContact O-N 2.72Å; L8-S12 PolarHBondContact O-OG 3.21Å
9E62.4Low55.4Low89 Ų8986.5 Ų86.542%0.41643%0.432SS..Hα-helixtrans-66.1-40.5169.7-167.5174.2-161.800111.4M1 E5 K6 L7 S12 N13M1-E9 WeakPolarHBondContact CE-OE2 3.38Å; E5-E9 WeakPolarHBondContact O-CB 3.48Å; E5-E9 PolarHBondContact O-N 3.29Å; K6-E9 PolarHBondContact O-N 3.13Å; L7-E9 VanDerWaalsContact C-N 3.33Å; E9-S12 WeakPolarHBondContact CA-OG 3.5Å; E9-S12 PolarHBondContact O-N 3.27Å; E9-S12 PolarHBondContact O-OG 3.26Å; E9-N13 VanDerWaalsContact O-CB 3.26Å; E9-N13 WeakPolarHBondContact O-CB 3.29Å; E9-N13 PolarHBondContact O-N 2.82Å
10L52.1Low55.1Low20 Ų2084 Ų8411%0.10542%0.42CS..Hα-helixtrans-56.5-50.2169.7-102.1151.3000111.9K6 L7 Y37 V40K6-L10 PolarHBondContact O-N 3.19Å; L7-L10 HydrophobicContact CD2-CD1 4.29Å; L7-L10 WeakPolarHBondContact O-CB 3.46Å; L7-L10 PolarHBondContact O-N 2.87Å; L10-Y37 HydrophobicContact CB-CE1 4.47Å; L10-Y37 HydrophobicContact CD1-CD1 3.55Å; L10-Y37 HydrophobicContact CD1-CD2 4.11Å; L10-Y37 HydrophobicContact CD1-CE1 3.76Å; L10-Y37 HydrophobicContact CD1-CE2 4.27Å; L10-Y37 HydrophobicContact CD1-CG 3.74Å; L10-Y37 HydrophobicContact CD2-CD2 3.98Å; L10-Y37 HydrophobicContact CD2-CE1 4.19Å; L10-Y37 HydrophobicContact CD2-CE2 3.54Å; L10-Y37 HydrophobicContact CD2-CG 4.45Å; L10-Y37 HydrophobicContact CG-CD1 3.81Å; L10-Y37 HydrophobicContact CG-CD2 4.13Å; L10-Y37 HydrophobicContact CG-CE1 3.45Å; L10-Y37 VanDerWaalsContact CG-CE1 3.45Å; L10-Y37 HydrophobicContact CG-CE2 3.78Å; L10-Y37 HydrophobicContact CG-CG 4.13Å; L10-Y37 VanDerWaalsContact CG-CZ 3.41Å; L10-V40 HydrophobicContact CD1-CG2 4.11Å
11Q55.2Low54.9Low76 Ų7684 Ų8436%0.35543%0.428SS..Hα-helixtrans-66-36.9179.5-71.9-178.6-63.500112.1L7 L8 K17 D70L7-Q11 WeakPolarHBondContact O-CG 3.28Å; L7-Q11 PolarHBondContact O-N 3.47Å; L8-Q11 PolarHBondContact O-N 3.47Å; Q11-K17 WeakPolarHBondContact O-CE 3.43Å; Q11-K17 PolarHBondContact O-NZ 2.9Å; Q11-D70 VanDerWaalsContact CG-O 3.23Å; Q11-D70 WeakPolarHBondContact CG-O 3.48Å; Q11-D70 PolarHBondContact NE2-O 2.94Å
12S61.7Low54.8Low76 Ų7683.7 Ų83.753%0.53143%0.425SS..Hα-helixtrans-86.5-9-177.658.40000114.5L8 E9 V14L8-S12 VanDerWaalsContact O-CB 3.29Å; L8-S12 WeakPolarHBondContact O-CB 3.36Å; L8-S12 PolarHBondContact O-N 2.72Å; L8-S12 PolarHBondContact O-OG 3.21Å; E9-S12 WeakPolarHBondContact CA-OG 3.5Å; E9-S12 PolarHBondContact O-N 3.27Å; E9-S12 PolarHBondContact O-OG 3.26Å; S12-V14 VanDerWaalsContact C-N 3.34Å; S12-V14 PolarHBondContact O-N 2.88Å
13N65.6Low54Low46 Ų4692.4 Ų92.425%0.24645%0.45CS..  trans-75.685.3-178.6-165-32000111.7E9 Q15 L16 K17E9-N13 VanDerWaalsContact O-CB 3.26Å; E9-N13 WeakPolarHBondContact O-CB 3.29Å; E9-N13 PolarHBondContact O-N 2.82Å; N13-Q15 PolarHBondContact O-N 3.36Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.42Å; N13-Q15 PolarHBondContact OD1-N 2.93Å; N13-L16 HydrophobicContact CB-CB 4.1Å; N13-L16 HydrophobicContact CB-CD1 3.94Å; N13-L16 HydrophobicContact CB-CG 4.19Å; N13-L16 WeakPolarHBondContact ND2-CD1 3.31Å; N13-L16 PolarHBondContact O-N 3.09Å; N13-L16 VanDerWaalsContact O-N 3.1Å; N13-L16 PolarHBondContact OD1-N 2.96Å; N13-K17 PolarHBondContact O-N 3.47Å
14V63.2Low53.9Low108 Ų10893.6 Ų93.666%0.65545%0.45SS*.Hα-helixtrans-56.9-32.6176.8-178.70000112S12 K17 A18S12-V14 VanDerWaalsContact C-N 3.34Å; S12-V14 PolarHBondContact O-N 2.88Å; V14-K17 PolarHBondContact O-N 3.05Å; V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 3.49Å; V14-A18 PolarHBondContact O-N 2.74Å
15Q56Low53.6Low141 Ų14190.5 Ų90.566%0.65944%0.444SS*.Hα-helixtrans-68.4-39.5178.1-62.9-179.1-2.300111.6N13 R19N13-Q15 PolarHBondContact O-N 3.36Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.42Å; N13-Q15 PolarHBondContact OD1-N 2.93Å; Q15-R19 VanDerWaalsContact O-CB 3.3Å; Q15-R19 WeakPolarHBondContact O-CB 3.3Å; Q15-R19 WeakPolarHBondContact O-CG 3.47Å; Q15-R19 PolarHBondContact O-N 3.05Å
16L54.5Low52.9Low24 Ų2491.2 Ų91.213%0.12645%0.448CS..Hα-helixtrans-66.8-44.6172.1-74.1175.5000111N13 A18 R19 L20 L36 Y37N13-L16 HydrophobicContact CB-CB 4.1Å; N13-L16 HydrophobicContact CB-CD1 3.94Å; N13-L16 HydrophobicContact CB-CG 4.19Å; N13-L16 WeakPolarHBondContact ND2-CD1 3.31Å; N13-L16 PolarHBondContact O-N 3.09Å; N13-L16 VanDerWaalsContact O-N 3.1Å; N13-L16 PolarHBondContact OD1-N 2.96Å; L16-A18 PolarHBondContact O-N 3.22Å; L16-R19 CarbonylContact O-C 3.56Å; L16-R19 PolarHBondContact O-N 2.79Å; L16-R19 VanDerWaalsContact O-N 3.13Å; L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 2.88Å; L16-L36 HydrophobicContact CD2-CD1 4.4Å; L16-Y37 HydrophobicContact CD1-CE2 4.03Å; L16-Y37 WeakPolarHBondContact CD1-OH 3.49Å
17K54.2Low52.2Low34 Ų3496 Ų9615%0.14847%0.469CS..Hα-helixtrans-57.5-46.2175.7-73.8179.8169.9171.30112.6Q11 N13 V14 R19 L20 S21 I66 E69 V72Q11-K17 WeakPolarHBondContact O-CE 3.43Å; Q11-K17 PolarHBondContact O-NZ 2.9Å; N13-K17 PolarHBondContact O-N 3.47Å; V14-K17 PolarHBondContact O-N 3.05Å; K17-R19 VanDerWaalsContact C-N 3.32Å; K17-R19 PolarHBondContact O-N 3.48Å; K17-L20 PolarHBondContact O-N 3.09Å; K17-S21 WeakPolarHBondContact O-CB 3.37Å; K17-S21 PolarHBondContact O-N 2.92Å; K17-S21 PolarHBondContact O-OG 3Å; K17-I66 HydrophobicContact CB-CD1 4.43Å; K17-I66 HydrophobicContact CG-CD1 4.42Å; K17-E69 WeakPolarHBondContact CE-O 3.08Å; K17-E69 PolarHBondContact NZ-O 3.09Å; K17-V72 HydrophobicContact CG-CG2 4.47Å
18A55.4Low52Low52 Ų5298.9 Ų98.943%0.4347%0.474SS..Hα-helixtrans-66.4-32.117700000112.9V14 L16 S21V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 3.49Å; V14-A18 PolarHBondContact O-N 2.74Å; L16-A18 PolarHBondContact O-N 3.22Å; A18-S21 PolarHBondContact O-OG 2.94Å; A18-S21 VanDerWaalsContact O-OG 3.09Å
19R49.7Very low51.3Low140 Ų14095 Ų9553%0.52845%0.453SS..Hα-helixtrans-75.9-35.9174.3-76.4174.9173.6-175.11.4112.4Q15 L16 K17 Y24Q15-R19 VanDerWaalsContact O-CB 3.3Å; Q15-R19 WeakPolarHBondContact O-CB 3.3Å; Q15-R19 WeakPolarHBondContact O-CG 3.47Å; Q15-R19 PolarHBondContact O-N 3.05Å; L16-R19 CarbonylContact O-C 3.56Å; L16-R19 PolarHBondContact O-N 2.79Å; L16-R19 VanDerWaalsContact O-N 3.13Å; K17-R19 VanDerWaalsContact C-N 3.32Å; K17-R19 PolarHBondContact O-N 3.48Å; R19-Y24 WeakPolarHBondContact O-CD2 3.44Å
20L49.8Very low50.6Low35 Ų3594 Ų9418%0.18345%0.449CS..Hα-helixtrans-71.1-41.2177.9-75.2169.1000111.9L16 K17 Q22 L29 V64 I66 V72L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 2.88Å; K17-L20 PolarHBondContact O-N 3.09Å; L20-Q22 PolarHBondContact O-N 3.25Å; L20-L29 HydrophobicContact CD2-CD1 3.63Å; L20-L29 HydrophobicContact CD2-CD2 3.51Å; L20-L29 HydrophobicContact CD2-CG 4.22Å; L20-V64 HydrophobicContact CD1-CG1 3.88Å; L20-V64 HydrophobicContact CD2-CB 4Å; L20-V64 HydrophobicContact CD2-CG1 3.69Å; L20-V64 HydrophobicContact CD2-CG2 4.37Å; L20-V64 HydrophobicContact CG-CG1 4.36Å; L20-I66 HydrophobicContact CB-CD1 3.95Å; L20-I66 HydrophobicContact CD1-CD1 4.5Å; L20-V72 HydrophobicContact CD1-CG1 4.29Å
21S52.1Low50.9Low85 Ų8599.5 Ų99.559%0.59447%0.472SS*.Hα-helixtrans-63.2-29.8177.467.70000112.7K17 A18 R23K17-S21 WeakPolarHBondContact O-CB 3.37Å; K17-S21 PolarHBondContact O-N 2.92Å; K17-S21 PolarHBondContact O-OG 3Å; A18-S21 PolarHBondContact O-OG 2.94Å; A18-S21 VanDerWaalsContact O-OG 3.09Å; S21-R23 PolarHBondContact O-N 3.19Å
22Q45.1Very low51Low135 Ų13598 Ų9863%0.63147%0.465SS*.THydrogen-bonded Turntrans-78.452.7174.9-74-172.6-11.400113L20 Y24L20-Q22 PolarHBondContact O-N 3.25Å; Q22-Y24 HydrophobicContact CB-CD2 4.13Å; Q22-Y24 HydrophobicContact CB-CE2 4.49Å; Q22-Y24 WeakPolarHBondContact O-CA 3.35Å; Q22-Y24 WeakPolarHBondContact O-CD2 3.39Å; Q22-Y24 PolarHBondContact O-N 2.89Å
23R43.8Very low51Low235 Ų23595.3 Ų95.389%0.88745%0.445SS*.THydrogen-bonded Turntrans29.847.4172.8-78-168.7176.3-179.2-0.5113.8S21 Q25S21-R23 PolarHBondContact O-N 3.19Å; R23-Q25 PolarHBondContact O-N 2.92Å
24Y38.4Very low50.6Low102 Ų10295 Ų9540%0.445%0.446SS..  trans-72.7127.6-171.6-115.9-95.1000107.6R19 Q22 Q26R19-Y24 WeakPolarHBondContact O-CD2 3.44Å; Q22-Y24 HydrophobicContact CB-CD2 4.13Å; Q22-Y24 HydrophobicContact CB-CE2 4.49Å; Q22-Y24 WeakPolarHBondContact O-CA 3.35Å; Q22-Y24 WeakPolarHBondContact O-CD2 3.39Å; Q22-Y24 PolarHBondContact O-N 2.89Å; Y24-Q26 PolarHBondContact O-N 2.73Å
25Q42.3Very low50.5Low146 Ų14696 Ų9668%0.68244%0.443SS*.  trans-46120.7-175-62.3-78.1-58.200110.2R23 F27 R28R23-Q25 PolarHBondContact O-N 2.92Å; Q25-F27 PolarHBondContact O-N 3.46Å; Q25-R28 PolarHBondContact O-N 3Å
26Q44.8Very low50.6Low119 Ų11993.7 Ų93.756%0.55644%0.435SS*.Hα-helixtrans-39.8-33.7-179.8-73.2165.2-33.700113.6Y24 R28 L29 Q30Y24-Q26 PolarHBondContact O-N 2.73Å; Q26-R28 VanDerWaalsContact C-N 3.35Å; Q26-R28 PolarHBondContact O-N 2.96Å; Q26-L29 PolarHBondContact O-N 3.3Å; Q26-Q30 WeakPolarHBondContact O-CG 3.49Å; Q26-Q30 PolarHBondContact O-N 2.84Å; Q26-Q30 VanDerWaalsContact O-N 3.15Å
27F41.4Very low51Low161 Ų16193.4 Ų93.471%0.70643%0.432SS*.Hα-helixtrans-55.2-35.7176.6-87.6-80.3000115.8Q25Q25-F27 PolarHBondContact O-N 3.46Å
28R43.2Very low51.2Low142 Ų14294.3 Ų94.354%0.53644%0.442SS..Hα-helixtrans-80.5-35.9-177.9-154179.7-178.1149.58.5111.7Q25 Q26 Q30 K31 E32Q25-R28 PolarHBondContact O-N 3Å; Q26-R28 VanDerWaalsContact C-N 3.35Å; Q26-R28 PolarHBondContact O-N 2.96Å; R28-Q30 VanDerWaalsContact C-N 3.33Å; R28-Q30 PolarHBondContact O-N 3.44Å; R28-K31 PolarHBondContact O-N 2.94Å; R28-E32 IonicContact NE-OE1 3.08Å; R28-E32 PolarHBondContact NE-OE1 3.43Å; R28-E32 VanDerWaalsContact NE-OE1 3.08Å; R28-E32 PolarHBondContact O-N 3.37Å
29L47.5Very low51.2Low28 Ų2892.5 Ų92.515%0.14743%0.428CS..Hα-helixtrans-66.1-34.4175.9-67.1170.9000112.3L20 Q26 K31 E32 V33 V64L20-L29 HydrophobicContact CD2-CD1 3.63Å; L20-L29 HydrophobicContact CD2-CD2 3.51Å; L20-L29 HydrophobicContact CD2-CG 4.22Å; Q26-L29 PolarHBondContact O-N 3.3Å; L29-K31 PolarHBondContact O-N 3.45Å; L29-E32 PolarHBondContact O-N 3.15Å; L29-V33 WeakPolarHBondContact O-CG2 3.47Å; L29-V33 PolarHBondContact O-N 3.45Å; L29-V64 HydrophobicContact CD1-CB 4.41Å; L29-V64 HydrophobicContact CD1-CG2 4.04Å
30Q47.5Very low51.5Low68 Ų6887.4 Ų87.432%0.31841%0.412SS..Hα-helixtrans-54.2-35.4173.4-78.8174.84.400113Q26 R28 P34 F62Q26-Q30 WeakPolarHBondContact O-CG 3.49Å; Q26-Q30 PolarHBondContact O-N 2.84Å; Q26-Q30 VanDerWaalsContact O-N 3.15Å; R28-Q30 VanDerWaalsContact C-N 3.33Å; R28-Q30 PolarHBondContact O-N 3.44Å; Q30-P34 WeakPolarHBondContact O-CD 3.45Å; Q30-F62 HydrophobicContact CG-CD2 3.95Å
31K57.9Low51.8Low137 Ų13789.3 Ų89.360%0.59642%0.417SS*.Hα-helixtrans-89.3-40.9179.4-167.5176177.9-177.90112.4R28 L29 E35R28-K31 PolarHBondContact O-N 2.94Å; L29-K31 PolarHBondContact O-N 3.45Å; K31-E35 WeakPolarHBondContact CE-OE1 3.49Å; K31-E35 WeakPolarHBondContact O-CG 3.25Å
32E57.8Low51.9Low45 Ų4589.4 Ų89.421%0.2141%0.411CS..Hα-helixtrans-75-34.6-173.2-74.7-179.7-168.600113.3R28 L29 E35 L36R28-E32 IonicContact NE-OE1 3.08Å; R28-E32 PolarHBondContact NE-OE1 3.43Å; R28-E32 VanDerWaalsContact NE-OE1 3.08Å; R28-E32 PolarHBondContact O-N 3.37Å; L29-E32 PolarHBondContact O-N 3.15Å; E32-E35 PolarHBondContact O-N 2.87Å; E32-L36 HydrophobicContact CB-CD1 3.96Å; E32-L36 WeakPolarHBondContact O-CB 3.46Å; E32-L36 VanDerWaalsContact O-CG 3.24Å; E32-L36 WeakPolarHBondContact O-CG 3.43Å; E32-L36 PolarHBondContact O-N 3.05Å
33V59.9Low52.2Low19 Ų1986.5 Ų86.512%0.11540%0.402CS..Hα-helixtrans-65.4-47.3-176.2173.20000112.8L29 E35 Y37 I74L29-V33 WeakPolarHBondContact O-CG2 3.47Å; L29-V33 PolarHBondContact O-N 3.45Å; V33-E35 VanDerWaalsContact C-N 3.34Å; V33-E35 PolarHBondContact O-N 2.8Å; V33-Y37 PolarHBondContact O-N 3.15Å; V33-I74 HydrophobicContact CG1-CD1 4.41Å
34P57.5Low52.8Low39 Ų3978 Ų7825%0.25338%0.378SS..Hα-helixtrans-64.3-36.7173.9-21.833.8000113.2Q30 W41Q30-P34 WeakPolarHBondContact O-CD 3.45Å; P34-W41 HydrophobicContact CB-CG 4.49Å
35E61.4Low53.6Low129 Ų12974 Ų7460%0.60337%0.365SS*.Hα-helixtrans-70.5-44.3-179.9-75.1-178.6-175.900112.4K31 E32 V33K31-E35 WeakPolarHBondContact CE-OE1 3.49Å; K31-E35 WeakPolarHBondContact O-CG 3.25Å; E32-E35 PolarHBondContact O-N 2.87Å; V33-E35 VanDerWaalsContact C-N 3.34Å; V33-E35 PolarHBondContact O-N 2.8Å
36L59.3Low54.2Low92 Ų9269.5 Ų69.548%0.48235%0.347SS..Hα-helixtrans-79.1-33.2-177.6-68.5170.1000112.3L16 E32 P38L16-L36 HydrophobicContact CD2-CD1 4.4Å; E32-L36 HydrophobicContact CB-CD1 3.96Å; E32-L36 WeakPolarHBondContact O-CB 3.46Å; E32-L36 VanDerWaalsContact O-CG 3.24Å; E32-L36 WeakPolarHBondContact O-CG 3.43Å; E32-L36 PolarHBondContact O-N 3.05Å; L36-P38 VanDerWaalsContact C-CD 3.42Å; L36-P38 WeakPolarHBondContact O-CD 3.16Å
37Y61.5Low54.5Low18 Ų1871 Ų717%0.07135%0.349CS..  trans-129.759.8-172.6-56.8-71.5000112.9L10 L16 V33 G39 V40 W41L10-Y37 HydrophobicContact CB-CE1 4.47Å; L10-Y37 HydrophobicContact CD1-CD1 3.55Å; L10-Y37 HydrophobicContact CD1-CD2 4.11Å; L10-Y37 HydrophobicContact CD1-CE1 3.76Å; L10-Y37 HydrophobicContact CD1-CE2 4.27Å; L10-Y37 HydrophobicContact CD1-CG 3.74Å; L10-Y37 HydrophobicContact CD2-CD2 3.98Å; L10-Y37 HydrophobicContact CD2-CE1 4.19Å; L10-Y37 HydrophobicContact CD2-CE2 3.54Å; L10-Y37 HydrophobicContact CD2-CG 4.45Å; L10-Y37 HydrophobicContact CG-CD1 3.81Å; L10-Y37 HydrophobicContact CG-CD2 4.13Å; L10-Y37 HydrophobicContact CG-CE1 3.45Å; L10-Y37 VanDerWaalsContact CG-CE1 3.45Å; L10-Y37 HydrophobicContact CG-CE2 3.78Å; L10-Y37 HydrophobicContact CG-CG 4.13Å; L10-Y37 VanDerWaalsContact CG-CZ 3.41Å; L16-Y37 HydrophobicContact CD1-CE2 4.03Å; L16-Y37 WeakPolarHBondContact CD1-OH 3.49Å; V33-Y37 PolarHBondContact O-N 3.15Å; Y37-G39 PolarHBondContact O-N 3.19Å; Y37-V40 PolarHBondContact O-N 3.47Å; Y37-W41 PolarHBondContact O-N 3.03Å
38P58.3Low55.4Low54 Ų5470.5 Ų70.535%0.35135%0.346SS..Hα-helixtrans-58-31.2-178.323.1-34000112.1L36 V40 W41 D42L36-P38 VanDerWaalsContact C-CD 3.42Å; L36-P38 WeakPolarHBondContact O-CD 3.16Å; P38-V40 PolarHBondContact O-N 2.8Å; P38-W41 PolarHBondContact O-N 2.87Å; P38-D42 WeakPolarHBondContact O-CB 3.49Å; P38-D42 VanDerWaalsContact O-CG 3.24Å; P38-D42 PolarHBondContact O-N 2.88Å
39G55.8Low56.1Low13 Ų1366.8 Ų66.813%0.13433%0.334CS..Hα-helixtrans-68.2-29.8177.800000114.6Y37 V43Y37-G39 PolarHBondContact O-N 3.19Å; G39-V43 WeakPolarHBondContact O-CB 3.42Å; G39-V43 WeakPolarHBondContact O-CG2 3.47Å; G39-V43 PolarHBondContact O-N 3.21Å
40V56.9Low56.8Low34 Ų3472.1 Ų72.121%0.20635%0.353CS..Hα-helixtrans-74.6-42.2175.7177.40000109.4L7 L10 Y37 P38 S44L7-V40 HydrophobicContact CD2-CG2 4.4Å; L10-V40 HydrophobicContact CD1-CG2 4.11Å; Y37-V40 PolarHBondContact O-N 3.47Å; P38-V40 PolarHBondContact O-N 2.8Å; V40-S44 WeakPolarHBondContact O-CB 3.39Å; V40-S44 PolarHBondContact O-N 3.32Å; V40-S44 VanDerWaalsContact O-N 3.12Å; V40-S44 PolarHBondContact O-OG 2.93Å
41W56.2Low57.4Low75 Ų7577.7 Ų77.728%0.28438%0.376SS..Iπ-helixtrans-64.3-54176.8179.8-104.3000113P34 Y37 P38 V43 T45 V46 F62 M76P34-W41 HydrophobicContact CB-CG 4.49Å; Y37-W41 PolarHBondContact O-N 3.03Å; P38-W41 PolarHBondContact O-N 2.87Å; W41-V43 PolarHBondContact O-N 2.87Å; W41-T45 HydrophobicContact CZ3-CG2 4.49Å; W41-T45 PolarHBondContact O-N 2.85Å; W41-V46 PolarHBondContact O-N 2.92Å; W41-F62 HydrophobicContact CE3-CE1 4.48Å; W41-F62 HydrophobicContact CE3-CZ 4.31Å; W41-F62 HydrophobicContact CH2-CZ 4.28Å; W41-F62 AromaticContact CZ3-CE1 3.99Å; W41-F62 HydrophobicContact CZ3-CE1 3.99Å; W41-F62 AromaticContact CZ3-CZ 3.57Å; W41-F62 HydrophobicContact CZ3-CZ 3.57Å; W41-M76 HydrophobicContact CH2-SD 4.13Å; W41-M76 HydrophobicContact CZ3-SD 3.56Å; W41-M76 VanDerWaalsContact CZ3-SD 3.56Å
42D53.2Low57.3Low86 Ų8675.8 Ų75.846%0.4637%0.372SS..Iπ-helixtrans-68.8-34.3-175-73.6-19.6000112.9P38P38-D42 WeakPolarHBondContact O-CB 3.49Å; P38-D42 VanDerWaalsContact O-CG 3.24Å; P38-D42 PolarHBondContact O-N 2.88Å
43V52.5Low57.6Low75 Ų7579.6 Ų79.646%0.45539%0.389SS..Iπ-helixtrans-94.5-37.7-172.4-173.70000112.4L3 G39 W41 Y47L3-V43 HydrophobicContact CD1-CB 3.98Å; L3-V43 HydrophobicContact CD1-CG1 3.8Å; L3-V43 HydrophobicContact CD1-CG2 4.04Å; G39-V43 WeakPolarHBondContact O-CB 3.42Å; G39-V43 WeakPolarHBondContact O-CG2 3.47Å; G39-V43 PolarHBondContact O-N 3.21Å; W41-V43 PolarHBondContact O-N 2.87Å; V43-Y47 WeakPolarHBondContact O-CB 3.34Å
44S56.4Low57.6Low55 Ų5580.3 Ų80.339%0.38539%0.394SS..Iπ-helixtrans-90.3-48.7-175760000112.9V40 K48V40-S44 WeakPolarHBondContact O-CB 3.39Å; V40-S44 PolarHBondContact O-N 3.32Å; V40-S44 VanDerWaalsContact O-N 3.12Å; V40-S44 PolarHBondContact O-OG 2.93Å; S44-K48 VanDerWaalsContact O-CG 3.28Å; S44-K48 WeakPolarHBondContact O-CG 3.36Å; S44-K48 PolarHBondContact O-N 3.18Å
45T54.5Low57.9Low19 Ų1985.7 Ų85.712%0.11741%0.414CS..Iπ-helixtrans-79.5-57.2-175.7-59.20000110.5W41 Y47 K48 F49 M76W41-T45 HydrophobicContact CZ3-CG2 4.49Å; W41-T45 PolarHBondContact O-N 2.85Å; T45-Y47 PolarHBondContact O-N 3.4Å; T45-K48 PolarHBondContact O-N 2.99Å; T45-F49 HydrophobicContact CG2-CD2 3.91Å; T45-F49 HydrophobicContact CG2-CE2 4.07Å; T45-F49 VanDerWaalsContact O-CD2 3.26Å; T45-F49 WeakPolarHBondContact O-CD2 3.36Å; T45-F49 PolarHBondContact O-N 3.43Å; T45-M76 HydrophobicContact CG2-CE 3.33Å; T45-M76 HydrophobicContact CG2-SD 3.78Å
46V53.8Low58Low51 Ų5182.3 Ų82.331%0.30940%0.404SS..Hα-helixtrans-63.9-30.1-175.8-176.80000111.9W41 R50W41-V46 PolarHBondContact O-N 2.92Å; V46-R50 WeakPolarHBondContact O-CA 3.25Å; V46-R50 WeakPolarHBondContact O-CB 3.2Å; V46-R50 WeakPolarHBondContact O-CG 3.44Å; V46-R50 PolarHBondContact O-N 2.91Å; V46-R50 PolarHBondContact O-NE 3.37Å
47Y51.4Low58.3Low151 Ų15181.1 Ų81.159%0.59239%0.394SS*.Hα-helixtrans-70.8-46.2176.1-176.6-96.6000113.1V43 T45 F49 R50V43-Y47 WeakPolarHBondContact O-CB 3.34Å; T45-Y47 PolarHBondContact O-N 3.4Å; Y47-F49 VanDerWaalsContact C-N 3.32Å; Y47-F49 PolarHBondContact O-N 3.12Å; Y47-R50 WeakPolarHBondContact O-CB 3.49Å; Y47-R50 PolarHBondContact O-N 3.36Å
48K60.3Low58.2Low150 Ų15083.7 Ų83.765%0.65241%0.409SS*.Hα-helixtrans-62.4-41.4180-76.6-179.8179.9-174.70111.2S44 T45S44-K48 VanDerWaalsContact O-CG 3.28Å; S44-K48 WeakPolarHBondContact O-CG 3.36Å; S44-K48 PolarHBondContact O-N 3.18Å; T45-K48 PolarHBondContact O-N 2.99Å
49F58Low58.4Low65 Ų6584.4 Ų84.429%0.28543%0.426SS..Hα-helixtrans-83.5-13.5179.2-69.3-78.6000114T45 Y47 K51 L52 P54 F57 M76 A80T45-F49 HydrophobicContact CG2-CD2 3.91Å; T45-F49 HydrophobicContact CG2-CE2 4.07Å; T45-F49 VanDerWaalsContact O-CD2 3.26Å; T45-F49 WeakPolarHBondContact O-CD2 3.36Å; T45-F49 PolarHBondContact O-N 3.43Å; Y47-F49 VanDerWaalsContact C-N 3.32Å; Y47-F49 PolarHBondContact O-N 3.12Å; F49-K51 PolarHBondContact O-N 2.92Å; F49-K51 VanDerWaalsContact O-N 3.1Å; F49-L52 HydrophobicContact CD1-CD1 3.93Å; F49-L52 HydrophobicContact CE1-CD1 4.48Å; F49-L52 WeakPolarHBondContact O-CA 3.24Å; F49-L52 WeakPolarHBondContact O-CB 3.27Å; F49-L52 PolarHBondContact O-N 3.32Å; F49-P54 HydrophobicContact CB-CG 4.01Å; F49-P54 WeakPolarHBondContact O-CD 3.4Å; F49-F57 HydrophobicContact CB-CE1 4.23Å; F49-F57 HydrophobicContact CB-CZ 3.66Å; F49-F57 AromaticContact CD1-CE1 3.95Å; F49-F57 HydrophobicContact CD1-CE1 3.95Å; F49-F57 HydrophobicContact CD1-CZ 4.24Å; F49-F57 AromaticContact CD2-CE1 3.8Å; F49-F57 HydrophobicContact CD2-CE1 3.8Å; F49-F57 AromaticContact CD2-CZ 3.84Å; F49-F57 HydrophobicContact CD2-CZ 3.84Å; F49-F57 HydrophobicContact CE1-CE1 4.27Å; F49-F57 HydrophobicContact CE2-CE1 4.15Å; F49-F57 AromaticContact CG-CE1 3.73Å; F49-F57 HydrophobicContact CG-CE1 3.73Å; F49-F57 AromaticContact CG-CZ 3.66Å; F49-F57 HydrophobicContact CG-CZ 3.66Å; F49-F57 HydrophobicContact CZ-CE1 4.37Å; F49-M76 HydrophobicContact CE2-CE 4.18Å; F49-A80 HydrophobicContact CD1-CB 4.27Å; F49-A80 HydrophobicContact CE1-CB 4.34Å
50R62.8Low58.8Low140 Ų14085.7 Ų85.753%0.52843%0.432SS..Hα-helixtrans-54-36.8-177.3-120.4179.9-94.5-179.7-9.3113.3V46 Y47 L52 H53V46-R50 WeakPolarHBondContact O-CA 3.25Å; V46-R50 WeakPolarHBondContact O-CB 3.2Å; V46-R50 WeakPolarHBondContact O-CG 3.44Å; V46-R50 PolarHBondContact O-N 2.91Å; V46-R50 PolarHBondContact O-NE 3.37Å; Y47-R50 WeakPolarHBondContact O-CB 3.49Å; Y47-R50 PolarHBondContact O-N 3.36Å; R50-L52 PolarHBondContact O-N 2.86Å; R50-H53 PolarHBondContact O-N 3.24Å
51K59.5Low59.1Low185 Ų18586.1 Ų86.180%0.80444%0.436SS*.THydrogen-bonded Turntrans-64.3-24.6176.9-69.2-172.5177.1-177.10113.7F49F49-K51 PolarHBondContact O-N 2.92Å; F49-K51 VanDerWaalsContact O-N 3.1Å
52L56.7Low59.6Low97 Ų9783.4 Ų83.451%0.50843%0.426SS..THydrogen-bonded Turntrans-88.3-4.6179.5-68.3172.9000112.6F49 R50 T82F49-L52 HydrophobicContact CD1-CD1 3.93Å; F49-L52 HydrophobicContact CE1-CD1 4.48Å; F49-L52 WeakPolarHBondContact O-CA 3.24Å; F49-L52 WeakPolarHBondContact O-CB 3.27Å; F49-L52 PolarHBondContact O-N 3.32Å; R50-L52 PolarHBondContact O-N 2.86Å; L52-T82 HydrophobicContact CB-CG2 3.9Å; L52-T82 WeakPolarHBondContact O-CB 3.08Å; L52-T82 WeakPolarHBondContact O-CG2 3.34Å
53H62.8Low60.1Low124 Ų12481.4 Ų81.457%0.57442%0.419SS*.  trans4554.8-174.3-64.5-81.3000113.1R50 K55R50-H53 PolarHBondContact O-N 3.24Å; H53-K55 PolarHBondContact O-N 3.27Å
54P61.6Low61Low35 Ų3579.4 Ų79.423%0.22741%0.407CS..EExtended strand (participates in β ladder)trans-60125.3179.628.2-37.5000109.1F49 F57 A80 I81F49-P54 HydrophobicContact CB-CG 4.01Å; F49-P54 WeakPolarHBondContact O-CD 3.4Å; P54-F57 HydrophobicContact CB-CD2 4.47Å; P54-F57 HydrophobicContact CB-CE1 4.39Å; P54-F57 HydrophobicContact CB-CE2 3.81Å; P54-F57 HydrophobicContact CB-CZ 3.77Å; P54-F57 HydrophobicContact CG-CE2 3.71Å; P54-F57 HydrophobicContact CG-CZ 3.66Å; P54-A80 HydrophobicContact CB-CB 4.35Å; P54-I81 CarbonylContact C-O 3.45Å; P54-I81 WeakPolarHBondContact CA-O 3.36Å
55K63Low61.6Low152 Ų15280.7 Ų80.766%0.66141%0.407SS*.EExtended strand (participates in β ladder)trans-81.2-35171.6-66-64.1-175.31800110.9H53 I81 A83H53-K55 PolarHBondContact O-N 3.27Å; K55-I81 PolarHBondContact N-O 3.27Å; K55-A83 HydrophobicContact CD-CB 4.28Å; K55-A83 HydrophobicContact CG-CB 3.69Å
56C62.6Low62.6Low58 Ų5882.9 Ų82.939%0.39242%0.417SS..EExtended strand (participates in β ladder)trans-150.1142.2-177.8-169.90000110.8I81C56-I81 PolarHBondContact N-O 3.01Å; C56-I81 PolarHBondContact O-N 2.84Å
57F66Low63.3Low66 Ų6683.6 Ų83.629%0.28942%0.423SS..EExtended strand (participates in β ladder)trans-106.1132.6165.4-69.2-86000108.9F49 P54 V60 V79 A80F49-F57 HydrophobicContact CB-CE1 4.23Å; F49-F57 HydrophobicContact CB-CZ 3.66Å; F49-F57 AromaticContact CD1-CE1 3.95Å; F49-F57 HydrophobicContact CD1-CE1 3.95Å; F49-F57 HydrophobicContact CD1-CZ 4.24Å; F49-F57 AromaticContact CD2-CE1 3.8Å; F49-F57 HydrophobicContact CD2-CE1 3.8Å; F49-F57 AromaticContact CD2-CZ 3.84Å; F49-F57 HydrophobicContact CD2-CZ 3.84Å; F49-F57 HydrophobicContact CE1-CE1 4.27Å; F49-F57 HydrophobicContact CE2-CE1 4.15Å; F49-F57 AromaticContact CG-CE1 3.73Å; F49-F57 HydrophobicContact CG-CE1 3.73Å; F49-F57 AromaticContact CG-CZ 3.66Å; F49-F57 HydrophobicContact CG-CZ 3.66Å; F49-F57 HydrophobicContact CZ-CE1 4.37Å; P54-F57 HydrophobicContact CB-CD2 4.47Å; P54-F57 HydrophobicContact CB-CE1 4.39Å; P54-F57 HydrophobicContact CB-CE2 3.81Å; P54-F57 HydrophobicContact CB-CZ 3.77Å; P54-F57 HydrophobicContact CG-CE2 3.71Å; P54-F57 HydrophobicContact CG-CZ 3.66Å; F57-V60 HydrophobicContact CB-CG2 3.78Å; F57-V79 CarbonylContact C-O 3.54Å; F57-V79 WeakPolarHBondContact CA-O 3.41Å; F57-A80 HydrophobicContact CD1-CB 3.72Å; F57-A80 HydrophobicContact CE1-CB 3.57Å; F57-A80 HydrophobicContact CZ-CB 4.44Å
58L59.3Low64.3Low72 Ų7281.3 Ų81.338%0.37742%0.421SS..EExtended strand (participates in β ladder)trans-126.2148.7-176.9-74150.9000110.2V60 V79 I81L58-V60 PolarHBondContact O-N 2.86Å; L58-V79 PolarHBondContact N-O 3.18Å; L58-V79 PolarHBondContact O-N 3.21Å; L58-I81 HydrophobicContact CD1-CD1 3.18Å; L58-I81 HydrophobicContact CD1-CG1 3.8Å
59G62.4Low64.9Low69 Ų6982.5 Ų82.571%0.71143%0.428SS*.EExtended strand (participates in β ladder)trans59.730.3176.100000113.6S61G59-S61 PolarHBondContact O-N 3.18Å
60V65.8Low65.8Low41 Ų4184.9 Ų84.925%0.24844%0.444CS..EExtended strand (participates in β ladder)trans-64.9118.3-179.7-174.40000109.1F57 L58 F62 M76 S77F57-V60 HydrophobicContact CB-CG2 3.78Å; L58-V60 PolarHBondContact O-N 2.86Å; V60-F62 HydrophobicContact CG1-CD2 4.28Å; V60-F62 HydrophobicContact CG1-CE2 3.58Å; V60-F62 HydrophobicContact CG1-CZ 3.77Å; V60-M76 HydrophobicContact CG1-CG 3.6Å; V60-M76 HydrophobicContact CG1-SD 3.83Å; V60-S77 CarbonylContact C-O 3.49Å; V60-S77 VanDerWaalsContact CA-O 3.24Å; V60-S77 WeakPolarHBondContact CA-O 3.5Å
61S62.8Low66.1Low42 Ų4283 Ų8329%0.29444%0.441SS..EExtended strand (participates in β ladder)trans-118.1147.5175.5-172.40000109.4G59 M76 S77G59-S61 PolarHBondContact O-N 3.18Å; S61-M76 CarbonylContact O-C 3.56Å; S61-M76 WeakPolarHBondContact O-CA 3.34Å; S61-S77 PolarHBondContact N-O 2.8Å; S61-S77 PolarHBondContact O-N 2.93Å
62F65.6Low66.7Low19 Ų1975.8 Ų75.88%0.08341%0.413CS..EExtended strand (participates in β ladder)trans-121.6129176.6-61.9-96.3000108.6Q30 W41 V60 I74 T75 M76Q30-F62 HydrophobicContact CG-CD2 3.95Å; W41-F62 HydrophobicContact CE3-CE1 4.48Å; W41-F62 HydrophobicContact CE3-CZ 4.31Å; W41-F62 HydrophobicContact CH2-CZ 4.28Å; W41-F62 AromaticContact CZ3-CE1 3.99Å; W41-F62 HydrophobicContact CZ3-CE1 3.99Å; W41-F62 AromaticContact CZ3-CZ 3.57Å; W41-F62 HydrophobicContact CZ3-CZ 3.57Å; V60-F62 HydrophobicContact CG1-CD2 4.28Å; V60-F62 HydrophobicContact CG1-CE2 3.58Å; V60-F62 HydrophobicContact CG1-CZ 3.77Å; F62-I74 HydrophobicContact CD1-CG2 4.22Å; F62-T75 CarbonylContact C-O 3.52Å; F62-T75 VanDerWaalsContact CA-O 3.31Å; F62-T75 WeakPolarHBondContact CA-O 3.38Å; F62-M76 HydrophobicContact CD1-CB 3.92Å; F62-M76 HydrophobicContact CD1-CG 3.9Å; F62-M76 HydrophobicContact CE1-CB 3.9Å; F62-M76 HydrophobicContact CE1-CG 3.54Å; F62-M76 HydrophobicContact CE1-SD 3.98Å; F62-M76 HydrophobicContact CZ-CG 3.96Å; F62-M76 HydrophobicContact CZ-SD 4.15Å
63S64.1Low67.3Low43 Ų4374.1 Ų74.130%0.30140%0.402SS..EExtended strand (participates in β ladder)trans-103.9141.1161.3-167.10000108.3E65 I74 T75S63-E65 PolarHBondContact OG-OE1 3.2Å; S63-I74 CarbonylContact O-C 3.56Å; S63-I74 WeakPolarHBondContact O-CA 3.39Å; S63-T75 PolarHBondContact N-O 2.85Å; S63-T75 PolarHBondContact O-N 3.45Å
64V70.9Confident67.7Low33 Ų3371.1 Ų71.120%0.239%0.39CS..EExtended strand (participates in β ladder)trans-125.3122.4172.9-175.40000107.9L20 L29 V72 Q73 I74L20-V64 HydrophobicContact CD1-CG1 3.88Å; L20-V64 HydrophobicContact CD2-CB 4Å; L20-V64 HydrophobicContact CD2-CG1 3.69Å; L20-V64 HydrophobicContact CD2-CG2 4.37Å; L20-V64 HydrophobicContact CG-CG1 4.36Å; L29-V64 HydrophobicContact CD1-CB 4.41Å; L29-V64 HydrophobicContact CD1-CG2 4.04Å; V64-V72 HydrophobicContact CG1-CG1 3.66Å; V64-Q73 CarbonylContact C-O 3.58Å; V64-Q73 VanDerWaalsContact CA-O 3.3Å; V64-Q73 WeakPolarHBondContact CA-O 3.39Å; V64-I74 HydrophobicContact CG1-CG1 4.29Å; V64-I74 HydrophobicContact CG2-CG1 4.22Å; V64-I74 HydrophobicContact CG2-CG2 4.34Å
65E69.1Low68.1Low83 Ų8371.8 Ų71.839%0.38839%0.394SS..EExtended strand (participates in β ladder)trans-123148.1-179.6-71.1170.3-15400108.9S63 P67 Q73S63-E65 PolarHBondContact OG-OE1 3.2Å; E65-P67 WeakPolarHBondContact O-CD 3.24Å; E65-Q73 HydrophobicContact CB-CB 4.33Å; E65-Q73 PolarHBondContact N-O 3.16Å; E65-Q73 PolarHBondContact O-N 3.44Å
66I75.4Confident68.3Low65 Ų6567 Ų6733%0.33337%0.374SS..  trans-118.685.4177.4-57.3177.1000105.3K17 L20 D68 E71K17-I66 HydrophobicContact CB-CD1 4.43Å; K17-I66 HydrophobicContact CG-CD1 4.42Å; L20-I66 HydrophobicContact CB-CD1 3.95Å; L20-I66 HydrophobicContact CD1-CD1 4.5Å; I66-D68 VanDerWaalsContact C-N 3.34Å; I66-D68 WeakPolarHBondContact CG2-O 3.44Å; I66-E71 WeakPolarHBondContact CG2-O 3.45Å
67P69.4Low68.5Low66 Ų6666.7 Ų66.743%0.42937%0.372SS..  trans-68.1-36.4-175.225.3-32.5000111.9E65 E71 Q73E65-P67 WeakPolarHBondContact O-CD 3.24Å; P67-E71 HydrophobicContact CG-CB 4.08Å; P67-Q73 HydrophobicContact CG-CB 4.43Å
68D72.2Confident68.6Low102 Ų10265.8 Ų65.855%0.54538%0.382SS..SBendtrans-134.2163.1-179.1-76.2-46.9000111.4I66 D70 E71I66-D68 VanDerWaalsContact C-N 3.34Å; I66-D68 WeakPolarHBondContact CG2-O 3.44Å; D68-D70 PolarHBondContact O-N 2.9Å; D68-E71 HydrophobicContact CB-CB 4.26Å; D68-E71 HydrophobicContact CB-CG 4.34Å; D68-E71 PolarHBondContact O-N 2.86Å; D68-E71 VanDerWaalsContact O-N 3.12Å
69E73.9Confident69Low175 Ų17565.2 Ų65.282%0.81838%0.382SS*.THydrogen-bonded Turntrans-56.8-26.8-178.7-69.2-168.9169.300113.3K17K17-E69 WeakPolarHBondContact CE-O 3.08Å; K17-E69 PolarHBondContact NZ-O 3.09Å
70D76.1Confident69.1Low116 Ų11663.5 Ų63.562%0.6236%0.361SS*.THydrogen-bonded Turntrans-107.6-0.7-177.3-69.9-35.4000113.8Q11 D68Q11-D70 VanDerWaalsContact CG-O 3.23Å; Q11-D70 WeakPolarHBondContact CG-O 3.48Å; Q11-D70 PolarHBondContact NE2-O 2.94Å; D68-D70 PolarHBondContact O-N 2.9Å
71E69.1Low68.9Low100 Ų10064.7 Ų64.747%0.46737%0.365SS..  trans-121.1141-173.1-61.7-165.417100112.6I66 P67 D68I66-E71 WeakPolarHBondContact CG2-O 3.45Å; P67-E71 HydrophobicContact CG-CB 4.08Å; D68-E71 HydrophobicContact CB-CB 4.26Å; D68-E71 HydrophobicContact CB-CG 4.34Å; D68-E71 PolarHBondContact O-N 2.86Å; D68-E71 VanDerWaalsContact O-N 3.12Å
72V72.4Confident68.9Low34 Ų3465 Ų6521%0.20637%0.365CS..  trans-126.7118.8171.6179.80000107.2K17 L20 V64 I74K17-V72 HydrophobicContact CG-CG2 4.47Å; L20-V72 HydrophobicContact CD1-CG1 4.29Å; V64-V72 HydrophobicContact CG1-CG1 3.66Å; V72-I74 HydrophobicContact CG1-CG1 4.18Å
73Q69.7Low68.5Low61 Ų6167 Ų6729%0.28539%0.385SS..EExtended strand (participates in β ladder)trans-97.1125175.8-179.1171-22.800109.4V64 E65 P67V64-Q73 CarbonylContact C-O 3.58Å; V64-Q73 VanDerWaalsContact CA-O 3.3Å; V64-Q73 WeakPolarHBondContact CA-O 3.39Å; E65-Q73 HydrophobicContact CB-CB 4.33Å; E65-Q73 PolarHBondContact N-O 3.16Å; E65-Q73 PolarHBondContact O-N 3.44Å; P67-Q73 HydrophobicContact CG-CB 4.43Å
74I70.6Confident68Low62 Ų6270 Ų7032%0.31840%0.398SS..EExtended strand (participates in β ladder)trans-116.7108.7176.2-55.5175.8000107.6V33 F62 S63 V64 V72V33-I74 HydrophobicContact CG1-CD1 4.41Å; F62-I74 HydrophobicContact CD1-CG2 4.22Å; S63-I74 CarbonylContact O-C 3.56Å; S63-I74 WeakPolarHBondContact O-CA 3.39Å; V64-I74 HydrophobicContact CG1-CG1 4.29Å; V64-I74 HydrophobicContact CG2-CG1 4.22Å; V64-I74 HydrophobicContact CG2-CG2 4.34Å; V72-I74 HydrophobicContact CG1-CG1 4.18Å
75T69.3Low66.9Low49 Ų4975.6 Ų75.630%0.30142%0.42SS..EExtended strand (participates in β ladder)trans-97.1118.6177.2-56.80000108.9F62 S63F62-T75 CarbonylContact C-O 3.52Å; F62-T75 VanDerWaalsContact CA-O 3.31Å; F62-T75 WeakPolarHBondContact CA-O 3.38Å; S63-T75 PolarHBondContact N-O 2.85Å; S63-T75 PolarHBondContact O-N 3.45Å
76M68.5Low65.7Low51 Ų5177.1 Ų77.125%0.25143%0.434SS..EExtended strand (participates in β ladder)trans-103.5122.1172.6-173.1-162.872.300109.6W41 T45 F49 V60 S61 F62W41-M76 HydrophobicContact CH2-SD 4.13Å; W41-M76 HydrophobicContact CZ3-SD 3.56Å; W41-M76 VanDerWaalsContact CZ3-SD 3.56Å; T45-M76 HydrophobicContact CG2-CE 3.33Å; T45-M76 HydrophobicContact CG2-SD 3.78Å; F49-M76 HydrophobicContact CE2-CE 4.18Å; V60-M76 HydrophobicContact CG1-CG 3.6Å; V60-M76 HydrophobicContact CG1-SD 3.83Å; S61-M76 CarbonylContact O-C 3.56Å; S61-M76 WeakPolarHBondContact O-CA 3.34Å; F62-M76 HydrophobicContact CD1-CB 3.92Å; F62-M76 HydrophobicContact CD1-CG 3.9Å; F62-M76 HydrophobicContact CE1-CB 3.9Å; F62-M76 HydrophobicContact CE1-CG 3.54Å; F62-M76 HydrophobicContact CE1-SD 3.98Å; F62-M76 HydrophobicContact CZ-CG 3.96Å; F62-M76 HydrophobicContact CZ-SD 4.15Å
77S67Low64.2Low51 Ų5176.6 Ų76.636%0.35744%0.435SS..EExtended strand (participates in β ladder)trans-114.4151.1171.860.60000109.8V60 S61V60-S77 CarbonylContact C-O 3.49Å; V60-S77 VanDerWaalsContact CA-O 3.24Å; V60-S77 WeakPolarHBondContact CA-O 3.5Å; S61-S77 PolarHBondContact N-O 2.8Å; S61-S77 PolarHBondContact O-N 2.93Å
78G67.1Low62.7Low48 Ų4878.7 Ų78.750%0.49545%0.449SS..EExtended strand (participates in β ladder)trans171.1172.918000000111.7
79V66.9Low60.8Low60 Ų6079.4 Ų79.436%0.36446%0.457SS..EExtended strand (participates in β ladder)trans-108.3127.2178179.90000108.8F57 L58F57-V79 CarbonylContact C-O 3.54Å; F57-V79 WeakPolarHBondContact CA-O 3.41Å; L58-V79 PolarHBondContact N-O 3.18Å; L58-V79 PolarHBondContact O-N 3.21Å
80A66.1Low59.3Low33 Ų3376.5 Ų76.527%0.27345%0.451SS..EExtended strand (participates in β ladder)trans-100.1124.617200000109.5F49 P54 F57F49-A80 HydrophobicContact CD1-CB 4.27Å; F49-A80 HydrophobicContact CE1-CB 4.34Å; P54-A80 HydrophobicContact CB-CB 4.35Å; F57-A80 HydrophobicContact CD1-CB 3.72Å; F57-A80 HydrophobicContact CE1-CB 3.57Å; F57-A80 HydrophobicContact CZ-CB 4.44Å
81I61.2Low57.1Low65 Ų6578.7 Ų78.733%0.33346%0.458SS..EExtended strand (participates in β ladder)trans-92.1124.6169.9-62.9-176000108.5P54 K55 C56 L58P54-I81 CarbonylContact C-O 3.45Å; P54-I81 WeakPolarHBondContact CA-O 3.36Å; K55-I81 PolarHBondContact N-O 3.27Å; C56-I81 PolarHBondContact N-O 3.01Å; C56-I81 PolarHBondContact O-N 2.84Å; L58-I81 HydrophobicContact CD1-CD1 3.18Å; L58-I81 HydrophobicContact CD1-CG1 3.8Å
82T62.9Low55.7Low48 Ų4881 Ų8129%0.29447%0.472SS..EExtended strand (participates in β ladder)trans-111.9137.3175.163.30000108.2L52 D84L52-T82 HydrophobicContact CB-CG2 3.9Å; L52-T82 WeakPolarHBondContact O-CB 3.08Å; L52-T82 WeakPolarHBondContact O-CG2 3.34Å; T82-D84 VanDerWaalsContact C-N 3.3Å
83A56.8Low53.9Low61 Ų6184.5 Ų84.550%0.50449%0.493SS..SBendtrans-78.2-19.2-179.500000112.9K55K55-A83 HydrophobicContact CD-CB 4.28Å; K55-A83 HydrophobicContact CG-CB 3.69Å
84D53.1Low52.3Low108 Ų10885.5 Ų85.558%0.57851%0.512SS*.  trans-109.930-162.8-51.8-28000112.4T82 V86T82-D84 VanDerWaalsContact C-N 3.3Å; D84-V86 PolarHBondContact O-N 3.09Å
85F48.4Very low50.5Low150 Ų15086.8 Ų86.866%0.65853%0.532SS*.  trans-79.678.9163.6-164.2-97.1000108.9P87F85-P87 HydrophobicContact CE1-CB 3.91Å; F85-P87 VanDerWaalsContact O-CD 3.29Å; F85-P87 WeakPolarHBondContact O-CD 3.38Å
86V43.1Very low48.8Very low114 Ų11491.7 Ų91.769%0.69156%0.556SS**  trans-75.1110.6155.1-178.70000104.5D84D84-V86 PolarHBondContact O-N 3.09Å
87P43.6Very low47Very low54 Ų5495.8 Ų95.835%0.35158%0.579SS.*  trans-53.2133.2169.621.6-29.6000106.6F85 T89F85-P87 HydrophobicContact CE1-CB 3.91Å; F85-P87 VanDerWaalsContact O-CD 3.29Å; F85-P87 WeakPolarHBondContact O-CD 3.38Å; P87-T89 PolarHBondContact O-N 2.93Å
88P38.2Very low45.4Very low110 Ų110100.4 Ų100.471%0.71460%0.598SS**  trans-56.6107.3179.221.8-30.4000107.2V90P88-V90 VanDerWaalsContact C-N 3.3Å; P88-V90 PolarHBondContact O-N 3.49Å
89T33.6Very low43.7Very low117 Ų117106 Ų10672%0.71861%0.609SS**  trans-57.8106.6164.4-52.40000104P87 E91P87-T89 PolarHBondContact O-N 2.93Å; T89-E91 PolarHBondContact O-N 3.45Å
90V41.4Very low41.9Very low115 Ų115113.9 Ų113.970%0.69763%0.632SS**  trans-62.596.3165.4179.20000103.8P88 I92P88-V90 VanDerWaalsContact C-N 3.3Å; P88-V90 PolarHBondContact O-N 3.49Å; V90-I92 HydrophobicContact CG1-CG1 4.12Å; V90-I92 PolarHBondContact O-N 3.48Å
91E30.8Very low40Very low162 Ų162120.5 Ų120.576%0.75766%0.655SS**  trans-57.697.7158-79.2-175.1165.800104.4T89 T93T89-E91 PolarHBondContact O-N 3.45Å; E91-T93 PolarHBondContact O-N 3.37Å
92I39.9Very low38.6Very low149 Ų149124.2 Ų124.276%0.76468%0.675SS**  trans-66.775.9158.7-56.2175.3000103.9V90 A94V90-I92 HydrophobicContact CG1-CG1 4.12Å; V90-I92 PolarHBondContact O-N 3.48Å; I92-A94 PolarHBondContact O-N 2.91Å
93T33.8Very low37.1Very low107 Ų107127.1 Ų127.166%0.65669%0.694SS**  trans-60.7103.7158.7-490000103E91 A95E91-T93 PolarHBondContact O-N 3.37Å; T93-A95 PolarHBondContact O-N 3.31Å
94A34.8Very low35.7Very low81 Ų81128.9 Ų128.967%0.66971%0.708SS**  trans-59.877.5175.100000108.6I92 N96I92-A94 PolarHBondContact O-N 2.91Å; A94-N96 PolarHBondContact O-N 2.86Å
95A33.3Very low34.4Very low90 Ų90131.1 Ų131.174%0.74472%0.72SS**  trans-79.146.3159.700000108.4T93 D97T93-A95 PolarHBondContact O-N 3.31Å; A95-D97 VanDerWaalsContact C-N 3.26Å
96N33.7Very low33.4Very low152 Ų152128.2 Ų128.281%0.81372%0.718SS**  trans-94.760.2160.4-84.4-12.4000106.9A94A94-N96 PolarHBondContact O-N 2.86Å
97D30.7Very low32.6Very low136 Ų136127.5 Ų127.573%0.72772%0.718SS**  trans-165.3142.7150.6-128-23.7000111.1A95A95-D97 VanDerWaalsContact C-N 3.26Å
98I32.9Very low31.9Very low149 Ų149133.8 Ų133.876%0.76474%0.743SS**SBendtrans83.979.4173.1-42.8159.3000115.3
99F31.7Very low31.2Very low166 Ų166136.6 Ų136.673%0.72874%0.744SS**  -170.894.393.5-149.4-103.8000109.9K101F99-K101 PolarHBondContact O-N 3.09Å
100R29.3Very low31Very low224 Ų224137.1 Ų137.185%0.84575%0.752SS**  trans-58131.1157-81.6172.8157.9128.3-5.6108.4
101K27.4Very low30.3Very low173 Ų173139.3 Ų139.375%0.75276%0.755SS**  trans50.899.4133-166.8-178.3-173.1178.90115.7F99F99-K101 PolarHBondContact O-N 3.09Å
102D31.3Very low30.1Very low142 Ų142136.9 Ų136.976%0.75976%0.756SS**  trans-129.4122.9139-88.2-37000111
103T30.5Very low29.7Very low110 Ų110137.5 Ų137.568%0.67576%0.759SS**  trans-67.8143.7172.625.30000111.9
104A28.7Very low29.3Very low97 Ų97140.6 Ų140.680%0.80277%0.766SS**  trans46.8105.514500000118.3
105D25.6Very low29Very low156 Ų156140.2 Ų140.283%0.83477%0.77SS**  -163.1159.1116.8-138.1-29.3000112.1
106S26.5Very low28.5Very low88 Ų88145 Ų14562%0.61577%0.769SS**  trans-50.3162.8-172.458.70000120.8
107S27.2Very low28.5Very low99 Ų99147.6 Ų147.669%0.69277%0.773SS**  trans108.1109.2138-60.30000119.7
108Q29.4Very low28.5Very low186 Ų186146.6 Ų146.687%0.86977%0.768SS**  trans87.3104.6139.2-62.5-173.7-0.600121.5
109K22Very low28.2Very low170 Ų170147.3 Ų147.374%0.73977%0.768SS**  56.4108117.3-151.7178.9-171.7-175.10118.7
110S31.2Very low28.1Very low128 Ų128146.4 Ų146.490%0.89577%0.769SS**  trans-153.8129.3139.3-78.80000110
111E26.7Very low28Very low160 Ų160142.9 Ų142.975%0.74876%0.762SS**  trans-85.7153-174.8-71.9160.4167.200111.9
112S25.6Very low28.2Very low111 Ų111142.5 Ų142.578%0.77677%0.767SS**  trans116.1131137.7780000119.6
113I31.3Very low28.1Very low163 Ų163139.8 Ų139.884%0.83676%0.759SS**  trans83.983.8163.8-40.2-169.6000118.1G115I113-G115 PolarHBondContact O-N 3.1Å; I113-G115 VanDerWaalsContact O-N 3.13Å
114Q25.3Very low28Very low171 Ų171141.5 Ų141.580%0.79976%0.764SS**  trans-56.491.1162.3-169.378.52.900112.6R116Q114-R116 PolarHBondContact O-N 3.08Å
115G28Very low28Very low73 Ų73148.6 Ų148.675%0.75377%0.77SS**  trans-85.587.3162.100000110.5I113 F117I113-G115 PolarHBondContact O-N 3.1Å; I113-G115 VanDerWaalsContact O-N 3.13Å; G115-F117 PolarHBondContact O-N 3.37Å; G115-F117 VanDerWaalsContact O-N 3.1Å
116R24.6Very low28.5Very low190 Ų190147.5 Ų147.572%0.71777%0.769SS**  trans-6994.1-179.3-176.1-176.2-176.6176.91.6111.4Q114 D118Q114-R116 PolarHBondContact O-N 3.08Å; R116-D118 IonicContact CZ-OD2 3.91Å; R116-D118 IonicContact NE-OD2 3.11Å; R116-D118 PolarHBondContact NE-OD2 3.06Å; R116-D118 VanDerWaalsContact NE-OD2 3.11Å; R116-D118 IonicContact NH2-OD2 3.79Å
117F32.8Very low28.5Very low208 Ų208151.1 Ų151.191%0.91278%0.781SS**  trans-113.197.3149.1-88.4-83.9000107G115 H119G115-F117 PolarHBondContact O-N 3.37Å; G115-F117 VanDerWaalsContact O-N 3.1Å; F117-H119 PolarHBondContact O-N 3.24Å
118D29.8Very low28.6Very low114 Ų114153.6 Ų153.661%0.6179%0.787SS**  trans-56.4119.9179.9-74.8-42.8000109.4R116 I120R116-D118 IonicContact CZ-OD2 3.91Å; R116-D118 IonicContact NE-OD2 3.11Å; R116-D118 PolarHBondContact NE-OD2 3.06Å; R116-D118 VanDerWaalsContact NE-OD2 3.11Å; R116-D118 IonicContact NH2-OD2 3.79Å; D118-I120 PolarHBondContact O-N 3.48Å
119H27.2Very low28.6Very low165 Ų165147.8 Ų147.876%0.76478%0.777SS**  trans-57.899.5173.6-145.1-55.8000108.2F117 Q121F117-H119 PolarHBondContact O-N 3.24Å; H119-Q121 VanDerWaalsContact C-N 3.26Å; H119-Q121 PolarHBondContact O-N 3.21Å
120I30.6Very low29.1Very low147 Ų147150.1 Ų150.175%0.75479%0.788SS**  trans-68.493168.1-60.2177.7000106.4D118 L122D118-I120 PolarHBondContact O-N 3.48Å; I120-L122 HydrophobicContact CG2-CD1 4.42Å; I120-L122 HydrophobicContact CG2-CG 4.19Å; I120-L122 PolarHBondContact O-N 3.15Å; I120-L122 VanDerWaalsContact O-N 3.09Å
121Q27Very low29.2Very low149 Ų149148.9 Ų148.970%0.69679%0.785SS**  trans-71.394.8168-66.9-174.525.200108H119 S123H119-Q121 VanDerWaalsContact C-N 3.26Å; H119-Q121 PolarHBondContact O-N 3.21Å; Q121-S123 PolarHBondContact O-N 3.02Å; Q121-S123 VanDerWaalsContact O-N 3.1Å
122L30.5Very low29.5Very low166 Ų166148.2 Ų148.287%0.86979%0.786SS**  trans-79.470.7159-80.7155.5000107.6I120I120-L122 HydrophobicContact CG2-CD1 4.42Å; I120-L122 HydrophobicContact CG2-CG 4.19Å; I120-L122 PolarHBondContact O-N 3.15Å; I120-L122 VanDerWaalsContact O-N 3.09Å
123S29.2Very low30Very low84 Ų84149 Ų14959%0.58779%0.788SS**  trans-85116.1167.545.30000109.4Q121Q121-S123 PolarHBondContact O-N 3.02Å; Q121-S123 VanDerWaalsContact O-N 3.1Å
124D29.8Very low30.6Very low147 Ų147148.2 Ų148.279%0.78678%0.781SS**  trans35.1101.5145.1-60.8-26.7000117.7
125R27.8Very low31.6Very low245 Ų245148.2 Ų148.293%0.92578%0.781SS**  trans175.582.8139-95.6154.1-173.9-155.93.4111.3
126V35.2Very low32.6Very low133 Ų133153.2 Ų153.281%0.80678%0.782SS**  -155.284.3129.6-174.70000107.3N128V126-N128 HydrophobicContact CG1-CB 4.09Å; V126-N128 PolarHBondContact O-N 3.36Å
127N27.8Very low33.9Very low164 Ų164145.5 Ų145.588%0.87776%0.756SS**  trans-65.8107.4150.9-92.6-21.9000106.6
128N29.9Very low34.9Very low152 Ų152142 Ų14281%0.81374%0.743SS**  trans-159.5103.3156.6-107.7-1000111.7V126V126-N128 HydrophobicContact CG1-CB 4.09Å; V126-N128 PolarHBondContact O-N 3.36Å
129G28.3Very low36.2Very low64 Ų64139.1 Ų139.166%0.6673%0.732SS**SBendtrans71.7126137.400000118.5
130F33.1Very low37.8Very low219 Ų219134 Ų13496%0.96172%0.723SS**  trans83.345.9170.6-52.8-82.5000117.2L132F130-L132 PolarHBondContact O-N 2.82Å
131A33.2Very low40.2Very low102 Ų102132.1 Ų132.184%0.84371%0.714SS**  trans-80.197.315400000108.6
132L33.1Very low43.2Very low146 Ų146125.4 Ų125.476%0.76468%0.684SS**  trans-56.8141.8154.4-77.6164.3000107.3F130 Q134F130-L132 PolarHBondContact O-N 2.82Å; L132-Q134 PolarHBondContact O-N 2.82Å
133P35.8Very low46.1Very low126 Ų126119.5 Ų119.582%0.81865%0.651SS**  trans-67.585.817727.1-31.2000108.6Q135P133-Q135 PolarHBondContact O-N 3.43Å
134Q43.6Very low49.1Very low148 Ų148117.5 Ų117.569%0.69264%0.635SS**  trans-73.7112.3167.2-70-171-46.600106L132 K136 A201L132-Q134 PolarHBondContact O-N 2.82Å; Q134-K136 VanDerWaalsContact C-N 3.33Å; Q134-K136 PolarHBondContact O-N 3.01Å; Q134-A201 PolarHBondContact NE2-O 3.18Å
135Q46.9Very low51.7Low170 Ų170111.5 Ų111.579%0.79460%0.604SS**  trans-55.1104.2163.6-178.7177.9-17.800106.3P133 V137P133-Q135 PolarHBondContact O-N 3.43Å; Q135-V137 PolarHBondContact O-N 2.77Å
136K47.7Very low54.4Low178 Ų178102.3 Ų102.377%0.77458%0.58SS**  trans-69.586.2179.8-173.5-172.7178.4-164.30107.1Q134 E138Q134-K136 VanDerWaalsContact C-N 3.33Å; Q134-K136 PolarHBondContact O-N 3.01Å; K136-E138 PolarHBondContact O-N 2.72Å
137V52.8Low56.8Low29 Ų29100.6 Ų100.618%0.17657%0.566CS.*  trans-63.1118166.1-179.40000105.5Q135 S139 V142 A200 N205Q135-V137 PolarHBondContact O-N 2.77Å; V137-S139 PolarHBondContact O-N 3.31Å; V137-V142 HydrophobicContact CG1-CG2 4.33Å; V137-A200 HydrophobicContact CB-CB 4.5Å; V137-N205 HydrophobicContact CG1-CB 4.38Å
138E54.7Low59.7Low134 Ų134100 Ų10063%0.62656%0.56SS**  trans-66128174.3-62.7-165.715900108.1K136 G140 D141K136-E138 PolarHBondContact O-N 2.72Å; E138-G140 PolarHBondContact O-N 2.97Å; E138-D141 PolarHBondContact O-N 2.81Å
139S55.7Low62.4Low54 Ų5499.1 Ų99.138%0.37855%0.551SS.*G310 helixtrans-58-13.2-173.2-46.40000114.6V137 D141V137-S139 PolarHBondContact O-N 3.31Å; S139-D141 VanDerWaalsContact C-N 3.28Å
140G61.5Low65.3Low56 Ų5696.6 Ų96.658%0.57752%0.523SS*.G310 helixtrans-66.5-26.617500000113.8E138E138-G140 PolarHBondContact O-N 2.97Å
141D80Confident67.7Low108 Ų10889.1 Ų89.158%0.57850%0.496SS*.G310 helixtrans-94.91.1-175.7-67.7-20.6000113.5E138 S139 F143E138-D141 PolarHBondContact O-N 2.81Å; S139-D141 VanDerWaalsContact C-N 3.28Å; D141-F143 PolarHBondContact O-N 2.87Å
142V91.2Very high70Confident9 Ų989.7 Ų89.76%0.05550%0.501CS..  trans-78114.6-179.9176.20000110.4V137 R196 V199 A200 N205V137-V142 HydrophobicContact CG1-CG2 4.33Å; V142-R196 HydrophobicContact CB-CB 4.21Å; V142-R196 HydrophobicContact CB-CG 4.17Å; V142-R196 HydrophobicContact CG1-CB 4.31Å; V142-R196 HydrophobicContact CG1-CG 4.13Å; V142-V199 HydrophobicContact CB-CG1 4.43Å; V142-V199 HydrophobicContact CG1-CB 3.7Å; V142-V199 HydrophobicContact CG1-CG1 3.39Å; V142-V199 HydrophobicContact CG1-CG2 4.23Å; V142-V199 HydrophobicContact CG2-CG1 4.15Å; V142-A200 HydrophobicContact CG2-CB 4.02Å; V142-N205 WeakPolarHBondContact CA-O 3.42Å
143F90.8Very high72.1Confident42 Ų4285 Ų8518%0.18449%0.488CS..EExtended strand (participates in β ladder)trans-81.1148.517272.1-97000111.6D141 T145 P150 P151 N205 G206 M207 V208 V237 T239D141-F143 PolarHBondContact O-N 2.87Å; F143-T145 HydrophobicContact CD2-CG2 4.04Å; F143-T145 HydrophobicContact CE2-CG2 3.96Å; F143-P150 HydrophobicContact CE1-CB 4.34Å; F143-P150 HydrophobicContact CE2-CB 3.96Å; F143-P150 HydrophobicContact CZ-CB 3.55Å; F143-P151 HydrophobicContact CB-CG 4.36Å; F143-P151 HydrophobicContact CD2-CG 3.95Å; F143-P151 HydrophobicContact CE2-CG 4.47Å; F143-P151 HydrophobicContact CG-CG 4.12Å; F143-N205 WeakPolarHBondContact CD1-O 3.3Å; F143-N205 WeakPolarHBondContact CE1-O 3.06Å; F143-N205 PolarHBondContact N-O 3.27Å; F143-G206 CarbonylContact O-C 3.48Å; F143-G206 VanDerWaalsContact O-CA 3.22Å; F143-G206 WeakPolarHBondContact O-CA 3.36Å; F143-M207 PolarHBondContact O-N 3Å; F143-V208 HydrophobicContact CE2-CG1 3.91Å; F143-V208 HydrophobicContact CZ-CG1 4.41Å; F143-V237 HydrophobicContact CZ-CG2 4.23Å; F143-T239 HydrophobicContact CE1-CG2 3.77Å; F143-T239 HydrophobicContact CZ-CG2 3.57Å
144V91.4Very high74.5Confident42 Ų4279.8 Ų79.826%0.25545%0.454SS..EExtended strand (participates in β ladder)trans-129.1123.9170.7177.90000107.9M192 I195 R196 M207 F210V144-M192 HydrophobicContact CB-CE 4.09Å; V144-M192 HydrophobicContact CG1-CE 4.12Å; V144-M192 HydrophobicContact CG2-CE 4.12Å; V144-I195 HydrophobicContact CG2-CG2 4.26Å; V144-R196 HydrophobicContact CG2-CG 4.2Å; V144-M207 WeakPolarHBondContact CA-O 3.28Å; V144-M207 HydrophobicContact CB-CE 4.38Å; V144-M207 HydrophobicContact CG1-CE 3.46Å; V144-M207 VanDerWaalsContact CG1-CE 3.46Å; V144-M207 HydrophobicContact CG2-CB 4.44Å; V144-M207 HydrophobicContact CG2-CE 4.08Å; V144-F210 HydrophobicContact CG1-CB 3.85Å; V144-F210 HydrophobicContact CG1-CD1 4.04Å; V144-F210 HydrophobicContact CG1-CD2 3.78Å; V144-F210 HydrophobicContact CG1-CE1 4.49Å; V144-F210 HydrophobicContact CG1-CE2 4.19Å; V144-F210 HydrophobicContact CG1-CG 3.62Å
145T85.3Confident76.8Confident21 Ų2179.3 Ų79.313%0.12945%0.446CS..  trans-136.7140.1-178.1-176.20000111.5F143 L147 M207 V208 S209 F210F143-T145 HydrophobicContact CD2-CG2 4.04Å; F143-T145 HydrophobicContact CE2-CG2 3.96Å; T145-L147 HydrophobicContact CG2-CB 4.49Å; T145-L147 PolarHBondContact O-N 2.87Å; T145-L147 WeakPolarHBondContact OG1-CB 3.37Å; T145-L147 PolarHBondContact OG1-N 3.44Å; T145-M207 PolarHBondContact N-O 2.78Å; T145-V208 HydrophobicContact CG2-CB 4.27Å; T145-V208 HydrophobicContact CG2-CG1 3.85Å; T145-V208 CarbonylContact O-C 3.56Å; T145-V208 WeakPolarHBondContact O-CA 3.49Å; T145-S209 PolarHBondContact O-N 3.1Å; T145-F210 VanDerWaalsContact O-CB 3.25Å; T145-F210 WeakPolarHBondContact O-CB 3.47Å; T145-F210 PolarHBondContact O-N 3.31Å
146A85.4Confident79.1Confident52 Ų5274.6 Ų74.643%0.4343%0.426SS..SBendtrans-74.3-13.1171.900000112.3
147L85.3Confident81.3Confident97 Ų9772.1 Ų72.151%0.50842%0.417SS..SBendtrans-76.7152.1177.5-57178.4000110.6T145 E149 V208 S209T145-L147 HydrophobicContact CG2-CB 4.49Å; T145-L147 PolarHBondContact O-N 2.87Å; T145-L147 WeakPolarHBondContact OG1-CB 3.37Å; T145-L147 PolarHBondContact OG1-N 3.44Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-V208 WeakPolarHBondContact O-CB 3.43Å; L147-S209 PolarHBondContact O-N 2.81Å
148M88.3Confident83.4Confident152 Ų15276.8 Ų76.875%0.74944%0.435SS*.SBendtrans-73.6-26.5172.6-63.9-17770.700112.2
149E87.2Confident85.5Confident133 Ų13376.2 Ų76.262%0.62143%0.428SS*.SBendtrans-95.9138.4179-165.8171.5178.900110.3L147L147-E149 VanDerWaalsContact C-N 3.3Å
150P87.7Confident87.5Confident10 Ų1076.2 Ų76.27%0.06542%0.423CS..PPolyproline II helixtrans-72.3161.6178.933.5-39.2000112.1F143 S154 I156 V208 T239F143-P150 HydrophobicContact CE1-CB 4.34Å; F143-P150 HydrophobicContact CE2-CB 3.96Å; F143-P150 HydrophobicContact CZ-CB 3.55Å; P150-S154 VanDerWaalsContact CB-OG 3.31Å; P150-S154 WeakPolarHBondContact CB-OG 3.21Å; P150-S154 VanDerWaalsContact CG-O 3.28Å; P150-S154 WeakPolarHBondContact CG-O 3.05Å; P150-S154 VanDerWaalsContact CG-OG 3.29Å; P150-S154 WeakPolarHBondContact CG-OG 3.39Å; P150-I156 HydrophobicContact CG-CG1 4.1Å; P150-V208 HydrophobicContact CB-CG1 4.39Å; P150-T239 HydrophobicContact CB-CG2 3.61Å; P150-T239 HydrophobicContact CG-CG2 3.85Å
151P84.1Confident89.2Confident62 Ų6274.5 Ų74.540%0.40341%0.406SS..G310 helixtrans-64.6163.6-177.2-2133.6000114F143 G153 S154F143-P151 HydrophobicContact CB-CG 4.36Å; F143-P151 HydrophobicContact CD2-CG 3.95Å; F143-P151 HydrophobicContact CE2-CG 4.47Å; F143-P151 HydrophobicContact CG-CG 4.12Å; P151-G153 VanDerWaalsContact C-N 3.25Å; P151-G153 PolarHBondContact O-N 2.88Å; P151-G153 VanDerWaalsContact O-N 3.15Å; P151-S154 WeakPolarHBondContact O-CB 3.43Å; P151-S154 PolarHBondContact O-N 3.5Å; P151-S154 PolarHBondContact O-OG 3.31Å
152A80.6Confident90Very high114 Ų11475.5 Ų75.594%0.94240%0.402SS*.G310 helixtrans58.225.3168.400000116.2S154A152-S154 PolarHBondContact O-N 3.43Å
153G78.2Confident90.3Very high48 Ų4875.3 Ų75.350%0.49540%0.401SS..G310 helixtrans67.219.2-179.700000113.6P151 S242P151-G153 VanDerWaalsContact C-N 3.25Å; P151-G153 PolarHBondContact O-N 2.88Å; P151-G153 VanDerWaalsContact O-N 3.15Å; G153-S242 PolarHBondContact O-OG 2.9Å
154S86.9Confident90.6Very high16 Ų1677.2 Ų77.211%0.11241%0.412CS..  trans-65.5158.9167.159.80000110.1P150 P151 A152 V240P150-S154 VanDerWaalsContact CB-OG 3.31Å; P150-S154 WeakPolarHBondContact CB-OG 3.21Å; P150-S154 VanDerWaalsContact CG-O 3.28Å; P150-S154 WeakPolarHBondContact CG-O 3.05Å; P150-S154 VanDerWaalsContact CG-OG 3.29Å; P150-S154 WeakPolarHBondContact CG-OG 3.39Å; P151-S154 WeakPolarHBondContact O-CB 3.43Å; P151-S154 PolarHBondContact O-N 3.5Å; P151-S154 PolarHBondContact O-OG 3.31Å; A152-S154 PolarHBondContact O-N 3.43Å; S154-V240 WeakPolarHBondContact CA-O 3.43Å; S154-V240 WeakPolarHBondContact CB-O 3.24Å
155R91.4Very high90.8Very high139 Ų13979.6 Ų79.653%0.52542%0.42SS..EExtended strand (participates in β ladder)trans-115.1145.7174.766.8179.4-173.3-83.6-1110.2E157 T239 V240R155-E157 PolarHBondContact O-N 2.91Å; R155-T239 VanDerWaalsContact O-CA 3.25Å; R155-T239 WeakPolarHBondContact O-CA 3.34Å; R155-V240 HydrophobicContact CG-CG2 3.42Å; R155-V240 VanDerWaalsContact CG-CG2 3.42Å; R155-V240 PolarHBondContact N-O 3.42Å; R155-V240 PolarHBondContact O-N 3.31Å
156I95Very high91.3Very high71 Ų7185.1 Ų85.136%0.36444%0.442SS..EExtended strand (participates in β ladder)trans-67.5117.5171.2-63.4168.5000107.6P150 V208 V237 T239P150-I156 HydrophobicContact CG-CG1 4.1Å; I156-V208 HydrophobicContact CD1-CG2 4.39Å; I156-V237 HydrophobicContact CD1-CG1 4.21Å; I156-V237 HydrophobicContact CG1-CB 4.44Å; I156-V237 HydrophobicContact CG1-CG1 4.34Å; I156-V237 HydrophobicContact CG1-CG2 4.43Å; I156-V237 HydrophobicContact CG2-CB 4.05Å; I156-V237 HydrophobicContact CG2-CG1 3.9Å; I156-T239 HydrophobicContact CG1-CG2 4.39Å
157E94.3Very high91.8Very high126 Ų12684.2 Ų84.259%0.58943%0.429SS*.EExtended strand (participates in β ladder)trans-85.1-43.8174179.5-179.9-143.100110.5R155 T238 V240R155-E157 PolarHBondContact O-N 2.91Å; E157-T238 PolarHBondContact N-O 3.41Å; E157-V240 HydrophobicContact CB-CG1 3.88Å; E157-V240 HydrophobicContact CB-CG2 4.18Å; E157-V240 VanDerWaalsContact CD-CG1 3.48Å; E157-V240 HydrophobicContact CG-CG1 4.15Å; E157-V240 WeakPolarHBondContact OE2-CG1 3.33Å
158K96.5Very high92.3Very high127 Ų12785 Ų8555%0.55243%0.432SS*.EExtended strand (participates in β ladder)trans-145.2134.2-175.5-172.3176.3177.3-172.60111.8L160 V237 T238K158-L160 HydrophobicContact CD-CD2 3.86Å; K158-L160 HydrophobicContact CG-CD2 4.07Å; K158-V237 CarbonylContact O-C 3.55Å; K158-V237 VanDerWaalsContact O-CA 3.31Å; K158-V237 WeakPolarHBondContact O-CA 3.5Å; K158-T238 PolarHBondContact N-O 2.89Å; K158-T238 PolarHBondContact O-N 3.29Å
159Y97.7Very high92.6Very high122 Ų12281.2 Ų81.248%0.47841%0.409SS..EExtended strand (participates in β ladder)trans-82.8129.8165.3-177.6-106.8000110.1G161 Y162 D235 V237Y159-G161 VanDerWaalsContact CZ-C 3.44Å; Y159-G161 VanDerWaalsContact OH-C 3.23Å; Y159-Y162 WeakPolarHBondContact OH-CA 3.29Å; Y159-Y162 WeakPolarHBondContact OH-CB 3.31Å; Y159-Y162 PolarHBondContact OH-N 2.93Å; Y159-Y162 VanDerWaalsContact OH-N 3.13Å; Y159-D235 HydrophobicContact CE2-CB 3.76Å; Y159-D235 VanDerWaalsContact CE2-OD1 3.25Å; Y159-D235 WeakPolarHBondContact CE2-OD1 3.32Å; Y159-D235 PolarHBondContact OH-OD1 2.99Å; Y159-V237 HydrophobicContact CD2-CG1 4.22Å
160L97.7Very high92.9Very high53 Ų5381.3 Ų81.328%0.27741%0.41SS..EExtended strand (participates in β ladder)trans-107.1-26-176.6-62.9175.8000113K158 I236K158-L160 HydrophobicContact CD-CD2 3.86Å; K158-L160 HydrophobicContact CG-CD2 4.07Å; L160-I236 HydrophobicContact CB-CB 4.17Å; L160-I236 HydrophobicContact CB-CG2 3.95Å; L160-I236 WeakPolarHBondContact CB-O 3.43Å; L160-I236 HydrophobicContact CD1-CG2 3.95Å; L160-I236 PolarHBondContact N-O 3.25Å
161G97.8Very high93.2Very high20 Ų2081.8 Ų81.821%0.20641%0.413CS..EExtended strand (participates in β ladder)trans152.8171.8174.600000113.6Y159 I236Y159-G161 VanDerWaalsContact CZ-C 3.44Å; Y159-G161 VanDerWaalsContact OH-C 3.23Å; G161-I236 PolarHBondContact N-O 2.74Å; G161-I236 PolarHBondContact O-N 3.06Å
162Y97.6Very high93.7Very high130 Ų13081.2 Ų81.251%0.5142%0.418SS..EExtended strand (participates in β ladder)trans-90.9126.8175.8-177.4-117.1000109.7Y159 D164 S233 G234Y159-Y162 WeakPolarHBondContact OH-CA 3.29Å; Y159-Y162 WeakPolarHBondContact OH-CB 3.31Å; Y159-Y162 PolarHBondContact OH-N 2.93Å; Y159-Y162 VanDerWaalsContact OH-N 3.13Å; Y162-D164 HydrophobicContact CD1-CB 3.98Å; Y162-D164 HydrophobicContact CE1-CB 3.46Å; Y162-D164 VanDerWaalsContact CE1-CB 3.46Å; Y162-S233 VanDerWaalsContact OH-CB 3.27Å; Y162-S233 WeakPolarHBondContact OH-CB 3.21Å; Y162-G234 WeakPolarHBondContact CD2-O 3.38Å
163Y97.4Very high94.2Very high5 Ų577.3 Ų77.32%0.0239%0.386CS..EExtended strand (participates in β ladder)trans-95127.6173.1-171.5-90.5000108.7F165 F167 I195 H198 M207 V232 S233 G234 I236Y163-F165 AromaticContact CD1-CD2 3.95Å; Y163-F165 HydrophobicContact CD1-CD2 3.95Å; Y163-F165 AromaticContact CD2-CD2 3.76Å; Y163-F165 HydrophobicContact CD2-CD2 3.76Å; Y163-F165 AromaticContact CD2-CE2 3.78Å; Y163-F165 HydrophobicContact CD2-CE2 3.78Å; Y163-F165 HydrophobicContact CE1-CB 4.04Å; Y163-F165 AromaticContact CE1-CD2 3.64Å; Y163-F165 HydrophobicContact CE1-CD2 3.64Å; Y163-F165 HydrophobicContact CE1-CG 4.23Å; Y163-F165 AromaticContact CE2-CD2 3.42Å; Y163-F165 HydrophobicContact CE2-CD2 3.42Å; Y163-F165 VanDerWaalsContact CE2-CD2 3.42Å; Y163-F165 AromaticContact CE2-CE2 3.58Å; Y163-F165 HydrophobicContact CE2-CE2 3.58Å; Y163-F165 HydrophobicContact CE2-CG 4.39Å; Y163-F165 HydrophobicContact CG-CD2 4.03Å; Y163-F165 HydrophobicContact CG-CE2 4.37Å; Y163-F165 AromaticContact CZ-CD2 3.36Å; Y163-F165 AromaticContact CZ-CG 3.98Å; Y163-F167 WeakPolarHBondContact OH-CZ 3.45Å; Y163-I195 HydrophobicContact CE1-CG1 4.06Å; Y163-H198 HydrophobicContact CD2-CB 4.37Å; Y163-H198 HydrophobicContact CE2-CB 3.68Å; Y163-H198 AromaticContact CE2-CG 3.71Å; Y163-H198 AromaticContact CE2-ND1 3.87Å; Y163-M207 HydrophobicContact CD1-SD 4.41Å; Y163-M207 HydrophobicContact CG-SD 4.42Å; Y163-V232 HydrophobicContact CD1-CG1 4.23Å; Y163-V232 HydrophobicContact CE1-CB 4.36Å; Y163-V232 HydrophobicContact CE1-CG1 3.98Å; Y163-S233 CarbonylContact O-C 3.54Å; Y163-S233 WeakPolarHBondContact O-CA 3.23Å; Y163-S233 WeakPolarHBondContact O-CB 3.3Å; Y163-G234 WeakPolarHBondContact CB-O 3.44Å; Y163-G234 PolarHBondContact N-O 2.79Å; Y163-G234 PolarHBondContact O-N 3.45Å; Y163-I236 HydrophobicContact CD2-CD1 4.12Å
164D96.1Very high94.7Very high81 Ų8175.7 Ų75.743%0.43337%0.367SS..EExtended strand (participates in β ladder)trans-152.8105.9176.6-169.15.7000109.9Y162 V232Y162-D164 HydrophobicContact CD1-CB 3.98Å; Y162-D164 HydrophobicContact CE1-CB 3.46Å; Y162-D164 VanDerWaalsContact CE1-CB 3.46Å; D164-V232 WeakPolarHBondContact CA-O 3.42Å
165F96.4Very high94.8Very high92 Ų9282.5 Ų82.540%0.40439%0.39SS..EExtended strand (participates in β ladder)trans-138.9146.5-175.3-75.8-94000111.4Y163 F167 V232Y163-F165 AromaticContact CD1-CD2 3.95Å; Y163-F165 HydrophobicContact CD1-CD2 3.95Å; Y163-F165 AromaticContact CD2-CD2 3.76Å; Y163-F165 HydrophobicContact CD2-CD2 3.76Å; Y163-F165 AromaticContact CD2-CE2 3.78Å; Y163-F165 HydrophobicContact CD2-CE2 3.78Å; Y163-F165 HydrophobicContact CE1-CB 4.04Å; Y163-F165 AromaticContact CE1-CD2 3.64Å; Y163-F165 HydrophobicContact CE1-CD2 3.64Å; Y163-F165 HydrophobicContact CE1-CG 4.23Å; Y163-F165 AromaticContact CE2-CD2 3.42Å; Y163-F165 HydrophobicContact CE2-CD2 3.42Å; Y163-F165 VanDerWaalsContact CE2-CD2 3.42Å; Y163-F165 AromaticContact CE2-CE2 3.58Å; Y163-F165 HydrophobicContact CE2-CE2 3.58Å; Y163-F165 HydrophobicContact CE2-CG 4.39Å; Y163-F165 HydrophobicContact CG-CD2 4.03Å; Y163-F165 HydrophobicContact CG-CE2 4.37Å; Y163-F165 AromaticContact CZ-CD2 3.36Å; Y163-F165 AromaticContact CZ-CG 3.98Å; F165-F167 HydrophobicContact CB-CE2 3.98Å; F165-F167 HydrophobicContact CB-CZ 4.2Å; F165-V232 PolarHBondContact N-O 2.82Å; F165-V232 PolarHBondContact O-N 2.9Å
166F95.7Very high94.8Very high137 Ų13782.2 Ų82.260%0.60140%0.395SS*.EExtended strand (participates in β ladder)trans-101.9136.3168.2-65.9-94.8000109.3L229 V230F166-L229 HydrophobicContact CD1-CD1 4.47Å; F166-V230 CarbonylContact C-O 3.56Å; F166-V230 WeakPolarHBondContact CA-O 3.39Å
167F96Very high94.4Very high34 Ų3481.3 Ų81.315%0.14939%0.39CS..EExtended strand (participates in β ladder)trans-117.2132175.1-65.5-82.8000109.8Y163 F165 I191 I194 L229 V230 V232Y163-F167 WeakPolarHBondContact OH-CZ 3.45Å; F165-F167 HydrophobicContact CB-CE2 3.98Å; F165-F167 HydrophobicContact CB-CZ 4.2Å; F167-I191 HydrophobicContact CB-CD1 3.99Å; F167-I191 HydrophobicContact CB-CG1 4Å; F167-I191 HydrophobicContact CD1-CG1 4.22Å; F167-I191 HydrophobicContact CD2-CG1 4.23Å; F167-I191 HydrophobicContact CD2-CG2 3.89Å; F167-I191 HydrophobicContact CE2-CG2 3.94Å; F167-I191 HydrophobicContact CG-CD1 4.36Å; F167-I191 HydrophobicContact CG-CG1 3.89Å; F167-I191 HydrophobicContact CG-CG2 4.39Å; F167-I191 HydrophobicContact CZ-CG2 4.49Å; F167-I194 HydrophobicContact CE1-CB 4.43Å; F167-I194 HydrophobicContact CE1-CD1 4.06Å; F167-I194 HydrophobicContact CE1-CG2 3.91Å; F167-I194 HydrophobicContact CZ-CG2 3.99Å; F167-L229 WeakPolarHBondContact O-CA 3.19Å; F167-V230 HydrophobicContact CB-CG2 3.84Å; F167-V230 HydrophobicContact CD2-CG2 4.31Å; F167-V230 PolarHBondContact N-O 2.66Å; F167-V230 PolarHBondContact O-N 3.45Å; F167-V232 HydrophobicContact CD2-CB 4.49Å; F167-V232 HydrophobicContact CD2-CG2 3.99Å; F167-V232 HydrophobicContact CE2-CB 4.19Å; F167-V232 HydrophobicContact CE2-CG2 4.05Å
168I95.6Very high94Very high114 Ų11477.8 Ų77.859%0.58539%0.388SS*.EExtended strand (participates in β ladder)trans-115.9120.2170.9-61.1168.7000106.8Q227 L228 L229I168-Q227 HydrophobicContact CG2-CG 4.39Å; I168-L228 CarbonylContact C-O 3.54Å; I168-L228 WeakPolarHBondContact CA-O 3.26Å; I168-L229 HydrophobicContact CD1-CD1 4.28Å; I168-L229 HydrophobicContact CG1-CD1 3.56Å
169R94.3Very high93.5Very high71 Ų7172.9 Ų72.927%0.26837%0.373SS..EExtended strand (participates in β ladder)trans-115.6130.6170.7-17268.7172.685.9-1.7108.3F183 A187 E190 Q227 L228R169-F183 HydrophobicContact CB-CE2 4.46Å; R169-F183 HydrophobicContact CB-CZ 4.26Å; R169-F183 HydrophobicContact CG-CE2 3.69Å; R169-F183 HydrophobicContact CG-CZ 3.98Å; R169-F183 WeakPolarHBondContact O-CZ 3.24Å; R169-A187 HydrophobicContact CB-CB 4.07Å; R169-A187 HydrophobicContact CG-CB 3.83Å; R169-E190 WeakPolarHBondContact CD-OE2 3.37Å; R169-E190 IonicContact CZ-OE2 3.83Å; R169-E190 IonicContact NE-OE1 3.76Å; R169-E190 IonicContact NE-OE2 2.83Å; R169-E190 PolarHBondContact NE-OE2 3.34Å; R169-E190 IonicContact NH2-OE1 3.57Å; R169-E190 IonicContact NH2-OE2 3.97Å; R169-Q227 CarbonylContact O-C 3.55Å; R169-Q227 WeakPolarHBondContact O-CA 3.15Å; R169-L228 HydrophobicContact CB-CB 4.46Å; R169-L228 PolarHBondContact N-O 3.39Å; R169-L228 PolarHBondContact O-N 3.35Å
170E94.9Very high92.9Very high136 Ų13668.5 Ų68.564%0.63636%0.359SS*.EExtended strand (participates in β ladder)trans-128.8150175.164.4178.4-162.200111.3A226E170-A226 CarbonylContact C-O 3.57Å; E170-A226 WeakPolarHBondContact CA-O 3.17Å
171T93Very high92.2Very high19 Ų1972 Ų7212%0.11738%0.378CS..EExtended strand (participates in β ladder)trans-141.5144172-175.60000110.4A173 V174 I177 F183 Q225 A226T171-A173 PolarHBondContact OG1-N 3.18Å; T171-V174 HydrophobicContact CG2-CG2 3.63Å; T171-I177 HydrophobicContact CG2-CD1 4.11Å; T171-I177 VanDerWaalsContact OG1-CD1 3.25Å; T171-I177 WeakPolarHBondContact OG1-CD1 3.44Å; T171-F183 HydrophobicContact CG2-CD2 3.32Å; T171-F183 HydrophobicContact CG2-CE2 3.48Å; T171-F183 VanDerWaalsContact CG2-CE2 3.48Å; T171-F183 HydrophobicContact CG2-CG 3.93Å; T171-F183 HydrophobicContact CG2-CZ 4.22Å; T171-Q225 CarbonylContact O-C 2.93Å; T171-Q225 WeakPolarHBondContact O-CA 3.29Å; T171-A226 HydrophobicContact CG2-CB 4.08Å; T171-A226 PolarHBondContact N-O 3.27Å; T171-A226 PolarHBondContact O-N 3.1Å
172G93.7Very high91.5Very high51 Ų5173 Ų7353%0.52638%0.382SS..SBendtrans-103.414.6166.900000113.2N224G172-N224 CarbonylContact C-O 3.6Å; G172-N224 WeakPolarHBondContact CA-O 3.35Å; G172-N224 PolarHBondContact O-ND2 2.81Å; G172-N224 VanDerWaalsContact O-O 3.13Å
173A91.2Very high91.1Very high32 Ų3266.8 Ų66.826%0.26436%0.357SS..  trans-13343.9-172.900000111.8T171 R175 E176 I177 N224T171-A173 PolarHBondContact OG1-N 3.18Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.83Å; A173-E176 WeakPolarHBondContact CA-OE2 3.35Å; A173-E176 HydrophobicContact CB-CB 4.15Å; A173-E176 HydrophobicContact CB-CG 4.37Å; A173-E176 WeakPolarHBondContact CB-OE2 3.36Å; A173-E176 PolarHBondContact O-N 3.02Å; A173-I177 WeakPolarHBondContact O-CD1 3.29Å; A173-I177 VanDerWaalsContact O-CG1 3.29Å; A173-I177 WeakPolarHBondContact O-CG1 3.45Å; A173-I177 PolarHBondContact O-N 3.25Å; A173-I177 VanDerWaalsContact O-N 3.08Å; A173-N224 PolarHBondContact N-O 3.24Å
174V89.1Confident90.6Very high14 Ų1468.2 Ų68.29%0.08537%0.367CS..Hα-helixtrans-58.6-44.2-175.7177.30000111.5T171 E176 I177 G178 G179 V180 N224 Q225 A226T171-V174 HydrophobicContact CG2-CG2 3.63Å; V174-E176 VanDerWaalsContact C-N 3.33Å; V174-E176 PolarHBondContact O-N 2.78Å; V174-I177 PolarHBondContact O-N 2.94Å; V174-G178 PolarHBondContact O-N 2.78Å; V174-G179 WeakPolarHBondContact O-CA 3.48Å; V174-G179 PolarHBondContact O-N 3.01Å; V174-V180 HydrophobicContact CG1-CG2 3.8Å; V174-N224 WeakPolarHBondContact CG2-O 3.45Å; V174-N224 PolarHBondContact N-O 3.29Å; V174-N224 PolarHBondContact N-OD1 3.41Å; V174-Q225 VanDerWaalsContact CG2-C 3.46Å; V174-A226 HydrophobicContact CG2-CB 3.5Å; V174-A226 VanDerWaalsContact CG2-CB 3.5Å
175R89.6Confident90Very high158 Ų15871.2 Ų71.260%0.59638%0.378SS*.Hα-helixtrans-63.7-39.9-179.6-71167.8-164.3-81.7-0.5111.6A173 G178 V221 N224A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.83Å; R175-G178 PolarHBondContact O-N 2.85Å; R175-V221 PolarHBondContact NH2-O 2.87Å; R175-N224 WeakPolarHBondContact CB-OD1 3.39Å; R175-N224 WeakPolarHBondContact CD-OD1 3Å; R175-N224 WeakPolarHBondContact CG-OD1 3.46Å; R175-N224 PolarHBondContact N-OD1 3.3Å
176E91.2Very high89.6Confident134 Ų13469.8 Ų69.863%0.62637%0.373SS*.Hα-helixtrans-71.4-33.1-178-6280.9174.100112.1A173 V174 G178 N224A173-E176 WeakPolarHBondContact CA-OE2 3.35Å; A173-E176 HydrophobicContact CB-CB 4.15Å; A173-E176 HydrophobicContact CB-CG 4.37Å; A173-E176 WeakPolarHBondContact CB-OE2 3.36Å; A173-E176 PolarHBondContact O-N 3.02Å; V174-E176 VanDerWaalsContact C-N 3.33Å; V174-E176 PolarHBondContact O-N 2.78Å; E176-G178 PolarHBondContact O-N 2.87Å; E176-N224 PolarHBondContact OE1-ND2 3.24Å; E176-N224 PolarHBondContact OE2-ND2 3.27Å
177I86.7Confident89.4Confident51 Ų5163.3 Ų63.326%0.26235%0.345SS..Hα-helixtrans-75.7-13.9175.2-64.8163.2000111.4T171 A173 V174 S182 F183 M186T171-I177 HydrophobicContact CG2-CD1 4.11Å; T171-I177 VanDerWaalsContact OG1-CD1 3.25Å; T171-I177 WeakPolarHBondContact OG1-CD1 3.44Å; A173-I177 WeakPolarHBondContact O-CD1 3.29Å; A173-I177 VanDerWaalsContact O-CG1 3.29Å; A173-I177 WeakPolarHBondContact O-CG1 3.45Å; A173-I177 PolarHBondContact O-N 3.25Å; A173-I177 VanDerWaalsContact O-N 3.08Å; V174-I177 PolarHBondContact O-N 2.94Å; I177-S182 WeakPolarHBondContact O-CB 3.32Å; I177-S182 PolarHBondContact O-OG 3.46Å; I177-F183 HydrophobicContact CG2-CB 4.42Å; I177-M186 HydrophobicContact CD1-CE 3.91Å; I177-M186 HydrophobicContact CG1-CE 4.48Å; I177-M186 HydrophobicContact CG2-CE 4.23Å
178G86.3Confident89.1Confident53 Ų5364.5 Ų64.555%0.54635%0.353SS..THydrogen-bonded Turntrans97.326.7-17900000114V174 R175 E176 S182V174-G178 PolarHBondContact O-N 2.78Å; R175-G178 PolarHBondContact O-N 2.85Å; E176-G178 PolarHBondContact O-N 2.87Å; G178-S182 PolarHBondContact O-OG 3.13Å
179G85.8Confident88.7Confident24 Ų2462.6 Ų62.625%0.24735%0.349CS..SBendtrans101.1176175.500000114.2V174 D181 S182 F183V174-G179 WeakPolarHBondContact O-CA 3.48Å; V174-G179 PolarHBondContact O-N 3.01Å; G179-D181 VanDerWaalsContact C-N 3.29Å; G179-D181 PolarHBondContact O-N 3.33Å; G179-S182 PolarHBondContact O-N 3Å; G179-F183 PolarHBondContact O-N 2.75Å; G179-F183 VanDerWaalsContact O-N 3.08Å
180V85.1Confident88.6Confident29 Ų2962.5 Ų62.518%0.17635%0.352CS..Hα-helixtrans-62.2-37-178.4-179.10000111.2V174 S182 F183 V184 L217 D219V174-V180 HydrophobicContact CG1-CG2 3.8Å; V180-S182 PolarHBondContact O-N 3.49Å; V180-F183 WeakPolarHBondContact O-CB 3.39Å; V180-F183 PolarHBondContact O-N 3.41Å; V180-V184 HydrophobicContact CG1-CG2 4.24Å; V180-V184 WeakPolarHBondContact O-CG2 3.21Å; V180-V184 PolarHBondContact O-N 3.32Å; V180-L217 HydrophobicContact CG1-CD1 4.21Å; V180-L217 HydrophobicContact CG1-CD2 4.37Å; V180-D219 HydrophobicContact CG2-CB 3.74Å
181D81.9Confident88.6Confident127 Ų12756.4 Ų56.468%0.67932%0.323SS*.Hα-helixtrans-57.9-49.6176.2-73.3-8.3000112.3G179 F183 V184 Q185G179-D181 VanDerWaalsContact C-N 3.29Å; G179-D181 PolarHBondContact O-N 3.33Å; D181-F183 VanDerWaalsContact C-N 3.32Å; D181-F183 PolarHBondContact O-N 3.09Å; D181-V184 PolarHBondContact O-N 2.9Å; D181-Q185 WeakPolarHBondContact O-CB 3.37Å; D181-Q185 PolarHBondContact O-N 2.79Å
182S84.2Confident88.4Confident41 Ų4157.9 Ų57.929%0.28733%0.329SS..Hα-helixtrans-65.2-38.2178.4-62.70000111.6I177 G178 G179 V180 Q185 M186I177-S182 WeakPolarHBondContact O-CB 3.32Å; I177-S182 PolarHBondContact O-OG 3.46Å; G178-S182 PolarHBondContact O-OG 3.13Å; G179-S182 PolarHBondContact O-N 3Å; V180-S182 PolarHBondContact O-N 3.49Å; S182-Q185 PolarHBondContact O-N 2.83Å; S182-M186 VanDerWaalsContact O-CB 3.3Å; S182-M186 WeakPolarHBondContact O-CB 3.35Å; S182-M186 PolarHBondContact O-N 2.79Å
183F88.7Confident88.3Confident0 Ų058.7 Ų58.70%032%0.324CS..Hα-helixtrans-60.6-49.5173.4165.6-106.4000111.9R169 T171 I177 G179 V180 D181 Q185 M186 A187 A226 L228R169-F183 HydrophobicContact CB-CE2 4.46Å; R169-F183 HydrophobicContact CB-CZ 4.26Å; R169-F183 HydrophobicContact CG-CE2 3.69Å; R169-F183 HydrophobicContact CG-CZ 3.98Å; R169-F183 WeakPolarHBondContact O-CZ 3.24Å; T171-F183 HydrophobicContact CG2-CD2 3.32Å; T171-F183 HydrophobicContact CG2-CE2 3.48Å; T171-F183 VanDerWaalsContact CG2-CE2 3.48Å; T171-F183 HydrophobicContact CG2-CG 3.93Å; T171-F183 HydrophobicContact CG2-CZ 4.22Å; I177-F183 HydrophobicContact CG2-CB 4.42Å; G179-F183 PolarHBondContact O-N 2.75Å; G179-F183 VanDerWaalsContact O-N 3.08Å; V180-F183 WeakPolarHBondContact O-CB 3.39Å; V180-F183 PolarHBondContact O-N 3.41Å; D181-F183 VanDerWaalsContact C-N 3.32Å; D181-F183 PolarHBondContact O-N 3.09Å; F183-Q185 PolarHBondContact O-N 2.81Å; F183-M186 PolarHBondContact O-N 2.76Å; F183-A187 WeakPolarHBondContact O-CB 3.18Å; F183-A187 PolarHBondContact O-N 2.75Å; F183-A226 HydrophobicContact CD1-CB 3.78Å; F183-A226 HydrophobicContact CE1-CB 3.74Å; F183-A226 HydrophobicContact CG-CB 4.37Å; F183-A226 HydrophobicContact CZ-CB 4.29Å; F183-L228 HydrophobicContact CE1-CB 3.87Å; F183-L228 HydrophobicContact CZ-CB 4.1Å
184V87.2Confident88.5Confident35 Ų3560.4 Ų60.421%0.21233%0.329CS..Hα-helixtrans-61.7-46178.1171.20000110.3V180 D181 M186 A187 L188 L217V180-V184 HydrophobicContact CG1-CG2 4.24Å; V180-V184 WeakPolarHBondContact O-CG2 3.21Å; V180-V184 PolarHBondContact O-N 3.32Å; D181-V184 PolarHBondContact O-N 2.9Å; V184-M186 VanDerWaalsContact C-N 3.34Å; V184-M186 PolarHBondContact O-N 3.34Å; V184-A187 PolarHBondContact O-N 3.05Å; V184-L188 HydrophobicContact CG1-CD1 3.83Å; V184-L188 HydrophobicContact CG1-CG 4.19Å; V184-L188 WeakPolarHBondContact O-CB 3.3Å; V184-L188 WeakPolarHBondContact O-CG 3.16Å; V184-L188 PolarHBondContact O-N 2.85Å; V184-L217 HydrophobicContact CG2-CD1 3.93Å; V184-L217 HydrophobicContact CG2-CD2 4.16Å
185Q84.3Confident88.8Confident143 Ų14359.8 Ų59.867%0.66833%0.325SS*.Hα-helixtrans-59.9-44.4178.5-174.1-177-0.600112.2D181 S182 F183 L188 S189D181-Q185 WeakPolarHBondContact O-CB 3.37Å; D181-Q185 PolarHBondContact O-N 2.79Å; S182-Q185 PolarHBondContact O-N 2.83Å; F183-Q185 PolarHBondContact O-N 2.81Å; Q185-L188 PolarHBondContact O-N 3.49Å; Q185-S189 WeakPolarHBondContact O-CB 3.25Å; Q185-S189 PolarHBondContact O-N 3.08Å
186M87.3Confident89Confident63 Ų6355.8 Ų55.831%0.3131%0.309SS..Hα-helixtrans-62.7-48.1177.6-175.4177.365.900111I177 S182 F183 V184 L188 S189 E190I177-M186 HydrophobicContact CD1-CE 3.91Å; I177-M186 HydrophobicContact CG1-CE 4.48Å; I177-M186 HydrophobicContact CG2-CE 4.23Å; S182-M186 VanDerWaalsContact O-CB 3.3Å; S182-M186 WeakPolarHBondContact O-CB 3.35Å; S182-M186 PolarHBondContact O-N 2.79Å; F183-M186 PolarHBondContact O-N 2.76Å; V184-M186 VanDerWaalsContact C-N 3.34Å; V184-M186 PolarHBondContact O-N 3.34Å; M186-L188 PolarHBondContact O-N 3.25Å; M186-S189 WeakPolarHBondContact O-CB 3.26Å; M186-S189 PolarHBondContact O-N 2.91Å; M186-E190 WeakPolarHBondContact O-CG 3.05Å; M186-E190 PolarHBondContact O-N 2.94Å
187A91.6Very high89.2Confident0 Ų051.8 Ų51.80%030%0.296CS..Hα-helixtrans-58.9-46178.100000111.9R169 F183 V184 S189 E190 I191 L228R169-A187 HydrophobicContact CB-CB 4.07Å; R169-A187 HydrophobicContact CG-CB 3.83Å; F183-A187 WeakPolarHBondContact O-CB 3.18Å; F183-A187 PolarHBondContact O-N 2.75Å; V184-A187 PolarHBondContact O-N 3.05Å; A187-S189 VanDerWaalsContact C-N 3.32Å; A187-S189 PolarHBondContact O-N 2.67Å; A187-E190 PolarHBondContact O-N 3.33Å; A187-I191 WeakPolarHBondContact O-CB 3.47Å; A187-I191 WeakPolarHBondContact O-CD1 3.43Å; A187-I191 VanDerWaalsContact O-CG1 3.24Å; A187-I191 WeakPolarHBondContact O-CG1 3.42Å; A187-I191 PolarHBondContact O-N 3.48Å; A187-L228 HydrophobicContact CB-CD2 3.62Å
188L88.5Confident89.7Confident60 Ų6052.8 Ų52.831%0.31430%0.3SS..Hα-helixtrans-61.3-40.7176.9-68.8177.2000111.9V184 Q185 M186 I191 M192 F212V184-L188 HydrophobicContact CG1-CD1 3.83Å; V184-L188 HydrophobicContact CG1-CG 4.19Å; V184-L188 WeakPolarHBondContact O-CB 3.3Å; V184-L188 WeakPolarHBondContact O-CG 3.16Å; V184-L188 PolarHBondContact O-N 2.85Å; Q185-L188 PolarHBondContact O-N 3.49Å; M186-L188 PolarHBondContact O-N 3.25Å; L188-I191 PolarHBondContact O-N 3.5Å; L188-M192 WeakPolarHBondContact O-CB 3.3Å; L188-M192 VanDerWaalsContact O-CG 3.27Å; L188-M192 WeakPolarHBondContact O-CG 3.42Å; L188-M192 PolarHBondContact O-N 2.82Å; L188-F212 HydrophobicContact CD2-CE1 3.72Å; L188-F212 HydrophobicContact CD2-CE2 3.85Å; L188-F212 HydrophobicContact CD2-CZ 3.13Å
189S87.1Confident90.2Very high73 Ų7350.3 Ų50.351%0.5127%0.274SS..Hα-helixtrans-64.5-43.9176.7-1730000112.3Q185 M186 A187 M192 T193Q185-S189 WeakPolarHBondContact O-CB 3.25Å; Q185-S189 PolarHBondContact O-N 3.08Å; M186-S189 WeakPolarHBondContact O-CB 3.26Å; M186-S189 PolarHBondContact O-N 2.91Å; A187-S189 VanDerWaalsContact C-N 3.32Å; A187-S189 PolarHBondContact O-N 2.67Å; S189-M192 PolarHBondContact O-N 3.37Å; S189-T193 WeakPolarHBondContact O-CB 3.34Å; S189-T193 PolarHBondContact O-N 2.98Å; S189-T193 PolarHBondContact O-OG1 3.47Å
190E93.1Very high90.6Very high70 Ų7049.8 Ų49.833%0.32727%0.267SS..Hα-helixtrans-59.5-50.5174.9-71.3169.717900110.6R169 M186 A187 M192 T193 I194R169-E190 WeakPolarHBondContact CD-OE2 3.37Å; R169-E190 IonicContact CZ-OE2 3.83Å; R169-E190 IonicContact NE-OE1 3.76Å; R169-E190 IonicContact NE-OE2 2.83Å; R169-E190 PolarHBondContact NE-OE2 3.34Å; R169-E190 IonicContact NH2-OE1 3.57Å; R169-E190 IonicContact NH2-OE2 3.97Å; M186-E190 WeakPolarHBondContact O-CG 3.05Å; M186-E190 PolarHBondContact O-N 2.94Å; A187-E190 PolarHBondContact O-N 3.33Å; E190-M192 PolarHBondContact O-N 3.04Å; E190-T193 WeakPolarHBondContact O-CB 3.45Å; E190-T193 PolarHBondContact O-N 3.23Å; E190-T193 VanDerWaalsContact O-N 3.09Å; E190-I194 WeakPolarHBondContact O-CG1 3.41Å; E190-I194 PolarHBondContact O-N 3.18Å
191I94.4Very high91.1Very high7 Ų751.4 Ų51.44%0.03628%0.284CS..Hα-helixtrans-59.2-48.3179.3-70.4159000111F167 A187 L188 T193 I194 I195 F212 V230 V232F167-I191 HydrophobicContact CB-CD1 3.99Å; F167-I191 HydrophobicContact CB-CG1 4Å; F167-I191 HydrophobicContact CD1-CG1 4.22Å; F167-I191 HydrophobicContact CD2-CG1 4.23Å; F167-I191 HydrophobicContact CD2-CG2 3.89Å; F167-I191 HydrophobicContact CE2-CG2 3.94Å; F167-I191 HydrophobicContact CG-CD1 4.36Å; F167-I191 HydrophobicContact CG-CG1 3.89Å; F167-I191 HydrophobicContact CG-CG2 4.39Å; F167-I191 HydrophobicContact CZ-CG2 4.49Å; A187-I191 WeakPolarHBondContact O-CB 3.47Å; A187-I191 WeakPolarHBondContact O-CD1 3.43Å; A187-I191 VanDerWaalsContact O-CG1 3.24Å; A187-I191 WeakPolarHBondContact O-CG1 3.42Å; A187-I191 PolarHBondContact O-N 3.48Å; L188-I191 PolarHBondContact O-N 3.5Å; I191-T193 PolarHBondContact O-N 3.38Å; I191-I194 PolarHBondContact O-N 3.11Å; I191-I194 VanDerWaalsContact O-N 3.16Å; I191-I195 HydrophobicContact CG2-CD1 3.59Å; I191-I195 HydrophobicContact CG2-CG1 4.37Å; I191-I195 WeakPolarHBondContact O-CD1 3.46Å; I191-I195 VanDerWaalsContact O-CG1 3.25Å; I191-I195 WeakPolarHBondContact O-CG1 3.3Å; I191-I195 PolarHBondContact O-N 3.37Å; I191-F212 HydrophobicContact CG2-CE2 4.31Å; I191-V230 HydrophobicContact CD1-CG2 3.58Å; I191-V232 HydrophobicContact CG2-CG2 4.08Å
192M89.8Confident91.7Very high50 Ų5048 Ų4825%0.24627%0.27CS..Hα-helixtrans-60.8-33.6177.1-73.3-56.5-59.100112.6V144 L188 S189 E190 I195 R196 F210V144-M192 HydrophobicContact CB-CE 4.09Å; V144-M192 HydrophobicContact CG1-CE 4.12Å; V144-M192 HydrophobicContact CG2-CE 4.12Å; L188-M192 WeakPolarHBondContact O-CB 3.3Å; L188-M192 VanDerWaalsContact O-CG 3.27Å; L188-M192 WeakPolarHBondContact O-CG 3.42Å; L188-M192 PolarHBondContact O-N 2.82Å; S189-M192 PolarHBondContact O-N 3.37Å; E190-M192 PolarHBondContact O-N 3.04Å; M192-I195 HydrophobicContact SD-CD1 4.05Å; M192-R196 WeakPolarHBondContact O-CG 3.45Å; M192-R196 PolarHBondContact O-N 3.32Å; M192-R196 VanDerWaalsContact O-N 3.12Å; M192-R196 PolarHBondContact O-NH1 2.79Å; M192-F210 HydrophobicContact SD-CZ 3.91Å
193T90.9Very high92.2Very high68 Ų6847.7 Ų47.742%0.41727%0.273SS..Hα-helixtrans-69.8-42.1175.9-57.70000111.6S189 E190 I191 R196 S197S189-T193 WeakPolarHBondContact O-CB 3.34Å; S189-T193 PolarHBondContact O-N 2.98Å; S189-T193 PolarHBondContact O-OG1 3.47Å; E190-T193 WeakPolarHBondContact O-CB 3.45Å; E190-T193 PolarHBondContact O-N 3.23Å; E190-T193 VanDerWaalsContact O-N 3.09Å; I191-T193 PolarHBondContact O-N 3.38Å; T193-R196 PolarHBondContact O-N 3.44Å; T193-R196 PolarHBondContact OG1-NH2 2.97Å; T193-S197 PolarHBondContact O-N 3.07Å; T193-S197 PolarHBondContact O-OG 3.06Å
194I95.6Very high92.5Very high69 Ų6947.7 Ų47.735%0.35427%0.273SS..Hα-helixtrans-63-43.2175.7-66.2163.4000111.1F167 E190 I191 S197 H198F167-I194 HydrophobicContact CE1-CB 4.43Å; F167-I194 HydrophobicContact CE1-CD1 4.06Å; F167-I194 HydrophobicContact CE1-CG2 3.91Å; F167-I194 HydrophobicContact CZ-CG2 3.99Å; E190-I194 WeakPolarHBondContact O-CG1 3.41Å; E190-I194 PolarHBondContact O-N 3.18Å; I191-I194 PolarHBondContact O-N 3.11Å; I191-I194 VanDerWaalsContact O-N 3.16Å; I194-S197 WeakPolarHBondContact CA-OG 3.25Å; I194-S197 PolarHBondContact O-N 3.47Å; I194-S197 PolarHBondContact O-OG 2.98Å; I194-H198 WeakPolarHBondContact O-CB 3.43Å; I194-H198 PolarHBondContact O-N 3.45Å
195I95.6Very high92.8Very high0 Ų048 Ų480%027%0.274CS..Hα-helixtrans-60.2-50.3177.8-70158.2000110.4V144 Y163 I191 M192 S197 H198 V199 M207 F210 V232V144-I195 HydrophobicContact CG2-CG2 4.26Å; Y163-I195 HydrophobicContact CE1-CG1 4.06Å; I191-I195 HydrophobicContact CG2-CD1 3.59Å; I191-I195 HydrophobicContact CG2-CG1 4.37Å; I191-I195 WeakPolarHBondContact O-CD1 3.46Å; I191-I195 VanDerWaalsContact O-CG1 3.25Å; I191-I195 WeakPolarHBondContact O-CG1 3.3Å; I191-I195 PolarHBondContact O-N 3.37Å; M192-I195 HydrophobicContact SD-CD1 4.05Å; I195-S197 VanDerWaalsContact C-N 3.31Å; I195-S197 PolarHBondContact O-N 3.44Å; I195-H198 WeakPolarHBondContact O-CB 3.4Å; I195-H198 PolarHBondContact O-N 3.31Å; I195-V199 WeakPolarHBondContact O-CG2 3.46Å; I195-V199 PolarHBondContact O-N 3.23Å; I195-M207 HydrophobicContact CG2-CE 3.21Å; I195-M207 HydrophobicContact CG2-SD 3.99Å; I195-F210 HydrophobicContact CD1-CE2 4.05Å; I195-V232 HydrophobicContact CD1-CB 4.44Å; I195-V232 HydrophobicContact CD1-CG1 3.67Å; I195-V232 HydrophobicContact CD1-CG2 4.27Å; I195-V232 HydrophobicContact CG1-CG1 4.2Å
196R94.3Very high93.3Very high74 Ų7441.2 Ų41.228%0.27924%0.242SC..Hα-helixtrans-61.7-39.5179.3-73.5-168.9-57.9-86.2-4.5112.1V142 V144 M192 T193 V199 A200V142-R196 HydrophobicContact CB-CB 4.21Å; V142-R196 HydrophobicContact CB-CG 4.17Å; V142-R196 HydrophobicContact CG1-CB 4.31Å; V142-R196 HydrophobicContact CG1-CG 4.13Å; V144-R196 HydrophobicContact CG2-CG 4.2Å; M192-R196 WeakPolarHBondContact O-CG 3.45Å; M192-R196 PolarHBondContact O-N 3.32Å; M192-R196 VanDerWaalsContact O-N 3.12Å; M192-R196 PolarHBondContact O-NH1 2.79Å; T193-R196 PolarHBondContact O-N 3.44Å; T193-R196 PolarHBondContact OG1-NH2 2.97Å; R196-V199 PolarHBondContact O-N 2.87Å; R196-A200 PolarHBondContact O-N 3.39Å
197S95.6Very high93.7Very high50 Ų5038.2 Ų38.235%0.3523%0.227SC..Hα-helixtrans-67.6-36.3176.568.50000112.2T193 I194 I195 A200 A201T193-S197 PolarHBondContact O-N 3.07Å; T193-S197 PolarHBondContact O-OG 3.06Å; I194-S197 WeakPolarHBondContact CA-OG 3.25Å; I194-S197 PolarHBondContact O-N 3.47Å; I194-S197 PolarHBondContact O-OG 2.98Å; I195-S197 VanDerWaalsContact C-N 3.31Å; I195-S197 PolarHBondContact O-N 3.44Å; S197-A200 PolarHBondContact O-N 2.86Å; S197-A201 WeakPolarHBondContact O-CB 3.2Å; S197-A201 PolarHBondContact O-N 2.97Å
198H95.7Very high93.8Very high73 Ų7338.4 Ų38.434%0.33823%0.228SC..Hα-helixtrans-64.1-43.3174.6-109.7-91.7000112.8Y163 I194 I195 A201 S202Y163-H198 HydrophobicContact CD2-CB 4.37Å; Y163-H198 HydrophobicContact CE2-CB 3.68Å; Y163-H198 AromaticContact CE2-CG 3.71Å; Y163-H198 AromaticContact CE2-ND1 3.87Å; I194-H198 WeakPolarHBondContact O-CB 3.43Å; I194-H198 PolarHBondContact O-N 3.45Å; I195-H198 WeakPolarHBondContact O-CB 3.4Å; I195-H198 PolarHBondContact O-N 3.31Å; H198-A201 PolarHBondContact O-N 3.18Å; H198-S202 WeakPolarHBondContact O-CB 3.21Å; H198-S202 PolarHBondContact O-N 3.19Å; H198-S202 PolarHBondContact O-OG 2.68Å
199V96.9Very high93.9Very high0 Ų036.6 Ų36.60%022%0.221CC..Hα-helixtrans-60.6-50.4175.6169.40000110.2V142 I195 R196 A201 S202 G203 G204 M207 I236V142-V199 HydrophobicContact CB-CG1 4.43Å; V142-V199 HydrophobicContact CG1-CB 3.7Å; V142-V199 HydrophobicContact CG1-CG1 3.39Å; V142-V199 HydrophobicContact CG1-CG2 4.23Å; V142-V199 HydrophobicContact CG2-CG1 4.15Å; I195-V199 WeakPolarHBondContact O-CG2 3.46Å; I195-V199 PolarHBondContact O-N 3.23Å; R196-V199 PolarHBondContact O-N 2.87Å; V199-A201 PolarHBondContact O-N 3.1Å; V199-S202 WeakPolarHBondContact O-CB 3.35Å; V199-S202 PolarHBondContact O-N 3.01Å; V199-S202 VanDerWaalsContact O-N 3.15Å; V199-G203 PolarHBondContact O-N 3.42Å; V199-G204 WeakPolarHBondContact O-CA 3.21Å; V199-G204 PolarHBondContact O-N 3.25Å; V199-M207 HydrophobicContact CG2-CB 3.95Å; V199-I236 HydrophobicContact CB-CG2 4.34Å; V199-I236 HydrophobicContact CG1-CG2 4.02Å; V199-I236 HydrophobicContact CG2-CD1 4.4Å; V199-I236 HydrophobicContact CG2-CG1 4.23Å; V199-I236 HydrophobicContact CG2-CG2 4.26Å
200A95.4Very high94.2Very high13 Ų1334.3 Ų34.311%0.10720%0.201CC..Hα-helixtrans-60.5-44.4177.700000112.3V137 V142 R196 S197 S202 G203V137-A200 HydrophobicContact CB-CB 4.5Å; V142-A200 HydrophobicContact CG2-CB 4.02Å; R196-A200 PolarHBondContact O-N 3.39Å; S197-A200 PolarHBondContact O-N 2.86Å; A200-S202 PolarHBondContact O-N 3.12Å; A200-G203 WeakPolarHBondContact O-CA 3.46Å; A200-G203 PolarHBondContact O-N 3.44Å
201A95.8Very high93.9Very high63 Ų6337.4 Ų37.452%0.52121%0.214SC..Hα-helixtrans-64.1-27.9177.800000112.9Q134 S197 H198 V199 G203Q134-A201 PolarHBondContact NE2-O 3.18Å; S197-A201 WeakPolarHBondContact O-CB 3.2Å; S197-A201 PolarHBondContact O-N 2.97Å; H198-A201 PolarHBondContact O-N 3.18Å; V199-A201 PolarHBondContact O-N 3.1Å; A201-G203 PolarHBondContact O-N 3.17Å
202S94.7Very high93.5Very high57 Ų5740.2 Ų40.240%0.39923%0.226SC..THydrogen-bonded Turntrans-78.3-3.9173.5-54.50000113H198 V199 A200 G204H198-S202 WeakPolarHBondContact O-CB 3.21Å; H198-S202 PolarHBondContact O-N 3.19Å; H198-S202 PolarHBondContact O-OG 2.68Å; V199-S202 WeakPolarHBondContact O-CB 3.35Å; V199-S202 PolarHBondContact O-N 3.01Å; V199-S202 VanDerWaalsContact O-N 3.15Å; A200-S202 PolarHBondContact O-N 3.12Å; S202-G204 VanDerWaalsContact C-N 3.35Å
203G94.2Very high93.3Very high34 Ų3442.3 Ų42.335%0.35124%0.238SC..THydrogen-bonded Turntrans81.612.3-174.100000114V199 A200 A201 T238V199-G203 PolarHBondContact O-N 3.42Å; A200-G203 WeakPolarHBondContact O-CA 3.46Å; A200-G203 PolarHBondContact O-N 3.44Å; A201-G203 PolarHBondContact O-N 3.17Å; G203-T238 PolarHBondContact O-OG1 3.3Å
204G95.5Very high92.9Very high0 Ų041.9 Ų41.90%024%0.235CC..  trans-87.6152.8177.200000111.9V199 S202 V237V199-G204 WeakPolarHBondContact O-CA 3.21Å; V199-G204 PolarHBondContact O-N 3.25Å; S202-G204 VanDerWaalsContact C-N 3.35Å; G204-V237 WeakPolarHBondContact CA-O 3.02Å
205N93.6Very high92.2Very high42 Ų4241.7 Ų41.723%0.22524%0.24CC..SBendtrans-109.94.6168.268-14.2000112.1V137 V142 F143 V237 T238 T239V137-N205 HydrophobicContact CG1-CB 4.38Å; V142-N205 WeakPolarHBondContact CA-O 3.42Å; F143-N205 WeakPolarHBondContact CD1-O 3.3Å; F143-N205 WeakPolarHBondContact CE1-O 3.06Å; F143-N205 PolarHBondContact N-O 3.27Å; N205-V237 PolarHBondContact N-O 3.42Å; N205-V237 PolarHBondContact OD1-O 3.21Å; N205-T238 WeakPolarHBondContact OD1-CA 3.48Å; N205-T239 PolarHBondContact ND2-O 3.44Å; N205-T239 VanDerWaalsContact ND2-O 3.09Å; N205-T239 PolarHBondContact ND2-OG1 3.44Å; N205-T239 PolarHBondContact OD1-N 2.98Å; N205-T239 PolarHBondContact OD1-OG1 3.25Å; N205-T239 VanDerWaalsContact OD1-OG1 3.09Å
206G94.4Very high91.4Very high0 Ų046.2 Ų46.20%026%0.261CS..EExtended strand (participates in β ladder)trans-165.4163.8175.300000115.4F143 V237F143-G206 CarbonylContact O-C 3.48Å; F143-G206 VanDerWaalsContact O-CA 3.22Å; F143-G206 WeakPolarHBondContact O-CA 3.36Å; G206-V237 PolarHBondContact N-O 2.85Å; G206-V237 PolarHBondContact O-N 2.83Å
207M95.2Very high90.9Very high0 Ų044.8 Ų44.80%026%0.259CS..EExtended strand (participates in β ladder)trans-126.5124.2170.3-173.2172.262.300109.8F143 V144 T145 Y163 I195 V199 F210 D235F143-M207 PolarHBondContact O-N 3Å; V144-M207 WeakPolarHBondContact CA-O 3.28Å; V144-M207 HydrophobicContact CB-CE 4.38Å; V144-M207 HydrophobicContact CG1-CE 3.46Å; V144-M207 VanDerWaalsContact CG1-CE 3.46Å; V144-M207 HydrophobicContact CG2-CB 4.44Å; V144-M207 HydrophobicContact CG2-CE 4.08Å; T145-M207 PolarHBondContact N-O 2.78Å; Y163-M207 HydrophobicContact CD1-SD 4.41Å; Y163-M207 HydrophobicContact CG-SD 4.42Å; I195-M207 HydrophobicContact CG2-CE 3.21Å; I195-M207 HydrophobicContact CG2-SD 3.99Å; V199-M207 HydrophobicContact CG2-CB 3.95Å; M207-F210 HydrophobicContact CE-CB 4.26Å; M207-F210 HydrophobicContact CE-CD2 3.19Å; M207-F210 HydrophobicContact CE-CE2 3.74Å; M207-F210 HydrophobicContact CE-CG 4.06Å; M207-F210 HydrophobicContact SD-CD2 4.46Å; M207-D235 VanDerWaalsContact CA-O 3.3Å; M207-D235 WeakPolarHBondContact CA-O 3.29Å
208V92.7Very high90.2Very high4 Ų444.3 Ų44.32%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-105.6170.2176-620000110.2F143 T145 L147 P150 I156 F210 D235 V237F143-V208 HydrophobicContact CE2-CG1 3.91Å; F143-V208 HydrophobicContact CZ-CG1 4.41Å; T145-V208 HydrophobicContact CG2-CB 4.27Å; T145-V208 HydrophobicContact CG2-CG1 3.85Å; T145-V208 CarbonylContact O-C 3.56Å; T145-V208 WeakPolarHBondContact O-CA 3.49Å; L147-V208 WeakPolarHBondContact O-CB 3.43Å; P150-V208 HydrophobicContact CB-CG1 4.39Å; I156-V208 HydrophobicContact CD1-CG2 4.39Å; V208-F210 PolarHBondContact O-N 3.4Å; V208-F210 VanDerWaalsContact O-N 3.09Å; V208-D235 HydrophobicContact CG2-CB 3.77Å; V208-D235 PolarHBondContact N-O 3.38Å; V208-D235 PolarHBondContact O-N 2.85Å; V208-V237 HydrophobicContact CG1-CG2 4.07Å; V208-V237 HydrophobicContact CG2-CG1 4.09Å; V208-V237 HydrophobicContact CG2-CG2 4.42Å
209S92.4Very high89.3Confident21 Ų2143.6 Ų43.615%0.14725%0.254CS..EExtended strand (participates in β ladder)trans54.729.5-179.9-52.90000113.5T145 L147 K211 D235T145-S209 PolarHBondContact O-N 3.1Å; L147-S209 PolarHBondContact O-N 2.81Å; S209-K211 PolarHBondContact O-N 3.06Å; S209-D235 PolarHBondContact OG-OD2 3.12Å
210F91.5Very high88.3Confident25 Ų2544.9 Ų44.911%0.1126%0.263CS..EExtended strand (participates in β ladder)trans-59129-177.9176.2-112.3000111.9V144 T145 M192 I195 M207 V208 F212 V232 S233V144-F210 HydrophobicContact CG1-CB 3.85Å; V144-F210 HydrophobicContact CG1-CD1 4.04Å; V144-F210 HydrophobicContact CG1-CD2 3.78Å; V144-F210 HydrophobicContact CG1-CE1 4.49Å; V144-F210 HydrophobicContact CG1-CE2 4.19Å; V144-F210 HydrophobicContact CG1-CG 3.62Å; T145-F210 VanDerWaalsContact O-CB 3.25Å; T145-F210 WeakPolarHBondContact O-CB 3.47Å; T145-F210 PolarHBondContact O-N 3.31Å; M192-F210 HydrophobicContact SD-CZ 3.91Å; I195-F210 HydrophobicContact CD1-CE2 4.05Å; M207-F210 HydrophobicContact CE-CB 4.26Å; M207-F210 HydrophobicContact CE-CD2 3.19Å; M207-F210 HydrophobicContact CE-CE2 3.74Å; M207-F210 HydrophobicContact CE-CG 4.06Å; M207-F210 HydrophobicContact SD-CD2 4.46Å; V208-F210 PolarHBondContact O-N 3.4Å; V208-F210 VanDerWaalsContact O-N 3.09Å; F210-F212 HydrophobicContact CE1-CB 3.79Å; F210-F212 HydrophobicContact CZ-CB 3.82Å; F210-F212 AromaticContact CZ-CD2 3.96Å; F210-F212 HydrophobicContact CZ-CD2 3.96Å; F210-F212 HydrophobicContact CZ-CG 4.32Å; F210-V232 HydrophobicContact CD2-CG1 4.1Å; F210-V232 HydrophobicContact CE2-CG1 3.46Å; F210-V232 VanDerWaalsContact CE2-CG1 3.46Å; F210-V232 HydrophobicContact CZ-CG1 4.37Å; F210-S233 CarbonylContact C-O 3.59Å; F210-S233 WeakPolarHBondContact CA-O 3.06Å
211K88.1Confident87Confident136 Ų13648.8 Ų48.859%0.59129%0.286SS*.EExtended strand (participates in β ladder)trans-125.5137172.7-55.2174.9-172.5167.30108.9S209 V232 S233S209-K211 PolarHBondContact O-N 3.06Å; K211-V232 WeakPolarHBondContact O-CA 2.93Å; K211-S233 WeakPolarHBondContact CB-OG 3.34Å; K211-S233 PolarHBondContact N-O 3.47Å; K211-S233 PolarHBondContact O-N 3.22Å
212F86.4Confident86.1Confident66 Ų6649.5 Ų49.529%0.28930%0.3SS..EExtended strand (participates in β ladder)trans-132.9124178.5-173.7-86.5000108.4L188 I191 F210 V214 V230 V232L188-F212 HydrophobicContact CD2-CE1 3.72Å; L188-F212 HydrophobicContact CD2-CE2 3.85Å; L188-F212 HydrophobicContact CD2-CZ 3.13Å; I191-F212 HydrophobicContact CG2-CE2 4.31Å; F210-F212 HydrophobicContact CE1-CB 3.79Å; F210-F212 HydrophobicContact CZ-CB 3.82Å; F210-F212 AromaticContact CZ-CD2 3.96Å; F210-F212 HydrophobicContact CZ-CD2 3.96Å; F210-F212 HydrophobicContact CZ-CG 4.32Å; F212-V214 HydrophobicContact CD1-CG2 4.38Å; F212-V214 HydrophobicContact CE1-CG2 3.64Å; F212-V230 HydrophobicContact CE1-CB 4.39Å; F212-V230 HydrophobicContact CE1-CG1 4.08Å; F212-V230 HydrophobicContact CE2-CB 4.17Å; F212-V230 HydrophobicContact CE2-CG1 4.44Å; F212-V230 HydrophobicContact CE2-CG2 3.92Å; F212-V230 HydrophobicContact CZ-CB 3.8Å; F212-V230 HydrophobicContact CZ-CG1 3.61Å; F212-V230 HydrophobicContact CZ-CG2 3.9Å; F212-V232 HydrophobicContact CD2-CG2 3.64Å; F212-V232 HydrophobicContact CE2-CG2 3.86Å
213N84.5Confident85.6Confident94 Ų9455 Ų5550%0.50331%0.312SS..EExtended strand (participates in β ladder)trans-133124.7179.9-176.3-13.9000110.2S215 V230 S231N213-S215 PolarHBondContact O-N 3.24Å; N213-V230 CarbonylContact O-C 3.39Å; N213-V230 VanDerWaalsContact O-CA 3.24Å; N213-V230 WeakPolarHBondContact O-CA 3.41Å; N213-V230 WeakPolarHBondContact O-CB 3.08Å; N213-S231 WeakPolarHBondContact CB-OG 3.4Å; N213-S231 PolarHBondContact N-O 2.59Å; N213-S231 PolarHBondContact O-N 2.83Å
214V83.5Confident85.3Confident58 Ų5854.6 Ų54.635%0.35230%0.301SS..EExtended strand (participates in β ladder)trans-83.7106.4172.3-177.30000108F212 L217 L228 V230F212-V214 HydrophobicContact CD1-CG2 4.38Å; F212-V214 HydrophobicContact CE1-CG2 3.64Å; V214-L217 HydrophobicContact CG1-CB 4.49Å; V214-L228 HydrophobicContact CG1-CD1 3.86Å; V214-V230 HydrophobicContact CB-CG1 4.4Å; V214-V230 HydrophobicContact CG1-CG1 4.45Å; V214-V230 HydrophobicContact CG2-CG1 4.07Å
215S79.4Confident85.1Confident66 Ų6658.8 Ų58.846%0.46232%0.321SS..EExtended strand (participates in β ladder)trans-80.7-40-179.7-550000111.7N213 L229N213-S215 PolarHBondContact O-N 3.24Å; S215-L229 PolarHBondContact N-O 2.96Å
216E80.7Confident85Confident95 Ų9557 Ų5744%0.44431%0.312SS..EExtended strand (participates in β ladder)trans-149.2134.9179.6-169.1177.3160.500110.1S218 L228 L229E216-S218 PolarHBondContact OE1-OG 3.32Å; E216-L228 WeakPolarHBondContact O-CA 3.47Å; E216-L229 HydrophobicContact CB-CB 4.08Å; E216-L229 PolarHBondContact N-O 3.24Å; E216-L229 PolarHBondContact O-N 3.47Å
217L83.8Confident84.9Confident43 Ų4360.4 Ų60.423%0.22533%0.328CS..EExtended strand (participates in β ladder)trans-126.6109.3162.3173.462.3000105.6V180 V184 V214 Q227 L228V180-L217 HydrophobicContact CG1-CD1 4.21Å; V180-L217 HydrophobicContact CG1-CD2 4.37Å; V184-L217 HydrophobicContact CG2-CD1 3.93Å; V184-L217 HydrophobicContact CG2-CD2 4.16Å; V214-L217 HydrophobicContact CG1-CB 4.49Å; L217-Q227 WeakPolarHBondContact CA-O 3.41Å; L217-L228 HydrophobicContact CB-CD1 4.37Å; L217-L228 HydrophobicContact CD1-CD1 4.18Å
218S80.9Confident84.7Confident41 Ų4160.7 Ų60.729%0.28733%0.329SS..EExtended strand (participates in β ladder)trans-117.2126.6175.954.80000109.2E216 A226 Q227E216-S218 PolarHBondContact OE1-OG 3.32Å; S218-A226 CarbonylContact O-C 3.58Å; S218-A226 VanDerWaalsContact O-CA 3.29Å; S218-A226 WeakPolarHBondContact O-CA 3.48Å; S218-Q227 PolarHBondContact N-O 2.98Å; S218-Q227 PolarHBondContact O-N 3.49Å
219D75.8Confident84.7Confident57 Ų5762.5 Ų62.531%0.30534%0.339SS..EExtended strand (participates in β ladder)trans-125.2146.917273.3-65.6000110.4V180 Q225 A226V180-D219 HydrophobicContact CG2-CB 3.74Å; D219-Q225 WeakPolarHBondContact CA-O 3.15Å; D219-A226 HydrophobicContact CB-CB 4.09Å
220S75.7Confident84.7Confident27 Ų2761.5 Ų61.519%0.18933%0.332CS..EExtended strand (participates in β ladder)trans-12993.1171.646.70000107.9G222 R223 N224 Q225S220-G222 PolarHBondContact O-N 2.78Å; S220-G222 VanDerWaalsContact O-N 3.15Å; S220-R223 CarbonylContact O-C 3.53Å; S220-R223 PolarHBondContact O-N 3.35Å; S220-R223 PolarHBondContact OG-NE 2.83Å; S220-R223 PolarHBondContact OG-NH2 3.19Å; S220-N224 PolarHBondContact O-N 3.37Å; S220-Q225 PolarHBondContact N-O 3.42Å; S220-Q225 PolarHBondContact O-N 3.08Å
221V68.5Low84.7Confident95 Ų9561.4 Ų61.458%0.57633%0.334SS*.G310 helixtrans-49.8-41.5178.7-179.20000110.9R175 R223 N224R175-V221 PolarHBondContact NH2-O 2.87Å; V221-R223 VanDerWaalsContact C-N 3.31Å; V221-R223 PolarHBondContact O-N 3.07Å; V221-N224 PolarHBondContact O-N 3.15Å
222G76Confident85Confident79 Ų7955 Ų5581%0.81431%0.306SS*.G310 helixtrans-63.8-29.6177.600000114.7S220S220-G222 PolarHBondContact O-N 2.78Å; S220-G222 VanDerWaalsContact O-N 3.15Å
223R83.8Confident85.4Confident173 Ų17352.4 Ų52.465%0.65330%0.296SS*.G310 helixtrans-100.11.4180-61.6-171.8-66.8-169.1-2.2113.8S220 V221 Q225S220-R223 CarbonylContact O-C 3.53Å; S220-R223 PolarHBondContact O-N 3.35Å; S220-R223 PolarHBondContact OG-NE 2.83Å; S220-R223 PolarHBondContact OG-NH2 3.19Å; V221-R223 VanDerWaalsContact C-N 3.31Å; V221-R223 PolarHBondContact O-N 3.07Å; R223-Q225 HydrophobicContact CB-CB 4.26Å; R223-Q225 HydrophobicContact CB-CG 4.3Å; R223-Q225 WeakPolarHBondContact O-CG 3.4Å; R223-Q225 PolarHBondContact O-N 3.5Å
224N89.4Confident85.9Confident25 Ų2548 Ų4813%0.13427%0.273CS..THydrogen-bonded Turntrans56.629.3-174.5-161.330.3000113.1G172 A173 V174 R175 E176 S220 V221G172-N224 CarbonylContact C-O 3.6Å; G172-N224 WeakPolarHBondContact CA-O 3.35Å; G172-N224 PolarHBondContact O-ND2 2.81Å; G172-N224 VanDerWaalsContact O-O 3.13Å; A173-N224 PolarHBondContact N-O 3.24Å; V174-N224 WeakPolarHBondContact CG2-O 3.45Å; V174-N224 PolarHBondContact N-O 3.29Å; V174-N224 PolarHBondContact N-OD1 3.41Å; R175-N224 WeakPolarHBondContact CB-OD1 3.39Å; R175-N224 WeakPolarHBondContact CD-OD1 3Å; R175-N224 WeakPolarHBondContact CG-OD1 3.46Å; R175-N224 PolarHBondContact N-OD1 3.3Å; E176-N224 PolarHBondContact OE1-ND2 3.24Å; E176-N224 PolarHBondContact OE2-ND2 3.27Å; S220-N224 PolarHBondContact O-N 3.37Å; V221-N224 PolarHBondContact O-N 3.15Å
225Q91.6Very high86.6Confident88 Ų8847.1 Ų47.141%0.41127%0.266SS..EExtended strand (participates in β ladder)trans-119.8141.2-172-78.8170-2.200111.7T171 V174 D219 S220 R223T171-Q225 CarbonylContact O-C 2.93Å; T171-Q225 WeakPolarHBondContact O-CA 3.29Å; V174-Q225 VanDerWaalsContact CG2-C 3.46Å; D219-Q225 WeakPolarHBondContact CA-O 3.15Å; S220-Q225 PolarHBondContact N-O 3.42Å; S220-Q225 PolarHBondContact O-N 3.08Å; R223-Q225 HydrophobicContact CB-CB 4.26Å; R223-Q225 HydrophobicContact CB-CG 4.3Å; R223-Q225 WeakPolarHBondContact O-CG 3.4Å; R223-Q225 PolarHBondContact O-N 3.5Å
226A90.5Very high87.5Confident4 Ų444.5 Ų44.53%0.03325%0.247CC..EExtended strand (participates in β ladder)trans-141.1148.3170.100000111.1E170 T171 V174 F183 S218 D219E170-A226 CarbonylContact C-O 3.57Å; E170-A226 WeakPolarHBondContact CA-O 3.17Å; T171-A226 HydrophobicContact CG2-CB 4.08Å; T171-A226 PolarHBondContact N-O 3.27Å; T171-A226 PolarHBondContact O-N 3.1Å; V174-A226 HydrophobicContact CG2-CB 3.5Å; V174-A226 VanDerWaalsContact CG2-CB 3.5Å; F183-A226 HydrophobicContact CD1-CB 3.78Å; F183-A226 HydrophobicContact CE1-CB 3.74Å; F183-A226 HydrophobicContact CG-CB 4.37Å; F183-A226 HydrophobicContact CZ-CB 4.29Å; S218-A226 CarbonylContact O-C 3.58Å; S218-A226 VanDerWaalsContact O-CA 3.29Å; S218-A226 WeakPolarHBondContact O-CA 3.48Å; D219-A226 HydrophobicContact CB-CB 4.09Å
227Q92.5Very high88.2Confident72 Ų7240 Ų4034%0.33623%0.226SC..EExtended strand (participates in β ladder)trans-134.3136.4177.8-176.1179.324.800109.4I168 R169 L217 S218I168-Q227 HydrophobicContact CG2-CG 4.39Å; R169-Q227 CarbonylContact O-C 3.55Å; R169-Q227 WeakPolarHBondContact O-CA 3.15Å; L217-Q227 WeakPolarHBondContact CA-O 3.41Å; S218-Q227 PolarHBondContact N-O 2.98Å; S218-Q227 PolarHBondContact O-N 3.49Å
228L91.8Very high88.8Confident5 Ų539.3 Ų39.33%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-126121.7176.7178.270.5000108.5I168 R169 F183 A187 V214 E216 L217 V230I168-L228 CarbonylContact C-O 3.54Å; I168-L228 WeakPolarHBondContact CA-O 3.26Å; R169-L228 HydrophobicContact CB-CB 4.46Å; R169-L228 PolarHBondContact N-O 3.39Å; R169-L228 PolarHBondContact O-N 3.35Å; F183-L228 HydrophobicContact CE1-CB 3.87Å; F183-L228 HydrophobicContact CZ-CB 4.1Å; A187-L228 HydrophobicContact CB-CD2 3.62Å; V214-L228 HydrophobicContact CG1-CD1 3.86Å; E216-L228 WeakPolarHBondContact O-CA 3.47Å; L217-L228 HydrophobicContact CB-CD1 4.37Å; L217-L228 HydrophobicContact CD1-CD1 4.18Å; L228-V230 HydrophobicContact CD1-CG1 3.84Å; L228-V230 HydrophobicContact CD2-CG1 4.1Å; L228-V230 HydrophobicContact CG-CG1 3.8Å
229L92.7Very high89.3Confident43 Ų4338.1 Ų38.123%0.22522%0.215CC..EExtended strand (participates in β ladder)trans-111.5121.7169.617265.8000109F166 F167 I168 S215 E216F166-L229 HydrophobicContact CD1-CD1 4.47Å; F167-L229 WeakPolarHBondContact O-CA 3.19Å; I168-L229 HydrophobicContact CD1-CD1 4.28Å; I168-L229 HydrophobicContact CG1-CD1 3.56Å; S215-L229 PolarHBondContact N-O 2.96Å; E216-L229 HydrophobicContact CB-CB 4.08Å; E216-L229 PolarHBondContact N-O 3.24Å; E216-L229 PolarHBondContact O-N 3.47Å
230V91.6Very high90Very high0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-129.3152174.6-53.60000111.9F166 F167 I191 F212 N213 V214 L228 V232F166-V230 CarbonylContact C-O 3.56Å; F166-V230 WeakPolarHBondContact CA-O 3.39Å; F167-V230 HydrophobicContact CB-CG2 3.84Å; F167-V230 HydrophobicContact CD2-CG2 4.31Å; F167-V230 PolarHBondContact N-O 2.66Å; F167-V230 PolarHBondContact O-N 3.45Å; I191-V230 HydrophobicContact CD1-CG2 3.58Å; F212-V230 HydrophobicContact CE1-CB 4.39Å; F212-V230 HydrophobicContact CE1-CG1 4.08Å; F212-V230 HydrophobicContact CE2-CB 4.17Å; F212-V230 HydrophobicContact CE2-CG1 4.44Å; F212-V230 HydrophobicContact CE2-CG2 3.92Å; F212-V230 HydrophobicContact CZ-CB 3.8Å; F212-V230 HydrophobicContact CZ-CG1 3.61Å; F212-V230 HydrophobicContact CZ-CG2 3.9Å; N213-V230 CarbonylContact O-C 3.39Å; N213-V230 VanDerWaalsContact O-CA 3.24Å; N213-V230 WeakPolarHBondContact O-CA 3.41Å; N213-V230 WeakPolarHBondContact O-CB 3.08Å; V214-V230 HydrophobicContact CB-CG1 4.4Å; V214-V230 HydrophobicContact CG1-CG1 4.45Å; V214-V230 HydrophobicContact CG2-CG1 4.07Å; L228-V230 HydrophobicContact CD1-CG1 3.84Å; L228-V230 HydrophobicContact CD2-CG1 4.1Å; L228-V230 HydrophobicContact CG-CG1 3.8Å; V230-V232 HydrophobicContact CG2-CG2 4.38Å
231S91.8Very high90.3Very high23 Ų2340.2 Ų40.216%0.16123%0.232CC..EExtended strand (participates in β ladder)trans-111.2139.6167.955.40000109.9N213N213-S231 WeakPolarHBondContact CB-OG 3.4Å; N213-S231 PolarHBondContact N-O 2.59Å; N213-S231 PolarHBondContact O-N 2.83Å
232V93.3Very high90.6Very high1 Ų138.7 Ų38.71%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-132.6129.4-179.4179.20000109.1Y163 D164 F165 F167 I191 I195 F210 K211 F212 V230Y163-V232 HydrophobicContact CD1-CG1 4.23Å; Y163-V232 HydrophobicContact CE1-CB 4.36Å; Y163-V232 HydrophobicContact CE1-CG1 3.98Å; D164-V232 WeakPolarHBondContact CA-O 3.42Å; F165-V232 PolarHBondContact N-O 2.82Å; F165-V232 PolarHBondContact O-N 2.9Å; F167-V232 HydrophobicContact CD2-CB 4.49Å; F167-V232 HydrophobicContact CD2-CG2 3.99Å; F167-V232 HydrophobicContact CE2-CB 4.19Å; F167-V232 HydrophobicContact CE2-CG2 4.05Å; I191-V232 HydrophobicContact CG2-CG2 4.08Å; I195-V232 HydrophobicContact CD1-CB 4.44Å; I195-V232 HydrophobicContact CD1-CG1 3.67Å; I195-V232 HydrophobicContact CD1-CG2 4.27Å; I195-V232 HydrophobicContact CG1-CG1 4.2Å; F210-V232 HydrophobicContact CD2-CG1 4.1Å; F210-V232 HydrophobicContact CE2-CG1 3.46Å; F210-V232 VanDerWaalsContact CE2-CG1 3.46Å; F210-V232 HydrophobicContact CZ-CG1 4.37Å; K211-V232 WeakPolarHBondContact O-CA 2.93Å; F212-V232 HydrophobicContact CD2-CG2 3.64Å; F212-V232 HydrophobicContact CE2-CG2 3.86Å; V230-V232 HydrophobicContact CG2-CG2 4.38Å
233S95.2Very high90.1Very high12 Ų1239.7 Ų39.78%0.08422%0.22CC..EExtended strand (participates in β ladder)trans-137157.7172.969.30000112.9Y162 Y163 F210 K211Y162-S233 VanDerWaalsContact OH-CB 3.27Å; Y162-S233 WeakPolarHBondContact OH-CB 3.21Å; Y163-S233 CarbonylContact O-C 3.54Å; Y163-S233 WeakPolarHBondContact O-CA 3.23Å; Y163-S233 WeakPolarHBondContact O-CB 3.3Å; F210-S233 CarbonylContact C-O 3.59Å; F210-S233 WeakPolarHBondContact CA-O 3.06Å; K211-S233 WeakPolarHBondContact CB-OG 3.34Å; K211-S233 PolarHBondContact N-O 3.47Å; K211-S233 PolarHBondContact O-N 3.22Å
234G96Very high88.2Confident1 Ų142.7 Ų42.71%0.0125%0.249CC..EExtended strand (participates in β ladder)trans176.2175.8174.500000112.5Y162 Y163Y162-G234 WeakPolarHBondContact CD2-O 3.38Å; Y163-G234 WeakPolarHBondContact CB-O 3.44Å; Y163-G234 PolarHBondContact N-O 2.79Å; Y163-G234 PolarHBondContact O-N 3.45Å
235D97.3Very high88.2Confident40 Ų4043.6 Ų43.621%0.21426%0.255CS..EExtended strand (participates in β ladder)trans-107.2118.2-178.5-75.1-54.5000109.8Y159 M207 V208 S209Y159-D235 HydrophobicContact CE2-CB 3.76Å; Y159-D235 VanDerWaalsContact CE2-OD1 3.25Å; Y159-D235 WeakPolarHBondContact CE2-OD1 3.32Å; Y159-D235 PolarHBondContact OH-OD1 2.99Å; M207-D235 VanDerWaalsContact CA-O 3.3Å; M207-D235 WeakPolarHBondContact CA-O 3.29Å; V208-D235 HydrophobicContact CG2-CB 3.77Å; V208-D235 PolarHBondContact N-O 3.38Å; V208-D235 PolarHBondContact O-N 2.85Å; S209-D235 PolarHBondContact OG-OD2 3.12Å
236I98Very high88Confident10 Ų1041.2 Ų41.25%0.05125%0.247CC..EExtended strand (participates in β ladder)trans-80.9129.4178.3-52-176.9000109L160 G161 Y163 V199L160-I236 HydrophobicContact CB-CB 4.17Å; L160-I236 HydrophobicContact CB-CG2 3.95Å; L160-I236 WeakPolarHBondContact CB-O 3.43Å; L160-I236 HydrophobicContact CD1-CG2 3.95Å; L160-I236 PolarHBondContact N-O 3.25Å; G161-I236 PolarHBondContact N-O 2.74Å; G161-I236 PolarHBondContact O-N 3.06Å; Y163-I236 HydrophobicContact CD2-CD1 4.12Å; V199-I236 HydrophobicContact CB-CG2 4.34Å; V199-I236 HydrophobicContact CG1-CG2 4.02Å; V199-I236 HydrophobicContact CG2-CD1 4.4Å; V199-I236 HydrophobicContact CG2-CG1 4.23Å; V199-I236 HydrophobicContact CG2-CG2 4.26Å
237V96.1Very high87.9Confident1 Ų143.3 Ų43.31%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-137.5157.2-176-64.30000112.4F143 I156 K158 Y159 G204 N205 G206 V208 T239F143-V237 HydrophobicContact CZ-CG2 4.23Å; I156-V237 HydrophobicContact CD1-CG1 4.21Å; I156-V237 HydrophobicContact CG1-CB 4.44Å; I156-V237 HydrophobicContact CG1-CG1 4.34Å; I156-V237 HydrophobicContact CG1-CG2 4.43Å; I156-V237 HydrophobicContact CG2-CB 4.05Å; I156-V237 HydrophobicContact CG2-CG1 3.9Å; K158-V237 CarbonylContact O-C 3.55Å; K158-V237 VanDerWaalsContact O-CA 3.31Å; K158-V237 WeakPolarHBondContact O-CA 3.5Å; Y159-V237 HydrophobicContact CD2-CG1 4.22Å; G204-V237 WeakPolarHBondContact CA-O 3.02Å; N205-V237 PolarHBondContact N-O 3.42Å; N205-V237 PolarHBondContact OD1-O 3.21Å; G206-V237 PolarHBondContact N-O 2.85Å; G206-V237 PolarHBondContact O-N 2.83Å; V208-V237 HydrophobicContact CG1-CG2 4.07Å; V208-V237 HydrophobicContact CG2-CG1 4.09Å; V208-V237 HydrophobicContact CG2-CG2 4.42Å; V237-T239 HydrophobicContact CG2-CG2 4.03Å
238T95.5Very high87.6Confident29 Ų2941.6 Ų41.618%0.17825%0.254CS..EExtended strand (participates in β ladder)trans-102.9133.3158.5-49.70000108.1E157 K158 G203 N205E157-T238 PolarHBondContact N-O 3.41Å; K158-T238 PolarHBondContact N-O 2.89Å; K158-T238 PolarHBondContact O-N 3.29Å; G203-T238 PolarHBondContact O-OG1 3.3Å; N205-T238 WeakPolarHBondContact OD1-CA 3.48Å
239T92.8Very high87.3Confident16 Ų1643.9 Ų43.910%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-117.6147.517859.90000110.9F143 P150 R155 I156 N205 V237F143-T239 HydrophobicContact CE1-CG2 3.77Å; F143-T239 HydrophobicContact CZ-CG2 3.57Å; P150-T239 HydrophobicContact CB-CG2 3.61Å; P150-T239 HydrophobicContact CG-CG2 3.85Å; R155-T239 VanDerWaalsContact O-CA 3.25Å; R155-T239 WeakPolarHBondContact O-CA 3.34Å; I156-T239 HydrophobicContact CG1-CG2 4.39Å; N205-T239 PolarHBondContact ND2-O 3.44Å; N205-T239 VanDerWaalsContact ND2-O 3.09Å; N205-T239 PolarHBondContact ND2-OG1 3.44Å; N205-T239 PolarHBondContact OD1-N 2.98Å; N205-T239 PolarHBondContact OD1-OG1 3.25Å; N205-T239 VanDerWaalsContact OD1-OG1 3.09Å; V237-T239 HydrophobicContact CG2-CG2 4.03Å
240V89.7Confident87Confident32 Ų3243.9 Ų43.919%0.19427%0.271CS..EExtended strand (participates in β ladder)trans-112.2133.8170.2-69.40000108.8S154 R155 E157 S242S154-V240 WeakPolarHBondContact CA-O 3.43Å; S154-V240 WeakPolarHBondContact CB-O 3.24Å; R155-V240 HydrophobicContact CG-CG2 3.42Å; R155-V240 VanDerWaalsContact CG-CG2 3.42Å; R155-V240 PolarHBondContact N-O 3.42Å; R155-V240 PolarHBondContact O-N 3.31Å; E157-V240 HydrophobicContact CB-CG1 3.88Å; E157-V240 HydrophobicContact CB-CG2 4.18Å; E157-V240 VanDerWaalsContact CD-CG1 3.48Å; E157-V240 HydrophobicContact CG-CG1 4.15Å; E157-V240 WeakPolarHBondContact OE2-CG1 3.33Å; V240-S242 PolarHBondContact O-N 3.13Å
241S82.6Confident86.6Confident96 Ų9647.1 Ų47.167%0.67129%0.291SS*.  trans-59.1138167.7-175.70000108.4S243S241-S243 PolarHBondContact O-N 2.83Å
242S74.7Confident86.2Confident62 Ų6248.9 Ų48.943%0.43430%0.301SS..  trans-68.488.4171.5-68.90000108G153 V240 N244G153-S242 PolarHBondContact O-OG 2.9Å; V240-S242 PolarHBondContact O-N 3.13Å; S242-N244 PolarHBondContact O-N 2.79Å
243S64.7Low85.7Confident100 Ų10052.9 Ų52.970%0.69933%0.325SS*.  trans-64.4112.216558.10000107.6S241S241-S243 PolarHBondContact O-N 2.83Å
244N45.3Very low84.8Confident236 Ų23656.6 Ų56.6100%1.26235%0.347SS*.  trans-58.20164.5-84.2-22.1000110.8S242S242-N244 PolarHBondContact O-N 2.79Å

Retrieved 244 of 244 residues in 363.4 ms (Link to these results)

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