A0A077YW19_TRITR Loading...

40S ribosomal protein S7

AlphaFold DB , UniProt , Accession A0A077YW19, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 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
1M50.8Low66.7Low180 Ų18099.1 Ų99.189%0.88751%0.507SS*.  0-820-68.9-58.7-127.300112.8L3 E4M1-L3 PolarHBondContact O-N 3.43Å; M1-E4 PolarHBondContact N-OE1 3.17Å; M1-E4 PolarHBondContact O-N 3.37Å
2D62.7Low67.8Low125 Ų12599.6 Ų99.667%0.66851%0.505SS*.THydrogen-bonded Turntrans-75.8-10.7-174.6-69-14.7000116.8S5 K58D2-S5 PolarHBondContact O-OG 3.21Å; D2-S5 VanDerWaalsContact O-OG 3.08Å; D2-K58 VanDerWaalsContact CB-NZ 3.3Å
3L65.1Low69Low31 Ų3193.9 Ų93.916%0.16248%0.477CS..THydrogen-bonded Turntrans-94.4-21.9173.2-67.7107.7000113M1 S5 L13 L51 E54 M55 K58M1-L3 PolarHBondContact O-N 3.43Å; L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 3.35Å; L3-L13 HydrophobicContact CB-CD1 4.05Å; L3-L51 HydrophobicContact CD2-CD1 4.3Å; L3-E54 HydrophobicContact CD2-CB 3.77Å; L3-M55 HydrophobicContact CD1-CE 3.1Å; L3-M55 HydrophobicContact CD2-CE 3.6Å; L3-M55 HydrophobicContact CG-CE 3.96Å; L3-K58 HydrophobicContact CD1-CD 4.36Å
4E61.9Low70.1Confident96 Ų9697.1 Ų97.145%0.44949%0.486SS..THydrogen-bonded Turntrans-75.9-18.3177.9-73.2152.3-120.100112.2M1 S6 R10 L13M1-E4 PolarHBondContact N-OE1 3.17Å; M1-E4 PolarHBondContact O-N 3.37Å; E4-S6 VanDerWaalsContact C-N 3.33Å; E4-R10 WeakPolarHBondContact O-CG 3.31Å; E4-L13 HydrophobicContact CG-CB 4.39Å; E4-L13 HydrophobicContact CG-CD1 4.44Å
5S63.9Low71.1Confident84 Ų8499.9 Ų99.959%0.58750%0.497SS*.THydrogen-bonded Turntrans-74.5-21.8177.455.50000113.2D2 L3 N7D2-S5 PolarHBondContact O-OG 3.21Å; D2-S5 VanDerWaalsContact O-OG 3.08Å; L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 3.35Å; S5-N7 PolarHBondContact O-N 3.43Å
6S68.2Low72.4Confident49 Ų4995.1 Ų95.134%0.34347%0.473SS..SBendtrans-82.1118.7174.4177.50000109.6E4 E8 Y9 R10E4-S6 VanDerWaalsContact C-N 3.33Å; S6-E8 PolarHBondContact O-N 3.07Å; S6-Y9 PolarHBondContact O-N 3.38Å; S6-R10 PolarHBondContact O-N 3.19Å
7N65.9Low73.6Confident135 Ų13595.3 Ų95.372%0.72247%0.472SS*.Hα-helixtrans-52.3-28.5-174.6-77.8-18.9000113.5S5 Y9S5-N7 PolarHBondContact O-N 3.43Å; N7-Y9 VanDerWaalsContact C-N 3.34Å; N7-Y9 PolarHBondContact O-N 3.2Å
8E69.6Low74.7Confident122 Ų12296.8 Ų96.857%0.5748%0.476SS*.Hα-helixtrans-68.1-28.7-179.8-66.4-170.8-156.100114.3S6 K50S6-E8 PolarHBondContact O-N 3.07Å; E8-K50 IonicContact OE2-NZ 3.83Å; E8-K50 PolarHBondContact OE2-NZ 3.04Å
9Y73.5Confident75.8Confident25 Ų2596.7 Ų96.710%0.09848%0.477CS..Hα-helixtrans-103.1-21-173.9-59.5-79.1000113.1S6 N7 D11 H12 L13 K50S6-Y9 PolarHBondContact O-N 3.38Å; N7-Y9 VanDerWaalsContact C-N 3.34Å; N7-Y9 PolarHBondContact O-N 3.2Å; Y9-D11 VanDerWaalsContact C-N 3.3Å; Y9-D11 PolarHBondContact O-N 2.97Å; Y9-H12 PolarHBondContact O-N 3.09Å; Y9-H12 VanDerWaalsContact O-N 3.12Å; Y9-L13 WeakPolarHBondContact O-CB 3.48Å; Y9-L13 WeakPolarHBondContact O-CG 3.17Å; Y9-L13 PolarHBondContact O-N 3.34Å; Y9-K50 HydrophobicContact CE1-CB 3.79Å; Y9-K50 HydrophobicContact CE1-CD 4.29Å
10R73Confident76.8Confident131 Ų13194.2 Ų94.249%0.49447%0.472SS..Hα-helixtrans-55.9-45.2-169-164.1179.5177152.5-0.5111.9E4 S6 L13 K14E4-R10 WeakPolarHBondContact O-CG 3.31Å; S6-R10 PolarHBondContact O-N 3.19Å; R10-L13 PolarHBondContact O-N 2.92Å; R10-K14 WeakPolarHBondContact O-CG 3.48Å; R10-K14 PolarHBondContact O-N 2.72Å; R10-K14 VanDerWaalsContact O-N 3.13Å
11D79.6Confident77.7Confident112 Ų11292.7 Ų92.760%0.59948%0.475SS*.Hα-helixtrans-70.6-33.7-178-67.2-25.3000113.2Y9 K14Y9-D11 VanDerWaalsContact C-N 3.3Å; Y9-D11 PolarHBondContact O-N 2.97Å; D11-K14 IonicContact OD1-NZ 2.83Å; D11-K14 PolarHBondContact OD1-NZ 3.23Å
12H79.6Confident79.8Confident105 Ų10589 Ų8949%0.48645%0.453SS..Hα-helixtrans-76.9-35.4176.2-66.8-51.8000113Y9 L16 I47Y9-H12 PolarHBondContact O-N 3.09Å; Y9-H12 VanDerWaalsContact O-N 3.12Å; H12-L16 VanDerWaalsContact O-CD1 3.28Å; H12-L16 WeakPolarHBondContact O-CD1 3.24Å; H12-L16 VanDerWaalsContact O-CG 3.29Å; H12-L16 WeakPolarHBondContact O-CG 3.19Å; H12-I47 HydrophobicContact CB-CD1 4.35Å; H12-I47 HydrophobicContact CB-CG2 3.79Å
13L83.4Confident81.4Confident26 Ų2687 Ų8714%0.13644%0.44CS..Hα-helixtrans-83.2-21.9-174.7-68.5179.6000113.5L3 E4 Y9 R10 E15 L16 I47L3-L13 HydrophobicContact CB-CD1 4.05Å; E4-L13 HydrophobicContact CG-CB 4.39Å; E4-L13 HydrophobicContact CG-CD1 4.44Å; Y9-L13 WeakPolarHBondContact O-CB 3.48Å; Y9-L13 WeakPolarHBondContact O-CG 3.17Å; Y9-L13 PolarHBondContact O-N 3.34Å; R10-L13 PolarHBondContact O-N 2.92Å; L13-E15 PolarHBondContact O-N 2.94Å; L13-E15 VanDerWaalsContact O-N 3.11Å; L13-L16 HydrophobicContact CD2-CD1 4.34Å; L13-L16 PolarHBondContact O-N 3.09Å; L13-I47 HydrophobicContact CD2-CD1 3.82Å
14K83.8Confident82.8Confident139 Ų13985.9 Ų85.960%0.60443%0.434SS*.THydrogen-bonded Turntrans-49.3-38.7-179.3-88.7165.2-172.5166.20114R10 D11R10-K14 WeakPolarHBondContact O-CG 3.48Å; R10-K14 PolarHBondContact O-N 2.72Å; R10-K14 VanDerWaalsContact O-N 3.13Å; D11-K14 IonicContact OD1-NZ 2.83Å; D11-K14 PolarHBondContact OD1-NZ 3.23Å
15E86.3Confident84.2Confident139 Ų13989 Ų8965%0.6545%0.449SS*.THydrogen-bonded Turntrans-97.6-12.9-176.9-62.4-178.8177.400113.4L13 Q40L13-E15 PolarHBondContact O-N 2.94Å; L13-E15 VanDerWaalsContact O-N 3.11Å; E15-Q40 PolarHBondContact O-NE2 3.36Å
16L91.5Very high85.4Confident22 Ų2285.5 Ų85.512%0.11542%0.424CS..  trans-89.9135.3-172.5-66.7-179.4000111H12 L13 Q40 Q43 Y44 I47H12-L16 VanDerWaalsContact O-CD1 3.28Å; H12-L16 WeakPolarHBondContact O-CD1 3.24Å; H12-L16 VanDerWaalsContact O-CG 3.29Å; H12-L16 WeakPolarHBondContact O-CG 3.19Å; L13-L16 HydrophobicContact CD2-CD1 4.34Å; L13-L16 PolarHBondContact O-N 3.09Å; L16-Q40 HydrophobicContact CD2-CB 3.9Å; L16-Q40 HydrophobicContact CD2-CG 4.19Å; L16-Q43 HydrophobicContact CD2-CB 3.78Å; L16-Y44 HydrophobicContact CB-CE2 4.1Å; L16-Y44 HydrophobicContact CD1-CD1 4.37Å; L16-Y44 HydrophobicContact CD1-CD2 4.43Å; L16-Y44 HydrophobicContact CD1-CE1 4.29Å; L16-Y44 HydrophobicContact CD1-CE2 4.35Å; L16-Y44 HydrophobicContact CD1-CG 4.44Å; L16-Y44 HydrophobicContact CD2-CD2 3.96Å; L16-Y44 HydrophobicContact CD2-CE2 3.78Å; L16-Y44 HydrophobicContact CG-CE2 4.31Å; L16-I47 HydrophobicContact CD1-CD1 3.53Å
17H92.5Very high86.2Confident99 Ų9987.2 Ų87.246%0.45843%0.434SS..  trans-137.7153.2170.162.7-83.6000110P37 Q40 Y44H17-P37 VanDerWaalsContact NE2-CG 3.33Å; H17-P37 WeakPolarHBondContact NE2-CG 3.44Å; H17-P37 WeakPolarHBondContact O-CD 3.32Å; H17-Q40 VanDerWaalsContact N-OE1 3.14Å; H17-Q40 PolarHBondContact ND1-NE2 2.83Å; H17-Q40 PolarHBondContact O-OE1 3.48Å; H17-Q40 VanDerWaalsContact O-OE1 3.12Å; H17-Y44 VanDerWaalsContact C-OH 3.23Å; H17-Y44 PolarHBondContact O-OH 3.3Å
18F93.6Very high86.9Confident123 Ų12388.9 Ų88.954%0.53944%0.443SS..  trans-102.7156.3170.670.5-83.1000109.5A21 I34 V36F18-A21 HydrophobicContact CE2-CB 4.48Å; F18-I34 HydrophobicContact CB-CG2 3.68Å; F18-I34 HydrophobicContact CD2-CG2 4.39Å; F18-I34 HydrophobicContact CG-CG2 4.15Å; F18-V36 HydrophobicContact CB-CG1 4.41Å
19L95.9Very high87.8Confident95 Ų9590 Ų9050%0.49744%0.442SS..SBendtrans-93.1-40.8-178.1-65.1172.1000111.9Y35 P37 R69L19-Y35 PolarHBondContact N-O 2.99Å; L19-P37 HydrophobicContact CD1-CB 4.49Å; L19-P37 HydrophobicContact CD1-CG 4.2Å; L19-P37 HydrophobicContact CD2-CG 4.13Å; L19-P37 HydrophobicContact CG-CG 3.95Å; L19-R69 HydrophobicContact CD1-CB 3.55Å; L19-R69 HydrophobicContact CD1-CG 3.91Å
20A95.5Very high88.8Confident46 Ų4693.2 Ų93.238%0.3846%0.456SS..EExtended strand (participates in β ladder)trans-159.8155.7-179.400000110.2Y35A20-Y35 HydrophobicContact CB-CD2 4Å; A20-Y35 WeakPolarHBondContact O-CB 3.26Å; A20-Y35 PolarHBondContact O-N 3.22Å
21A95.5Very high89.8Confident63 Ų6387 Ų8752%0.52143%0.433SS..EExtended strand (participates in β ladder)trans-122.4141.8166.500000108.9F18 I33F18-A21 HydrophobicContact CE2-CB 4.48Å; A21-I33 CarbonylContact C-O 3.59Å; A21-I33 VanDerWaalsContact CA-O 3.27Å; A21-I33 WeakPolarHBondContact CA-O 3.43Å
22K95.3Very high90.6Very high101 Ų10182.4 Ų82.444%0.43941%0.408SS..EExtended strand (participates in β ladder)trans-135.3126.3176.6-175.7171.9-177.51760109.6I24 I33 Y35 H152K22-I24 HydrophobicContact CG-CG2 4.28Å; K22-I33 PolarHBondContact N-O 3.1Å; K22-I33 PolarHBondContact O-N 2.99Å; K22-Y35 HydrophobicContact CB-CE2 4.25Å; K22-H152 WeakPolarHBondContact CE-NE2 3.48Å; K22-H152 PolarHBondContact NZ-NE2 3.05Å
23E95.1Very high91.4Very high84 Ų8477.4 Ų77.439%0.39339%0.385SS..EExtended strand (participates in β ladder)trans-81.4138.9168.4-173.1166.7-151.100109.9K30 A31 R62E23-K30 HydrophobicContact CG-CB 4.25Å; E23-K30 HydrophobicContact CG-CD 4.31Å; E23-K30 VanDerWaalsContact OE1-CB 3.31Å; E23-K30 WeakPolarHBondContact OE1-CB 3.36Å; E23-K30 WeakPolarHBondContact OE1-CD 3.4Å; E23-A31 WeakPolarHBondContact CA-O 3.29Å; E23-R62 IonicContact OE1-CZ 2.91Å; E23-R62 IonicContact OE1-NE 3.28Å; E23-R62 IonicContact OE1-NH1 2.98Å; E23-R62 PolarHBondContact OE1-NH1 3.15Å; E23-R62 IonicContact OE2-NH1 3.79Å
24I94.9Very high92Very high7 Ų777.2 Ų77.24%0.03638%0.384CS..EExtended strand (participates in β ladder)trans-131.5152.517865.9153.5000110.2K22 V26 K30 A31 I33 V149 H152K22-I24 HydrophobicContact CG-CG2 4.28Å; I24-V26 HydrophobicContact CD1-CG2 3.71Å; I24-V26 HydrophobicContact CG1-CG2 4.12Å; I24-K30 WeakPolarHBondContact O-CA 3.37Å; I24-A31 HydrophobicContact CD1-CB 4.42Å; I24-A31 HydrophobicContact CG1-CB 3.99Å; I24-A31 WeakPolarHBondContact CG1-O 3.15Å; I24-A31 PolarHBondContact N-O 3.26Å; I24-A31 PolarHBondContact O-N 3.24Å; I24-I33 HydrophobicContact CD1-CD1 4.08Å; I24-I33 HydrophobicContact CD1-CG1 4.45Å; I24-I33 HydrophobicContact CG1-CD1 4.33Å; I24-I33 HydrophobicContact CG1-CG1 4.41Å; I24-I33 HydrophobicContact CG2-CD1 3.85Å; I24-I33 HydrophobicContact CG2-CG1 4.43Å; I24-V149 HydrophobicContact CD1-CB 4.15Å; I24-V149 HydrophobicContact CD1-CG2 3.55Å; I24-H152 HydrophobicContact CD1-CB 4.35Å; I24-H152 VanDerWaalsContact CG2-CD2 3.42Å; I24-H152 WeakPolarHBondContact CG2-CD2 3.34Å; I24-H152 VanDerWaalsContact CG2-NE2 3.31Å; I24-H152 WeakPolarHBondContact CG2-NE2 3.43Å
25E92.7Very high92.6Very high161 Ų16171.8 Ų71.875%0.75236%0.36SS*.EExtended strand (participates in β ladder)trans-91.4129.3171.7-63.9-176.4168.100109.3
26V88.8Confident93.1Very high12 Ų1265.2 Ų65.27%0.07333%0.329CS..EExtended strand (participates in β ladder)trans-120.8156.1178.2168.80000106.2I24 N28 R29 A31 T145I24-V26 HydrophobicContact CD1-CG2 3.71Å; I24-V26 HydrophobicContact CG1-CG2 4.12Å; V26-N28 PolarHBondContact O-N 3.45Å; V26-R29 CarbonylContact C-O 3.56Å; V26-R29 WeakPolarHBondContact CA-O 3.06Å; V26-R29 PolarHBondContact N-O 2.94Å; V26-R29 PolarHBondContact O-N 3.27Å; V26-R29 VanDerWaalsContact O-N 3.09Å; V26-A31 HydrophobicContact CG2-CB 3.81Å; V26-T145 HydrophobicContact CG2-CG2 4.41Å
27P83.4Confident93.4Very high84 Ų8465 Ų6555%0.54533%0.329SS..THydrogen-bonded Turntrans-45.7119.3173.9-30.536.1000111.9R29P27-R29 PolarHBondContact O-N 3.5Å; P27-R29 VanDerWaalsContact O-N 3.1Å
28N82.2Confident93.5Very high170 Ų17065.8 Ų65.891%0.90933%0.331SS*.THydrogen-bonded Turntrans65.20.5177.5-51.3-34.6000117.4V26V26-N28 PolarHBondContact O-N 3.45Å
29R88Confident93.5Very high146 Ų14665.2 Ų65.255%0.55134%0.34SS*.EExtended strand (participates in β ladder)trans-150.4162.5-177.2-64.7-173.1-179.2162.45.8112.6V26 P27 H63V26-R29 CarbonylContact C-O 3.56Å; V26-R29 WeakPolarHBondContact CA-O 3.06Å; V26-R29 PolarHBondContact N-O 2.94Å; V26-R29 PolarHBondContact O-N 3.27Å; V26-R29 VanDerWaalsContact O-N 3.09Å; P27-R29 PolarHBondContact O-N 3.5Å; P27-R29 VanDerWaalsContact O-N 3.1Å; R29-H63 PolarHBondContact NH1-NE2 3.2Å
30K93.3Very high93.5Very high92 Ų9262 Ų6240%0.432%0.322SS..EExtended strand (participates in β ladder)trans-98.1142.3165.5-61.2-169.4-179.4-173.70109.9E23 I24E23-K30 HydrophobicContact CG-CB 4.25Å; E23-K30 HydrophobicContact CG-CD 4.31Å; E23-K30 VanDerWaalsContact OE1-CB 3.31Å; E23-K30 WeakPolarHBondContact OE1-CB 3.36Å; E23-K30 WeakPolarHBondContact OE1-CD 3.4Å; I24-K30 WeakPolarHBondContact O-CA 3.37Å
31A94.9Very high93.4Very high0 Ų060.3 Ų60.30%031%0.307CS..EExtended strand (participates in β ladder)trans-126.2146.2176.300000110.6E23 I24 V26 H63 T145 V149E23-A31 WeakPolarHBondContact CA-O 3.29Å; I24-A31 HydrophobicContact CD1-CB 4.42Å; I24-A31 HydrophobicContact CG1-CB 3.99Å; I24-A31 WeakPolarHBondContact CG1-O 3.15Å; I24-A31 PolarHBondContact N-O 3.26Å; I24-A31 PolarHBondContact O-N 3.24Å; V26-A31 HydrophobicContact CG2-CB 3.81Å; A31-H63 CarbonylContact C-O 3.53Å; A31-H63 VanDerWaalsContact CA-O 3.3Å; A31-H63 WeakPolarHBondContact CA-O 3.39Å; A31-T145 HydrophobicContact CB-CG2 3.61Å; A31-V149 HydrophobicContact CB-CG2 4.49Å
32I96.1Very high93.3Very high16 Ų1665.1 Ų65.18%0.08232%0.316CS..EExtended strand (participates in β ladder)trans-109120.9-178.4-57.9170.5000108.7I34 F59 H63 V64 V65I32-I34 HydrophobicContact CG2-CG1 4.21Å; I32-F59 HydrophobicContact CD1-CB 3.88Å; I32-F59 HydrophobicContact CD1-CD1 3.82Å; I32-F59 HydrophobicContact CD1-CD2 3.81Å; I32-F59 HydrophobicContact CD1-CE1 4.31Å; I32-F59 HydrophobicContact CD1-CE2 4.31Å; I32-F59 HydrophobicContact CD1-CG 3.56Å; I32-H63 PolarHBondContact N-O 3.19Å; I32-V64 HydrophobicContact CB-CG2 4.27Å; I32-V64 HydrophobicContact CD1-CG2 4.48Å; I32-V64 WeakPolarHBondContact O-CA 3.34Å; I32-V65 PolarHBondContact O-N 3.23Å
33I96.2Very high93.2Very high0 Ų064.2 Ų64.20%031%0.313CS..EExtended strand (participates in β ladder)trans-94.5121.8172.2-57.6174.2000108.5A21 K22 I24 Y35 V65 I67 V149 L153A21-I33 CarbonylContact C-O 3.59Å; A21-I33 VanDerWaalsContact CA-O 3.27Å; A21-I33 WeakPolarHBondContact CA-O 3.43Å; K22-I33 PolarHBondContact N-O 3.1Å; K22-I33 PolarHBondContact O-N 2.99Å; I24-I33 HydrophobicContact CD1-CD1 4.08Å; I24-I33 HydrophobicContact CD1-CG1 4.45Å; I24-I33 HydrophobicContact CG1-CD1 4.33Å; I24-I33 HydrophobicContact CG1-CG1 4.41Å; I24-I33 HydrophobicContact CG2-CD1 3.85Å; I24-I33 HydrophobicContact CG2-CG1 4.43Å; I33-Y35 HydrophobicContact CG2-CD2 4.32Å; I33-Y35 HydrophobicContact CG2-CE1 4.18Å; I33-Y35 HydrophobicContact CG2-CE2 3.9Å; I33-V65 WeakPolarHBondContact CA-O 3.3Å; I33-I67 HydrophobicContact CG2-CB 4.36Å; I33-I67 HydrophobicContact CG2-CD1 3.79Å; I33-I67 HydrophobicContact CG2-CG1 4.16Å; I33-V149 HydrophobicContact CD1-CG1 3.89Å; I33-V149 HydrophobicContact CG1-CG1 4.15Å; I33-V149 HydrophobicContact CG1-CG2 4.41Å; I33-L153 HydrophobicContact CD1-CD2 4.29Å; I33-L153 HydrophobicContact CD1-CG 4.39Å
34I96.2Very high93.1Very high22 Ų2260.9 Ų60.911%0.11330%0.297CS..EExtended strand (participates in β ladder)trans-104.4116.5172.8-57.6177.8000108.5F18 I32 V36 V64 V65 I66 I67F18-I34 HydrophobicContact CB-CG2 3.68Å; F18-I34 HydrophobicContact CD2-CG2 4.39Å; F18-I34 HydrophobicContact CG-CG2 4.15Å; I32-I34 HydrophobicContact CG2-CG1 4.21Å; I34-V36 HydrophobicContact CG2-CG1 4.25Å; I34-V64 HydrophobicContact CD1-CG1 3.54Å; I34-V64 HydrophobicContact CG1-CG1 4.01Å; I34-V65 PolarHBondContact N-O 3.19Å; I34-I66 HydrophobicContact CB-CG1 4.46Å; I34-I67 PolarHBondContact O-N 3.29Å
35Y97.3Very high93Very high26 Ų2664.5 Ų64.510%0.10231%0.31CS..EExtended strand (participates in β ladder)trans-84.7120175.7-67.1-79.6000110.5L19 A20 K22 I33 I67 L153L19-Y35 PolarHBondContact N-O 2.99Å; A20-Y35 HydrophobicContact CB-CD2 4Å; A20-Y35 WeakPolarHBondContact O-CB 3.26Å; A20-Y35 PolarHBondContact O-N 3.22Å; K22-Y35 HydrophobicContact CB-CE2 4.25Å; I33-Y35 HydrophobicContact CG2-CD2 4.32Å; I33-Y35 HydrophobicContact CG2-CE1 4.18Å; I33-Y35 HydrophobicContact CG2-CE2 3.9Å; Y35-I67 VanDerWaalsContact CA-O 3.3Å; Y35-I67 WeakPolarHBondContact CA-O 3.47Å; Y35-L153 HydrophobicContact CE1-CD2 4.38Å; Y35-L153 VanDerWaalsContact OH-CD2 3.24Å; Y35-L153 WeakPolarHBondContact OH-CD2 3.28Å
36V96.4Very high93Very high0 Ų065 Ų650%031%0.31CS..EExtended strand (participates in β ladder)trans-110.5153177.1-62.50000111.3F18 I34 F38 L41 Y44 I66 I67 A68 R69F18-V36 HydrophobicContact CB-CG1 4.41Å; I34-V36 HydrophobicContact CG2-CG1 4.25Å; V36-F38 PolarHBondContact O-N 2.81Å; V36-L41 HydrophobicContact CG2-CD1 4.09Å; V36-Y44 HydrophobicContact CB-CD2 3.86Å; V36-Y44 HydrophobicContact CB-CE2 3.71Å; V36-Y44 HydrophobicContact CG1-CD1 4.22Å; V36-Y44 HydrophobicContact CG1-CD2 3.76Å; V36-Y44 HydrophobicContact CG1-CE1 3.95Å; V36-Y44 HydrophobicContact CG1-CE2 3.44Å; V36-Y44 VanDerWaalsContact CG1-CE2 3.44Å; V36-Y44 HydrophobicContact CG1-CG 4.14Å; V36-Y44 HydrophobicContact CG2-CD2 4.16Å; V36-I66 HydrophobicContact CB-CG2 4.34Å; V36-I66 HydrophobicContact CG1-CG2 3.68Å; V36-I66 HydrophobicContact CG2-CG2 3.67Å; V36-I67 PolarHBondContact N-O 3.37Å; V36-A68 HydrophobicContact CG2-CB 4.42Å; V36-A68 CarbonylContact O-C 3.55Å; V36-A68 WeakPolarHBondContact O-CA 3.36Å; V36-R69 PolarHBondContact O-N 3.49Å
37P96.6Very high93.1Very high17 Ų1765 Ų6511%0.1131%0.31CS..EExtended strand (participates in β ladder)trans-58.3132.4169.8-20.131.1000110.8H17 L19 P39 Q40 L41H17-P37 VanDerWaalsContact NE2-CG 3.33Å; H17-P37 WeakPolarHBondContact NE2-CG 3.44Å; H17-P37 WeakPolarHBondContact O-CD 3.32Å; L19-P37 HydrophobicContact CD1-CB 4.49Å; L19-P37 HydrophobicContact CD1-CG 4.2Å; L19-P37 HydrophobicContact CD2-CG 4.13Å; L19-P37 HydrophobicContact CG-CG 3.95Å; P37-P39 VanDerWaalsContact C-CD 3.4Å; P37-P39 VanDerWaalsContact C-N 3.32Å; P37-Q40 HydrophobicContact CB-CB 4.44Å; P37-Q40 HydrophobicContact CB-CG 4.31Å; P37-Q40 PolarHBondContact O-N 2.83Å; P37-L41 PolarHBondContact O-N 2.92Å
38F95Very high93.4Very high117 Ų11761.3 Ų61.351%0.51329%0.285SS..G310 helixtrans-51.3-41.4178.2172.3-100.3000114.3V36 Q40 L41 A68 R70V36-F38 PolarHBondContact O-N 2.81Å; F38-Q40 PolarHBondContact O-N 2.95Å; F38-L41 VanDerWaalsContact O-CB 3.31Å; F38-L41 WeakPolarHBondContact O-CB 3.48Å; F38-L41 PolarHBondContact O-N 2.91Å; F38-A68 HydrophobicContact CB-CB 4.2Å; F38-A68 HydrophobicContact CD2-CB 4.14Å; F38-R70 HydrophobicContact CD2-CG 4.37Å
39P95Very high93.8Very high111 Ų11156 Ų5672%0.72127%0.27SS*.G310 helixtrans-60.7-30.8177.4-25.136000114.1P37P37-P39 VanDerWaalsContact C-CD 3.4Å; P37-P39 VanDerWaalsContact C-N 3.32Å
40Q95Very high93.8Very high26 Ų2654.6 Ų54.612%0.12127%0.268CS..G310 helixtrans-86.5-10.4-177.6-65.3-171-21.900113E15 L16 H17 P37 F38 K42 Q43 Y44E15-Q40 PolarHBondContact O-NE2 3.36Å; L16-Q40 HydrophobicContact CD2-CB 3.9Å; L16-Q40 HydrophobicContact CD2-CG 4.19Å; H17-Q40 VanDerWaalsContact N-OE1 3.14Å; H17-Q40 PolarHBondContact ND1-NE2 2.83Å; H17-Q40 PolarHBondContact O-OE1 3.48Å; H17-Q40 VanDerWaalsContact O-OE1 3.12Å; P37-Q40 HydrophobicContact CB-CB 4.44Å; P37-Q40 HydrophobicContact CB-CG 4.31Å; P37-Q40 PolarHBondContact O-N 2.83Å; F38-Q40 PolarHBondContact O-N 2.95Å; Q40-K42 PolarHBondContact O-N 2.93Å; Q40-K42 VanDerWaalsContact O-N 3.14Å; Q40-Q43 WeakPolarHBondContact O-CB 3.46Å; Q40-Q43 PolarHBondContact O-N 2.81Å; Q40-Y44 HydrophobicContact CB-CD2 4.03Å; Q40-Y44 HydrophobicContact CB-CE2 4.1Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.46Å; Q40-Y44 PolarHBondContact O-N 2.83Å
41L94.4Very high93.7Very high12 Ų1250.9 Ų50.96%0.06325%0.253CS..Hα-helixtrans-53.4-40.2-176.4-178.167.7000112.7V36 P37 F38 Q43 Y44 R45 A68 D105V36-L41 HydrophobicContact CG2-CD1 4.09Å; P37-L41 PolarHBondContact O-N 2.92Å; F38-L41 VanDerWaalsContact O-CB 3.31Å; F38-L41 WeakPolarHBondContact O-CB 3.48Å; F38-L41 PolarHBondContact O-N 2.91Å; L41-Q43 VanDerWaalsContact C-N 3.34Å; L41-Q43 PolarHBondContact O-N 2.75Å; L41-Y44 PolarHBondContact O-N 2.99Å; L41-R45 WeakPolarHBondContact O-CG 3.47Å; L41-R45 PolarHBondContact O-N 2.89Å; L41-A68 HydrophobicContact CB-CB 4.2Å; L41-A68 HydrophobicContact CD1-CB 4.04Å; L41-A68 HydrophobicContact CD2-CB 3.86Å; L41-A68 HydrophobicContact CG-CB 4.25Å; L41-D105 VanDerWaalsContact CD2-OD1 3.32Å; L41-D105 WeakPolarHBondContact CD2-OD1 3.41Å
42K93Very high93.5Very high164 Ų16451.8 Ų51.871%0.71326%0.257SS*.Hα-helixtrans-66-35.7179.1-170.9175.8-177.7178.60112.5Q40Q40-K42 PolarHBondContact O-N 2.93Å; Q40-K42 VanDerWaalsContact O-N 3.14Å
43Q93Very high93.2Very high82 Ų8258.7 Ų58.738%0.38328%0.283SS..Hα-helixtrans-70.5-43.3175.1-68.5172.4-22.100110.3L16 Q40 L41 R45 K46L16-Q43 HydrophobicContact CD2-CB 3.78Å; Q40-Q43 WeakPolarHBondContact O-CB 3.46Å; Q40-Q43 PolarHBondContact O-N 2.81Å; L41-Q43 VanDerWaalsContact C-N 3.34Å; L41-Q43 PolarHBondContact O-N 2.75Å; Q43-R45 PolarHBondContact O-N 2.88Å; Q43-K46 PolarHBondContact O-N 3.22Å
44Y93.6Very high92.9Very high14 Ų1461.1 Ų61.16%0.05529%0.294CS..Hα-helixtrans-56.1-46.8173.1-87.5-77.3000112L16 H17 V36 Q40 L41 K46 I47 Q48 L51 I66L16-Y44 HydrophobicContact CB-CE2 4.1Å; L16-Y44 HydrophobicContact CD1-CD1 4.37Å; L16-Y44 HydrophobicContact CD1-CD2 4.43Å; L16-Y44 HydrophobicContact CD1-CE1 4.29Å; L16-Y44 HydrophobicContact CD1-CE2 4.35Å; L16-Y44 HydrophobicContact CD1-CG 4.44Å; L16-Y44 HydrophobicContact CD2-CD2 3.96Å; L16-Y44 HydrophobicContact CD2-CE2 3.78Å; L16-Y44 HydrophobicContact CG-CE2 4.31Å; H17-Y44 VanDerWaalsContact C-OH 3.23Å; H17-Y44 PolarHBondContact O-OH 3.3Å; V36-Y44 HydrophobicContact CB-CD2 3.86Å; V36-Y44 HydrophobicContact CB-CE2 3.71Å; V36-Y44 HydrophobicContact CG1-CD1 4.22Å; V36-Y44 HydrophobicContact CG1-CD2 3.76Å; V36-Y44 HydrophobicContact CG1-CE1 3.95Å; V36-Y44 HydrophobicContact CG1-CE2 3.44Å; V36-Y44 VanDerWaalsContact CG1-CE2 3.44Å; V36-Y44 HydrophobicContact CG1-CG 4.14Å; V36-Y44 HydrophobicContact CG2-CD2 4.16Å; Q40-Y44 HydrophobicContact CB-CD2 4.03Å; Q40-Y44 HydrophobicContact CB-CE2 4.1Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.46Å; Q40-Y44 PolarHBondContact O-N 2.83Å; L41-Y44 PolarHBondContact O-N 2.99Å; Y44-K46 PolarHBondContact O-N 3.33Å; Y44-K46 VanDerWaalsContact O-N 3.17Å; Y44-I47 CarbonylContact O-C 3.51Å; Y44-I47 VanDerWaalsContact O-CG1 3.29Å; Y44-I47 WeakPolarHBondContact O-CG1 3.36Å; Y44-I47 PolarHBondContact O-N 3.01Å; Y44-Q48 WeakPolarHBondContact O-CA 3.22Å; Y44-Q48 VanDerWaalsContact O-CB 3.24Å; Y44-Q48 WeakPolarHBondContact O-CB 3.34Å; Y44-Q48 PolarHBondContact O-N 2.98Å; Y44-L51 HydrophobicContact CD1-CD2 4Å; Y44-L51 HydrophobicContact CE1-CD2 4.05Å; Y44-I66 HydrophobicContact CD1-CD1 4.06Å
45R93Very high92.7Very high83 Ų8361.2 Ų61.231%0.31329%0.294SS..Hα-helixtrans-55.9-34.1179.9-77.5-177.2-177.7-171.32.5113.8L41 Q43 I47 D105 F108L41-R45 WeakPolarHBondContact O-CG 3.47Å; L41-R45 PolarHBondContact O-N 2.89Å; Q43-R45 PolarHBondContact O-N 2.88Å; R45-I47 VanDerWaalsContact C-N 3.33Å; R45-I47 PolarHBondContact O-N 3.07Å; R45-D105 IonicContact NH2-OD1 2.8Å; R45-D105 PolarHBondContact NH2-OD1 2.94Å; R45-F108 HydrophobicContact CB-CE1 4.35Å; R45-F108 HydrophobicContact CB-CE2 3.92Å; R45-F108 HydrophobicContact CB-CZ 3.77Å; R45-F108 HydrophobicContact CG-CD2 3.96Å; R45-F108 HydrophobicContact CG-CE1 4.37Å; R45-F108 HydrophobicContact CG-CE2 3.76Å; R45-F108 HydrophobicContact CG-CG 4.35Å; R45-F108 HydrophobicContact CG-CZ 3.97Å; R45-F108 WeakPolarHBondContact O-CZ 3.36Å
46K91.1Very high92.4Very high170 Ų17061.5 Ų61.574%0.73930%0.296SS*.Hα-helixtrans-64.5-37.3177.6-67.4-177.2178.2-173.60112.7Q43 Y44Q43-K46 PolarHBondContact O-N 3.22Å; Y44-K46 PolarHBondContact O-N 3.33Å; Y44-K46 VanDerWaalsContact O-N 3.17Å
47I90.9Very high92.1Very high14 Ų1467 Ų677%0.07232%0.32CS..Hα-helixtrans-100.7-8.3-177.362.5170.1000113.1H12 L13 L16 Y44 R45 G49 K50 L51H12-I47 HydrophobicContact CB-CD1 4.35Å; H12-I47 HydrophobicContact CB-CG2 3.79Å; L13-I47 HydrophobicContact CD2-CD1 3.82Å; L16-I47 HydrophobicContact CD1-CD1 3.53Å; Y44-I47 CarbonylContact O-C 3.51Å; Y44-I47 VanDerWaalsContact O-CG1 3.29Å; Y44-I47 WeakPolarHBondContact O-CG1 3.36Å; Y44-I47 PolarHBondContact O-N 3.01Å; R45-I47 VanDerWaalsContact C-N 3.33Å; R45-I47 PolarHBondContact O-N 3.07Å; I47-G49 VanDerWaalsContact C-N 3.34Å; I47-G49 PolarHBondContact O-N 2.89Å; I47-K50 PolarHBondContact O-N 3.36Å; I47-L51 HydrophobicContact CD1-CD2 4.23Å; I47-L51 WeakPolarHBondContact O-CB 3.47Å; I47-L51 PolarHBondContact O-N 2.91Å
48Q91.2Very high91.8Very high5 Ų570.9 Ų70.92%0.02334%0.335CS..Hα-helixtrans-56.9-41.1-167.1179.3165.4-6.900112.9Y44 K50 L51 L52 I66 F108Y44-Q48 WeakPolarHBondContact O-CA 3.22Å; Y44-Q48 VanDerWaalsContact O-CB 3.24Å; Y44-Q48 WeakPolarHBondContact O-CB 3.34Å; Y44-Q48 PolarHBondContact O-N 2.98Å; Q48-K50 PolarHBondContact O-N 3.44Å; Q48-L51 PolarHBondContact O-N 3.33Å; Q48-L52 HydrophobicContact CG-CD1 3.56Å; Q48-L52 HydrophobicContact CG-CG 3.87Å; Q48-L52 VanDerWaalsContact O-CB 3.27Å; Q48-L52 WeakPolarHBondContact O-CB 3.41Å; Q48-L52 VanDerWaalsContact O-CG 3.22Å; Q48-L52 WeakPolarHBondContact O-CG 3.29Å; Q48-L52 PolarHBondContact O-N 2.65Å; Q48-I66 HydrophobicContact CG-CD1 4.16Å; Q48-F108 HydrophobicContact CB-CD1 4.23Å; Q48-F108 HydrophobicContact CB-CE1 3.83Å; Q48-F108 HydrophobicContact CG-CD1 3.84Å; Q48-F108 HydrophobicContact CG-CE1 3.96Å
49G89.8Confident91.6Very high58 Ų5869.6 Ų69.660%0.59833%0.33SS*.Hα-helixtrans-59.3-48179.100000113.1I47 R53I47-G49 VanDerWaalsContact C-N 3.34Å; I47-G49 PolarHBondContact O-N 2.89Å; G49-R53 PolarHBondContact O-N 2.8Å
50K87.9Confident91.3Very high117 Ų11767.7 Ų67.751%0.50933%0.33SS..Hα-helixtrans-69.7-45.4176.5-67.8-171.2174.6-168.50111.6E8 Y9 I47 Q48 L52 R53 E54E8-K50 IonicContact OE2-NZ 3.83Å; E8-K50 PolarHBondContact OE2-NZ 3.04Å; Y9-K50 HydrophobicContact CE1-CB 3.79Å; Y9-K50 HydrophobicContact CE1-CD 4.29Å; I47-K50 PolarHBondContact O-N 3.36Å; Q48-K50 PolarHBondContact O-N 3.44Å; K50-L52 PolarHBondContact O-N 2.97Å; K50-R53 PolarHBondContact O-N 3.29Å; K50-E54 PolarHBondContact O-N 3.38Å
51L90.6Very high90.9Very high15 Ų1568.9 Ų68.98%0.07935%0.349CS..Hα-helixtrans-60.5-47.5-177.9179.963.4000111.9L3 Y44 I47 Q48 R53 E54 M55 I66L3-L51 HydrophobicContact CD2-CD1 4.3Å; Y44-L51 HydrophobicContact CD1-CD2 4Å; Y44-L51 HydrophobicContact CE1-CD2 4.05Å; I47-L51 HydrophobicContact CD1-CD2 4.23Å; I47-L51 WeakPolarHBondContact O-CB 3.47Å; I47-L51 PolarHBondContact O-N 2.91Å; Q48-L51 PolarHBondContact O-N 3.33Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 2.99Å; L51-E54 PolarHBondContact O-N 3.42Å; L51-M55 HydrophobicContact CD1-CG 4.27Å; L51-M55 HydrophobicContact CG-CG 4.35Å; L51-M55 WeakPolarHBondContact O-CG 3.47Å; L51-M55 PolarHBondContact O-N 2.68Å; L51-I66 HydrophobicContact CD2-CD1 3.98Å
52L92Very high90.9Very high18 Ų1873.2 Ų73.29%0.09437%0.365CS..Hα-helixtrans-62.3-41.7179.3-71.9-178.6000111.4Q48 K50 E54 M55 E56 V64 I66Q48-L52 HydrophobicContact CG-CD1 3.56Å; Q48-L52 HydrophobicContact CG-CG 3.87Å; Q48-L52 VanDerWaalsContact O-CB 3.27Å; Q48-L52 WeakPolarHBondContact O-CB 3.41Å; Q48-L52 VanDerWaalsContact O-CG 3.22Å; Q48-L52 WeakPolarHBondContact O-CG 3.29Å; Q48-L52 PolarHBondContact O-N 2.65Å; K50-L52 PolarHBondContact O-N 2.97Å; L52-E54 VanDerWaalsContact C-N 3.32Å; L52-E54 PolarHBondContact O-N 3.14Å; L52-M55 PolarHBondContact O-N 3.09Å; L52-E56 WeakPolarHBondContact O-CB 3.4Å; L52-E56 WeakPolarHBondContact O-CG 3.3Å; L52-E56 PolarHBondContact O-N 3.46Å; L52-V64 HydrophobicContact CD2-CB 3.87Å; L52-V64 HydrophobicContact CD2-CG1 3.78Å; L52-V64 VanDerWaalsContact CD2-O 3.29Å; L52-V64 WeakPolarHBondContact CD2-O 3.32Å; L52-I66 HydrophobicContact CD2-CD1 4.07Å; L52-I66 HydrophobicContact CD2-CG1 4.05Å
53R89.5Confident90.9Very high162 Ų16265.9 Ų65.961%0.61133%0.333SS*.Hα-helixtrans-58.3-44177-174.2-179.3-177.5-1640.6112.1G49 K50 L51 K57G49-R53 PolarHBondContact O-N 2.8Å; K50-R53 PolarHBondContact O-N 3.29Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 2.99Å; R53-K57 VanDerWaalsContact O-CG 3.29Å; R53-K57 WeakPolarHBondContact O-CG 3.36Å; R53-K57 PolarHBondContact O-N 2.81Å; R53-K57 VanDerWaalsContact O-N 3.14Å
54E89.4Confident91Very high50 Ų5062.1 Ų62.123%0.23432%0.316CS..Hα-helixtrans-71.1-38.6178.5-67.9-54.6130.400112.4L3 K50 L51 L52 K57 K58L3-E54 HydrophobicContact CD2-CB 3.77Å; K50-E54 PolarHBondContact O-N 3.38Å; L51-E54 PolarHBondContact O-N 3.42Å; L52-E54 VanDerWaalsContact C-N 3.32Å; L52-E54 PolarHBondContact O-N 3.14Å; E54-K57 IonicContact OE1-NZ 2.65Å; E54-K57 PolarHBondContact OE1-NZ 3.43Å; E54-K58 WeakPolarHBondContact O-CG 3.29Å; E54-K58 PolarHBondContact O-N 2.83Å; E54-K58 VanDerWaalsContact O-N 3.11Å
55M91.8Very high91.1Very high24 Ų2461.7 Ų61.712%0.11832%0.315CS..Hα-helixtrans-61.8-49173.4-66.7-74.398.700111.5L3 L51 L52 K57 K58 F59 V64L3-M55 HydrophobicContact CD1-CE 3.1Å; L3-M55 HydrophobicContact CD2-CE 3.6Å; L3-M55 HydrophobicContact CG-CE 3.96Å; L51-M55 HydrophobicContact CD1-CG 4.27Å; L51-M55 HydrophobicContact CG-CG 4.35Å; L51-M55 WeakPolarHBondContact O-CG 3.47Å; L51-M55 PolarHBondContact O-N 2.68Å; L52-M55 PolarHBondContact O-N 3.09Å; M55-K57 VanDerWaalsContact C-N 3.32Å; M55-K57 PolarHBondContact O-N 3.45Å; M55-K58 PolarHBondContact O-N 2.9Å; M55-K58 VanDerWaalsContact O-N 3.1Å; M55-F59 HydrophobicContact CB-CD2 4.28Å; M55-F59 HydrophobicContact CB-CE2 4.35Å; M55-F59 WeakPolarHBondContact O-CD2 3.48Å; M55-F59 PolarHBondContact O-N 3.38Å; M55-F59 HydrophobicContact SD-CE2 3.88Å; M55-V64 HydrophobicContact CB-CB 4.39Å; M55-V64 HydrophobicContact CB-CG1 4.39Å; M55-V64 HydrophobicContact CB-CG2 4.01Å
56E91.4Very high91.2Very high32 Ų3257.9 Ų57.915%0.1530%0.3CS..Hα-helixtrans-62.9-38.6-178.1-70.5-179.7166.700111.5L52 G60 G61 R62 H63 V64 K142L52-E56 WeakPolarHBondContact O-CB 3.4Å; L52-E56 WeakPolarHBondContact O-CG 3.3Å; L52-E56 PolarHBondContact O-N 3.46Å; E56-G60 PolarHBondContact O-N 3.41Å; E56-G61 WeakPolarHBondContact O-CA 3.16Å; E56-G61 PolarHBondContact O-N 3.11Å; E56-R62 WeakPolarHBondContact CG-O 3.41Å; E56-H63 IonicContact OE1-ND1 2.89Å; E56-V64 HydrophobicContact CG-CB 4.19Å; E56-V64 HydrophobicContact CG-CG2 3.95Å; E56-V64 PolarHBondContact OE1-N 3.42Å; E56-V64 VanDerWaalsContact OE1-N 3.08Å; E56-K142 IonicContact OE1-NZ 2.72Å; E56-K142 PolarHBondContact OE1-NZ 3.37Å; E56-K142 IonicContact OE2-NZ 3.84Å; E56-K142 PolarHBondContact OE2-NZ 3.36Å
57K90.8Very high91.5Very high116 Ų11649.8 Ų49.850%0.50427%0.265SS..Hα-helixtrans-60.2-47.3171-73.9172.5-174.3171.10112R53 E54 M55 F59 G60R53-K57 VanDerWaalsContact O-CG 3.29Å; R53-K57 WeakPolarHBondContact O-CG 3.36Å; R53-K57 PolarHBondContact O-N 2.81Å; R53-K57 VanDerWaalsContact O-N 3.14Å; E54-K57 IonicContact OE1-NZ 2.65Å; E54-K57 PolarHBondContact OE1-NZ 3.43Å; M55-K57 VanDerWaalsContact C-N 3.32Å; M55-K57 PolarHBondContact O-N 3.45Å; K57-F59 PolarHBondContact O-N 3.48Å; K57-G60 PolarHBondContact O-N 3.49Å
58K90.4Very high91.8Very high98 Ų9849.1 Ų49.143%0.42626%0.262SS..Hα-helixtrans-67.2-33.8-178.3-72.9-175-178.1-163.60113D2 L3 E54 M55 G60D2-K58 VanDerWaalsContact CB-NZ 3.3Å; L3-K58 HydrophobicContact CD1-CD 4.36Å; E54-K58 WeakPolarHBondContact O-CG 3.29Å; E54-K58 PolarHBondContact O-N 2.83Å; E54-K58 VanDerWaalsContact O-N 3.11Å; M55-K58 PolarHBondContact O-N 2.9Å; M55-K58 VanDerWaalsContact O-N 3.1Å; K58-G60 VanDerWaalsContact C-N 3.3Å; K58-G60 PolarHBondContact O-N 2.8Å
59F89.6Confident92Very high90 Ų9056.3 Ų56.340%0.39529%0.289SS..THydrogen-bonded Turntrans-91.923.3179.7-64.9-64.7000113.7I32 M55 K57 G61 R62 V64I32-F59 HydrophobicContact CD1-CB 3.88Å; I32-F59 HydrophobicContact CD1-CD1 3.82Å; I32-F59 HydrophobicContact CD1-CD2 3.81Å; I32-F59 HydrophobicContact CD1-CE1 4.31Å; I32-F59 HydrophobicContact CD1-CE2 4.31Å; I32-F59 HydrophobicContact CD1-CG 3.56Å; M55-F59 HydrophobicContact CB-CD2 4.28Å; M55-F59 HydrophobicContact CB-CE2 4.35Å; M55-F59 WeakPolarHBondContact O-CD2 3.48Å; M55-F59 PolarHBondContact O-N 3.38Å; M55-F59 HydrophobicContact SD-CE2 3.88Å; K57-F59 PolarHBondContact O-N 3.48Å; F59-G61 PolarHBondContact O-N 3.31Å; F59-R62 HydrophobicContact CB-CB 4.29Å; F59-R62 VanDerWaalsContact O-CG 3.3Å; F59-R62 WeakPolarHBondContact O-CG 3.47Å; F59-R62 PolarHBondContact O-N 3.18Å; F59-V64 HydrophobicContact CD2-CG2 4.21Å
60G89.2Confident92.3Very high71 Ų7154.8 Ų54.873%0.73227%0.265SS*.THydrogen-bonded Turntrans66.535.6173.200000114E56 K57 K58 R62E56-G60 PolarHBondContact O-N 3.41Å; K57-G60 PolarHBondContact O-N 3.49Å; K58-G60 VanDerWaalsContact C-N 3.3Å; K58-G60 PolarHBondContact O-N 2.8Å; G60-R62 VanDerWaalsContact C-N 3.33Å; G60-R62 PolarHBondContact O-N 3.47Å
61G87.4Confident92.7Very high51 Ų5157.6 Ų57.653%0.52627%0.272SS..THydrogen-bonded Turntrans79.68.8179.100000114.9E56 F59E56-G61 WeakPolarHBondContact O-CA 3.16Å; E56-G61 PolarHBondContact O-N 3.11Å; F59-G61 PolarHBondContact O-N 3.31Å
62R93Very high92.9Very high103 Ų10360.4 Ų60.439%0.38929%0.287SS..  trans-67.4131.5170.6-67.1177.7-163.8175.312.2109.6E23 E56 F59 G60E23-R62 IonicContact OE1-CZ 2.91Å; E23-R62 IonicContact OE1-NE 3.28Å; E23-R62 IonicContact OE1-NH1 2.98Å; E23-R62 PolarHBondContact OE1-NH1 3.15Å; E23-R62 IonicContact OE2-NH1 3.79Å; E56-R62 WeakPolarHBondContact CG-O 3.41Å; F59-R62 HydrophobicContact CB-CB 4.29Å; F59-R62 VanDerWaalsContact O-CG 3.3Å; F59-R62 WeakPolarHBondContact O-CG 3.47Å; F59-R62 PolarHBondContact O-N 3.18Å; G60-R62 VanDerWaalsContact C-N 3.33Å; G60-R62 PolarHBondContact O-N 3.47Å
63H93.8Very high93Very high11 Ų1161 Ų615%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-66134.9178.4-70.2-51.9000111.1R29 A31 I32 E56 N141 T145R29-H63 PolarHBondContact NH1-NE2 3.2Å; A31-H63 CarbonylContact C-O 3.53Å; A31-H63 VanDerWaalsContact CA-O 3.3Å; A31-H63 WeakPolarHBondContact CA-O 3.39Å; I32-H63 PolarHBondContact N-O 3.19Å; E56-H63 IonicContact OE1-ND1 2.89Å; H63-N141 PolarHBondContact NE2-O 3.4Å; H63-T145 HydrophobicContact CB-CG2 3.83Å; H63-T145 PolarHBondContact CD2-OG1 3.11Å
64V94.8Very high93.1Very high3 Ų357.9 Ų57.92%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-115.8131.9-179.7-1770000109.6I32 I34 L52 M55 E56 F59I32-V64 HydrophobicContact CB-CG2 4.27Å; I32-V64 HydrophobicContact CD1-CG2 4.48Å; I32-V64 WeakPolarHBondContact O-CA 3.34Å; I34-V64 HydrophobicContact CD1-CG1 3.54Å; I34-V64 HydrophobicContact CG1-CG1 4.01Å; L52-V64 HydrophobicContact CD2-CB 3.87Å; L52-V64 HydrophobicContact CD2-CG1 3.78Å; L52-V64 VanDerWaalsContact CD2-O 3.29Å; L52-V64 WeakPolarHBondContact CD2-O 3.32Å; M55-V64 HydrophobicContact CB-CB 4.39Å; M55-V64 HydrophobicContact CB-CG1 4.39Å; M55-V64 HydrophobicContact CB-CG2 4.01Å; E56-V64 HydrophobicContact CG-CB 4.19Å; E56-V64 HydrophobicContact CG-CG2 3.95Å; E56-V64 PolarHBondContact OE1-N 3.42Å; E56-V64 VanDerWaalsContact OE1-N 3.08Å; F59-V64 HydrophobicContact CD2-CG2 4.21Å
65V95.1Very high93.2Very high5 Ų563.4 Ų63.43%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-125.6128.2179.5-174.50000109.7I32 I33 I34 I67 I106 F146 V149I32-V65 PolarHBondContact O-N 3.23Å; I33-V65 WeakPolarHBondContact CA-O 3.3Å; I34-V65 PolarHBondContact N-O 3.19Å; V65-I67 HydrophobicContact CG1-CD1 4.18Å; V65-I67 HydrophobicContact CG1-CG1 3.93Å; V65-I106 HydrophobicContact CG1-CB 4.36Å; V65-I106 HydrophobicContact CG1-CG1 4.18Å; V65-I106 HydrophobicContact CG1-CG2 4.43Å; V65-F146 HydrophobicContact CG2-CD1 4.46Å; V65-F146 HydrophobicContact CG2-CE1 4.36Å; V65-V149 HydrophobicContact CG2-CG2 4.27Å
66I96.2Very high93.1Very high2 Ų266.1 Ų66.11%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-95.7127.3177.3-63.6174000108.8I34 V36 Y44 Q48 L51 L52I34-I66 HydrophobicContact CB-CG1 4.46Å; V36-I66 HydrophobicContact CB-CG2 4.34Å; V36-I66 HydrophobicContact CG1-CG2 3.68Å; V36-I66 HydrophobicContact CG2-CG2 3.67Å; Y44-I66 HydrophobicContact CD1-CD1 4.06Å; Q48-I66 HydrophobicContact CG-CD1 4.16Å; L51-I66 HydrophobicContact CD2-CD1 3.98Å; L52-I66 HydrophobicContact CD2-CD1 4.07Å; L52-I66 HydrophobicContact CD2-CG1 4.05Å
67I96.6Very high93Very high0 Ų068.2 Ų68.20%035%0.348CS..EExtended strand (participates in β ladder)trans-132.5131.6-178-57.8-176.8000109.5I33 I34 Y35 V36 V65 R69 F102 I106 V149 L153I33-I67 HydrophobicContact CG2-CB 4.36Å; I33-I67 HydrophobicContact CG2-CD1 3.79Å; I33-I67 HydrophobicContact CG2-CG1 4.16Å; I34-I67 PolarHBondContact O-N 3.29Å; Y35-I67 VanDerWaalsContact CA-O 3.3Å; Y35-I67 WeakPolarHBondContact CA-O 3.47Å; V36-I67 PolarHBondContact N-O 3.37Å; V65-I67 HydrophobicContact CG1-CD1 4.18Å; V65-I67 HydrophobicContact CG1-CG1 3.93Å; I67-R69 PolarHBondContact O-N 3.31Å; I67-F102 HydrophobicContact CG2-CD1 3.49Å; I67-F102 VanDerWaalsContact CG2-CD1 3.49Å; I67-F102 HydrophobicContact CG2-CE1 3.63Å; I67-I106 HydrophobicContact CD1-CD1 4.32Å; I67-I106 HydrophobicContact CD1-CG1 3.77Å; I67-I106 HydrophobicContact CG1-CG1 4.3Å; I67-V149 HydrophobicContact CD1-CG1 3.82Å; I67-L153 HydrophobicContact CD1-CD1 3.33Å
68A97.3Very high92.7Very high0 Ų074.3 Ų74.30%037%0.368CS..EExtended strand (participates in β ladder)trans-70.2133173.400000111.7V36 F38 L41 R70 F102 D105V36-A68 HydrophobicContact CG2-CB 4.42Å; V36-A68 CarbonylContact O-C 3.55Å; V36-A68 WeakPolarHBondContact O-CA 3.36Å; F38-A68 HydrophobicContact CB-CB 4.2Å; F38-A68 HydrophobicContact CD2-CB 4.14Å; L41-A68 HydrophobicContact CB-CB 4.2Å; L41-A68 HydrophobicContact CD1-CB 4.04Å; L41-A68 HydrophobicContact CD2-CB 3.86Å; L41-A68 HydrophobicContact CG-CB 4.25Å; A68-R70 PolarHBondContact O-N 3.45Å; A68-R70 PolarHBondContact O-NH1 3.24Å; A68-F102 WeakPolarHBondContact O-CE1 3.38Å; A68-D105 PolarHBondContact N-OD2 3.31Å
69R96.4Very high92.5Very high157 Ų15772.3 Ų72.359%0.59238%0.376SS*.EExtended strand (participates in β ladder)trans-6998.2171.7-170.968.8173.6158.4-0.4109.4L19 V36 I67L19-R69 HydrophobicContact CD1-CB 3.55Å; L19-R69 HydrophobicContact CD1-CG 3.91Å; V36-R69 PolarHBondContact O-N 3.49Å; I67-R69 PolarHBondContact O-N 3.31Å
70R96.2Very high92.2Very high25 Ų2578.2 Ų78.29%0.09440%0.401CS..PPolyproline II helixtrans-98.4140.9177.1-67.6-178.1-176.981.8-10.3111.2F38 A68 V98 E101 F102 D105F38-R70 HydrophobicContact CD2-CG 4.37Å; A68-R70 PolarHBondContact O-N 3.45Å; A68-R70 PolarHBondContact O-NH1 3.24Å; R70-V98 HydrophobicContact CB-CG1 3.76Å; R70-V98 HydrophobicContact CB-CG2 4.08Å; R70-E101 IonicContact CZ-OE2 2.97Å; R70-E101 VanDerWaalsContact NE-CB 3.33Å; R70-E101 IonicContact NE-OE2 2.75Å; R70-E101 IonicContact NH2-OE2 3.73Å; R70-E101 PolarHBondContact NH2-OE2 3.4Å; R70-F102 HydrophobicContact CB-CE1 4.37Å; R70-D105 IonicContact CZ-OD1 3.03Å; R70-D105 IonicContact CZ-OD2 3.06Å; R70-D105 VanDerWaalsContact CZ-OD2 3.28Å; R70-D105 IonicContact NH1-OD1 3.7Å; R70-D105 IonicContact NH1-OD2 3.96Å; R70-D105 PolarHBondContact NH1-OD2 3.03Å; R70-D105 VanDerWaalsContact NH2-CG 3.34Å; R70-D105 IonicContact NH2-OD1 3.98Å; R70-D105 PolarHBondContact NH2-OD1 2.97Å; R70-D105 IonicContact NH2-OD2 2.64Å; R70-D105 PolarHBondContact NH2-OD2 3.48Å
71R95.2Very high91.8Very high176 Ų17681.5 Ų81.566%0.66440%0.402SS*.PPolyproline II helixtrans-93.5118.5177.4-175.2176.8179.1179.80.9110.6L73 R93R71-L73 HydrophobicContact CG-CD2 4.44Å; R71-R93 WeakPolarHBondContact O-CB 3.4Å
72I95.7Very high91.6Very high74 Ų7487 Ų8738%0.37941%0.407SS..PPolyproline II helixtrans-87.3119169.8-58.4172.4000108.1L95 V98I72-L95 HydrophobicContact CG2-CB 4.08Å; I72-V98 HydrophobicContact CD1-CB 4.29Å; I72-V98 HydrophobicContact CD1-CG1 3.99Å; I72-V98 HydrophobicContact CG1-CB 3.87Å; I72-V98 HydrophobicContact CG1-CG1 3.77Å; I72-V98 HydrophobicContact CG1-CG2 3.9Å
73L93.7Very high91.1Very high30 Ų3088 Ų8816%0.15742%0.419CS..PPolyproline II helixtrans-85.9146.3169.3-67.5176.9000109.3R71 R89 R93R71-L73 HydrophobicContact CG-CD2 4.44Å; L73-R89 HydrophobicContact CB-CG 4.08Å; L73-R89 HydrophobicContact CD1-CG 4.25Å; L73-R89 PolarHBondContact O-NE 2.9Å; L73-R89 VanDerWaalsContact O-NE 3.07Å; L73-R89 PolarHBondContact O-NH2 3.14Å; L73-R93 HydrophobicContact CB-CB 4.35Å; L73-R93 HydrophobicContact CD1-CB 4Å; L73-R93 HydrophobicContact CD1-CG 4.5Å; L73-R93 HydrophobicContact CG-CB 3.97Å; L73-R93 PolarHBondContact N-O 3.27Å
74P91.8Very high90.6Very high97 Ų9794.2 Ų94.263%0.6345%0.451SS*.PPolyproline II helixtrans-65.2155.1177.326.6-33.8000111.8R89P74-R89 WeakPolarHBondContact O-CD 3.46Å; P74-R89 PolarHBondContact O-NE 3.08Å
75K91.4Very high90.1Very high166 Ų16698.5 Ų98.572%0.72247%0.473SS*.PPolyproline II helixtrans-67.4132.2171.3-174.5-179.3177.5-177.70108.2T77K75-T77 PolarHBondContact O-N 3.38Å; K75-T77 VanDerWaalsContact O-N 3.17Å
76P89.6Confident89.8Confident82 Ų82108.9 Ų108.953%0.53252%0.518SS..PPolyproline II helixtrans-60.1123175.825.1-33.4000109.3
77T88.4Confident89.5Confident75 Ų75115.4 Ų115.446%0.4655%0.548SS..PPolyproline II helixtrans-82.3154.517846.50000110.4K75 N81K75-T77 PolarHBondContact O-N 3.38Å; K75-T77 VanDerWaalsContact O-N 3.17Å; T77-N81 PolarHBondContact OG1-O 2.96Å
78R85.5Confident89.3Confident244 Ų244124.7 Ų124.792%0.92159%0.589SS**PPolyproline II helixtrans-101.9157.9168.1-63.5-177.4178.3-179.4-1.7108.7
79G85.9Confident89Confident57 Ų57127.1 Ų127.159%0.58860%0.598SS**SBendtrans91.8-160175.800000114.8N81 R82G79-N81 PolarHBondContact O-N 3.33Å; G79-R82 WeakPolarHBondContact O-CB 3.5Å; G79-R82 PolarHBondContact O-N 3.45Å; G79-R82 VanDerWaalsContact O-N 3.1Å
80K83.2Confident89Confident214 Ų214121.9 Ų121.993%0.9358%0.584SS**THydrogen-bonded Turntrans-59.8-30.2-173.9-66.9-177.8178.4-178.70113.6R82K80-R82 PolarHBondContact O-N 3.43Å
81N80.8Confident89Confident139 Ų139130.8 Ų130.874%0.74362%0.617SS**THydrogen-bonded Turntrans-88.521.3179-61.9-13.6000113.1T77 G79 I83T77-N81 PolarHBondContact OG1-O 2.96Å; G79-N81 PolarHBondContact O-N 3.33Å; N81-I83 PolarHBondContact O-N 2.95Å
82R83.7Confident89Confident168 Ų168126 Ų12663%0.63461%0.611SS**  trans-72.7113.9178.5178.1-177.6177.1-174.4-1.3109.7G79 K80 I84G79-R82 WeakPolarHBondContact O-CB 3.5Å; G79-R82 PolarHBondContact O-N 3.45Å; G79-R82 VanDerWaalsContact O-N 3.1Å; K80-R82 PolarHBondContact O-N 3.43Å; R82-I84 PolarHBondContact O-N 2.86Å
83I82.7Confident89Confident124 Ų124127.2 Ų127.264%0.63661%0.611SS**  trans-78.7119165.9-59173.3000107.8N81 L85N81-I83 PolarHBondContact O-N 2.95Å; I83-L85 HydrophobicContact CG2-CD2 4.21Å; I83-L85 PolarHBondContact O-N 2.92Å
84I82.5Confident89.2Confident141 Ų141126.8 Ų126.872%0.72361%0.61SS**  trans-71102175.1-58.2176000108.1R82R82-I84 PolarHBondContact O-N 2.86Å
85L84.1Confident89.4Confident93 Ų93126.2 Ų126.249%0.48760%0.601SS.*  trans-82.8124173.5-63175.2000109.2I83 Q87I83-L85 HydrophobicContact CG2-CD2 4.21Å; I83-L85 PolarHBondContact O-N 2.92Å; L85-Q87 PolarHBondContact O-N 2.88Å
86K89Confident89.6Confident223 Ų223121 Ų12197%0.9759%0.589SS**SBendtrans-62.4-27.5174-65.2-173.2179-175.60112.8
87Q90.8Very high89.9Confident139 Ų139118.4 Ų118.465%0.6557%0.572SS**SBendtrans-127.2149.7-176.565-179.2-1000111.9L85L85-Q87 PolarHBondContact O-N 2.88Å
88K91.1Very high90.4Very high195 Ų195114.8 Ų114.885%0.84855%0.551SS**PPolyproline II helixtrans-63.5137.5174.4-172.5175.3-178.2177.40110.4P90K88-P90 VanDerWaalsContact O-CD 3.32Å; K88-P90 WeakPolarHBondContact O-CD 3.16Å
89R92.2Very high90.9Very high51 Ų51104 Ų10419%0.19251%0.51CS..PPolyproline II helixtrans-63.9119.5172.7179.5-178.3178.7-157.314.6109.7L73 P74 R93 T94L73-R89 HydrophobicContact CB-CG 4.08Å; L73-R89 HydrophobicContact CD1-CG 4.25Å; L73-R89 PolarHBondContact O-NE 2.9Å; L73-R89 VanDerWaalsContact O-NE 3.07Å; L73-R89 PolarHBondContact O-NH2 3.14Å; P74-R89 WeakPolarHBondContact O-CD 3.46Å; P74-R89 PolarHBondContact O-NE 3.08Å; R89-R93 PolarHBondContact NE-O 3.39Å; R89-T94 VanDerWaalsContact NH2-CA 3.34Å
90P95.5Very high91.4Very high46 Ų46106.2 Ų106.230%0.29951%0.505SS..PPolyproline II helixtrans-69.8146.817628.3-34.6000111.2K88 S92 R93K88-P90 VanDerWaalsContact O-CD 3.32Å; K88-P90 WeakPolarHBondContact O-CD 3.16Å; P90-S92 VanDerWaalsContact C-N 3.29Å; P90-S92 PolarHBondContact O-N 2.82Å; P90-R93 HydrophobicContact CG-CB 4.02Å; P90-R93 HydrophobicContact CG-CG 3.82Å; P90-R93 PolarHBondContact O-N 2.91Å; P90-R93 VanDerWaalsContact O-N 3.11Å
91R95.4Very high92.1Very high212 Ų21299 Ų9980%0.848%0.475SS*.G310 helixtrans-61.5-36-178.6-70.8-68.6-109.3-171.8-3.3112.6R93 T94 S97R91-R93 PolarHBondContact O-N 3.1Å; R91-R93 VanDerWaalsContact O-N 3.14Å; R91-T94 WeakPolarHBondContact O-CB 3.36Å; R91-T94 VanDerWaalsContact O-CG2 3.31Å; R91-T94 WeakPolarHBondContact O-CG2 3.4Å; R91-T94 PolarHBondContact O-N 3.11Å; R91-T94 PolarHBondContact O-OG1 2.83Å; R91-S97 VanDerWaalsContact O-CB 3.27Å; R91-S97 WeakPolarHBondContact O-CB 3.42Å
92S96Very high92.8Very high77 Ų7793.3 Ų93.354%0.53844%0.444SS..G310 helixtrans-61.3-18.617656.20000114.5P90P90-S92 VanDerWaalsContact C-N 3.29Å; P90-S92 PolarHBondContact O-N 2.82Å
93R95.8Very high93.4Very high98 Ų9885.4 Ų85.437%0.3741%0.414SS..G310 helixtrans-105.723.1176.4-59.2-175.9-173.31711.3112.4R71 L73 R89 P90 R91R71-R93 WeakPolarHBondContact O-CB 3.4Å; L73-R93 HydrophobicContact CB-CB 4.35Å; L73-R93 HydrophobicContact CD1-CB 4Å; L73-R93 HydrophobicContact CD1-CG 4.5Å; L73-R93 HydrophobicContact CG-CB 3.97Å; L73-R93 PolarHBondContact N-O 3.27Å; R89-R93 PolarHBondContact NE-O 3.39Å; P90-R93 HydrophobicContact CG-CB 4.02Å; P90-R93 HydrophobicContact CG-CG 3.82Å; P90-R93 PolarHBondContact O-N 2.91Å; P90-R93 VanDerWaalsContact O-N 3.11Å; R91-R93 PolarHBondContact O-N 3.1Å; R91-R93 VanDerWaalsContact O-N 3.14Å
94T97Very high94.1Very high22 Ų2281.9 Ų81.914%0.13540%0.397CS..SBendtrans-89.5149.4171.865.70000111.3R89 R91 A96 S97 V98R89-T94 VanDerWaalsContact NH2-CA 3.34Å; R91-T94 WeakPolarHBondContact O-CB 3.36Å; R91-T94 VanDerWaalsContact O-CG2 3.31Å; R91-T94 WeakPolarHBondContact O-CG2 3.4Å; R91-T94 PolarHBondContact O-N 3.11Å; R91-T94 PolarHBondContact O-OG1 2.83Å; T94-A96 VanDerWaalsContact C-N 3.29Å; T94-A96 PolarHBondContact O-N 2.91Å; T94-S97 PolarHBondContact O-N 3.46Å; T94-S97 VanDerWaalsContact OG1-CB 3.31Å; T94-S97 WeakPolarHBondContact OG1-CB 3.42Å; T94-S97 PolarHBondContact OG1-N 3.01Å; T94-V98 WeakPolarHBondContact O-CB 3.44Å; T94-V98 WeakPolarHBondContact O-CG2 3.18Å; T94-V98 PolarHBondContact O-N 3.2Å
95L96.3Very high94.7Very high84 Ų8475.3 Ų75.344%0.4436%0.363SS..Hα-helixtrans-55.6-46.1179.2-176.5155.4000111.3I72 V98 H99I72-L95 HydrophobicContact CG2-CB 4.08Å; L95-V98 PolarHBondContact O-N 3.35Å; L95-H99 WeakPolarHBondContact CG-NE2 3.3Å; L95-H99 WeakPolarHBondContact O-CB 3.21Å; L95-H99 PolarHBondContact O-CD2 3.44Å; L95-H99 VanDerWaalsContact O-CG 3.31Å; L95-H99 PolarHBondContact O-N 2.89Å
96A96Very high95.3Very high56 Ų5671 Ų7146%0.46334%0.34SS..Hα-helixtrans-59.3-51.9179.100000112.1T94 V98 H99 E100T94-A96 VanDerWaalsContact C-N 3.29Å; T94-A96 PolarHBondContact O-N 2.91Å; A96-V98 PolarHBondContact O-N 3.5Å; A96-H99 PolarHBondContact O-N 2.64Å; A96-E100 WeakPolarHBondContact O-CG 3.5Å; A96-E100 PolarHBondContact O-N 3.08Å
97S97.1Very high95.6Very high28 Ų2860.4 Ų60.420%0.19629%0.294CS..Hα-helixtrans-62.1-42.4179177.80000112.1R91 T94 H99 E100 E101R91-S97 VanDerWaalsContact O-CB 3.27Å; R91-S97 WeakPolarHBondContact O-CB 3.42Å; T94-S97 PolarHBondContact O-N 3.46Å; T94-S97 VanDerWaalsContact OG1-CB 3.31Å; T94-S97 WeakPolarHBondContact OG1-CB 3.42Å; T94-S97 PolarHBondContact OG1-N 3.01Å; S97-H99 VanDerWaalsContact C-N 3.33Å; S97-H99 PolarHBondContact O-N 3.32Å; S97-E100 PolarHBondContact O-N 3.36Å; S97-E101 WeakPolarHBondContact O-CB 3.05Å; S97-E101 VanDerWaalsContact O-CG 3.26Å; S97-E101 WeakPolarHBondContact O-CG 3.31Å; S97-E101 PolarHBondContact O-N 3.5Å
98V97.5Very high95.7Very high0 Ų056.1 Ų56.10%027%0.274CS..Hα-helixtrans-65.1-37.2177.6172.30000111.7R70 I72 T94 L95 A96 E101 F102R70-V98 HydrophobicContact CB-CG1 3.76Å; R70-V98 HydrophobicContact CB-CG2 4.08Å; I72-V98 HydrophobicContact CD1-CB 4.29Å; I72-V98 HydrophobicContact CD1-CG1 3.99Å; I72-V98 HydrophobicContact CG1-CB 3.87Å; I72-V98 HydrophobicContact CG1-CG1 3.77Å; I72-V98 HydrophobicContact CG1-CG2 3.9Å; T94-V98 WeakPolarHBondContact O-CB 3.44Å; T94-V98 WeakPolarHBondContact O-CG2 3.18Å; T94-V98 PolarHBondContact O-N 3.2Å; L95-V98 PolarHBondContact O-N 3.35Å; A96-V98 PolarHBondContact O-N 3.5Å; V98-E101 PolarHBondContact O-N 2.91Å; V98-F102 HydrophobicContact CG1-CD2 4.08Å; V98-F102 HydrophobicContact CG1-CE1 4.19Å; V98-F102 HydrophobicContact CG1-CE2 3.62Å; V98-F102 HydrophobicContact CG1-CZ 3.68Å; V98-F102 WeakPolarHBondContact O-CG 3.44Å; V98-F102 PolarHBondContact O-N 2.85Å
99H97.1Very high95.8Very high16 Ų1648.9 Ų48.97%0.07425%0.246CC..Hα-helixtrans-69.6-35.2177.2-77.2-142.4000112.5L95 A96 S97 L103 Y150 T154 K156L95-H99 WeakPolarHBondContact CG-NE2 3.3Å; L95-H99 WeakPolarHBondContact O-CB 3.21Å; L95-H99 PolarHBondContact O-CD2 3.44Å; L95-H99 VanDerWaalsContact O-CG 3.31Å; L95-H99 PolarHBondContact O-N 2.89Å; A96-H99 PolarHBondContact O-N 2.64Å; S97-H99 VanDerWaalsContact C-N 3.33Å; S97-H99 PolarHBondContact O-N 3.32Å; H99-L103 PolarHBondContact O-N 2.81Å; H99-Y150 WeakPolarHBondContact O-CE2 3.35Å; H99-Y150 PolarHBondContact O-OH 3.24Å; H99-T154 HydrophobicContact CB-CG2 4.49Å; H99-T154 VanDerWaalsContact CE1-CB 3.45Å; H99-T154 WeakPolarHBondContact CE1-CB 3.36Å; H99-T154 WeakPolarHBondContact ND1-CB 3.08Å; H99-T154 WeakPolarHBondContact ND1-CG2 3.36Å; H99-K156 PolarHBondContact ND1-NZ 2.85Å
100E96.2Very high95.9Very high104 Ų10446.6 Ų46.649%0.48624%0.239SC..Hα-helixtrans-66-42.1172.8-74.2167.5-17200111.1A96 S97 L103 N104A96-E100 WeakPolarHBondContact O-CG 3.5Å; A96-E100 PolarHBondContact O-N 3.08Å; S97-E100 PolarHBondContact O-N 3.36Å; E100-L103 WeakPolarHBondContact O-CB 3.5Å; E100-L103 PolarHBondContact O-N 2.91Å; E100-N104 PolarHBondContact O-N 3.33Å
101E96.8Very high95.8Very high64 Ų6451.1 Ų51.130%0.29926%0.256SS..Hα-helixtrans-67.9-34.1178-77.8-62.9127.600113.5R70 S97 V98 L103 N104 D105R70-E101 IonicContact CZ-OE2 2.97Å; R70-E101 VanDerWaalsContact NE-CB 3.33Å; R70-E101 IonicContact NE-OE2 2.75Å; R70-E101 IonicContact NH2-OE2 3.73Å; R70-E101 PolarHBondContact NH2-OE2 3.4Å; S97-E101 WeakPolarHBondContact O-CB 3.05Å; S97-E101 VanDerWaalsContact O-CG 3.26Å; S97-E101 WeakPolarHBondContact O-CG 3.31Å; S97-E101 PolarHBondContact O-N 3.5Å; V98-E101 PolarHBondContact O-N 2.91Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.04Å; E101-N104 PolarHBondContact O-N 3.03Å; E101-D105 PolarHBondContact O-N 2.81Å; E101-D105 VanDerWaalsContact O-N 3.08Å
102F96.9Very high95.8Very high19 Ų1942.7 Ų42.78%0.08323%0.226CC..Hα-helixtrans-62.5-38.4170.7-74.2-28.3000112.1I67 A68 R70 V98 N104 D105 I106 Y150 T154I67-F102 HydrophobicContact CG2-CD1 3.49Å; I67-F102 VanDerWaalsContact CG2-CD1 3.49Å; I67-F102 HydrophobicContact CG2-CE1 3.63Å; A68-F102 WeakPolarHBondContact O-CE1 3.38Å; R70-F102 HydrophobicContact CB-CE1 4.37Å; V98-F102 HydrophobicContact CG1-CD2 4.08Å; V98-F102 HydrophobicContact CG1-CE1 4.19Å; V98-F102 HydrophobicContact CG1-CE2 3.62Å; V98-F102 HydrophobicContact CG1-CZ 3.68Å; V98-F102 WeakPolarHBondContact O-CG 3.44Å; V98-F102 PolarHBondContact O-N 2.85Å; F102-N104 VanDerWaalsContact C-N 3.35Å; F102-N104 PolarHBondContact O-N 2.94Å; F102-D105 PolarHBondContact O-N 2.73Å; F102-I106 WeakPolarHBondContact O-CB 3.24Å; F102-I106 VanDerWaalsContact O-CD1 3.29Å; F102-I106 WeakPolarHBondContact O-CD1 3.22Å; F102-I106 WeakPolarHBondContact O-CG1 3.41Å; F102-I106 PolarHBondContact O-N 3.34Å; F102-Y150 HydrophobicContact CB-CE2 4.45Å; F102-T154 HydrophobicContact CD2-CG2 4.29Å
103L96.2Very high95.8Very high2 Ų243.6 Ų43.61%0.0123%0.228CC..Hα-helixtrans-59.5-48.9174.5-70.8167.5000110.6H99 E100 E101 D105 I106 V107 I112 L127 V129 Y150 V158 F160H99-L103 PolarHBondContact O-N 2.81Å; E100-L103 WeakPolarHBondContact O-CB 3.5Å; E100-L103 PolarHBondContact O-N 2.91Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.04Å; L103-D105 VanDerWaalsContact C-N 3.27Å; L103-D105 PolarHBondContact O-N 2.98Å; L103-I106 PolarHBondContact O-N 3.47Å; L103-V107 WeakPolarHBondContact O-CG2 3.27Å; L103-V107 PolarHBondContact O-N 2.88Å; L103-V107 VanDerWaalsContact O-N 3.11Å; L103-I112 HydrophobicContact CB-CD1 3.78Å; L103-L127 HydrophobicContact CD1-CD2 3.74Å; L103-V129 HydrophobicContact CD1-CG2 4.38Å; L103-V129 HydrophobicContact CD2-CG2 4.47Å; L103-Y150 HydrophobicContact CD1-CE2 4.2Å; L103-Y150 HydrophobicContact CD2-CD1 4.16Å; L103-Y150 HydrophobicContact CD2-CD2 3.41Å; L103-Y150 VanDerWaalsContact CD2-CD2 3.41Å; L103-Y150 HydrophobicContact CD2-CE1 4.14Å; L103-Y150 HydrophobicContact CD2-CE2 3.43Å; L103-Y150 VanDerWaalsContact CD2-CE2 3.43Å; L103-Y150 HydrophobicContact CD2-CG 3.77Å; L103-Y150 HydrophobicContact CG-CD2 3.88Å; L103-Y150 HydrophobicContact CG-CE2 3.41Å; L103-Y150 VanDerWaalsContact CG-CE2 3.41Å; L103-V158 HydrophobicContact CD2-CG1 4.47Å; L103-V158 HydrophobicContact CD2-CG2 4.26Å; L103-F160 HydrophobicContact CD2-CE1 4.38Å; L103-F160 HydrophobicContact CD2-CZ 4.16Å
104N96.1Very high95.7Very high50 Ų5040 Ų4027%0.26722%0.222SC..Hα-helixtrans-59.4-36.7-179.2-64.1-19.6000112.7E100 E101 F102 I112E100-N104 PolarHBondContact O-N 3.33Å; E101-N104 PolarHBondContact O-N 3.03Å; F102-N104 VanDerWaalsContact C-N 3.35Å; F102-N104 PolarHBondContact O-N 2.94Å; N104-I112 WeakPolarHBondContact OD1-CD1 3.45Å
105D96.1Very high95.7Very high2 Ų243.4 Ų43.41%0.01124%0.235CC..Hα-helixtrans-72.3-40.4176.8-75.13.9000112.6L41 R45 A68 R70 E101 F102 L103L41-D105 VanDerWaalsContact CD2-OD1 3.32Å; L41-D105 WeakPolarHBondContact CD2-OD1 3.41Å; R45-D105 IonicContact NH2-OD1 2.8Å; R45-D105 PolarHBondContact NH2-OD1 2.94Å; A68-D105 PolarHBondContact N-OD2 3.31Å; R70-D105 IonicContact CZ-OD1 3.03Å; R70-D105 IonicContact CZ-OD2 3.06Å; R70-D105 VanDerWaalsContact CZ-OD2 3.28Å; R70-D105 IonicContact NH1-OD1 3.7Å; R70-D105 IonicContact NH1-OD2 3.96Å; R70-D105 PolarHBondContact NH1-OD2 3.03Å; R70-D105 VanDerWaalsContact NH2-CG 3.34Å; R70-D105 IonicContact NH2-OD1 3.98Å; R70-D105 PolarHBondContact NH2-OD1 2.97Å; R70-D105 IonicContact NH2-OD2 2.64Å; R70-D105 PolarHBondContact NH2-OD2 3.48Å; E101-D105 PolarHBondContact O-N 2.81Å; E101-D105 VanDerWaalsContact O-N 3.08Å; F102-D105 PolarHBondContact O-N 2.73Å; L103-D105 VanDerWaalsContact C-N 3.27Å; L103-D105 PolarHBondContact O-N 2.98Å
106I95.9Very high95.6Very high2 Ų247.2 Ų47.21%0.0124%0.244CC..Hα-helixtrans-64.9-42.5-177.4-70.4163000111V65 I67 F102 L103 F108 F146 V149 Y150 L153V65-I106 HydrophobicContact CG1-CB 4.36Å; V65-I106 HydrophobicContact CG1-CG1 4.18Å; V65-I106 HydrophobicContact CG1-CG2 4.43Å; I67-I106 HydrophobicContact CD1-CD1 4.32Å; I67-I106 HydrophobicContact CD1-CG1 3.77Å; I67-I106 HydrophobicContact CG1-CG1 4.3Å; F102-I106 WeakPolarHBondContact O-CB 3.24Å; F102-I106 VanDerWaalsContact O-CD1 3.29Å; F102-I106 WeakPolarHBondContact O-CD1 3.22Å; F102-I106 WeakPolarHBondContact O-CG1 3.41Å; F102-I106 PolarHBondContact O-N 3.34Å; L103-I106 PolarHBondContact O-N 3.47Å; I106-F108 VanDerWaalsContact C-N 3.33Å; I106-F146 HydrophobicContact CG2-CB 3.52Å; I106-F146 HydrophobicContact CG2-CD1 3.44Å; I106-F146 VanDerWaalsContact CG2-CD1 3.44Å; I106-F146 HydrophobicContact CG2-CE1 4.3Å; I106-F146 HydrophobicContact CG2-CG 3.63Å; I106-F146 WeakPolarHBondContact O-CD1 3.45Å; I106-F146 WeakPolarHBondContact O-CE1 3.49Å; I106-V149 HydrophobicContact CD1-CG1 3.83Å; I106-V149 HydrophobicContact CG1-CG1 3.94Å; I106-Y150 HydrophobicContact CD1-CD2 3.89Å; I106-Y150 HydrophobicContact CD1-CG 4.49Å; I106-L153 HydrophobicContact CD1-CD1 4.16Å
107V95.1Very high95.6Very high1 Ų148.4 Ų48.41%0.00625%0.245CC..Hα-helixtrans-84.3-7.4-172.9-58.70000113.8L103 A110 I112 L131 F146 F160L103-V107 WeakPolarHBondContact O-CG2 3.27Å; L103-V107 PolarHBondContact O-N 2.88Å; L103-V107 VanDerWaalsContact O-N 3.11Å; V107-A110 WeakPolarHBondContact CG2-O 3.4Å; V107-A110 WeakPolarHBondContact O-CA 3.47Å; V107-A110 VanDerWaalsContact O-CB 3.32Å; V107-A110 WeakPolarHBondContact O-CB 3.49Å; V107-A110 PolarHBondContact O-N 3.08Å; V107-I112 HydrophobicContact CG2-CD1 4.07Å; V107-I112 HydrophobicContact CG2-CG1 3.74Å; V107-L131 HydrophobicContact CB-CD2 3.91Å; V107-L131 HydrophobicContact CG1-CD1 4.5Å; V107-L131 HydrophobicContact CG1-CD2 3.86Å; V107-L131 HydrophobicContact CG2-CD2 4.09Å; V107-F146 HydrophobicContact CG1-CD2 4.32Å; V107-F160 HydrophobicContact CG1-CD1 3.93Å; V107-F160 HydrophobicContact CG1-CE1 3.33Å; V107-F160 HydrophobicContact CG1-CZ 3.95Å
108F93.7Very high95.6Very high50 Ų5053.8 Ų53.822%0.21926%0.261CS..THydrogen-bonded Turntrans-55.1131.7180-175.7-83000110.7R45 Q48 I106R45-F108 HydrophobicContact CB-CE1 4.35Å; R45-F108 HydrophobicContact CB-CE2 3.92Å; R45-F108 HydrophobicContact CB-CZ 3.77Å; R45-F108 HydrophobicContact CG-CD2 3.96Å; R45-F108 HydrophobicContact CG-CE1 4.37Å; R45-F108 HydrophobicContact CG-CE2 3.76Å; R45-F108 HydrophobicContact CG-CG 4.35Å; R45-F108 HydrophobicContact CG-CZ 3.97Å; R45-F108 WeakPolarHBondContact O-CZ 3.36Å; Q48-F108 HydrophobicContact CB-CD1 4.23Å; Q48-F108 HydrophobicContact CB-CE1 3.83Å; Q48-F108 HydrophobicContact CG-CD1 3.84Å; Q48-F108 HydrophobicContact CG-CE1 3.96Å; I106-F108 VanDerWaalsContact C-N 3.33Å
109P92.8Very high95.5Very high42 Ų4258.3 Ų58.327%0.27329%0.288SS..THydrogen-bonded Turncis-82.4-10.115.631.1-33.9000115.9Q135P109-Q135 VanDerWaalsContact CB-OE1 3.25Å; P109-Q135 VanDerWaalsContact CG-OE1 3.32Å; P109-Q135 VanDerWaalsContact O-CD 3.32Å; P109-Q135 PolarHBondContact O-NE2 3.43Å; P109-Q135 PolarHBondContact O-OE1 3.04Å
110A94.2Very high95.4Very high4 Ų462 Ų623%0.03330%0.302CS..SBendtrans-68.1137.4-17400000111.3V107 L131 Q135 V139V107-A110 WeakPolarHBondContact CG2-O 3.4Å; V107-A110 WeakPolarHBondContact O-CA 3.47Å; V107-A110 VanDerWaalsContact O-CB 3.32Å; V107-A110 WeakPolarHBondContact O-CB 3.49Å; V107-A110 PolarHBondContact O-N 3.08Å; A110-L131 HydrophobicContact CB-CB 4.49Å; A110-L131 HydrophobicContact CB-CD1 4.43Å; A110-Q135 HydrophobicContact CB-CB 4.13Å; A110-V139 HydrophobicContact CB-CB 4.48Å; A110-V139 HydrophobicContact CB-CG1 3.96Å; A110-V139 HydrophobicContact CB-CG2 3.92Å
111E93.4Very high95.4Very high141 Ų14166.2 Ų66.266%0.65933%0.326SS*.  trans-92.1146.5175.1-62.5-167.3164.400110.3V113 L131 D132E111-V113 PolarHBondContact O-N 3.41Å; E111-L131 WeakPolarHBondContact O-CA 3.31Å; E111-D132 PolarHBondContact O-N 3.03Å
112I95.9Very high95.3Very high35 Ų3568.9 Ų68.918%0.17934%0.343CS..EExtended strand (participates in β ladder)trans-86.8112176.6-57.8177000108.2L103 N104 V107 G114 K115 V129 F130 L131L103-I112 HydrophobicContact CB-CD1 3.78Å; N104-I112 WeakPolarHBondContact OD1-CD1 3.45Å; V107-I112 HydrophobicContact CG2-CD1 4.07Å; V107-I112 HydrophobicContact CG2-CG1 3.74Å; I112-G114 VanDerWaalsContact CG2-O 3.29Å; I112-G114 WeakPolarHBondContact CG2-O 3.29Å; I112-K115 HydrophobicContact CG2-CD 4.33Å; I112-K115 HydrophobicContact CG2-CG 3.75Å; I112-V129 HydrophobicContact CB-CG1 4.3Å; I112-V129 HydrophobicContact CD1-CG1 3.77Å; I112-V129 HydrophobicContact CG1-CG1 3.81Å; I112-V129 HydrophobicContact CG2-CG1 3.59Å; I112-F130 CarbonylContact C-O 3.56Å; I112-F130 WeakPolarHBondContact CA-O 3.27Å; I112-L131 HydrophobicContact CG1-CD2 3.97Å
113V94.9Very high95.2Very high95 Ų9570.3 Ų70.358%0.57636%0.362SS*.EExtended strand (participates in β ladder)trans-78.6-33.3177.9-177.90000111.2E111 F130 D132E111-V113 PolarHBondContact O-N 3.41Å; V113-F130 PolarHBondContact N-O 3.06Å; V113-D132 HydrophobicContact CG2-CB 3.87Å
114G94.9Very high95.1Very high24 Ų2471.8 Ų71.825%0.24737%0.373CS..EExtended strand (participates in β ladder)trans-159.2161.4-176.500000113.4I112 F130I112-G114 VanDerWaalsContact CG2-O 3.29Å; I112-G114 WeakPolarHBondContact CG2-O 3.29Å; G114-F130 PolarHBondContact N-O 2.64Å; G114-F130 PolarHBondContact O-N 2.84Å
115K95.8Very high95.1Very high92 Ų9278.1 Ų78.140%0.439%0.393SS..EExtended strand (participates in β ladder)trans-139133.2175.8-61178-169.2172.40109.3I112 L127 K128I112-K115 HydrophobicContact CG2-CD 4.33Å; I112-K115 HydrophobicContact CG2-CG 3.75Å; K115-L127 HydrophobicContact CB-CD1 4.35Å; K115-K128 CarbonylContact C-O 3.6Å; K115-K128 WeakPolarHBondContact CA-O 3.13Å
116R95.6Very high95.1Very high165 Ų16578.9 Ų78.962%0.62340%0.397SS*.EExtended strand (participates in β ladder)trans-129125.7174179.5177.2179.4175.31.4109.2K128 F130R116-K128 HydrophobicContact CB-CB 4.32Å; R116-K128 PolarHBondContact N-O 2.82Å; R116-K128 WeakPolarHBondContact O-CA 3.29Å; R116-K128 WeakPolarHBondContact O-CB 3.19Å; R116-K128 PolarHBondContact O-N 3.17Å; R116-F130 HydrophobicContact CB-CE2 3.99Å
117T96Very high95.1Very high80 Ų8080.1 Ų80.149%0.49140%0.404SS..EExtended strand (participates in β ladder)trans-95.2116.5170.5-56.90000108.6R125 L127T117-R125 HydrophobicContact CG2-CB 4.18Å; T117-L127 WeakPolarHBondContact OG1-CD1 3.19Å
118R95.6Very high95.1Very high142 Ų14282.2 Ų82.254%0.53641%0.413SS..EExtended strand (participates in β ladder)trans-88.8122.3169-177179.5-177.7-177.31.7108.3R125 L126R118-R125 WeakPolarHBondContact O-CA 3.42Å; R118-L126 HydrophobicContact CB-CB 4.42Å; R118-L126 PolarHBondContact N-O 3.24Å; R118-L126 PolarHBondContact O-N 2.96Å
119V96.5Very high95.3Very high94 Ų9479.9 Ų79.957%0.5740%0.402SS*.EExtended strand (participates in β ladder)trans-93.9120.4168.1-174.30000106.8R125V119-R125 HydrophobicContact CG2-CG 4.43Å
120R94.8Very high95.4Very high94 Ų9480.2 Ų80.236%0.35540%0.4SS..PPolyproline II helixtrans-83.6167177.5-65.4-169.8-166.6126.7-6.5110D122 G123 S124 E157R120-D122 WeakPolarHBondContact CB-OD1 3.47Å; R120-D122 PolarHBondContact O-N 3.46Å; R120-G123 PolarHBondContact O-N 3.35Å; R120-S124 WeakPolarHBondContact CD-OG 3.24Å; R120-S124 PolarHBondContact N-O 3.32Å; R120-S124 PolarHBondContact NH1-OG 3.43Å; R120-E157 IonicContact NH1-OE2 3.19Å
121L96.2Very high95.5Very high192 Ų19280 Ų80100%1.00540%0.398SS*.THydrogen-bonded Turntrans-63.1-27.9-177.9-66.8173.5000113.2G123L121-G123 PolarHBondContact O-N 3.4Å
122D95.7Very high95.5Very high121 Ų12175.2 Ų75.265%0.64738%0.377SS*.THydrogen-bonded Turntrans-76.7-1.117466.4-15.1000113.5R120 S124R120-D122 WeakPolarHBondContact CB-OD1 3.47Å; R120-D122 PolarHBondContact O-N 3.46Å; D122-S124 VanDerWaalsContact C-N 3.27Å; D122-S124 VanDerWaalsContact CG-OG 3.25Å; D122-S124 PolarHBondContact O-N 2.91Å; D122-S124 WeakPolarHBondContact OD1-CB 3.29Å; D122-S124 PolarHBondContact OD1-N 3.41Å; D122-S124 PolarHBondContact OD1-OG 3.21Å; D122-S124 WeakPolarHBondContact OD2-CB 3.43Å; D122-S124 PolarHBondContact OD2-OG 2.98Å; D122-S124 VanDerWaalsContact OD2-OG 3.04Å
123G94Very high95.3Very high48 Ų4879.8 Ų79.850%0.49539%0.392SS..SBendtrans82.7-4.6-175.800000114.6R120 L121R120-G123 PolarHBondContact O-N 3.35Å; L121-G123 PolarHBondContact O-N 3.4Å
124S94.8Very high95.2Very high33 Ų3381.7 Ų81.723%0.23140%0.399CS..  trans-65.4147.3174.770.80000110.6R120 D122R120-S124 WeakPolarHBondContact CD-OG 3.24Å; R120-S124 PolarHBondContact N-O 3.32Å; R120-S124 PolarHBondContact NH1-OG 3.43Å; D122-S124 VanDerWaalsContact C-N 3.27Å; D122-S124 VanDerWaalsContact CG-OG 3.25Å; D122-S124 PolarHBondContact O-N 2.91Å; D122-S124 WeakPolarHBondContact OD1-CB 3.29Å; D122-S124 PolarHBondContact OD1-N 3.41Å; D122-S124 PolarHBondContact OD1-OG 3.21Å; D122-S124 WeakPolarHBondContact OD2-CB 3.43Å; D122-S124 PolarHBondContact OD2-OG 2.98Å; D122-S124 VanDerWaalsContact OD2-OG 3.04Å
125R95.1Very high94.9Very high184 Ų18482.4 Ų82.469%0.69440%0.396SS*.EExtended strand (participates in β ladder)trans-115124.6-177.7-60.1-173.8-173.4-174.91.2109.8T117 R118 V119T117-R125 HydrophobicContact CG2-CB 4.18Å; R118-R125 WeakPolarHBondContact O-CA 3.42Å; V119-R125 HydrophobicContact CG2-CG 4.43Å
126L95.7Very high94.7Very high18 Ų1880.7 Ų80.79%0.09439%0.39CS..EExtended strand (participates in β ladder)trans-109.5119172.2-173.574.8000108.9R118 K128 E157 T159R118-L126 HydrophobicContact CB-CB 4.42Å; R118-L126 PolarHBondContact N-O 3.24Å; R118-L126 PolarHBondContact O-N 2.96Å; L126-K128 HydrophobicContact CD2-CG 4.48Å; L126-E157 HydrophobicContact CD1-CB 4.06Å; L126-T159 HydrophobicContact CD1-CG2 3.99Å; L126-T159 HydrophobicContact CD2-CG2 4.34Å; L126-T159 HydrophobicContact CG-CG2 4.43Å
127L96.6Very high94.5Very high27 Ų2778.7 Ų78.714%0.14140%0.396CS..EExtended strand (participates in β ladder)trans-91.4107.9176176.865.5000109.8L103 K115 T117 V129 E157 V158 T159L103-L127 HydrophobicContact CD1-CD2 3.74Å; K115-L127 HydrophobicContact CB-CD1 4.35Å; T117-L127 WeakPolarHBondContact OG1-CD1 3.19Å; L127-V129 HydrophobicContact CD2-CG2 4.24Å; L127-V129 HydrophobicContact CG-CG2 3.95Å; L127-E157 PolarHBondContact N-O 3.39Å; L127-E157 VanDerWaalsContact N-O 3.07Å; L127-V158 HydrophobicContact CB-CG2 3.74Å; L127-V158 HydrophobicContact CD2-CG2 3.74Å; L127-V158 HydrophobicContact CG-CG2 3.95Å; L127-V158 CarbonylContact O-C 3.58Å; L127-V158 WeakPolarHBondContact O-CA 3.33Å; L127-T159 PolarHBondContact O-N 3.31Å
128K96.1Very high94.1Very high46 Ų4680.5 Ų80.520%0.240%0.399CS..EExtended strand (participates in β ladder)trans-84.6123.7170.9-63.4-175.1159.3-117.10109.5K115 R116 L126 T159 E161K115-K128 CarbonylContact C-O 3.6Å; K115-K128 WeakPolarHBondContact CA-O 3.13Å; R116-K128 HydrophobicContact CB-CB 4.32Å; R116-K128 PolarHBondContact N-O 2.82Å; R116-K128 WeakPolarHBondContact O-CA 3.29Å; R116-K128 WeakPolarHBondContact O-CB 3.19Å; R116-K128 PolarHBondContact O-N 3.17Å; L126-K128 HydrophobicContact CD2-CG 4.48Å; K128-T159 CarbonylContact C-O 3.47Å; K128-T159 WeakPolarHBondContact CA-O 3.31Å; K128-E161 IonicContact NZ-OE1 3.44Å; K128-E161 PolarHBondContact NZ-OE1 3.28Å; K128-E161 IonicContact NZ-OE2 3.58Å; K128-E161 PolarHBondContact NZ-OE2 2.87Å
129V96.9Very high94Very high0 Ų073.9 Ų73.90%038%0.375CS..EExtended strand (participates in β ladder)trans-115.6123.3-179.4178.90000108.2L103 I112 L127 L131 V158 T159 F160 E161L103-V129 HydrophobicContact CD1-CG2 4.38Å; L103-V129 HydrophobicContact CD2-CG2 4.47Å; I112-V129 HydrophobicContact CB-CG1 4.3Å; I112-V129 HydrophobicContact CD1-CG1 3.77Å; I112-V129 HydrophobicContact CG1-CG1 3.81Å; I112-V129 HydrophobicContact CG2-CG1 3.59Å; L127-V129 HydrophobicContact CD2-CG2 4.24Å; L127-V129 HydrophobicContact CG-CG2 3.95Å; V129-L131 HydrophobicContact CG1-CD2 4.11Å; V129-V158 HydrophobicContact CG2-CG1 3.95Å; V129-T159 PolarHBondContact N-O 3.43Å; V129-F160 HydrophobicContact CB-CD1 3.69Å; V129-F160 HydrophobicContact CB-CE1 3.88Å; V129-F160 HydrophobicContact CG1-CD1 3.8Å; V129-F160 HydrophobicContact CG1-CE1 3.85Å; V129-F160 HydrophobicContact CG2-CD1 4.49Å; V129-F160 HydrophobicContact CG2-CE1 4.25Å; V129-F160 WeakPolarHBondContact O-CA 3.39Å; V129-E161 PolarHBondContact O-N 3.23Å
130F95.7Very high93.8Very high50 Ų5074.4 Ų74.422%0.21937%0.371CS..EExtended strand (participates in β ladder)trans-95.1120.3178.9-60.1-73.8000109.7I112 V113 G114 R116 E161I112-F130 CarbonylContact C-O 3.56Å; I112-F130 WeakPolarHBondContact CA-O 3.27Å; V113-F130 PolarHBondContact N-O 3.06Å; G114-F130 PolarHBondContact N-O 2.64Å; G114-F130 PolarHBondContact O-N 2.84Å; R116-F130 HydrophobicContact CB-CE2 3.99Å; F130-E161 CarbonylContact C-O 3.57Å; F130-E161 VanDerWaalsContact CA-O 3.26Å; F130-E161 WeakPolarHBondContact CA-O 3.49Å; F130-E161 HydrophobicContact CD1-CB 4.09Å; F130-E161 HydrophobicContact CE1-CB 4.17Å
131L95.9Very high93.6Very high0 Ų074.8 Ų74.80%038%0.38CS..EExtended strand (participates in β ladder)trans-96.6154.7179-59.4-178.1000111.3V107 A110 E111 I112 V129 R133 V139 L143 F160 E161 F162 P163V107-L131 HydrophobicContact CB-CD2 3.91Å; V107-L131 HydrophobicContact CG1-CD1 4.5Å; V107-L131 HydrophobicContact CG1-CD2 3.86Å; V107-L131 HydrophobicContact CG2-CD2 4.09Å; A110-L131 HydrophobicContact CB-CB 4.49Å; A110-L131 HydrophobicContact CB-CD1 4.43Å; E111-L131 WeakPolarHBondContact O-CA 3.31Å; I112-L131 HydrophobicContact CG1-CD2 3.97Å; V129-L131 HydrophobicContact CG1-CD2 4.11Å; L131-R133 PolarHBondContact O-N 3.43Å; L131-V139 HydrophobicContact CD1-CG2 4.47Å; L131-L143 HydrophobicContact CD1-CD2 3.8Å; L131-F160 HydrophobicContact CD1-CB 4.19Å; L131-F160 HydrophobicContact CD1-CD1 4.1Å; L131-F160 HydrophobicContact CD1-CG 4.44Å; L131-F160 HydrophobicContact CD2-CD1 4.15Å; L131-F160 HydrophobicContact CG-CD1 4.2Å; L131-E161 PolarHBondContact N-O 2.98Å; L131-F162 HydrophobicContact CB-CD1 3.95Å; L131-F162 HydrophobicContact CB-CE1 3.64Å; L131-F162 HydrophobicContact CB-CZ 4.38Å; L131-F162 HydrophobicContact CD1-CE1 4.41Å; L131-F162 HydrophobicContact CD1-CZ 4.37Å; L131-P163 WeakPolarHBondContact O-CD 3.19Å
132D93.7Very high93.5Very high40 Ų4067 Ų6721%0.21434%0.338CS..PPolyproline II helixtrans-64.4129.1174.4-175.617.2000111.2E111 V113 N134 Q135 F162E111-D132 PolarHBondContact O-N 3.03Å; V113-D132 HydrophobicContact CG2-CB 3.87Å; D132-N134 VanDerWaalsContact C-N 3.27Å; D132-N134 PolarHBondContact O-N 3.14Å; D132-N134 PolarHBondContact OD1-N 2.91Å; D132-N134 PolarHBondContact OD1-ND2 2.97Å; D132-N134 WeakPolarHBondContact OD2-CB 3.27Å; D132-N134 PolarHBondContact OD2-ND2 3.42Å; D132-Q135 PolarHBondContact O-N 3.32Å; D132-F162 WeakPolarHBondContact O-CE1 3.32Å
133R91.7Very high93.4Very high130 Ų13062.8 Ų62.849%0.49132%0.315SS..G310 helixtrans-68.6-26.2-176.4-165.7175.9-174.2-171.73.2112.3L131 Q135 M136 V165L131-R133 PolarHBondContact O-N 3.43Å; R133-Q135 PolarHBondContact O-N 2.96Å; R133-Q135 VanDerWaalsContact O-N 3.09Å; R133-M136 HydrophobicContact CG-SD 4.46Å; R133-M136 WeakPolarHBondContact O-CB 3.37Å; R133-M136 PolarHBondContact O-N 3Å; R133-M136 VanDerWaalsContact O-N 3.07Å; R133-V165 VanDerWaalsContact NH1-CG2 3.3Å
134N91.6Very high93.4Very high136 Ų13666.2 Ų66.273%0.72732%0.322SS*.G310 helixtrans-59.5-24.5178.5-62.1-41000113D132D132-N134 VanDerWaalsContact C-N 3.27Å; D132-N134 PolarHBondContact O-N 3.14Å; D132-N134 PolarHBondContact OD1-N 2.91Å; D132-N134 PolarHBondContact OD1-ND2 2.97Å; D132-N134 WeakPolarHBondContact OD2-CB 3.27Å; D132-N134 PolarHBondContact OD2-ND2 3.42Å
135Q89.3Confident93.4Very high39 Ų3964.9 Ų64.918%0.18231%0.313CS..G310 helixtrans-104.36.1-177.9-55.9-161.32500113.6P109 A110 D132 R133 T137 Q138 V139P109-Q135 VanDerWaalsContact CB-OE1 3.25Å; P109-Q135 VanDerWaalsContact CG-OE1 3.32Å; P109-Q135 VanDerWaalsContact O-CD 3.32Å; P109-Q135 PolarHBondContact O-NE2 3.43Å; P109-Q135 PolarHBondContact O-OE1 3.04Å; A110-Q135 HydrophobicContact CB-CB 4.13Å; D132-Q135 PolarHBondContact O-N 3.32Å; R133-Q135 PolarHBondContact O-N 2.96Å; R133-Q135 VanDerWaalsContact O-N 3.09Å; Q135-T137 VanDerWaalsContact C-N 3.29Å; Q135-T137 PolarHBondContact O-N 2.85Å; Q135-Q138 PolarHBondContact O-N 3.12Å; Q135-V139 VanDerWaalsContact O-CG2 3.24Å; Q135-V139 WeakPolarHBondContact O-CG2 3.26Å; Q135-V139 PolarHBondContact O-N 3.26Å
136M90.8Very high93.4Very high55 Ų5556.5 Ų56.527%0.27128%0.281SS..Hα-helixtrans-49.4-48.7-174.9179.7173177.700112.5R133 Q138 V139 E140 F162R133-M136 HydrophobicContact CG-SD 4.46Å; R133-M136 WeakPolarHBondContact O-CB 3.37Å; R133-M136 PolarHBondContact O-N 3Å; R133-M136 VanDerWaalsContact O-N 3.07Å; M136-Q138 PolarHBondContact O-N 2.98Å; M136-Q138 VanDerWaalsContact O-N 3.09Å; M136-V139 PolarHBondContact O-N 2.93Å; M136-E140 VanDerWaalsContact CE-OE1 3.31Å; M136-E140 WeakPolarHBondContact CE-OE1 3.32Å; M136-E140 HydrophobicContact CG-CB 4.45Å; M136-E140 WeakPolarHBondContact O-CB 3.31Å; M136-E140 PolarHBondContact O-N 2.95Å; M136-F162 HydrophobicContact CB-CD1 4.17Å; M136-F162 HydrophobicContact CB-CD2 4.49Å; M136-F162 HydrophobicContact CB-CE1 3.9Å; M136-F162 HydrophobicContact CB-CE2 4.24Å; M136-F162 HydrophobicContact CB-CG 4.46Å; M136-F162 HydrophobicContact CB-CZ 3.97Å; M136-F162 HydrophobicContact CE-CD2 4.31Å; M136-F162 HydrophobicContact CG-CD1 4.42Å; M136-F162 HydrophobicContact CG-CD2 3.87Å; M136-F162 HydrophobicContact CG-CE1 4.27Å; M136-F162 HydrophobicContact CG-CE2 3.71Å; M136-F162 HydrophobicContact CG-CG 4.24Å; M136-F162 HydrophobicContact CG-CZ 3.94Å; M136-F162 HydrophobicContact SD-CD2 4.12Å; M136-F162 HydrophobicContact SD-CG 4.3Å
137T91.2Very high93.4Very high124 Ų12456.7 Ų56.776%0.76129%0.286SS*.Hα-helixtrans-60-25.1-178.456.50000114.3Q135Q135-T137 VanDerWaalsContact C-N 3.29Å; Q135-T137 PolarHBondContact O-N 2.85Å
138Q88.8Confident93.4Very high118 Ų11856.1 Ų56.155%0.55129%0.286SS*.Hα-helixtrans-89.6-29.4-177.7-60.2-174.127.300113.2Q135 M136Q135-Q138 PolarHBondContact O-N 3.12Å; M136-Q138 PolarHBondContact O-N 2.98Å; M136-Q138 VanDerWaalsContact O-N 3.09Å
139V92.7Very high93.3Very high3 Ų354 Ų542%0.01828%0.277CS..Hα-helixtrans-115.7-15.5-168.8-700000114.5A110 L131 Q135 M136 N141 K142 L143 F146 F162A110-V139 HydrophobicContact CB-CB 4.48Å; A110-V139 HydrophobicContact CB-CG1 3.96Å; A110-V139 HydrophobicContact CB-CG2 3.92Å; L131-V139 HydrophobicContact CD1-CG2 4.47Å; Q135-V139 VanDerWaalsContact O-CG2 3.24Å; Q135-V139 WeakPolarHBondContact O-CG2 3.26Å; Q135-V139 PolarHBondContact O-N 3.26Å; M136-V139 PolarHBondContact O-N 2.93Å; V139-N141 VanDerWaalsContact C-N 3.29Å; V139-N141 PolarHBondContact O-N 2.9Å; V139-K142 PolarHBondContact O-N 3.49Å; V139-L143 PolarHBondContact O-N 2.97Å; V139-F146 HydrophobicContact CB-CE2 4.09Å; V139-F146 HydrophobicContact CG1-CE2 4.28Å; V139-F146 HydrophobicContact CG1-CZ 4.43Å; V139-F162 HydrophobicContact CG2-CE1 4.14Å; V139-F162 HydrophobicContact CG2-CZ 3.72Å
140E92.4Very high93.3Very high104 Ų10454.2 Ų54.249%0.48628%0.278SS..G310 helixtrans-57-39.8-176.6179.6173-154.200112.8M136 K142 L143 F162M136-E140 VanDerWaalsContact CE-OE1 3.31Å; M136-E140 WeakPolarHBondContact CE-OE1 3.32Å; M136-E140 HydrophobicContact CG-CB 4.45Å; M136-E140 WeakPolarHBondContact O-CB 3.31Å; M136-E140 PolarHBondContact O-N 2.95Å; E140-K142 PolarHBondContact O-N 3.5Å; E140-K142 VanDerWaalsContact O-N 3.15Å; E140-L143 WeakPolarHBondContact O-CG 3.39Å; E140-L143 PolarHBondContact O-N 3.45Å; E140-F162 HydrophobicContact CB-CE2 4.4Å
141N91.8Very high93.3Very high103 Ų10356.8 Ų56.855%0.55129%0.289SS*.G310 helixtrans-73.5-1.2177.667.7-19.8000114.6H63 V139H63-N141 PolarHBondContact NE2-O 3.4Å; V139-N141 VanDerWaalsContact C-N 3.29Å; V139-N141 PolarHBondContact O-N 2.9Å
142K92.6Very high93.3Very high29 Ų2961 Ų6113%0.12631%0.309CS..G310 helixtrans-115.8-2.5-178.5-64.8-175.6-174.1-164.60113.7E56 V139 E140 D144 T145 F146E56-K142 IonicContact OE1-NZ 2.72Å; E56-K142 PolarHBondContact OE1-NZ 3.37Å; E56-K142 IonicContact OE2-NZ 3.84Å; E56-K142 PolarHBondContact OE2-NZ 3.36Å; V139-K142 PolarHBondContact O-N 3.49Å; E140-K142 PolarHBondContact O-N 3.5Å; E140-K142 VanDerWaalsContact O-N 3.15Å; K142-D144 PolarHBondContact O-N 2.77Å; K142-T145 WeakPolarHBondContact O-CA 3.29Å; K142-T145 VanDerWaalsContact O-CB 3.29Å; K142-T145 WeakPolarHBondContact O-CB 3.36Å; K142-T145 PolarHBondContact O-N 3.29Å; K142-F146 HydrophobicContact CB-CD1 4.31Å; K142-F146 HydrophobicContact CB-CD2 4.38Å; K142-F146 HydrophobicContact CB-CE1 3.73Å; K142-F146 HydrophobicContact CB-CE2 3.82Å; K142-F146 HydrophobicContact CB-CZ 3.47Å; K142-F146 VanDerWaalsContact CB-CZ 3.47Å; K142-F146 HydrophobicContact CD-CE1 4.34Å; K142-F146 HydrophobicContact CD-CZ 4.15Å; K142-F146 HydrophobicContact CG-CZ 4.4Å; K142-F146 WeakPolarHBondContact O-CG 3.5Å; K142-F146 PolarHBondContact O-N 2.77Å
143L94.4Very high93.3Very high31 Ų3161 Ų6116%0.16231%0.308CS..Hα-helixtrans-57.2-45.8-173.9-59.6178.3000113.4L131 V139 E140 T145 F146 A147 F160 F162L131-L143 HydrophobicContact CD1-CD2 3.8Å; V139-L143 PolarHBondContact O-N 2.97Å; E140-L143 WeakPolarHBondContact O-CG 3.39Å; E140-L143 PolarHBondContact O-N 3.45Å; L143-T145 PolarHBondContact O-N 2.72Å; L143-F146 HydrophobicContact CD2-CD2 4.41Å; L143-F146 PolarHBondContact O-N 3.03Å; L143-A147 PolarHBondContact O-N 3.14Å; L143-F160 HydrophobicContact CB-CB 4.45Å; L143-F160 HydrophobicContact CD2-CB 3.73Å; L143-F160 HydrophobicContact CD2-CG 4.46Å; L143-F160 HydrophobicContact CG-CB 4.5Å; L143-F162 HydrophobicContact CD1-CE2 4.05Å; L143-F162 HydrophobicContact CD2-CE2 4.4Å; L143-F162 HydrophobicContact CD2-CZ 4.4Å
144D93.6Very high93.5Very high120 Ų12055.9 Ų55.964%0.64229%0.292SS*.Hα-helixtrans-62.9-34.3177.2-67.2-28.4000112K142 A147 G148K142-D144 PolarHBondContact O-N 2.77Å; D144-A147 PolarHBondContact O-N 3.21Å; D144-G148 PolarHBondContact O-N 3.26Å
145T94.6Very high93.6Very high6 Ų652.5 Ų52.54%0.03729%0.288CS..Hα-helixtrans-68.4-44175.9-59.80000111.7V26 A31 H63 K142 L143 A147 G148 V149V26-T145 HydrophobicContact CG2-CG2 4.41Å; A31-T145 HydrophobicContact CB-CG2 3.61Å; H63-T145 HydrophobicContact CB-CG2 3.83Å; H63-T145 PolarHBondContact CD2-OG1 3.11Å; K142-T145 WeakPolarHBondContact O-CA 3.29Å; K142-T145 VanDerWaalsContact O-CB 3.29Å; K142-T145 WeakPolarHBondContact O-CB 3.36Å; K142-T145 PolarHBondContact O-N 3.29Å; L143-T145 PolarHBondContact O-N 2.72Å; T145-A147 VanDerWaalsContact C-N 3.26Å; T145-A147 PolarHBondContact O-N 3.35Å; T145-G148 PolarHBondContact O-N 2.99Å; T145-V149 HydrophobicContact CG2-CG2 4.14Å; T145-V149 WeakPolarHBondContact O-CB 3.36Å; T145-V149 WeakPolarHBondContact O-CG2 3.3Å; T145-V149 PolarHBondContact O-N 3.13Å
146F95.7Very high93.9Very high7 Ų755.1 Ų55.13%0.03130%0.299CS..Hα-helixtrans-59.9-40.7175.1-60.4-23.5000111.5V65 I106 V107 V139 K142 L143 Y150 F160V65-F146 HydrophobicContact CG2-CD1 4.46Å; V65-F146 HydrophobicContact CG2-CE1 4.36Å; I106-F146 HydrophobicContact CG2-CB 3.52Å; I106-F146 HydrophobicContact CG2-CD1 3.44Å; I106-F146 VanDerWaalsContact CG2-CD1 3.44Å; I106-F146 HydrophobicContact CG2-CE1 4.3Å; I106-F146 HydrophobicContact CG2-CG 3.63Å; I106-F146 WeakPolarHBondContact O-CD1 3.45Å; I106-F146 WeakPolarHBondContact O-CE1 3.49Å; V107-F146 HydrophobicContact CG1-CD2 4.32Å; V139-F146 HydrophobicContact CB-CE2 4.09Å; V139-F146 HydrophobicContact CG1-CE2 4.28Å; V139-F146 HydrophobicContact CG1-CZ 4.43Å; K142-F146 HydrophobicContact CB-CD1 4.31Å; K142-F146 HydrophobicContact CB-CD2 4.38Å; K142-F146 HydrophobicContact CB-CE1 3.73Å; K142-F146 HydrophobicContact CB-CE2 3.82Å; K142-F146 HydrophobicContact CB-CZ 3.47Å; K142-F146 VanDerWaalsContact CB-CZ 3.47Å; K142-F146 HydrophobicContact CD-CE1 4.34Å; K142-F146 HydrophobicContact CD-CZ 4.15Å; K142-F146 HydrophobicContact CG-CZ 4.4Å; K142-F146 WeakPolarHBondContact O-CG 3.5Å; K142-F146 PolarHBondContact O-N 2.77Å; L143-F146 HydrophobicContact CD2-CD2 4.41Å; L143-F146 PolarHBondContact O-N 3.03Å; F146-Y150 WeakPolarHBondContact O-CB 3.36Å; F146-Y150 PolarHBondContact O-N 2.61Å; F146-F160 HydrophobicContact CB-CD2 3.86Å; F146-F160 HydrophobicContact CB-CE2 3.33Å; F146-F160 HydrophobicContact CB-CZ 3.78Å
147A95.9Very high94.1Very high23 Ų2356 Ų5619%0.1930%0.303CS..Hα-helixtrans-64.5-46.1178.100000111.3L143 D144 T145 Y150 K151 V158 F160L143-A147 PolarHBondContact O-N 3.14Å; D144-A147 PolarHBondContact O-N 3.21Å; T145-A147 VanDerWaalsContact C-N 3.26Å; T145-A147 PolarHBondContact O-N 3.35Å; A147-Y150 PolarHBondContact O-N 2.99Å; A147-K151 WeakPolarHBondContact O-CB 3.34Å; A147-K151 PolarHBondContact O-N 3.2Å; A147-V158 WeakPolarHBondContact CB-O 3.39Å; A147-F160 HydrophobicContact CB-CD2 4.45Å; A147-F160 HydrophobicContact CB-CE2 4.29Å
148G95.5Very high94.4Very high15 Ų1550.5 Ų50.516%0.15527%0.269CS..Hα-helixtrans-61.9-47176.200000113.1D144 T145 Y150 K151 H152D144-G148 PolarHBondContact O-N 3.26Å; T145-G148 PolarHBondContact O-N 2.99Å; G148-Y150 PolarHBondContact O-N 2.8Å; G148-K151 PolarHBondContact O-N 3.12Å; G148-H152 WeakPolarHBondContact O-CB 3.36Å; G148-H152 PolarHBondContact O-N 3.48Å
149V95.6Very high94.7Very high0 Ų047.1 Ų47.10%026%0.256CS..Hα-helixtrans-58.9-46.7176.8171.90000110.7I24 A31 I33 V65 I67 I106 T145 H152 L153I24-V149 HydrophobicContact CD1-CB 4.15Å; I24-V149 HydrophobicContact CD1-CG2 3.55Å; A31-V149 HydrophobicContact CB-CG2 4.49Å; I33-V149 HydrophobicContact CD1-CG1 3.89Å; I33-V149 HydrophobicContact CG1-CG1 4.15Å; I33-V149 HydrophobicContact CG1-CG2 4.41Å; V65-V149 HydrophobicContact CG2-CG2 4.27Å; I67-V149 HydrophobicContact CD1-CG1 3.82Å; I106-V149 HydrophobicContact CD1-CG1 3.83Å; I106-V149 HydrophobicContact CG1-CG1 3.94Å; T145-V149 HydrophobicContact CG2-CG2 4.14Å; T145-V149 WeakPolarHBondContact O-CB 3.36Å; T145-V149 WeakPolarHBondContact O-CG2 3.3Å; T145-V149 PolarHBondContact O-N 3.13Å; V149-H152 PolarHBondContact O-N 2.75Å; V149-L153 HydrophobicContact CG1-CD1 3.78Å; V149-L153 VanDerWaalsContact O-CG 3.29Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.11Å
150Y96.2Very high94.9Very high5 Ų547.8 Ų47.82%0.0226%0.259CS..Hα-helixtrans-66.2-41.4-179.6-170.6-103.6000112.5H99 F102 L103 I106 F146 A147 G148 H152 L153 T154 K156 V158H99-Y150 WeakPolarHBondContact O-CE2 3.35Å; H99-Y150 PolarHBondContact O-OH 3.24Å; F102-Y150 HydrophobicContact CB-CE2 4.45Å; L103-Y150 HydrophobicContact CD1-CE2 4.2Å; L103-Y150 HydrophobicContact CD2-CD1 4.16Å; L103-Y150 HydrophobicContact CD2-CD2 3.41Å; L103-Y150 VanDerWaalsContact CD2-CD2 3.41Å; L103-Y150 HydrophobicContact CD2-CE1 4.14Å; L103-Y150 HydrophobicContact CD2-CE2 3.43Å; L103-Y150 VanDerWaalsContact CD2-CE2 3.43Å; L103-Y150 HydrophobicContact CD2-CG 3.77Å; L103-Y150 HydrophobicContact CG-CD2 3.88Å; L103-Y150 HydrophobicContact CG-CE2 3.41Å; L103-Y150 VanDerWaalsContact CG-CE2 3.41Å; I106-Y150 HydrophobicContact CD1-CD2 3.89Å; I106-Y150 HydrophobicContact CD1-CG 4.49Å; F146-Y150 WeakPolarHBondContact O-CB 3.36Å; F146-Y150 PolarHBondContact O-N 2.61Å; A147-Y150 PolarHBondContact O-N 2.99Å; G148-Y150 PolarHBondContact O-N 2.8Å; Y150-H152 VanDerWaalsContact C-N 3.33Å; Y150-H152 PolarHBondContact O-N 3.39Å; Y150-L153 PolarHBondContact O-N 2.77Å; Y150-T154 WeakPolarHBondContact CD1-OG1 3.47Å; Y150-T154 HydrophobicContact CD2-CG2 4.01Å; Y150-T154 HydrophobicContact CE1-CG2 4.31Å; Y150-T154 VanDerWaalsContact CE1-OG1 3.3Å; Y150-T154 WeakPolarHBondContact CE1-OG1 3.31Å; Y150-T154 HydrophobicContact CE2-CG2 3.58Å; Y150-T154 WeakPolarHBondContact O-CB 3.29Å; Y150-T154 PolarHBondContact O-N 3.49Å; Y150-T154 PolarHBondContact O-OG1 3.07Å; Y150-K156 HydrophobicContact CD1-CB 4.46Å; Y150-K156 HydrophobicContact CE1-CB 3.87Å; Y150-V158 HydrophobicContact CD1-CB 3.91Å; Y150-V158 HydrophobicContact CD1-CG2 3.24Å; Y150-V158 HydrophobicContact CE1-CB 4.47Å; Y150-V158 HydrophobicContact CE1-CG2 3.35Å; Y150-V158 HydrophobicContact CG-CG2 4.16Å
151K95.6Very high94.9Very high105 Ų10545.9 Ų45.946%0.45725%0.25SS..Hα-helixtrans-61.2-42175.4-174.3168.3178.61650111.1A147 G148 G155 K156 E157A147-K151 WeakPolarHBondContact O-CB 3.34Å; A147-K151 PolarHBondContact O-N 3.2Å; G148-K151 PolarHBondContact O-N 3.12Å; K151-G155 WeakPolarHBondContact O-CA 3.2Å; K151-G155 PolarHBondContact O-N 3.36Å; K151-K156 WeakPolarHBondContact CA-O 3.06Å; K151-E157 IonicContact NZ-OE1 2.64Å; K151-E157 PolarHBondContact NZ-OE1 3.1Å
152H94.7Very high94.9Very high89 Ų8942.7 Ų42.741%0.41223%0.231SC..Hα-helixtrans-64.2-40.1176.3-17775000113.4K22 I24 G148 V149 Y150K22-H152 WeakPolarHBondContact CE-NE2 3.48Å; K22-H152 PolarHBondContact NZ-NE2 3.05Å; I24-H152 HydrophobicContact CD1-CB 4.35Å; I24-H152 VanDerWaalsContact CG2-CD2 3.42Å; I24-H152 WeakPolarHBondContact CG2-CD2 3.34Å; I24-H152 VanDerWaalsContact CG2-NE2 3.31Å; I24-H152 WeakPolarHBondContact CG2-NE2 3.43Å; G148-H152 WeakPolarHBondContact O-CB 3.36Å; G148-H152 PolarHBondContact O-N 3.48Å; V149-H152 PolarHBondContact O-N 2.75Å; Y150-H152 VanDerWaalsContact C-N 3.33Å; Y150-H152 PolarHBondContact O-N 3.39Å
153L94.6Very high94.7Very high39 Ų3943.7 Ų43.720%0.20424%0.241CC..Hα-helixtrans-77.2-33-177.7-69.3168.8000113.6I33 Y35 I67 I106 V149 Y150I33-L153 HydrophobicContact CD1-CD2 4.29Å; I33-L153 HydrophobicContact CD1-CG 4.39Å; Y35-L153 HydrophobicContact CE1-CD2 4.38Å; Y35-L153 VanDerWaalsContact OH-CD2 3.24Å; Y35-L153 WeakPolarHBondContact OH-CD2 3.28Å; I67-L153 HydrophobicContact CD1-CD1 3.33Å; I106-L153 HydrophobicContact CD1-CD1 4.16Å; V149-L153 HydrophobicContact CG1-CD1 3.78Å; V149-L153 VanDerWaalsContact O-CG 3.29Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.11Å; Y150-L153 PolarHBondContact O-N 2.77Å
154T95.3Very high94.1Very high23 Ų2350.5 Ų50.514%0.14127%0.272CS..Hα-helixtrans-122.1-14.9-166.969.20000114.8H99 F102 Y150 K156H99-T154 HydrophobicContact CB-CG2 4.49Å; H99-T154 VanDerWaalsContact CE1-CB 3.45Å; H99-T154 WeakPolarHBondContact CE1-CB 3.36Å; H99-T154 WeakPolarHBondContact ND1-CB 3.08Å; H99-T154 WeakPolarHBondContact ND1-CG2 3.36Å; F102-T154 HydrophobicContact CD2-CG2 4.29Å; Y150-T154 WeakPolarHBondContact CD1-OG1 3.47Å; Y150-T154 HydrophobicContact CD2-CG2 4.01Å; Y150-T154 HydrophobicContact CE1-CG2 4.31Å; Y150-T154 VanDerWaalsContact CE1-OG1 3.3Å; Y150-T154 WeakPolarHBondContact CE1-OG1 3.31Å; Y150-T154 HydrophobicContact CE2-CG2 3.58Å; Y150-T154 WeakPolarHBondContact O-CB 3.29Å; Y150-T154 PolarHBondContact O-N 3.49Å; Y150-T154 PolarHBondContact O-OG1 3.07Å; T154-K156 PolarHBondContact O-N 3.17Å; T154-K156 PolarHBondContact OG1-N 3.38Å
155G94.7Very high93.3Very high64 Ų6449.3 Ų49.366%0.6627%0.269SS*.SBendtrans70.78.6-17100000114.4K151K151-G155 WeakPolarHBondContact O-CA 3.2Å; K151-G155 PolarHBondContact O-N 3.36Å
156K95.2Very high92.2Very high95 Ų9556.7 Ų56.741%0.41331%0.307SS..  trans-104.7142.4-176.4-64178.1179.81780111.5H99 Y150 K151 T154H99-K156 PolarHBondContact ND1-NZ 2.85Å; Y150-K156 HydrophobicContact CD1-CB 4.46Å; Y150-K156 HydrophobicContact CE1-CB 3.87Å; K151-K156 WeakPolarHBondContact CA-O 3.06Å; T154-K156 PolarHBondContact O-N 3.17Å; T154-K156 PolarHBondContact OG1-N 3.38Å
157E95.2Very high89.9Confident73 Ų7367.2 Ų67.234%0.34136%0.364SS..EExtended strand (participates in β ladder)trans-83.2131.7175.9-55.3-160.314300111.2R120 L126 L127 K151R120-E157 IonicContact NH1-OE2 3.19Å; L126-E157 HydrophobicContact CD1-CB 4.06Å; L127-E157 PolarHBondContact N-O 3.39Å; L127-E157 VanDerWaalsContact N-O 3.07Å; K151-E157 IonicContact NZ-OE1 2.64Å; K151-E157 PolarHBondContact NZ-OE1 3.1Å
158V96.6Very high89.6Confident9 Ų969.5 Ų69.56%0.05537%0.373CS..EExtended strand (participates in β ladder)trans-131.6143.1178.8162.40000110.1L103 L127 V129 A147 Y150 F160L103-V158 HydrophobicContact CD2-CG1 4.47Å; L103-V158 HydrophobicContact CD2-CG2 4.26Å; L127-V158 HydrophobicContact CB-CG2 3.74Å; L127-V158 HydrophobicContact CD2-CG2 3.74Å; L127-V158 HydrophobicContact CG-CG2 3.95Å; L127-V158 CarbonylContact O-C 3.58Å; L127-V158 WeakPolarHBondContact O-CA 3.33Å; V129-V158 HydrophobicContact CG2-CG1 3.95Å; A147-V158 WeakPolarHBondContact CB-O 3.39Å; Y150-V158 HydrophobicContact CD1-CB 3.91Å; Y150-V158 HydrophobicContact CD1-CG2 3.24Å; Y150-V158 HydrophobicContact CE1-CB 4.47Å; Y150-V158 HydrophobicContact CE1-CG2 3.35Å; Y150-V158 HydrophobicContact CG-CG2 4.16Å; V158-F160 HydrophobicContact CB-CE2 4.49Å; V158-F160 HydrophobicContact CG1-CD1 4.34Å; V158-F160 HydrophobicContact CG1-CD2 3.92Å; V158-F160 HydrophobicContact CG1-CE1 3.9Å; V158-F160 HydrophobicContact CG1-CE2 3.41Å; V158-F160 VanDerWaalsContact CG1-CE2 3.41Å; V158-F160 HydrophobicContact CG1-CG 4.35Å; V158-F160 HydrophobicContact CG1-CZ 3.42Å; V158-F160 VanDerWaalsContact CG1-CZ 3.42Å
159T95.9Very high89.3Confident46 Ų4672.3 Ų72.328%0.28238%0.384SS..EExtended strand (participates in β ladder)trans-122140.3164.957.80000109.3L126 L127 K128 V129L126-T159 HydrophobicContact CD1-CG2 3.99Å; L126-T159 HydrophobicContact CD2-CG2 4.34Å; L126-T159 HydrophobicContact CG-CG2 4.43Å; L127-T159 PolarHBondContact O-N 3.31Å; K128-T159 CarbonylContact C-O 3.47Å; K128-T159 WeakPolarHBondContact CA-O 3.31Å; V129-T159 PolarHBondContact N-O 3.43Å
160F96Very high88.9Confident17 Ų1776.3 Ų76.38%0.07541%0.405CS..EExtended strand (participates in β ladder)trans-106.9131.1177.2-62.8-82.8000109.2L103 V107 V129 L131 L143 F146 A147 V158L103-F160 HydrophobicContact CD2-CE1 4.38Å; L103-F160 HydrophobicContact CD2-CZ 4.16Å; V107-F160 HydrophobicContact CG1-CD1 3.93Å; V107-F160 HydrophobicContact CG1-CE1 3.33Å; V107-F160 HydrophobicContact CG1-CZ 3.95Å; V129-F160 HydrophobicContact CB-CD1 3.69Å; V129-F160 HydrophobicContact CB-CE1 3.88Å; V129-F160 HydrophobicContact CG1-CD1 3.8Å; V129-F160 HydrophobicContact CG1-CE1 3.85Å; V129-F160 HydrophobicContact CG2-CD1 4.49Å; V129-F160 HydrophobicContact CG2-CE1 4.25Å; V129-F160 WeakPolarHBondContact O-CA 3.39Å; L131-F160 HydrophobicContact CD1-CB 4.19Å; L131-F160 HydrophobicContact CD1-CD1 4.1Å; L131-F160 HydrophobicContact CD1-CG 4.44Å; L131-F160 HydrophobicContact CD2-CD1 4.15Å; L131-F160 HydrophobicContact CG-CD1 4.2Å; L143-F160 HydrophobicContact CB-CB 4.45Å; L143-F160 HydrophobicContact CD2-CB 3.73Å; L143-F160 HydrophobicContact CD2-CG 4.46Å; L143-F160 HydrophobicContact CG-CB 4.5Å; F146-F160 HydrophobicContact CB-CD2 3.86Å; F146-F160 HydrophobicContact CB-CE2 3.33Å; F146-F160 HydrophobicContact CB-CZ 3.78Å; A147-F160 HydrophobicContact CB-CD2 4.45Å; A147-F160 HydrophobicContact CB-CE2 4.29Å; V158-F160 HydrophobicContact CB-CE2 4.49Å; V158-F160 HydrophobicContact CG1-CD1 4.34Å; V158-F160 HydrophobicContact CG1-CD2 3.92Å; V158-F160 HydrophobicContact CG1-CE1 3.9Å; V158-F160 HydrophobicContact CG1-CE2 3.41Å; V158-F160 VanDerWaalsContact CG1-CE2 3.41Å; V158-F160 HydrophobicContact CG1-CG 4.35Å; V158-F160 HydrophobicContact CG1-CZ 3.42Å; V158-F160 VanDerWaalsContact CG1-CZ 3.42Å
161E93.4Very high88.5Confident64 Ų6480.5 Ų80.530%0.29943%0.428SS..EExtended strand (participates in β ladder)trans-134.9151.2-177.2-68.1169.6-160.900108.7K128 V129 F130 L131K128-E161 IonicContact NZ-OE1 3.44Å; K128-E161 PolarHBondContact NZ-OE1 3.28Å; K128-E161 IonicContact NZ-OE2 3.58Å; K128-E161 PolarHBondContact NZ-OE2 2.87Å; V129-E161 PolarHBondContact O-N 3.23Å; F130-E161 CarbonylContact C-O 3.57Å; F130-E161 VanDerWaalsContact CA-O 3.26Å; F130-E161 WeakPolarHBondContact CA-O 3.49Å; F130-E161 HydrophobicContact CD1-CB 4.09Å; F130-E161 HydrophobicContact CE1-CB 4.17Å; L131-E161 PolarHBondContact N-O 2.98Å
162F92.7Very high88.1Confident36 Ų3679 Ų7916%0.15843%0.426CS..PPolyproline II helixtrans-98.2129.3166.9-63.2-79000108L131 D132 M136 V139 E140 L143 E164L131-F162 HydrophobicContact CB-CD1 3.95Å; L131-F162 HydrophobicContact CB-CE1 3.64Å; L131-F162 HydrophobicContact CB-CZ 4.38Å; L131-F162 HydrophobicContact CD1-CE1 4.41Å; L131-F162 HydrophobicContact CD1-CZ 4.37Å; D132-F162 WeakPolarHBondContact O-CE1 3.32Å; M136-F162 HydrophobicContact CB-CD1 4.17Å; M136-F162 HydrophobicContact CB-CD2 4.49Å; M136-F162 HydrophobicContact CB-CE1 3.9Å; M136-F162 HydrophobicContact CB-CE2 4.24Å; M136-F162 HydrophobicContact CB-CG 4.46Å; M136-F162 HydrophobicContact CB-CZ 3.97Å; M136-F162 HydrophobicContact CE-CD2 4.31Å; M136-F162 HydrophobicContact CG-CD1 4.42Å; M136-F162 HydrophobicContact CG-CD2 3.87Å; M136-F162 HydrophobicContact CG-CE1 4.27Å; M136-F162 HydrophobicContact CG-CE2 3.71Å; M136-F162 HydrophobicContact CG-CG 4.24Å; M136-F162 HydrophobicContact CG-CZ 3.94Å; M136-F162 HydrophobicContact SD-CD2 4.12Å; M136-F162 HydrophobicContact SD-CG 4.3Å; V139-F162 HydrophobicContact CG2-CE1 4.14Å; V139-F162 HydrophobicContact CG2-CZ 3.72Å; E140-F162 HydrophobicContact CB-CE2 4.4Å; L143-F162 HydrophobicContact CD1-CE2 4.05Å; L143-F162 HydrophobicContact CD2-CE2 4.4Å; L143-F162 HydrophobicContact CD2-CZ 4.4Å; F162-E164 PolarHBondContact O-N 3.31Å
163P88.3Confident87.6Confident50 Ų5078.3 Ų78.333%0.32543%0.427SS..PPolyproline II helixtrans-64.7134.2178.727.1-31.5000110L131L131-P163 WeakPolarHBondContact O-CD 3.19Å
164E81.3Confident87.1Confident174 Ų17481.1 Ų81.181%0.81344%0.443SS*.PPolyproline II helixtrans-67.7136.8169.6-67.9-179.917700109.1F162 L166F162-E164 PolarHBondContact O-N 3.31Å; E164-L166 PolarHBondContact O-N 3.48Å
165V75.7Confident86.5Confident96 Ų9685.6 Ų85.658%0.58247%0.466SS*.  trans-74111.3170.1179.20000105.5R133 N167R133-V165 VanDerWaalsContact NH1-CG2 3.3Å; V165-N167 PolarHBondContact O-N 3.04Å
166L71.2Confident85.8Confident161 Ų16187.4 Ų87.484%0.84345%0.45SS*.  trans-63.1115.9168.8-66.6168.3000106.8E164E164-L166 PolarHBondContact O-N 3.48Å
167N48.2Very low85Confident228 Ų22886.7 Ų86.7100%1.21945%0.454SS*.  trans-67.60168-68.8-29.7000110.6V165V165-N167 PolarHBondContact O-N 3.04Å

Retrieved 167 of 167 residues in 93.5 ms (Link to these results)

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