A0A077ZLC3_TRITR Loading...

asparaginase

AlphaFold DB , UniProt , Accession A0A077ZLC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 310 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
1M79.4Confident79.3Confident99 Ų9979.7 Ų79.749%0.48847%0.469SS..  0137.40-66.3-158-74.700107.2V9 R10 D12 I103M1-V9 HydrophobicContact CB-CG1 3.66Å; M1-V9 HydrophobicContact CE-CG1 4.25Å; M1-V9 HydrophobicContact CG-CG1 4.38Å; M1-V9 HydrophobicContact SD-CG1 3.95Å; M1-R10 WeakPolarHBondContact CA-O 3.29Å; M1-R10 WeakPolarHBondContact CB-O 3.34Å; M1-D12 WeakPolarHBondContact CA-OD2 3.48Å; M1-D12 PolarHBondContact N-OD2 3.21Å; M1-I103 PolarHBondContact O-N 3.13Å
2S77Confident79Confident39 Ų3976.2 Ų76.227%0.27345%0.446SS..EExtended strand (participates in β ladder)trans-122.3148.2176.457.90000110.3V9 R10 D12 N104S2-V9 WeakPolarHBondContact O-CA 3.17Å; S2-R10 PolarHBondContact N-O 3.44Å; S2-R10 VanDerWaalsContact N-O 3.14Å; S2-R10 PolarHBondContact O-N 3.04Å; S2-D12 VanDerWaalsContact CB-OD1 3.28Å; S2-D12 WeakPolarHBondContact CB-OD1 3.24Å; S2-D12 PolarHBondContact N-OD2 2.73Å; S2-D12 PolarHBondContact OG-OD1 3.43Å; S2-N104 VanDerWaalsContact CA-OD1 3.29Å; S2-N104 WeakPolarHBondContact CA-OD1 3.36Å
3Q80.3Confident78.6Confident62 Ų6286.3 Ų86.329%0.2948%0.481SS..EExtended strand (participates in β ladder)trans-88.9131.6174-169179.342.200110.2G7 A8 V9 N104 E105Q3-G7 WeakPolarHBondContact CG-O 3.15Å; Q3-G7 PolarHBondContact NE2-O 3.32Å; Q3-A8 CarbonylContact C-O 3.55Å; Q3-A8 WeakPolarHBondContact CA-O 3.38Å; Q3-V9 HydrophobicContact CB-CG2 4.21Å; Q3-V9 HydrophobicContact CG-CG2 4.21Å; Q3-N104 PolarHBondContact N-ND2 3.44Å; Q3-N104 PolarHBondContact N-OD1 2.94Å; Q3-N104 PolarHBondContact O-ND2 3.32Å; Q3-E105 HydrophobicContact CB-CG 4.25Å; Q3-E105 PolarHBondContact NE2-OE2 3.01Å; Q3-E105 VanDerWaalsContact NE2-OE2 3.15Å; Q3-E105 PolarHBondContact OE1-OE2 2.86Å
4D82.1Confident78Confident49 Ų4991.6 Ų91.626%0.26250%0.497SS..  trans-81.1177.1171.566.825.1000112.2D6 G7 A8 R10D4-D6 PolarHBondContact O-N 3.15Å; D4-D6 VanDerWaalsContact O-N 3.17Å; D4-D6 PolarHBondContact OD1-N 2.66Å; D4-D6 VanDerWaalsContact OD1-N 3.09Å; D4-G7 PolarHBondContact O-N 3.24Å; D4-G7 PolarHBondContact OD1-N 2.9Å; D4-A8 PolarHBondContact N-O 3.12Å; D4-A8 PolarHBondContact OD1-N 3.23Å; D4-R10 IonicContact OD2-CZ 3.51Å; D4-R10 IonicContact OD2-NE 3.69Å; D4-R10 IonicContact OD2-NH2 2.89Å; D4-R10 PolarHBondContact OD2-NH2 2.94Å
5A78.7Confident77.5Confident109 Ų10988.1 Ų88.190%0.90148%0.478SS*.THydrogen-bonded Turntrans-63.3-20.6-177.300000113.7G7A5-G7 VanDerWaalsContact C-N 3.33Å
6D81.4Confident76.8Confident155 Ų15584.8 Ų84.883%0.82946%0.462SS*.THydrogen-bonded Turntrans-92.41.9179.1-59.8-48.4000112D4 A8D4-D6 PolarHBondContact O-N 3.15Å; D4-D6 VanDerWaalsContact O-N 3.17Å; D4-D6 PolarHBondContact OD1-N 2.66Å; D4-D6 VanDerWaalsContact OD1-N 3.09Å; D6-A8 VanDerWaalsContact C-N 3.35Å
7G76.2Confident76.5Confident34 Ų3481.4 Ų81.435%0.35144%0.443SS..SBendtrans86.30.6179.800000114.4Q3 D4 A5Q3-G7 WeakPolarHBondContact CG-O 3.15Å; Q3-G7 PolarHBondContact NE2-O 3.32Å; D4-G7 PolarHBondContact O-N 3.24Å; D4-G7 PolarHBondContact OD1-N 2.9Å; A5-G7 VanDerWaalsContact C-N 3.33Å
8A80.1Confident76Confident42 Ų4281.5 Ų81.535%0.34744%0.443SS..  trans-78.7137.4179.400000110.9Q3 D4 D6Q3-A8 CarbonylContact C-O 3.55Å; Q3-A8 WeakPolarHBondContact CA-O 3.38Å; D4-A8 PolarHBondContact N-O 3.12Å; D4-A8 PolarHBondContact OD1-N 3.23Å; D6-A8 VanDerWaalsContact C-N 3.35Å
9V78.2Confident75.5Confident63 Ų6381.2 Ų81.238%0.38245%0.452SS..EExtended strand (participates in β ladder)trans-105.5131.8-175.1179.60000110M1 S2 Q3 S102M1-V9 HydrophobicContact CB-CG1 3.66Å; M1-V9 HydrophobicContact CE-CG1 4.25Å; M1-V9 HydrophobicContact CG-CG1 4.38Å; M1-V9 HydrophobicContact SD-CG1 3.95Å; S2-V9 WeakPolarHBondContact O-CA 3.17Å; Q3-V9 HydrophobicContact CB-CG2 4.21Å; Q3-V9 HydrophobicContact CG-CG2 4.21Å; V9-S102 VanDerWaalsContact CG1-OG 3.29Å; V9-S102 WeakPolarHBondContact CG1-OG 3.39Å; V9-S102 WeakPolarHBondContact CG2-OG 3.44Å
10R81.4Confident75.1Confident157 Ų15777.9 Ų77.959%0.59244%0.436SS*.EExtended strand (participates in β ladder)trans-134.5152.1-178.8-55.2-177-159.5-175.39.2112.1M1 S2 D4 D12M1-R10 WeakPolarHBondContact CA-O 3.29Å; M1-R10 WeakPolarHBondContact CB-O 3.34Å; S2-R10 PolarHBondContact N-O 3.44Å; S2-R10 VanDerWaalsContact N-O 3.14Å; S2-R10 PolarHBondContact O-N 3.04Å; D4-R10 IonicContact OD2-CZ 3.51Å; D4-R10 IonicContact OD2-NE 3.69Å; D4-R10 IonicContact OD2-NH2 2.89Å; D4-R10 PolarHBondContact OD2-NH2 2.94Å; R10-D12 PolarHBondContact O-N 3.13Å
11P77.6Confident74.5Confident68 Ų6875.5 Ų75.544%0.44243%0.429SS..  trans-57.5131.9165.8-23.134.3000111.2
12D75.9Confident73.7Confident37 Ų3779.8 Ų79.820%0.19845%0.448CS..  trans-77.5155.5171.5-58.9-62.9000109.4M1 S2 R10 K14 N39M1-D12 WeakPolarHBondContact CA-OD2 3.48Å; M1-D12 PolarHBondContact N-OD2 3.21Å; S2-D12 VanDerWaalsContact CB-OD1 3.28Å; S2-D12 WeakPolarHBondContact CB-OD1 3.24Å; S2-D12 PolarHBondContact N-OD2 2.73Å; S2-D12 PolarHBondContact OG-OD1 3.43Å; R10-D12 PolarHBondContact O-N 3.13Å; D12-K14 VanDerWaalsContact CB-O 3.29Å; D12-K14 WeakPolarHBondContact CB-O 3.45Å; D12-K14 PolarHBondContact O-N 3.5Å; D12-N39 PolarHBondContact O-ND2 3.11Å
13K73.8Confident73.6Confident208 Ų20884.8 Ų84.890%0.90447%0.467SS*.SBendtrans-61.8-27.4176.7-71.7-173.3178.6-178.70113.3
14K70.4Confident73.5Confident160 Ų16082.9 Ų82.970%0.69646%0.458SS*.SBendtrans-132.8146.9177.3-67.2-172.3176-172.40108.3D12 P16D12-K14 VanDerWaalsContact CB-O 3.29Å; D12-K14 WeakPolarHBondContact CB-O 3.45Å; D12-K14 PolarHBondContact O-N 3.5Å; K14-P16 WeakPolarHBondContact O-CD 3.43Å; K14-P16 VanDerWaalsContact O-N 3.13Å
15N69.4Low73.3Confident40 Ų4090.5 Ų90.521%0.21448%0.484CS..  trans-58117.3175.4-175.3-17.6000109.9L17 L18N15-L17 PolarHBondContact O-N 3.07Å; N15-L17 WeakPolarHBondContact OD1-CB 3.39Å; N15-L17 PolarHBondContact OD1-N 3.16Å; N15-L18 HydrophobicContact CB-CD1 4.04Å; N15-L18 HydrophobicContact CB-CG 4.17Å; N15-L18 VanDerWaalsContact O-CB 3.3Å; N15-L18 WeakPolarHBondContact O-CB 3.38Å; N15-L18 PolarHBondContact O-N 3.03Å
16P67.8Low73.5Confident35 Ų3587.6 Ų87.623%0.22745%0.453CS..THydrogen-bonded Turntrans-66.5-20-175.428.6-37000113K14 L18 A19 A20 I103K14-P16 WeakPolarHBondContact O-CD 3.43Å; K14-P16 VanDerWaalsContact O-N 3.13Å; P16-L18 PolarHBondContact O-N 3.4Å; P16-A19 PolarHBondContact O-N 2.77Å; P16-A20 PolarHBondContact O-N 3.44Å; P16-A20 VanDerWaalsContact O-N 3.12Å; P16-I103 HydrophobicContact CB-CD1 3.89Å; P16-I103 HydrophobicContact CB-CG2 3.87Å; P16-I103 HydrophobicContact CG-CB 4.41Å; P16-I103 HydrophobicContact CG-CD1 4.11Å; P16-I103 HydrophobicContact CG-CG2 3.9Å
17L70.4Confident73.5Confident26 Ų2683 Ų8314%0.13643%0.431CS..Hα-helixtrans-65.2-23.4174.1-65.9172.3000112.6N15 A19 A20 G21 T71 I103 L111 F114N15-L17 PolarHBondContact O-N 3.07Å; N15-L17 WeakPolarHBondContact OD1-CB 3.39Å; N15-L17 PolarHBondContact OD1-N 3.16Å; L17-A19 VanDerWaalsContact C-N 3.28Å; L17-A19 PolarHBondContact O-N 3.49Å; L17-A20 PolarHBondContact O-N 3.23Å; L17-G21 PolarHBondContact O-N 3.03Å; L17-T71 HydrophobicContact CD1-CG2 3.63Å; L17-I103 HydrophobicContact CD2-CD1 4.07Å; L17-L111 HydrophobicContact CD2-CD1 4.31Å; L17-F114 HydrophobicContact CB-CD1 4.46Å; L17-F114 HydrophobicContact CB-CE1 4.4Å; L17-F114 HydrophobicContact CD1-CB 4.43Å; L17-F114 HydrophobicContact CD1-CD1 4.23Å; L17-F114 HydrophobicContact CD1-CG 4.17Å; L17-F114 HydrophobicContact CD2-CB 4.46Å; L17-F114 HydrophobicContact CD2-CD1 4.15Å
18L67.9Low73.8Confident84 Ų8486.8 Ų86.844%0.4446%0.46SS..Hα-helixtrans-62.5-36.7173.7-69167.7000112N15 P16 V34N15-L18 HydrophobicContact CB-CD1 4.04Å; N15-L18 HydrophobicContact CB-CG 4.17Å; N15-L18 VanDerWaalsContact O-CB 3.3Å; N15-L18 WeakPolarHBondContact O-CB 3.38Å; N15-L18 PolarHBondContact O-N 3.03Å; P16-L18 PolarHBondContact O-N 3.4Å; L18-V34 HydrophobicContact CD2-CB 3.89Å; L18-V34 HydrophobicContact CD2-CG1 3.33Å; L18-V34 HydrophobicContact CG-CG1 4.49Å
19A67.1Low74.2Confident75 Ų7591.6 Ų91.662%0.6248%0.479SS*.Hα-helixtrans-82.2-42178.100000111.4P16 L17 G21P16-A19 PolarHBondContact O-N 2.77Å; L17-A19 VanDerWaalsContact C-N 3.28Å; L17-A19 PolarHBondContact O-N 3.49Å; A19-G21 PolarHBondContact O-N 3.38Å
20A66.7Low74.8Confident16 Ų1690.4 Ų90.413%0.13247%0.47CS..Hα-helixtrans-70.5-14.3178.800000113.4P16 L17 Q22 E23 I103 L111P16-A20 PolarHBondContact O-N 3.44Å; P16-A20 VanDerWaalsContact O-N 3.12Å; L17-A20 PolarHBondContact O-N 3.23Å; A20-Q22 PolarHBondContact O-N 3.06Å; A20-E23 WeakPolarHBondContact O-CB 3.12Å; A20-E23 PolarHBondContact O-N 3.31Å; A20-I103 HydrophobicContact CB-CD1 4.18Å; A20-L111 HydrophobicContact CB-CD1 3.97Å
21G63.3Low75.3Confident28 Ų2891 Ų9129%0.28948%0.48SS..G310 helixtrans-55.4-25178.500000114.2L17 A19 E23 L24L17-G21 PolarHBondContact O-N 3.03Å; A19-G21 PolarHBondContact O-N 3.38Å; G21-E23 PolarHBondContact O-N 3.24Å; G21-L24 WeakPolarHBondContact O-CB 3.39Å; G21-L24 PolarHBondContact O-N 3.48Å
22Q62.8Low76Confident188 Ų18891.2 Ų91.288%0.87948%0.477SS*.G310 helixtrans-66.6-19.3174.1-64.6-174.1-7.600113.6A20A20-Q22 PolarHBondContact O-N 3.06Å
23E73.5Confident76.8Confident144 Ų14494.8 Ų94.867%0.67350%0.495SS*.G310 helixtrans-91.8-9.6178.2-59.8-175179.200113A20 G21 R25 L111A20-E23 WeakPolarHBondContact O-CB 3.12Å; A20-E23 PolarHBondContact O-N 3.31Å; G21-E23 PolarHBondContact O-N 3.24Å; E23-R25 PolarHBondContact O-N 3.07Å; E23-L111 HydrophobicContact CB-CD2 4.32Å
24L78.9Confident77.6Confident22 Ų2288.6 Ų88.612%0.11547%0.474CS..  trans-67132.6-178.5-68.7171000111.2G21 L26 L32 L111 F114 E115 I118G21-L24 WeakPolarHBondContact O-CB 3.39Å; G21-L24 PolarHBondContact O-N 3.48Å; L24-L26 HydrophobicContact CB-CD1 4.47Å; L24-L26 HydrophobicContact CB-CD2 4.49Å; L24-L26 HydrophobicContact CB-CG 4.08Å; L24-L26 PolarHBondContact O-N 2.79Å; L24-L32 HydrophobicContact CD1-CD2 4.35Å; L24-L111 HydrophobicContact CD2-CD1 3.56Å; L24-L111 HydrophobicContact CD2-CG 4.27Å; L24-L111 HydrophobicContact CG-CD1 4.12Å; L24-F114 HydrophobicContact CD1-CD1 3.92Å; L24-F114 HydrophobicContact CD1-CE1 3.71Å; L24-F114 HydrophobicContact CD2-CD1 4.19Å; L24-E115 HydrophobicContact CD2-CB 3.89Å; L24-E115 HydrophobicContact CD2-CG 4.41Å; L24-I118 HydrophobicContact CD1-CD1 4.13Å
25R78.6Confident78.6Confident209 Ų20985.7 Ų85.779%0.78946%0.463SS*.  trans-99.679.7175.3-64.5-178.3-177.3-175.71.1109.9E23E23-R25 PolarHBondContact O-N 3.07Å
26L81.9Confident79.6Confident48 Ų4887.8 Ų87.825%0.25148%0.475SS..  trans-90.7147.1179.5-58.2179.6000111.7L24 I30 L32 E115 I118L24-L26 HydrophobicContact CB-CD1 4.47Å; L24-L26 HydrophobicContact CB-CD2 4.49Å; L24-L26 HydrophobicContact CB-CG 4.08Å; L24-L26 PolarHBondContact O-N 2.79Å; L26-I30 HydrophobicContact CD1-CG2 4.48Å; L26-L32 HydrophobicContact CD1-CB 4.39Å; L26-L32 HydrophobicContact CD1-CD2 4.14Å; L26-E115 HydrophobicContact CD2-CG 4.3Å; L26-I118 HydrophobicContact CD1-CD1 4.15Å; L26-I118 HydrophobicContact CD1-CG2 4.12Å; L26-I118 HydrophobicContact CD2-CB 4.04Å; L26-I118 HydrophobicContact CD2-CD1 4.08Å; L26-I118 HydrophobicContact CD2-CG2 3.63Å; L26-I118 HydrophobicContact CG-CG2 4.48Å
27P81.2Confident80.9Confident59 Ų5989.6 Ų89.638%0.38348%0.479SS..  trans-50.1144.2163.6-27.734.7000112.5D29 I30P27-D29 WeakPolarHBondContact CB-OD1 3.31Å; P27-D29 PolarHBondContact O-N 3.17Å; P27-I30 HydrophobicContact CB-CD1 4.19Å; P27-I30 HydrophobicContact CB-CG1 4.24Å; P27-I30 HydrophobicContact CG-CD1 4.03Å; P27-I30 PolarHBondContact O-N 2.67Å
28A82.9Confident81.9Confident114 Ų11490.8 Ų90.894%0.94249%0.49SS*.THydrogen-bonded Turntrans-69.6-14-172.500000114.3I30A28-I30 VanDerWaalsContact C-N 3.34Å
29D88.6Confident82.9Confident142 Ų14290.4 Ų90.476%0.75949%0.488SS*.THydrogen-bonded Turntrans-88.11.9177.357-38.4000113.4P27P27-D29 WeakPolarHBondContact CB-OD1 3.31Å; P27-D29 PolarHBondContact O-N 3.17Å
30I90.9Very high84.1Confident38 Ų3890.7 Ų90.720%0.19548%0.478CS..  trans-98.9115.9176.2-58-178.6000110.2L26 P27 A28 I118 A122L26-I30 HydrophobicContact CD1-CG2 4.48Å; P27-I30 HydrophobicContact CB-CD1 4.19Å; P27-I30 HydrophobicContact CB-CG1 4.24Å; P27-I30 HydrophobicContact CG-CD1 4.03Å; P27-I30 PolarHBondContact O-N 2.67Å; A28-I30 VanDerWaalsContact C-N 3.34Å; I30-I118 HydrophobicContact CD1-CG2 3.98Å; I30-I118 HydrophobicContact CG2-CG2 4.2Å; I30-A122 HydrophobicContact CD1-CB 3.48Å; I30-A122 VanDerWaalsContact CD1-CB 3.48Å; I30-A122 HydrophobicContact CG1-CB 3.92Å
31E92.1Very high85.3Confident169 Ų16991.6 Ų91.679%0.7948%0.483SS*.  trans-89.5112.4162.7-174.8176.2176.700109.4
32L91.4Very high86.9Confident73 Ų7390.7 Ų90.738%0.38247%0.472SS..  trans-93.7112.1179.6-176.667.9000110.7L24 L26 V34 I118L24-L32 HydrophobicContact CD1-CD2 4.35Å; L26-L32 HydrophobicContact CD1-CB 4.39Å; L26-L32 HydrophobicContact CD1-CD2 4.14Å; L32-V34 HydrophobicContact CD2-CG2 3.98Å; L32-V34 HydrophobicContact CG-CG2 3.87Å; L32-I118 HydrophobicContact CD1-CD1 4.17Å; L32-I118 HydrophobicContact CD2-CD1 4.29Å
33I92.6Very high88.5Confident112 Ų11285.5 Ų85.557%0.57446%0.455SS*.  trans-97.6129.1168-61.1167.2000107.9I65I33-I65 HydrophobicContact CD1-CD1 3.66Å
34V91Very high89.6Confident78 Ų7884.4 Ų84.447%0.47345%0.45SS..  trans-116.4130.3180-164.40000110.8L18 L32L18-V34 HydrophobicContact CD2-CB 3.89Å; L18-V34 HydrophobicContact CD2-CG1 3.33Å; L18-V34 HydrophobicContact CG-CG1 4.49Å; L32-V34 HydrophobicContact CD2-CG2 3.98Å; L32-V34 HydrophobicContact CG-CG2 3.87Å
35E91.8Very high90.5Very high99 Ų9984.5 Ų84.546%0.46345%0.45SS..  trans-125.4137.2177.9-179.3178145.700110.2F37 R56E35-F37 PolarHBondContact O-N 2.8Å; E35-R56 VanDerWaalsContact CD-NE 3.29Å; E35-R56 WeakPolarHBondContact OE1-CD 3.37Å; E35-R56 IonicContact OE1-CZ 3.45Å; E35-R56 IonicContact OE1-NE 3.37Å; E35-R56 PolarHBondContact OE1-NE 2.85Å; E35-R56 IonicContact OE2-CZ 2.7Å; E35-R56 IonicContact OE2-NE 3.3Å; E35-R56 PolarHBondContact OE2-NE 2.92Å; E35-R56 IonicContact OE2-NH2 3.34Å; E35-R56 PolarHBondContact OE2-NH2 3.19Å
36D90.8Very high91.4Very high85 Ų8577.8 Ų77.846%0.45543%0.432SS..  trans-92.590.2170.7-166.22.7000109.2
37F93.5Very high92.2Very high72 Ų7276.4 Ų76.432%0.31643%0.426SS..  trans-72.6-45.5-178.5174.4-97.8000112.2E35 T49 Q52 L53 R56E35-F37 PolarHBondContact O-N 2.8Å; F37-T49 HydrophobicContact CE1-CG2 4.24Å; F37-Q52 HydrophobicContact CE2-CB 4.42Å; F37-Q52 HydrophobicContact CZ-CB 3.79Å; F37-L53 HydrophobicContact CD1-CD1 4.19Å; F37-L53 HydrophobicContact CE1-CB 3.95Å; F37-L53 HydrophobicContact CE1-CD1 4.22Å; F37-L53 HydrophobicContact CG-CD1 4.37Å; F37-L53 HydrophobicContact CZ-CB 3.88Å; F37-L53 HydrophobicContact CZ-CD1 4.42Å; F37-R56 HydrophobicContact CD2-CB 4.25Å; F37-R56 HydrophobicContact CD2-CG 4.14Å; F37-R56 HydrophobicContact CE2-CB 3.98Å; F37-R56 HydrophobicContact CE2-CG 4.38Å
38S91.6Very high93Very high52 Ų5278.6 Ų78.636%0.36443%0.431SS..  trans-159.3149.8176.876.50000110.5
39N89.6Confident93.7Very high75 Ų7574 Ų7440%0.40139%0.391SS..  trans-120.269.4175.7-171.410.2000110.3D12D12-N39 PolarHBondContact O-ND2 3.11Å
40L92.3Very high94.2Very high81 Ų8167.4 Ų67.442%0.42436%0.356SS..  trans-117.5144.2-178.4-63.7175.3000110.8H44 I45L40-H44 HydrophobicContact CB-CB 4.47Å; L40-I45 HydrophobicContact CB-CD1 4.29Å; L40-I45 HydrophobicContact CD1-CD1 4.44Å
41P93Very high94.5Very high36 Ų3667.2 Ų67.223%0.23435%0.354CS..  trans-66.8143.9165.131.7-34.5000109.4P43 H44P41-P43 VanDerWaalsContact C-N 3.32Å; P41-P43 VanDerWaalsContact O-N 3.16Å; P41-H44 HydrophobicContact CG-CB 4.24Å; P41-H44 WeakPolarHBondContact CG-ND1 3.31Å; P41-H44 WeakPolarHBondContact O-CB 3.31Å; P41-H44 PolarHBondContact O-N 3.21Å
42S96.6Very high94.8Very high8 Ų863.6 Ų63.66%0.05634%0.337CS..G310 helixtrans-55-34.1-174.246.10000115.6H44 I45 G73 D75 T76S42-H44 PolarHBondContact O-N 3.33Å; S42-H44 VanDerWaalsContact O-N 3.1Å; S42-I45 WeakPolarHBondContact O-CB 3.22Å; S42-I45 WeakPolarHBondContact O-CG1 3.33Å; S42-I45 PolarHBondContact O-N 3.46Å; S42-G73 VanDerWaalsContact CB-O 3.25Å; S42-G73 WeakPolarHBondContact CB-O 3.45Å; S42-G73 WeakPolarHBondContact OG-CA 2.86Å; S42-G73 PolarHBondContact OG-O 2.84Å; S42-D75 WeakPolarHBondContact OG-CB 3.28Å; S42-D75 PolarHBondContact OG-N 3.38Å; S42-D75 VanDerWaalsContact OG-N 3.13Å; S42-T76 WeakPolarHBondContact CB-OG1 3.34Å; S42-T76 WeakPolarHBondContact O-CG2 3.47Å; S42-T76 PolarHBondContact O-OG1 2.99Å
43P96.3Very high95.1Very high80 Ų8061 Ų6152%0.51932%0.323SS..G310 helixtrans-62.6-14.5174.1-24.737.1000115P41 D75P41-P43 VanDerWaalsContact C-N 3.32Å; P41-P43 VanDerWaalsContact O-N 3.16Å; P43-D75 HydrophobicContact CG-CB 4.17Å; P43-D75 WeakPolarHBondContact CG-OD2 3.24Å
44H96.8Very high95.4Very high120 Ų12055.6 Ų55.656%0.55630%0.296SS*.G310 helixtrans-93.3-3.3176.7-62.8-171.8000112.7L40 P41 S42 T46L40-H44 HydrophobicContact CB-CB 4.47Å; P41-H44 HydrophobicContact CG-CB 4.24Å; P41-H44 WeakPolarHBondContact CG-ND1 3.31Å; P41-H44 WeakPolarHBondContact O-CB 3.31Å; P41-H44 PolarHBondContact O-N 3.21Å; S42-H44 PolarHBondContact O-N 3.33Å; S42-H44 VanDerWaalsContact O-N 3.1Å; H44-T46 PolarHBondContact O-N 2.97Å
45I97.8Very high95.8Very high25 Ų2555.2 Ų55.213%0.12829%0.289CS..  trans-70.4129.6177.7-60.9-67000109.2L40 S42 T49 M50L40-I45 HydrophobicContact CB-CD1 4.29Å; L40-I45 HydrophobicContact CD1-CD1 4.44Å; S42-I45 WeakPolarHBondContact O-CB 3.22Å; S42-I45 WeakPolarHBondContact O-CG1 3.33Å; S42-I45 PolarHBondContact O-N 3.46Å; I45-T49 HydrophobicContact CD1-CG2 3.79Å; I45-T49 HydrophobicContact CG2-CG2 4.37Å; I45-M50 HydrophobicContact CG2-CE 3.92Å; I45-M50 HydrophobicContact CG2-CG 4.05Å
46T97.3Very high96.1Very high68 Ų6853.7 Ų53.742%0.41728%0.278SS..  trans-113.1168.9179.563.80000111H44 E48 T49 M50H44-T46 PolarHBondContact O-N 2.97Å; T46-E48 PolarHBondContact O-N 3.02Å; T46-E48 PolarHBondContact OG1-N 3.2Å; T46-T49 PolarHBondContact N-OG1 2.9Å; T46-T49 WeakPolarHBondContact O-CB 3.37Å; T46-T49 PolarHBondContact O-N 3.46Å; T46-T49 PolarHBondContact OG1-N 2.83Å; T46-T49 PolarHBondContact OG1-OG1 3.45Å; T46-T49 VanDerWaalsContact OG1-OG1 3.08Å; T46-M50 WeakPolarHBondContact O-CG 2.83Å; T46-M50 PolarHBondContact O-N 2.81Å
47V97.6Very high96.5Very high18 Ų1849.9 Ų49.911%0.10926%0.258CS..Hα-helixtrans-58.5-36.5171.5-179.50000111T49 M50 F51 F83 F189 L289 L292V47-T49 VanDerWaalsContact C-N 3.35Å; V47-T49 PolarHBondContact O-N 3.3Å; V47-M50 PolarHBondContact O-N 2.89Å; V47-F51 WeakPolarHBondContact O-CB 3.37Å; V47-F51 PolarHBondContact O-N 2.88Å; V47-F83 HydrophobicContact CG1-CE2 4.31Å; V47-F189 HydrophobicContact CG1-CB 3.68Å; V47-F189 HydrophobicContact CG1-CD2 4.17Å; V47-F189 HydrophobicContact CG1-CG 3.96Å; V47-L289 HydrophobicContact CG2-CD2 4.15Å; V47-L292 HydrophobicContact CG1-CD1 3.98Å; V47-L292 HydrophobicContact CG1-CD2 4.12Å; V47-L292 HydrophobicContact CG2-CD1 4.04Å
48E97.8Very high96.7Very high105 Ų10548.6 Ų48.649%0.49125%0.252SS..Hα-helixtrans-59.3-44.3173.3179.2-179.2-169.200111.8T46 M50 F51 Q52 F189T46-E48 PolarHBondContact O-N 3.02Å; T46-E48 PolarHBondContact OG1-N 3.2Å; E48-M50 VanDerWaalsContact C-N 3.35Å; E48-M50 PolarHBondContact O-N 3.4Å; E48-F51 PolarHBondContact O-N 3.43Å; E48-Q52 WeakPolarHBondContact O-CG 3.25Å; E48-Q52 PolarHBondContact O-N 3.32Å; E48-F189 HydrophobicContact CB-CE2 3.88Å; E48-F189 HydrophobicContact CB-CZ 3.74Å; E48-F189 HydrophobicContact CG-CE2 4.47Å; E48-F189 HydrophobicContact CG-CZ 3.91Å
49T97.9Very high97Very high17 Ų1747.6 Ų47.610%0.10425%0.247CC..Hα-helixtrans-63.2-42.6177.1-50.20000111F37 I45 T46 V47 F51 Q52 L53F37-T49 HydrophobicContact CE1-CG2 4.24Å; I45-T49 HydrophobicContact CD1-CG2 3.79Å; I45-T49 HydrophobicContact CG2-CG2 4.37Å; T46-T49 PolarHBondContact N-OG1 2.9Å; T46-T49 WeakPolarHBondContact O-CB 3.37Å; T46-T49 PolarHBondContact O-N 3.46Å; T46-T49 PolarHBondContact OG1-N 2.83Å; T46-T49 PolarHBondContact OG1-OG1 3.45Å; T46-T49 VanDerWaalsContact OG1-OG1 3.08Å; V47-T49 VanDerWaalsContact C-N 3.35Å; V47-T49 PolarHBondContact O-N 3.3Å; T49-F51 VanDerWaalsContact C-N 3.33Å; T49-F51 PolarHBondContact O-N 3.1Å; T49-Q52 PolarHBondContact O-N 2.99Å; T49-L53 WeakPolarHBondContact O-CB 3.36Å; T49-L53 PolarHBondContact O-N 3.35Å
50M98.5Very high97.4Very high5 Ų544.3 Ų44.33%0.02523%0.231CC..Hα-helixtrans-63.3-38.9176.1-61174.3-170.900111.7I45 T46 V47 E48 L53 K54 E79 T80 F83 L289I45-M50 HydrophobicContact CG2-CE 3.92Å; I45-M50 HydrophobicContact CG2-CG 4.05Å; T46-M50 WeakPolarHBondContact O-CG 2.83Å; T46-M50 PolarHBondContact O-N 2.81Å; V47-M50 PolarHBondContact O-N 2.89Å; E48-M50 VanDerWaalsContact C-N 3.35Å; E48-M50 PolarHBondContact O-N 3.4Å; M50-L53 PolarHBondContact O-N 3.39Å; M50-K54 PolarHBondContact O-N 3.4Å; M50-E79 HydrophobicContact CE-CB 3.79Å; M50-T80 HydrophobicContact CG-CG2 4.28Å; M50-F83 HydrophobicContact CB-CB 4.44Å; M50-F83 HydrophobicContact CB-CD1 3.58Å; M50-F83 HydrophobicContact CB-CD2 4.48Å; M50-F83 HydrophobicContact CB-CE1 3.86Å; M50-F83 HydrophobicContact CB-CG 3.92Å; M50-F83 HydrophobicContact CB-CZ 4.42Å; M50-F83 WeakPolarHBondContact O-CE1 3.17Å; M50-F83 HydrophobicContact SD-CB 3.87Å; M50-F83 HydrophobicContact SD-CD2 4.49Å; M50-F83 HydrophobicContact SD-CG 4.11Å; M50-L289 HydrophobicContact SD-CD2 4.28Å
51F98.4Very high97.7Very high33 Ų3344.6 Ų44.615%0.14523%0.228CC..Hα-helixtrans-65.6-46.2176.5-174.1-84.5000111.9V47 E48 T49 L53 K54 E55 F83 I186 D187 F189V47-F51 WeakPolarHBondContact O-CB 3.37Å; V47-F51 PolarHBondContact O-N 2.88Å; E48-F51 PolarHBondContact O-N 3.43Å; T49-F51 VanDerWaalsContact C-N 3.33Å; T49-F51 PolarHBondContact O-N 3.1Å; F51-L53 VanDerWaalsContact C-N 3.28Å; F51-L53 PolarHBondContact O-N 3.36Å; F51-K54 WeakPolarHBondContact O-CB 3.23Å; F51-K54 PolarHBondContact O-N 3.08Å; F51-E55 HydrophobicContact CD1-CG 4.24Å; F51-E55 HydrophobicContact CE1-CG 3.86Å; F51-E55 HydrophobicContact CZ-CG 4.39Å; F51-E55 PolarHBondContact O-N 3.27Å; F51-F83 HydrophobicContact CB-CZ 4.36Å; F51-F83 HydrophobicContact CD2-CZ 4.5Å; F51-I186 VanDerWaalsContact CE2-O 3.31Å; F51-I186 WeakPolarHBondContact CE2-O 3.44Å; F51-D187 WeakPolarHBondContact CZ-O 3.47Å; F51-F189 HydrophobicContact CB-CD1 3.9Å; F51-F189 HydrophobicContact CB-CE1 3.84Å; F51-F189 HydrophobicContact CD1-CD1 4.37Å; F51-F189 AromaticContact CD1-CE1 3.95Å; F51-F189 HydrophobicContact CD1-CE1 3.95Å; F51-F189 AromaticContact CD2-CD1 3.61Å; F51-F189 HydrophobicContact CD2-CD1 3.61Å; F51-F189 HydrophobicContact CD2-CE1 4.04Å; F51-F189 HydrophobicContact CE2-CD1 4.19Å; F51-F189 AromaticContact CG-CD1 3.71Å; F51-F189 HydrophobicContact CG-CD1 3.71Å; F51-F189 AromaticContact CG-CE1 3.68Å; F51-F189 HydrophobicContact CG-CE1 3.68Å
52Q98.2Very high97.9Very high94 Ų9451 Ų5144%0.43926%0.255SS..Hα-helixtrans-59.6-40.7174.6-70.7170.4-6.500111.4F37 E48 T49 E55 R56F37-Q52 HydrophobicContact CE2-CB 4.42Å; F37-Q52 HydrophobicContact CZ-CB 3.79Å; E48-Q52 WeakPolarHBondContact O-CG 3.25Å; E48-Q52 PolarHBondContact O-N 3.32Å; T49-Q52 PolarHBondContact O-N 2.99Å; Q52-E55 PolarHBondContact O-N 3.3Å; Q52-R56 PolarHBondContact O-N 2.78Å
53L98.5Very high98Very high17 Ų1756.4 Ų56.49%0.08928%0.279CS..Hα-helixtrans-63.4-44.5176.4179.960.7000111.6F37 T49 M50 F51 E55 R56 I57 I70 T80 L84F37-L53 HydrophobicContact CD1-CD1 4.19Å; F37-L53 HydrophobicContact CE1-CB 3.95Å; F37-L53 HydrophobicContact CE1-CD1 4.22Å; F37-L53 HydrophobicContact CG-CD1 4.37Å; F37-L53 HydrophobicContact CZ-CB 3.88Å; F37-L53 HydrophobicContact CZ-CD1 4.42Å; T49-L53 WeakPolarHBondContact O-CB 3.36Å; T49-L53 PolarHBondContact O-N 3.35Å; M50-L53 PolarHBondContact O-N 3.39Å; F51-L53 VanDerWaalsContact C-N 3.28Å; F51-L53 PolarHBondContact O-N 3.36Å; L53-E55 PolarHBondContact O-N 3.09Å; L53-R56 PolarHBondContact O-N 3.16Å; L53-I57 HydrophobicContact CD1-CD1 4.16Å; L53-I57 HydrophobicContact CD1-CG1 4.37Å; L53-I57 HydrophobicContact CG-CD1 3.96Å; L53-I57 WeakPolarHBondContact O-CD1 3.47Å; L53-I57 VanDerWaalsContact O-CG1 3.25Å; L53-I57 WeakPolarHBondContact O-CG1 3.35Å; L53-I57 PolarHBondContact O-N 2.87Å; L53-I70 HydrophobicContact CD2-CD1 4.14Å; L53-I70 HydrophobicContact CD2-CG2 4.14Å; L53-T80 HydrophobicContact CD2-CG2 3.8Å; L53-L84 HydrophobicContact CD2-CD1 4.14Å
54K98.6Very high98.1Very high0 Ų055.2 Ų55.20%028%0.282CS..Hα-helixtrans-55.4-48.4174.3-179.7-161.263.6133.40111.5M50 F51 I57 K58 F83 L84 T87 I88 D185 I186M50-K54 PolarHBondContact O-N 3.4Å; F51-K54 WeakPolarHBondContact O-CB 3.23Å; F51-K54 PolarHBondContact O-N 3.08Å; K54-I57 PolarHBondContact O-N 3.36Å; K54-K58 HydrophobicContact CG-CD 4.44Å; K54-K58 WeakPolarHBondContact O-CG 3.45Å; K54-K58 PolarHBondContact O-N 3.43Å; K54-F83 HydrophobicContact CB-CE1 4.07Å; K54-F83 HydrophobicContact CD-CE1 4.23Å; K54-L84 HydrophobicContact CB-CD2 3.9Å; K54-L84 HydrophobicContact CG-CD2 4.47Å; K54-T87 HydrophobicContact CD-CG2 4.24Å; K54-I88 HydrophobicContact CB-CD1 4.36Å; K54-I88 HydrophobicContact CD-CG2 4.03Å; K54-I88 HydrophobicContact CG-CB 4.48Å; K54-I88 HydrophobicContact CG-CD1 3.77Å; K54-I88 HydrophobicContact CG-CG1 4Å; K54-I88 HydrophobicContact CG-CG2 3.67Å; K54-D185 IonicContact NZ-OD1 3.13Å; K54-D185 PolarHBondContact NZ-OD1 3.01Å; K54-I186 PolarHBondContact NZ-O 2.91Å
55E98.4Very high98.1Very high70 Ų7051.5 Ų51.533%0.32727%0.266SS..Hα-helixtrans-67-37.2179.2-66.9-55127.900112.4F51 Q52 L53 I57 K58 A59F51-E55 HydrophobicContact CD1-CG 4.24Å; F51-E55 HydrophobicContact CE1-CG 3.86Å; F51-E55 HydrophobicContact CZ-CG 4.39Å; F51-E55 PolarHBondContact O-N 3.27Å; Q52-E55 PolarHBondContact O-N 3.3Å; L53-E55 PolarHBondContact O-N 3.09Å; E55-I57 PolarHBondContact O-N 3.04Å; E55-K58 WeakPolarHBondContact O-CB 3.47Å; E55-K58 PolarHBondContact O-N 3.18Å; E55-K58 IonicContact OE1-NZ 2.66Å; E55-K58 PolarHBondContact OE1-NZ 3.05Å; E55-K58 IonicContact OE2-NZ 3.59Å; E55-K58 PolarHBondContact OE2-NZ 3.44Å; E55-A59 PolarHBondContact O-N 2.55Å
56R98.4Very high98.1Very high66 Ų6656.6 Ų56.625%0.24929%0.293CS..Hα-helixtrans-62.9-41.3173.7177.560.4-166.6112.3-9.1112.3E35 F37 Q52 L53 K58 A59 A60 E63E35-R56 VanDerWaalsContact CD-NE 3.29Å; E35-R56 WeakPolarHBondContact OE1-CD 3.37Å; E35-R56 IonicContact OE1-CZ 3.45Å; E35-R56 IonicContact OE1-NE 3.37Å; E35-R56 PolarHBondContact OE1-NE 2.85Å; E35-R56 IonicContact OE2-CZ 2.7Å; E35-R56 IonicContact OE2-NE 3.3Å; E35-R56 PolarHBondContact OE2-NE 2.92Å; E35-R56 IonicContact OE2-NH2 3.34Å; E35-R56 PolarHBondContact OE2-NH2 3.19Å; F37-R56 HydrophobicContact CD2-CB 4.25Å; F37-R56 HydrophobicContact CD2-CG 4.14Å; F37-R56 HydrophobicContact CE2-CB 3.98Å; F37-R56 HydrophobicContact CE2-CG 4.38Å; Q52-R56 PolarHBondContact O-N 2.78Å; L53-R56 PolarHBondContact O-N 3.16Å; R56-K58 VanDerWaalsContact C-N 3.34Å; R56-A59 WeakPolarHBondContact O-CB 3.44Å; R56-A59 PolarHBondContact O-N 3.02Å; R56-A60 VanDerWaalsContact NH1-N 3.19Å; R56-A60 PolarHBondContact O-N 3.17Å; R56-E63 IonicContact CZ-OE2 2.66Å; R56-E63 IonicContact NH1-OE1 2.68Å; R56-E63 IonicContact NH1-OE2 2.95Å; R56-E63 PolarHBondContact NH1-OE2 3.01Å; R56-E63 IonicContact NH2-OE2 2.84Å; R56-E63 PolarHBondContact NH2-OE2 3.34Å; R56-E63 VanDerWaalsContact NH2-OE2 3.15Å
57I98.5Very high98.1Very high5 Ų555 Ų553%0.02628%0.284CS..Hα-helixtrans-64.1-39.7176.1-66.2162.6000110.7L53 K54 E55 A60 K61 V68 I70 L84 I88 L91 M92 I94L53-I57 HydrophobicContact CD1-CD1 4.16Å; L53-I57 HydrophobicContact CD1-CG1 4.37Å; L53-I57 HydrophobicContact CG-CD1 3.96Å; L53-I57 WeakPolarHBondContact O-CD1 3.47Å; L53-I57 VanDerWaalsContact O-CG1 3.25Å; L53-I57 WeakPolarHBondContact O-CG1 3.35Å; L53-I57 PolarHBondContact O-N 2.87Å; K54-I57 PolarHBondContact O-N 3.36Å; E55-I57 PolarHBondContact O-N 3.04Å; I57-A60 WeakPolarHBondContact O-CB 3.39Å; I57-A60 PolarHBondContact O-N 2.95Å; I57-K61 PolarHBondContact O-N 2.81Å; I57-V68 HydrophobicContact CD1-CG2 4.46Å; I57-V68 HydrophobicContact CG1-CG2 4.28Å; I57-V68 HydrophobicContact CG2-CG2 4.12Å; I57-I70 HydrophobicContact CD1-CD1 3.96Å; I57-L84 HydrophobicContact CD1-CD1 3.99Å; I57-L84 HydrophobicContact CD1-CD2 3.95Å; I57-I88 HydrophobicContact CB-CD1 3.95Å; I57-I88 HydrophobicContact CD1-CD1 4.29Å; I57-I88 HydrophobicContact CG2-CD1 3.77Å; I57-L91 HydrophobicContact CG2-CD2 4.18Å; I57-M92 HydrophobicContact CG2-CE 4.05Å; I57-M92 HydrophobicContact CG2-SD 4.46Å; I57-M92 WeakPolarHBondContact O-CE 3.23Å; I57-I94 HydrophobicContact CD1-CG2 4.49Å; I57-I94 HydrophobicContact CG2-CD1 4.08Å; I57-I94 HydrophobicContact CG2-CG1 4.28Å
58K98.5Very high98.2Very high46 Ų4655.1 Ų55.120%0.229%0.286CS..Hα-helixtrans-60.8-44.1173-73.7167.262179.20111.9K54 E55 R56 K61 Q62 I88 L91 D185K54-K58 HydrophobicContact CG-CD 4.44Å; K54-K58 WeakPolarHBondContact O-CG 3.45Å; K54-K58 PolarHBondContact O-N 3.43Å; E55-K58 WeakPolarHBondContact O-CB 3.47Å; E55-K58 PolarHBondContact O-N 3.18Å; E55-K58 IonicContact OE1-NZ 2.66Å; E55-K58 PolarHBondContact OE1-NZ 3.05Å; E55-K58 IonicContact OE2-NZ 3.59Å; E55-K58 PolarHBondContact OE2-NZ 3.44Å; R56-K58 VanDerWaalsContact C-N 3.34Å; K58-K61 WeakPolarHBondContact O-CB 3.22Å; K58-K61 PolarHBondContact O-N 3.1Å; K58-Q62 PolarHBondContact O-N 3.17Å; K58-I88 HydrophobicContact CD-CG2 4.11Å; K58-I88 HydrophobicContact CG-CG2 4.35Å; K58-L91 HydrophobicContact CB-CD2 4.46Å; K58-L91 HydrophobicContact CG-CD2 3.8Å; K58-D185 WeakPolarHBondContact CE-OD2 3.45Å; K58-D185 IonicContact NZ-OD1 2.8Å; K58-D185 IonicContact NZ-OD2 2.94Å; K58-D185 PolarHBondContact NZ-OD2 3.33Å
59A98.4Very high98.2Very high31 Ų3152.2 Ų52.226%0.25628%0.275SS..Hα-helixtrans-62.5-43.2173.900000112E55 R56 K61 Q62 E63E55-A59 PolarHBondContact O-N 2.55Å; R56-A59 WeakPolarHBondContact O-CB 3.44Å; R56-A59 PolarHBondContact O-N 3.02Å; A59-K61 VanDerWaalsContact C-N 3.26Å; A59-K61 PolarHBondContact O-N 3.43Å; A59-Q62 WeakPolarHBondContact O-CA 3.43Å; A59-Q62 WeakPolarHBondContact O-CB 3.37Å; A59-Q62 PolarHBondContact O-N 2.96Å; A59-E63 WeakPolarHBondContact O-CG 3.47Å; A59-E63 PolarHBondContact O-N 3.21Å
60A98.2Very high98.2Very high6 Ų652.3 Ų52.35%0.0528%0.275CS..Hα-helixtrans-57.7-39.8176.400000111.5R56 I57 Q62 E63 G64 I65R56-A60 VanDerWaalsContact NH1-N 3.19Å; R56-A60 PolarHBondContact O-N 3.17Å; I57-A60 WeakPolarHBondContact O-CB 3.39Å; I57-A60 PolarHBondContact O-N 2.95Å; A60-Q62 VanDerWaalsContact C-N 3.31Å; A60-Q62 PolarHBondContact O-N 2.74Å; A60-E63 PolarHBondContact O-N 2.8Å; A60-G64 PolarHBondContact O-N 2.92Å; A60-I65 HydrophobicContact CB-CB 4.1Å; A60-I65 HydrophobicContact CB-CG1 3.96Å; A60-I65 VanDerWaalsContact O-CB 3.26Å; A60-I65 WeakPolarHBondContact O-CB 3.42Å; A60-I65 WeakPolarHBondContact O-CG1 3.47Å; A60-I65 PolarHBondContact O-N 3.41Å
61K98.1Very high98.1Very high86 Ų8654.8 Ų54.837%0.37429%0.29SS..Hα-helixtrans-59.8-42.7174.3-170.957.3-178.81730112.3I57 K58 A59 E63 G64 L91 M92I57-K61 PolarHBondContact O-N 2.81Å; K58-K61 WeakPolarHBondContact O-CB 3.22Å; K58-K61 PolarHBondContact O-N 3.1Å; A59-K61 VanDerWaalsContact C-N 3.26Å; A59-K61 PolarHBondContact O-N 3.43Å; K61-E63 VanDerWaalsContact C-N 3.3Å; K61-G64 PolarHBondContact O-N 2.8Å; K61-L91 HydrophobicContact CB-CD1 4.41Å; K61-L91 HydrophobicContact CB-CD2 4.29Å; K61-L91 HydrophobicContact CB-CG 4.31Å; K61-L91 HydrophobicContact CG-CD1 4.04Å; K61-L91 HydrophobicContact CG-CG 4.22Å; K61-M92 HydrophobicContact CB-CE 3.38Å; K61-M92 HydrophobicContact CD-CB 4.36Å; K61-M92 HydrophobicContact CD-CE 3.71Å; K61-M92 HydrophobicContact CG-CE 4.05Å
62Q98Very high98Very high171 Ų17154.3 Ų54.380%0.79929%0.288SS*.Hα-helixtrans-69.9-29.5179.7-65.6174.4-4.700112.2K58 A59 A60 G64K58-Q62 PolarHBondContact O-N 3.17Å; A59-Q62 WeakPolarHBondContact O-CA 3.43Å; A59-Q62 WeakPolarHBondContact O-CB 3.37Å; A59-Q62 PolarHBondContact O-N 2.96Å; A60-Q62 VanDerWaalsContact C-N 3.31Å; A60-Q62 PolarHBondContact O-N 2.74Å; Q62-G64 PolarHBondContact O-N 3.3Å
63E97.9Very high97.9Very high121 Ų12151 Ų5157%0.56528%0.279SS*.THydrogen-bonded Turntrans-74.1-5.6173.7-69.3160.7-173.500113.1R56 A59 A60 K61R56-E63 IonicContact CZ-OE2 2.66Å; R56-E63 IonicContact NH1-OE1 2.68Å; R56-E63 IonicContact NH1-OE2 2.95Å; R56-E63 PolarHBondContact NH1-OE2 3.01Å; R56-E63 IonicContact NH2-OE2 2.84Å; R56-E63 PolarHBondContact NH2-OE2 3.34Å; R56-E63 VanDerWaalsContact NH2-OE2 3.15Å; A59-E63 WeakPolarHBondContact O-CG 3.47Å; A59-E63 PolarHBondContact O-N 3.21Å; A60-E63 PolarHBondContact O-N 2.8Å; K61-E63 VanDerWaalsContact C-N 3.3Å
64G97.6Very high97.8Very high55 Ų5550.9 Ų50.957%0.56728%0.279SS*.THydrogen-bonded Turntrans91.815.1178.500000114.7A60 K61 Q62A60-G64 PolarHBondContact O-N 2.92Å; K61-G64 PolarHBondContact O-N 2.8Å; Q62-G64 PolarHBondContact O-N 3.3Å
65I97.9Very high97.8Very high43 Ų4355 Ų5522%0.22130%0.301CS..  trans-70130.7174-57.9-60.9000110.5I33 A60 S67 V68I33-I65 HydrophobicContact CD1-CD1 3.66Å; A60-I65 HydrophobicContact CB-CB 4.1Å; A60-I65 HydrophobicContact CB-CG1 3.96Å; A60-I65 VanDerWaalsContact O-CB 3.26Å; A60-I65 WeakPolarHBondContact O-CB 3.42Å; A60-I65 WeakPolarHBondContact O-CG1 3.47Å; A60-I65 PolarHBondContact O-N 3.41Å; I65-S67 WeakPolarHBondContact CG2-O 3.34Å; I65-V68 HydrophobicContact CG2-CG1 4.18Å
66D97.6Very high97.8Very high131 Ų13152.4 Ų52.470%0.70129%0.29SS*.  trans-78.8-36.9-176.8-67-54.8000113.7P93D66-P93 WeakPolarHBondContact O-CD 3.47Å
67S98.1Very high97.8Very high34 Ų3449.3 Ų49.324%0.23828%0.278CS..  trans-156.6160.4-178.1620000111.3I65 P93 A121I65-S67 WeakPolarHBondContact CG2-O 3.34Å; S67-P93 WeakPolarHBondContact CA-O 3.39Å; S67-A121 WeakPolarHBondContact CB-O 3.5Å; S67-A121 PolarHBondContact OG-O 3.46Å
68V98.2Very high97.8Very high22 Ų2249.6 Ų49.613%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-127139.1178.2-66.80000112I57 I65 M92 P93 I94 I95I57-V68 HydrophobicContact CD1-CG2 4.46Å; I57-V68 HydrophobicContact CG1-CG2 4.28Å; I57-V68 HydrophobicContact CG2-CG2 4.12Å; I65-V68 HydrophobicContact CG2-CG1 4.18Å; V68-M92 HydrophobicContact CB-SD 4.39Å; V68-M92 HydrophobicContact CG1-SD 3.74Å; V68-M92 HydrophobicContact CG2-SD 4.11Å; V68-P93 PolarHBondContact N-O 2.95Å; V68-I94 HydrophobicContact CG2-CB 3.97Å; V68-I94 HydrophobicContact CG2-CG1 3.65Å; V68-I94 HydrophobicContact CG2-CG2 3.93Å; V68-I95 PolarHBondContact O-N 2.91Å
69V98.1Very high97.8Very high43 Ų4349.1 Ų49.126%0.26128%0.278SS..EExtended strand (participates in β ladder)trans-114.6123.9168.6178.70000108.7I95 T97 F114 A117 I118 A121V69-I95 CarbonylContact C-O 3.25Å; V69-I95 VanDerWaalsContact CA-O 3.31Å; V69-I95 WeakPolarHBondContact CA-O 3.47Å; V69-I95 HydrophobicContact CG2-CB 4.41Å; V69-T97 HydrophobicContact CG1-CG2 3.93Å; V69-F114 HydrophobicContact CG1-CD2 4.01Å; V69-F114 HydrophobicContact CG1-CE2 3.87Å; V69-A117 HydrophobicContact CG1-CB 3.76Å; V69-A117 HydrophobicContact CG2-CB 4.45Å; V69-I118 HydrophobicContact CG2-CG1 4.12Å; V69-A121 HydrophobicContact CG2-CB 3.6Å
70I98.1Very high97.8Very high20 Ų2047.7 Ų47.710%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-108.1112.6-179.5-57.1152.4000108L53 I57 H72 L84 I94 I95 L96 T97L53-I70 HydrophobicContact CD2-CD1 4.14Å; L53-I70 HydrophobicContact CD2-CG2 4.14Å; I57-I70 HydrophobicContact CD1-CD1 3.96Å; I70-H72 HydrophobicContact CG2-CB 4.48Å; I70-L84 HydrophobicContact CD1-CD1 3.61Å; I70-I94 HydrophobicContact CD1-CG2 3.8Å; I70-I95 PolarHBondContact N-O 3.42Å; I70-L96 HydrophobicContact CB-CG 4.14Å; I70-L96 HydrophobicContact CD1-CD1 4.19Å; I70-L96 HydrophobicContact CD1-CG 4.04Å; I70-L96 WeakPolarHBondContact O-CA 3.18Å; I70-T97 PolarHBondContact O-N 3Å
71T96.2Very high97.8Very high57 Ų5747.4 Ų47.435%0.3526%0.264SS..EExtended strand (participates in β ladder)trans-79.8119.5170.259.20000109.1L17 T97 F114L17-T71 HydrophobicContact CD1-CG2 3.63Å; T71-T97 HydrophobicContact CG2-CG2 4.35Å; T71-F114 HydrophobicContact CG2-CD2 3.77Å; T71-F114 HydrophobicContact CG2-CE2 3.77Å
72H97.1Very high97.8Very high22 Ų2243.5 Ų43.510%0.10225%0.247CC..  trans-134.6148.5-171.6-159.6-80.7000111.4I70 T76 L77 T80 T97 G98I70-H72 HydrophobicContact CG2-CB 4.48Å; H72-T76 PolarHBondContact CE1-OG1 3.25Å; H72-L77 HydrophobicContact CB-CD1 4.18Å; H72-L77 HydrophobicContact CB-CG 4.25Å; H72-T80 PolarHBondContact CE1-OG1 3.22Å; H72-T80 PolarHBondContact NE2-OG1 2.93Å; H72-T97 PolarHBondContact N-O 2.94Å; H72-G98 WeakPolarHBondContact O-CA 3.45Å
73G95.7Very high97.9Very high24 Ų2435.4 Ų35.425%0.24721%0.209CC..  trans-66.8147.117000000111.1S42 D75 L77S42-G73 VanDerWaalsContact CB-O 3.25Å; S42-G73 WeakPolarHBondContact CB-O 3.45Å; S42-G73 WeakPolarHBondContact OG-CA 2.86Å; S42-G73 PolarHBondContact OG-O 2.84Å; G73-D75 PolarHBondContact O-N 3.42Å; G73-L77 WeakPolarHBondContact O-CB 3.46Å
74T97.3Very high97.9Very high15 Ų1529.6 Ų29.69%0.09218%0.182CC..SBendtrans-77.9-17.3-164.956.90000114.7A99 M100 M135 K147 F156T74-A99 VanDerWaalsContact CG2-O 3.31Å; T74-A99 WeakPolarHBondContact CG2-O 3.33Å; T74-M100 HydrophobicContact CG2-SD 3.74Å; T74-M100 PolarHBondContact OG1-SD 3.47Å; T74-M100 VanDerWaalsContact OG1-SD 3.4Å; T74-M135 HydrophobicContact CG2-CE 4.33Å; T74-K147 WeakPolarHBondContact O-CD 3.41Å; T74-K147 PolarHBondContact OG1-NZ 2.9Å; T74-F156 HydrophobicContact CG2-CE2 3.85Å; T74-F156 HydrophobicContact CG2-CZ 4.32Å; T74-F156 WeakPolarHBondContact O-CZ 2.85Å
75D97.2Very high97.9Very high87 Ų8727.1 Ų27.147%0.46516%0.155SC..SBendtrans-69.7-38-172.2-65.7-21.5000113.7S42 P43 G73 K147S42-D75 WeakPolarHBondContact OG-CB 3.28Å; S42-D75 PolarHBondContact OG-N 3.38Å; S42-D75 VanDerWaalsContact OG-N 3.13Å; P43-D75 HydrophobicContact CG-CB 4.17Å; P43-D75 WeakPolarHBondContact CG-OD2 3.24Å; G73-D75 PolarHBondContact O-N 3.42Å; D75-K147 IonicContact OD1-NZ 2.67Å; D75-K147 PolarHBondContact OD1-NZ 3.33Å
76T98.2Very high97.9Very high16 Ų1625.2 Ų25.210%0.09815%0.146CC..SBendtrans-120.112.5-177.960.50000112.2S42 H72 E78 E79 T80S42-T76 WeakPolarHBondContact CB-OG1 3.34Å; S42-T76 WeakPolarHBondContact O-CG2 3.47Å; S42-T76 PolarHBondContact O-OG1 2.99Å; H72-T76 PolarHBondContact CE1-OG1 3.25Å; T76-E78 PolarHBondContact O-N 2.66Å; T76-E79 WeakPolarHBondContact O-CB 3.34Å; T76-E79 PolarHBondContact O-N 3.06Å; T76-T80 PolarHBondContact O-N 3.29Å; T76-T80 VanDerWaalsContact O-N 3.16Å
77L98.6Very high97.9Very high0 Ų019.4 Ų19.40%012%0.115CC..Hα-helixtrans-54.9-42.3179-173.6156.9000111.4H72 G73 E79 T80 A81 L96 V133 F156H72-L77 HydrophobicContact CB-CD1 4.18Å; H72-L77 HydrophobicContact CB-CG 4.25Å; G73-L77 WeakPolarHBondContact O-CB 3.46Å; L77-E79 PolarHBondContact O-N 3.47Å; L77-T80 PolarHBondContact O-N 3.42Å; L77-A81 VanDerWaalsContact O-CB 3.24Å; L77-A81 WeakPolarHBondContact O-CB 3.49Å; L77-A81 PolarHBondContact O-N 3.28Å; L77-L96 HydrophobicContact CD1-CB 4.47Å; L77-L96 HydrophobicContact CD2-CB 4.02Å; L77-L96 HydrophobicContact CD2-CD2 4.45Å; L77-L96 HydrophobicContact CG-CB 4.17Å; L77-L96 HydrophobicContact CG-CD2 4.25Å; L77-V133 HydrophobicContact CD2-CB 4.15Å; L77-V133 HydrophobicContact CD2-CG1 3.53Å; L77-V133 HydrophobicContact CD2-CG2 3.48Å; L77-V133 VanDerWaalsContact CD2-CG2 3.48Å; L77-F156 HydrophobicContact CB-CE1 4.09Å; L77-F156 HydrophobicContact CB-CZ 3.85Å; L77-F156 HydrophobicContact CD1-CZ 4.09Å; L77-F156 HydrophobicContact CD2-CE1 3.88Å; L77-F156 HydrophobicContact CD2-CZ 4.18Å; L77-F156 HydrophobicContact CG-CE1 4.41Å; L77-F156 HydrophobicContact CG-CZ 4.27Å
78E98.3Very high97.9Very high11 Ų1118.4 Ų18.45%0.05111%0.107CC..Hα-helixtrans-64.3-29.1-179.969.1172.4140.400113.3T76 Y82 T146 N283 Q285 K286T76-E78 PolarHBondContact O-N 2.66Å; E78-Y82 WeakPolarHBondContact O-CB 3.4Å; E78-Y82 PolarHBondContact O-N 2.68Å; E78-Y82 VanDerWaalsContact O-N 3.08Å; E78-T146 VanDerWaalsContact CD-OG1 3.29Å; E78-T146 PolarHBondContact OE1-OG1 2.86Å; E78-T146 VanDerWaalsContact OE2-CA 3.27Å; E78-T146 WeakPolarHBondContact OE2-CA 3.38Å; E78-T146 WeakPolarHBondContact OE2-CB 3.32Å; E78-T146 PolarHBondContact OE2-OG1 3.03Å; E78-N283 PolarHBondContact OE2-ND2 2.77Å; E78-Q285 PolarHBondContact OE1-NE2 3Å; E78-K286 IonicContact OE2-NZ 3.06Å; E78-K286 PolarHBondContact OE2-NZ 3.04Å
79E98.6Very high97.9Very high37 Ų3717.4 Ų17.417%0.17310%0.101CC..Hα-helixtrans-75.3-49.7178.1-69.4-177.3-99.700110.2M50 T76 L77 A81 Y82 F83 Q285 L289M50-E79 HydrophobicContact CE-CB 3.79Å; T76-E79 WeakPolarHBondContact O-CB 3.34Å; T76-E79 PolarHBondContact O-N 3.06Å; L77-E79 PolarHBondContact O-N 3.47Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 2.61Å; E79-Y82 PolarHBondContact O-N 2.7Å; E79-F83 WeakPolarHBondContact O-CB 3.4Å; E79-F83 PolarHBondContact O-N 2.8Å; E79-Q285 HydrophobicContact CG-CB 3.79Å; E79-Q285 HydrophobicContact CG-CG 3.73Å; E79-L289 HydrophobicContact CB-CD1 3.86Å; E79-L289 HydrophobicContact CG-CD1 4.41Å; E79-L289 WeakPolarHBondContact O-CD1 3.43Å
80T98.8Very high97.7Very high1 Ų118.5 Ų18.51%0.00611%0.105CC..Hα-helixtrans-59.4-45.1175.3-56.10000111.1M50 L53 H72 T76 L77 Y82 F83 L84 L96M50-T80 HydrophobicContact CG-CG2 4.28Å; L53-T80 HydrophobicContact CD2-CG2 3.8Å; H72-T80 PolarHBondContact CE1-OG1 3.22Å; H72-T80 PolarHBondContact NE2-OG1 2.93Å; T76-T80 PolarHBondContact O-N 3.29Å; T76-T80 VanDerWaalsContact O-N 3.16Å; L77-T80 PolarHBondContact O-N 3.42Å; T80-Y82 VanDerWaalsContact C-N 3.31Å; T80-Y82 PolarHBondContact O-N 3.49Å; T80-F83 PolarHBondContact O-N 2.91Å; T80-L84 HydrophobicContact CG2-CD1 4.25Å; T80-L84 WeakPolarHBondContact O-CG 3.37Å; T80-L84 PolarHBondContact O-N 2.67Å; T80-L84 VanDerWaalsContact O-N 3.08Å; T80-L96 HydrophobicContact CG2-CD2 3.92Å
81A98.8Very high97.6Very high0 Ų020.5 Ų20.50%012%0.116CC..Hα-helixtrans-58.5-46.1177.400000111.2L77 E79 L84 E85 L96 V131 V133 A142L77-A81 VanDerWaalsContact O-CB 3.24Å; L77-A81 WeakPolarHBondContact O-CB 3.49Å; L77-A81 PolarHBondContact O-N 3.28Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 2.61Å; A81-L84 PolarHBondContact O-N 2.97Å; A81-E85 WeakPolarHBondContact O-CB 3.48Å; A81-E85 PolarHBondContact O-N 3.08Å; A81-L96 HydrophobicContact CB-CD1 3.74Å; A81-L96 HydrophobicContact CB-CD2 3.92Å; A81-L96 HydrophobicContact CB-CG 4.32Å; A81-V131 HydrophobicContact CB-CG1 4.29Å; A81-V133 HydrophobicContact CB-CG2 3.71Å; A81-A142 HydrophobicContact CB-CB 3.73Å; A81-A142 WeakPolarHBondContact O-CB 3.44Å
82Y98.4Very high97.7Very high4 Ų418.2 Ų18.22%0.01610%0.102CC..Hα-helixtrans-67.4-43.6179.9-174.3-112.5000112.4E78 E79 T80 L84 E85 I86 R143 I282 K286 L289 K290E78-Y82 WeakPolarHBondContact O-CB 3.4Å; E78-Y82 PolarHBondContact O-N 2.68Å; E78-Y82 VanDerWaalsContact O-N 3.08Å; E79-Y82 PolarHBondContact O-N 2.7Å; T80-Y82 VanDerWaalsContact C-N 3.31Å; T80-Y82 PolarHBondContact O-N 3.49Å; Y82-L84 VanDerWaalsContact C-N 3.29Å; Y82-L84 PolarHBondContact O-N 3.13Å; Y82-E85 WeakPolarHBondContact O-CB 3.25Å; Y82-E85 PolarHBondContact O-N 3.08Å; Y82-I86 HydrophobicContact CD1-CD1 4.1Å; Y82-I86 HydrophobicContact CD1-CG1 4.36Å; Y82-I86 HydrophobicContact CE1-CD1 3.49Å; Y82-I86 VanDerWaalsContact CE1-CD1 3.49Å; Y82-I86 HydrophobicContact CE1-CG1 4.09Å; Y82-I86 HydrophobicContact CE2-CG2 3.86Å; Y82-I86 VanDerWaalsContact O-CG1 3.24Å; Y82-I86 WeakPolarHBondContact O-CG1 3.26Å; Y82-I86 PolarHBondContact O-N 3.34Å; Y82-R143 HydrophobicContact CE2-CG 4.11Å; Y82-I282 HydrophobicContact CE1-CD1 4.34Å; Y82-I282 HydrophobicContact CE2-CG2 4.47Å; Y82-I282 WeakPolarHBondContact OH-CD1 3.31Å; Y82-K286 HydrophobicContact CD1-CB 3.54Å; Y82-K286 HydrophobicContact CD1-CD 4.09Å; Y82-K286 HydrophobicContact CD1-CG 3.66Å; Y82-K286 HydrophobicContact CD2-CD 3.73Å; Y82-K286 HydrophobicContact CD2-CG 4.24Å; Y82-K286 HydrophobicContact CE1-CB 3.71Å; Y82-K286 HydrophobicContact CE1-CG 4.3Å; Y82-K286 WeakPolarHBondContact CE1-O 3.4Å; Y82-K286 HydrophobicContact CE2-CD 4.27Å; Y82-K286 HydrophobicContact CG-CB 3.97Å; Y82-K286 HydrophobicContact CG-CD 3.6Å; Y82-K286 HydrophobicContact CG-CG 3.62Å; Y82-L289 HydrophobicContact CD1-CB 4.17Å; Y82-L289 HydrophobicContact CD1-CD1 4.31Å; Y82-L289 HydrophobicContact CE1-CB 4.49Å; Y82-K290 HydrophobicContact CE1-CB 4.09Å; Y82-K290 WeakPolarHBondContact OH-CD 3.27Å
83F98.6Very high97.8Very high0 Ų017.7 Ų17.70%010%0.1CC..Hα-helixtrans-54.4-46.8175.6178-93000111.6V47 M50 F51 K54 E79 T80 T87 I186 L289 I293V47-F83 HydrophobicContact CG1-CE2 4.31Å; M50-F83 HydrophobicContact CB-CB 4.44Å; M50-F83 HydrophobicContact CB-CD1 3.58Å; M50-F83 HydrophobicContact CB-CD2 4.48Å; M50-F83 HydrophobicContact CB-CE1 3.86Å; M50-F83 HydrophobicContact CB-CG 3.92Å; M50-F83 HydrophobicContact CB-CZ 4.42Å; M50-F83 WeakPolarHBondContact O-CE1 3.17Å; M50-F83 HydrophobicContact SD-CB 3.87Å; M50-F83 HydrophobicContact SD-CD2 4.49Å; M50-F83 HydrophobicContact SD-CG 4.11Å; F51-F83 HydrophobicContact CB-CZ 4.36Å; F51-F83 HydrophobicContact CD2-CZ 4.5Å; K54-F83 HydrophobicContact CB-CE1 4.07Å; K54-F83 HydrophobicContact CD-CE1 4.23Å; E79-F83 WeakPolarHBondContact O-CB 3.4Å; E79-F83 PolarHBondContact O-N 2.8Å; T80-F83 PolarHBondContact O-N 2.91Å; F83-T87 HydrophobicContact CE1-CG2 4.37Å; F83-T87 HydrophobicContact CE2-CG2 4.36Å; F83-T87 HydrophobicContact CZ-CG2 4.23Å; F83-T87 WeakPolarHBondContact O-CB 3.11Å; F83-T87 VanDerWaalsContact O-CG2 3.29Å; F83-T87 WeakPolarHBondContact O-CG2 3.44Å; F83-T87 PolarHBondContact O-N 3.37Å; F83-T87 PolarHBondContact O-OG1 2.89Å; F83-I186 HydrophobicContact CE2-CD1 4.21Å; F83-I186 HydrophobicContact CZ-CD1 4.49Å; F83-L289 HydrophobicContact CB-CD1 4.18Å; F83-L289 HydrophobicContact CD2-CD2 4.34Å; F83-I293 HydrophobicContact CD2-CD1 4.02Å; F83-I293 HydrophobicContact CE2-CD1 4.26Å; F83-I293 HydrophobicContact CE2-CG1 4.49Å
84L98.7Very high97.9Very high0 Ų016.6 Ų16.60%09%0.088CC..Hα-helixtrans-66.1-38.5176.7-65173.7000111.7L53 K54 I57 I70 T80 A81 Y82 I86 T87 I88 G89 I94 L96 V131L53-L84 HydrophobicContact CD2-CD1 4.14Å; K54-L84 HydrophobicContact CB-CD2 3.9Å; K54-L84 HydrophobicContact CG-CD2 4.47Å; I57-L84 HydrophobicContact CD1-CD1 3.99Å; I57-L84 HydrophobicContact CD1-CD2 3.95Å; I70-L84 HydrophobicContact CD1-CD1 3.61Å; T80-L84 HydrophobicContact CG2-CD1 4.25Å; T80-L84 WeakPolarHBondContact O-CG 3.37Å; T80-L84 PolarHBondContact O-N 2.67Å; T80-L84 VanDerWaalsContact O-N 3.08Å; A81-L84 PolarHBondContact O-N 2.97Å; Y82-L84 VanDerWaalsContact C-N 3.29Å; Y82-L84 PolarHBondContact O-N 3.13Å; L84-I86 PolarHBondContact O-N 3.4Å; L84-T87 WeakPolarHBondContact CA-OG1 3.3Å; L84-T87 PolarHBondContact O-N 2.67Å; L84-T87 PolarHBondContact O-OG1 2.99Å; L84-I88 HydrophobicContact CD2-CD1 4.08Å; L84-I88 HydrophobicContact CD2-CG1 4.21Å; L84-I88 CarbonylContact O-C 3.56Å; L84-I88 PolarHBondContact O-N 3Å; L84-G89 PolarHBondContact O-N 3.35Å; L84-I94 HydrophobicContact CD1-CG2 4.14Å; L84-L96 HydrophobicContact CD1-CD1 4.36Å; L84-V131 HydrophobicContact CB-CG1 4.48Å; L84-V131 HydrophobicContact CB-CG2 3.75Å
85E98Very high98Very high2 Ų215.9 Ų15.91%0.0098%0.084CC..Hα-helixtrans-57.9-48.3177.3169.158.4-175.500112.1A81 Y82 T87 G89 G130 V131 A142 R143 A181 R183A81-E85 WeakPolarHBondContact O-CB 3.48Å; A81-E85 PolarHBondContact O-N 3.08Å; Y82-E85 WeakPolarHBondContact O-CB 3.25Å; Y82-E85 PolarHBondContact O-N 3.08Å; E85-T87 VanDerWaalsContact C-N 3.32Å; E85-T87 PolarHBondContact O-N 3.45Å; E85-G89 PolarHBondContact O-N 3.34Å; E85-G130 WeakPolarHBondContact OE2-CA 3.25Å; E85-V131 HydrophobicContact CB-CB 4.04Å; E85-V131 HydrophobicContact CB-CG2 4.12Å; E85-V131 PolarHBondContact OE2-N 3.35Å; E85-A142 HydrophobicContact CB-CB 3.9Å; E85-A142 HydrophobicContact CG-CB 4.45Å; E85-R143 IonicContact OE1-NH2 3.99Å; E85-R143 PolarHBondContact OE1-NH2 3.28Å; E85-A181 WeakPolarHBondContact OE1-CB 3.16Å; E85-R183 WeakPolarHBondContact O-CD 3.39Å; E85-R183 PolarHBondContact O-NE 2.66Å; E85-R183 IonicContact OE1-NH2 2.7Å; E85-R183 PolarHBondContact OE1-NH2 2.81Å; E85-R183 IonicContact OE2-NH2 3.94Å; E85-R183 PolarHBondContact OE2-NH2 2.7Å
86I97.4Very high98Very high4 Ų411.7 Ų11.72%0.0216%0.062CC..Hα-helixtrans-89.35.5-175.754.8160.9000114.3Y82 L84 R183 Y184 K290 I293 F307Y82-I86 HydrophobicContact CD1-CD1 4.1Å; Y82-I86 HydrophobicContact CD1-CG1 4.36Å; Y82-I86 HydrophobicContact CE1-CD1 3.49Å; Y82-I86 VanDerWaalsContact CE1-CD1 3.49Å; Y82-I86 HydrophobicContact CE1-CG1 4.09Å; Y82-I86 HydrophobicContact CE2-CG2 3.86Å; Y82-I86 VanDerWaalsContact O-CG1 3.24Å; Y82-I86 WeakPolarHBondContact O-CG1 3.26Å; Y82-I86 PolarHBondContact O-N 3.34Å; L84-I86 PolarHBondContact O-N 3.4Å; I86-R183 VanDerWaalsContact O-CA 3.27Å; I86-R183 WeakPolarHBondContact O-CA 3.48Å; I86-Y184 PolarHBondContact O-N 2.92Å; I86-K290 HydrophobicContact CD1-CB 4.14Å; I86-K290 HydrophobicContact CD1-CG 4.16Å; I86-I293 HydrophobicContact CB-CD1 4.49Å; I86-I293 HydrophobicContact CD1-CB 4.41Å; I86-I293 HydrophobicContact CD1-CD1 3.26Å; I86-I293 HydrophobicContact CD1-CG1 4.38Å; I86-I293 HydrophobicContact CG1-CD1 3.47Å; I86-I293 VanDerWaalsContact CG1-CD1 3.47Å; I86-F307 HydrophobicContact CD1-CZ 4.45Å
87T98.3Very high98Very high8 Ų811.1 Ų11.15%0.0496%0.058CC..Hα-helixtrans-113.3-57.517254.20000112K54 F83 L84 E85 I186 I293K54-T87 HydrophobicContact CD-CG2 4.24Å; F83-T87 HydrophobicContact CE1-CG2 4.37Å; F83-T87 HydrophobicContact CE2-CG2 4.36Å; F83-T87 HydrophobicContact CZ-CG2 4.23Å; F83-T87 WeakPolarHBondContact O-CB 3.11Å; F83-T87 VanDerWaalsContact O-CG2 3.29Å; F83-T87 WeakPolarHBondContact O-CG2 3.44Å; F83-T87 PolarHBondContact O-N 3.37Å; F83-T87 PolarHBondContact O-OG1 2.89Å; L84-T87 WeakPolarHBondContact CA-OG1 3.3Å; L84-T87 PolarHBondContact O-N 2.67Å; L84-T87 PolarHBondContact O-OG1 2.99Å; E85-T87 VanDerWaalsContact C-N 3.32Å; E85-T87 PolarHBondContact O-N 3.45Å; T87-I186 HydrophobicContact CG2-CG1 4.36Å; T87-I293 HydrophobicContact CG2-CD1 3.64Å; T87-I293 HydrophobicContact CG2-CG1 4.19Å
88I97.9Very high97.9Very high13 Ų1311.6 Ų11.67%0.0676%0.063CC..Hα-helixtrans-131.516.9-169.663.8163.9000114.6K54 I57 K58 L84 D90 L91 I94K54-I88 HydrophobicContact CB-CD1 4.36Å; K54-I88 HydrophobicContact CD-CG2 4.03Å; K54-I88 HydrophobicContact CG-CB 4.48Å; K54-I88 HydrophobicContact CG-CD1 3.77Å; K54-I88 HydrophobicContact CG-CG1 4Å; K54-I88 HydrophobicContact CG-CG2 3.67Å; I57-I88 HydrophobicContact CB-CD1 3.95Å; I57-I88 HydrophobicContact CD1-CD1 4.29Å; I57-I88 HydrophobicContact CG2-CD1 3.77Å; K58-I88 HydrophobicContact CD-CG2 4.11Å; K58-I88 HydrophobicContact CG-CG2 4.35Å; L84-I88 HydrophobicContact CD2-CD1 4.08Å; L84-I88 HydrophobicContact CD2-CG1 4.21Å; L84-I88 CarbonylContact O-C 3.56Å; L84-I88 PolarHBondContact O-N 3Å; I88-D90 VanDerWaalsContact C-N 3.25Å; I88-D90 PolarHBondContact O-N 2.73Å; I88-L91 HydrophobicContact CB-CB 4.33Å; I88-L91 HydrophobicContact CB-CD2 4.45Å; I88-L91 HydrophobicContact CD1-CD2 4.23Å; I88-L91 WeakPolarHBondContact O-CB 3.15Å; I88-L91 PolarHBondContact O-N 2.89Å; I88-I94 HydrophobicContact CD1-CD1 3.96Å; I88-I94 HydrophobicContact CG1-CD1 4.02Å
89G96.9Very high97.8Very high1 Ų112.9 Ų12.91%0.018%0.076CC..THydrogen-bonded Turntrans-58.9-22.1-164.600000118L84 E85 G130L84-G89 PolarHBondContact O-N 3.35Å; E85-G89 PolarHBondContact O-N 3.34Å; G89-G130 CarbonylContact O-C 3.52Å; G89-G130 VanDerWaalsContact O-C 3.25Å; G89-G130 VanDerWaalsContact O-CA 3.29Å; G89-G130 WeakPolarHBondContact O-CA 3.39Å
90D94.4Very high97.7Very high66 Ų6612.6 Ų12.635%0.3538%0.075SC..THydrogen-bonded Turntrans-103.712.2177-66.8-16.6000113.2I88 M92 G130 R183I88-D90 VanDerWaalsContact C-N 3.25Å; I88-D90 PolarHBondContact O-N 2.73Å; D90-M92 VanDerWaalsContact C-N 3.33Å; D90-M92 PolarHBondContact O-N 3.49Å; D90-G130 WeakPolarHBondContact OD1-CA 3.34Å; D90-G130 PolarHBondContact OD1-N 3.26Å; D90-R183 VanDerWaalsContact CG-CZ 3.46Å; D90-R183 VanDerWaalsContact CG-NH1 3.28Å; D90-R183 VanDerWaalsContact CG-NH2 3.29Å; D90-R183 IonicContact OD1-CZ 3.53Å; D90-R183 IonicContact OD1-NH1 3.2Å; D90-R183 IonicContact OD1-NH2 3.37Å; D90-R183 PolarHBondContact OD1-NH2 3.48Å; D90-R183 IonicContact OD2-CZ 3.5Å; D90-R183 VanDerWaalsContact OD2-CZ 3.3Å; D90-R183 IonicContact OD2-NH1 2.9Å; D90-R183 PolarHBondContact OD2-NH1 3.04Å; D90-R183 IonicContact OD2-NH2 3.15Å; D90-R183 PolarHBondContact OD2-NH2 3.47Å
91L97Very high97.4Very high62 Ų6217.6 Ų17.633%0.3259%0.094SC..SBendtrans-64.2-39.2179.2-179.865.7000112.4I57 K58 K61 I88I57-L91 HydrophobicContact CG2-CD2 4.18Å; K58-L91 HydrophobicContact CB-CD2 4.46Å; K58-L91 HydrophobicContact CG-CD2 3.8Å; K61-L91 HydrophobicContact CB-CD1 4.41Å; K61-L91 HydrophobicContact CB-CD2 4.29Å; K61-L91 HydrophobicContact CB-CG 4.31Å; K61-L91 HydrophobicContact CG-CD1 4.04Å; K61-L91 HydrophobicContact CG-CG 4.22Å; I88-L91 HydrophobicContact CB-CB 4.33Å; I88-L91 HydrophobicContact CB-CD2 4.45Å; I88-L91 HydrophobicContact CD1-CD2 4.23Å; I88-L91 WeakPolarHBondContact O-CB 3.15Å; I88-L91 PolarHBondContact O-N 2.89Å
92M97.5Very high96.8Very high10 Ų1018.1 Ų18.15%0.04910%0.097CC..SBendtrans-167.3172.5176.365173.68800107.9I57 K61 V68 D90 I94I57-M92 HydrophobicContact CG2-CE 4.05Å; I57-M92 HydrophobicContact CG2-SD 4.46Å; I57-M92 WeakPolarHBondContact O-CE 3.23Å; K61-M92 HydrophobicContact CB-CE 3.38Å; K61-M92 HydrophobicContact CD-CB 4.36Å; K61-M92 HydrophobicContact CD-CE 3.71Å; K61-M92 HydrophobicContact CG-CE 4.05Å; V68-M92 HydrophobicContact CB-SD 4.39Å; V68-M92 HydrophobicContact CG1-SD 3.74Å; V68-M92 HydrophobicContact CG2-SD 4.11Å; D90-M92 VanDerWaalsContact C-N 3.33Å; D90-M92 PolarHBondContact O-N 3.49Å; M92-I94 HydrophobicContact CG-CG1 3.97Å; M92-I94 PolarHBondContact O-N 3.34Å; M92-I94 VanDerWaalsContact O-N 3.11Å
93P98.2Very high96.1Very high11 Ų1120.6 Ų20.67%0.07111%0.11CC..  trans-58.8116.7166-21.533.4000111D66 S67 V68 I95 A126 I127D66-P93 WeakPolarHBondContact O-CD 3.47Å; S67-P93 WeakPolarHBondContact CA-O 3.39Å; V68-P93 PolarHBondContact N-O 2.95Å; P93-I95 HydrophobicContact CB-CD1 3.84Å; P93-A126 HydrophobicContact CB-CB 4.27Å; P93-I127 HydrophobicContact CG-CG1 4.01Å
94I98.7Very high95.3Very high0 Ų024.8 Ų24.80%013%0.132CC..EExtended strand (participates in β ladder)trans-117.9113.4177.2-61.2165.4000108I57 V68 I70 L84 I88 M92 L96 V131 L132I57-I94 HydrophobicContact CD1-CG2 4.49Å; I57-I94 HydrophobicContact CG2-CD1 4.08Å; I57-I94 HydrophobicContact CG2-CG1 4.28Å; V68-I94 HydrophobicContact CG2-CB 3.97Å; V68-I94 HydrophobicContact CG2-CG1 3.65Å; V68-I94 HydrophobicContact CG2-CG2 3.93Å; I70-I94 HydrophobicContact CD1-CG2 3.8Å; L84-I94 HydrophobicContact CD1-CG2 4.14Å; I88-I94 HydrophobicContact CD1-CD1 3.96Å; I88-I94 HydrophobicContact CG1-CD1 4.02Å; M92-I94 HydrophobicContact CG-CG1 3.97Å; M92-I94 PolarHBondContact O-N 3.34Å; M92-I94 VanDerWaalsContact O-N 3.11Å; I94-L96 HydrophobicContact CG2-CD1 4.44Å; I94-V131 HydrophobicContact CB-CG1 4.45Å; I94-V131 HydrophobicContact CB-CG2 4.05Å; I94-V131 HydrophobicContact CD1-CG2 4.24Å; I94-V131 HydrophobicContact CG2-CG1 4.01Å; I94-V131 HydrophobicContact CG2-CG2 4.08Å; I94-V131 WeakPolarHBondContact O-CA 3.37Å; I94-L132 PolarHBondContact O-N 3.32Å
95I98.7Very high94.7Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-116.7125.6-175.8-65.960.3000108.9V68 V69 I70 P93 A117 V120 A121 L132 V134V68-I95 PolarHBondContact O-N 2.91Å; V69-I95 CarbonylContact C-O 3.25Å; V69-I95 VanDerWaalsContact CA-O 3.31Å; V69-I95 WeakPolarHBondContact CA-O 3.47Å; V69-I95 HydrophobicContact CG2-CB 4.41Å; I70-I95 PolarHBondContact N-O 3.42Å; P93-I95 HydrophobicContact CB-CD1 3.84Å; I95-A117 HydrophobicContact CG2-CB 3.69Å; I95-V120 HydrophobicContact CG1-CB 4.38Å; I95-V120 HydrophobicContact CG1-CG1 3.91Å; I95-A121 HydrophobicContact CD1-CB 3.69Å; I95-A121 HydrophobicContact CG1-CB 4.07Å; I95-L132 CarbonylContact C-O 3.52Å; I95-L132 WeakPolarHBondContact CA-O 3.32Å; I95-L132 HydrophobicContact CG1-CB 4.27Å; I95-V134 HydrophobicContact CG2-CB 4.02Å; I95-V134 HydrophobicContact CG2-CG2 3.58Å
96L98.8Very high94.1Very high0 Ų035.7 Ų35.70%019%0.188CC..EExtended strand (participates in β ladder)trans-97.8144.2166.5-65.785.7000110I70 L77 T80 A81 L84 I94 V131 L132 V133 V134I70-L96 HydrophobicContact CB-CG 4.14Å; I70-L96 HydrophobicContact CD1-CD1 4.19Å; I70-L96 HydrophobicContact CD1-CG 4.04Å; I70-L96 WeakPolarHBondContact O-CA 3.18Å; L77-L96 HydrophobicContact CD1-CB 4.47Å; L77-L96 HydrophobicContact CD2-CB 4.02Å; L77-L96 HydrophobicContact CD2-CD2 4.45Å; L77-L96 HydrophobicContact CG-CB 4.17Å; L77-L96 HydrophobicContact CG-CD2 4.25Å; T80-L96 HydrophobicContact CG2-CD2 3.92Å; A81-L96 HydrophobicContact CB-CD1 3.74Å; A81-L96 HydrophobicContact CB-CD2 3.92Å; A81-L96 HydrophobicContact CB-CG 4.32Å; L84-L96 HydrophobicContact CD1-CD1 4.36Å; I94-L96 HydrophobicContact CG2-CD1 4.44Å; L96-V131 HydrophobicContact CD1-CG1 3.23Å; L96-L132 PolarHBondContact N-O 3.01Å; L96-V133 HydrophobicContact CB-CG2 4.35Å; L96-V133 WeakPolarHBondContact O-CA 3.48Å; L96-V134 PolarHBondContact O-N 3.33Å
97T98.2Very high93.7Very high3 Ų337.5 Ų37.52%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-148.2165.3175.8-165.60000110.3V69 I70 T71 H72 N113 F114 A117 V134V69-T97 HydrophobicContact CG1-CG2 3.93Å; I70-T97 PolarHBondContact O-N 3Å; T71-T97 HydrophobicContact CG2-CG2 4.35Å; H72-T97 PolarHBondContact N-O 2.94Å; T97-N113 PolarHBondContact OG1-O 3.23Å; T97-F114 HydrophobicContact CG2-CD2 4.25Å; T97-A117 HydrophobicContact CG2-CB 3.68Å; T97-V134 WeakPolarHBondContact CB-O 3.42Å; T97-V134 PolarHBondContact OG1-O 3.15Å
98G96.2Very high93.3Very high11 Ų1138.8 Ų38.811%0.11322%0.217CC..  trans-161.9-169.6-177.500000111.6H72 N113 M135H72-G98 WeakPolarHBondContact O-CA 3.45Å; G98-N113 WeakPolarHBondContact O-CB 3.47Å; G98-N113 PolarHBondContact O-ND2 3.21Å; G98-M135 PolarHBondContact N-SD 2.86Å; G98-M135 VanDerWaalsContact O-SD 3.41Å
99A95.8Very high93.1Very high37 Ų3738.8 Ų38.831%0.30622%0.218SC..  trans-138.7137.4176.400000109.4T74 R101 D109 G110T74-A99 VanDerWaalsContact CG2-O 3.31Å; T74-A99 WeakPolarHBondContact CG2-O 3.33Å; A99-R101 WeakPolarHBondContact CB-O 3.42Å; A99-D109 WeakPolarHBondContact CA-OD2 3.24Å; A99-G110 VanDerWaalsContact CB-CA 3.47Å
100M95.5Very high92.9Very high32 Ų3239.2 Ų39.216%0.15822%0.221CC..SBendtrans-84.5-22.8170.9-70.2-60.8-65.300112T74 D109 M135 T150 V153 T155T74-M100 HydrophobicContact CG2-SD 3.74Å; T74-M100 PolarHBondContact OG1-SD 3.47Å; T74-M100 VanDerWaalsContact OG1-SD 3.4Å; M100-D109 PolarHBondContact N-OD1 3.34Å; M100-D109 VanDerWaalsContact N-OD1 3.08Å; M100-D109 PolarHBondContact N-OD2 3.05Å; M100-M135 HydrophobicContact CG-CE 4.46Å; M100-T150 WeakPolarHBondContact CE-O 3.36Å; M100-V153 HydrophobicContact CB-CG1 4.26Å; M100-T155 HydrophobicContact CE-CG2 3.82Å; M100-T155 HydrophobicContact CG-CG2 3.86Å; M100-T155 HydrophobicContact SD-CG2 3.48Å; M100-T155 WeakPolarHBondContact SD-CG2 3.49Å
101R92.3Very high92.7Very high106 Ų10638 Ų3840%0.422%0.215SC..SBendtrans-112.8144.8176.3-67170.6-178.4169.9-0.6110.4A99 E105 G107 S108 D109 V153A99-R101 WeakPolarHBondContact CB-O 3.42Å; R101-E105 VanDerWaalsContact CA-OE1 3.25Å; R101-E105 WeakPolarHBondContact CA-OE1 3.43Å; R101-E105 HydrophobicContact CB-CB 4.32Å; R101-E105 WeakPolarHBondContact CB-OE1 3.29Å; R101-G107 WeakPolarHBondContact CD-O 3.37Å; R101-G107 PolarHBondContact NH1-O 3.26Å; R101-S108 PolarHBondContact O-OG 3.31Å; R101-D109 PolarHBondContact N-OD1 2.85Å; R101-V153 HydrophobicContact CG-CG1 4.45Å
102S86.7Confident92.5Very high11 Ų1139.7 Ų39.78%0.07722%0.218CC..  trans-59.9154.3173.7-56.80000110.6V9 N104 E105 S108V9-S102 VanDerWaalsContact CG1-OG 3.29Å; V9-S102 WeakPolarHBondContact CG1-OG 3.39Å; V9-S102 WeakPolarHBondContact CG2-OG 3.44Å; S102-N104 WeakPolarHBondContact CB-OD1 3.24Å; S102-N104 PolarHBondContact O-N 2.88Å; S102-E105 PolarHBondContact N-OE1 3.48Å; S102-E105 PolarHBondContact O-N 3.33Å; S102-E105 VanDerWaalsContact O-N 3.12Å; S102-S108 WeakPolarHBondContact O-CB 3.42Å; S102-S108 PolarHBondContact O-OG 2.97Å
103I83.3Confident92.4Very high56 Ų5639.3 Ų39.329%0.28722%0.216SC..THydrogen-bonded Turntrans-65.1-26.6-173.5-161.5169.4000113.1M1 P16 L17 A20 S108M1-I103 PolarHBondContact O-N 3.13Å; P16-I103 HydrophobicContact CB-CD1 3.89Å; P16-I103 HydrophobicContact CB-CG2 3.87Å; P16-I103 HydrophobicContact CG-CB 4.41Å; P16-I103 HydrophobicContact CG-CD1 4.11Å; P16-I103 HydrophobicContact CG-CG2 3.9Å; L17-I103 HydrophobicContact CD2-CD1 4.07Å; A20-I103 HydrophobicContact CB-CD1 4.18Å; I103-S108 WeakPolarHBondContact CA-OG 3.16Å
104N83.4Confident92.2Very high87 Ų8739.6 Ų39.647%0.46522%0.216SC..THydrogen-bonded Turntrans-93.52.1179.566.6-40.5000113.8S2 Q3 S102S2-N104 VanDerWaalsContact CA-OD1 3.29Å; S2-N104 WeakPolarHBondContact CA-OD1 3.36Å; Q3-N104 PolarHBondContact N-ND2 3.44Å; Q3-N104 PolarHBondContact N-OD1 2.94Å; Q3-N104 PolarHBondContact O-ND2 3.32Å; S102-N104 WeakPolarHBondContact CB-OD1 3.24Å; S102-N104 PolarHBondContact O-N 2.88Å
105E85.1Confident91.9Very high53 Ų5341.5 Ų41.525%0.24823%0.225CC..SBendtrans-79.4142.6174-78.2179.8-52.600111Q3 R101 S102 G107 S108Q3-E105 HydrophobicContact CB-CG 4.25Å; Q3-E105 PolarHBondContact NE2-OE2 3.01Å; Q3-E105 VanDerWaalsContact NE2-OE2 3.15Å; Q3-E105 PolarHBondContact OE1-OE2 2.86Å; R101-E105 VanDerWaalsContact CA-OE1 3.25Å; R101-E105 WeakPolarHBondContact CA-OE1 3.43Å; R101-E105 HydrophobicContact CB-CB 4.32Å; R101-E105 WeakPolarHBondContact CB-OE1 3.29Å; S102-E105 PolarHBondContact N-OE1 3.48Å; S102-E105 PolarHBondContact O-N 3.33Å; S102-E105 VanDerWaalsContact O-N 3.12Å; E105-G107 PolarHBondContact O-N 3.11Å; E105-S108 WeakPolarHBondContact O-CB 3.48Å; E105-S108 PolarHBondContact O-N 3.36Å
106L86Confident91.7Very high178 Ų17841.5 Ų41.593%0.93223%0.225SC*.THydrogen-bonded Turntrans-61.5124.7173-179.864.9000109.7
107G88.1Confident91.7Very high43 Ų4341.5 Ų41.544%0.44323%0.225SC..THydrogen-bonded Turntrans74.629.4-175.300000113.2R101 E105R101-G107 WeakPolarHBondContact CD-O 3.37Å; R101-G107 PolarHBondContact NH1-O 3.26Å; E105-G107 PolarHBondContact O-N 3.11Å
108S90.5Very high91.5Very high34 Ų3441.6 Ų41.624%0.23823%0.225CC..  trans-51.6135.2167.2-171.20000111.2R101 S102 I103 E105 G110R101-S108 PolarHBondContact O-OG 3.31Å; S102-S108 WeakPolarHBondContact O-CB 3.42Å; S102-S108 PolarHBondContact O-OG 2.97Å; I103-S108 WeakPolarHBondContact CA-OG 3.16Å; E105-S108 WeakPolarHBondContact O-CB 3.48Å; E105-S108 PolarHBondContact O-N 3.36Å; S108-G110 PolarHBondContact OG-N 2.94Å
109D94.4Very high91.5Very high14 Ų1442.9 Ų42.98%0.07523%0.227CC..  trans-92.4-11.3177.158.8-44.9000112.6A99 M100 R101 Y112 N113 V153A99-D109 WeakPolarHBondContact CA-OD2 3.24Å; M100-D109 PolarHBondContact N-OD1 3.34Å; M100-D109 VanDerWaalsContact N-OD1 3.08Å; M100-D109 PolarHBondContact N-OD2 3.05Å; R101-D109 PolarHBondContact N-OD1 2.85Å; D109-Y112 PolarHBondContact O-N 3.45Å; D109-N113 VanDerWaalsContact O-CB 3.28Å; D109-N113 WeakPolarHBondContact O-CB 3.29Å; D109-N113 PolarHBondContact O-N 3.28Å; D109-N113 PolarHBondContact O-ND2 3.24Å; D109-N113 PolarHBondContact OD2-ND2 3.16Å; D109-V153 HydrophobicContact CB-CG1 4.41Å
110G92.3Very high91.5Very high9 Ų941.1 Ų41.19%0.09321%0.212CC..Hα-helixtrans-63.4-50.3-16800000115.3A99 S108 Y112 F114A99-G110 VanDerWaalsContact CB-CA 3.47Å; S108-G110 PolarHBondContact OG-N 2.94Å; G110-Y112 VanDerWaalsContact C-N 3.32Å; G110-Y112 PolarHBondContact O-N 3.39Å; G110-F114 VanDerWaalsContact O-CB 3.31Å; G110-F114 WeakPolarHBondContact O-CB 3.26Å; G110-F114 PolarHBondContact O-N 2.76Å
111L89.9Confident91.6Very high41 Ų4139.8 Ų39.822%0.21521%0.206CC..Hα-helixtrans-64.9-39.9-179.6-174.363.8000111.4L17 A20 E23 L24 F114 E115L17-L111 HydrophobicContact CD2-CD1 4.31Å; A20-L111 HydrophobicContact CB-CD1 3.97Å; E23-L111 HydrophobicContact CB-CD2 4.32Å; L24-L111 HydrophobicContact CD2-CD1 3.56Å; L24-L111 HydrophobicContact CD2-CG 4.27Å; L24-L111 HydrophobicContact CG-CD1 4.12Å; L111-F114 PolarHBondContact O-N 2.73Å; L111-E115 PolarHBondContact O-N 2.92Å
112Y92.2Very high91.8Very high98 Ų9837.3 Ų37.338%0.38421%0.209SC..Hα-helixtrans-70.5-44-179.2-176.7-103000112.3D109 G110 F114 E115 C116 D137D109-Y112 PolarHBondContact O-N 3.45Å; G110-Y112 VanDerWaalsContact C-N 3.32Å; G110-Y112 PolarHBondContact O-N 3.39Å; Y112-F114 VanDerWaalsContact C-N 3.28Å; Y112-F114 PolarHBondContact O-N 2.7Å; Y112-E115 PolarHBondContact O-N 3.12Å; Y112-C116 WeakPolarHBondContact O-CB 3.45Å; Y112-C116 PolarHBondContact O-N 3.21Å; Y112-C116 PolarHBondContact O-SG 3.41Å; Y112-D137 WeakPolarHBondContact CE1-OD1 3.25Å; Y112-D137 PolarHBondContact OH-OD1 3.27Å
113N95.6Very high92.2Very high2 Ų238.1 Ų38.11%0.01121%0.214CC..Hα-helixtrans-59.5-41.5172.9-72.8-19.7000110.8T97 G98 D109 C116 A117 N136T97-N113 PolarHBondContact OG1-O 3.23Å; G98-N113 WeakPolarHBondContact O-CB 3.47Å; G98-N113 PolarHBondContact O-ND2 3.21Å; D109-N113 VanDerWaalsContact O-CB 3.28Å; D109-N113 WeakPolarHBondContact O-CB 3.29Å; D109-N113 PolarHBondContact O-N 3.28Å; D109-N113 PolarHBondContact O-ND2 3.24Å; D109-N113 PolarHBondContact OD2-ND2 3.16Å; N113-C116 PolarHBondContact O-N 2.77Å; N113-A117 WeakPolarHBondContact O-CB 3.46Å; N113-A117 PolarHBondContact O-N 3.03Å; N113-N136 PolarHBondContact OD1-N 3.26Å
114F94Very high92.7Very high17 Ų1743.3 Ų43.38%0.07524%0.237CC..Hα-helixtrans-63.6-47.2177.8-174.7-133.4000112.8L17 L24 V69 T71 T97 G110 L111 Y112 C116 A117 I118L17-F114 HydrophobicContact CB-CD1 4.46Å; L17-F114 HydrophobicContact CB-CE1 4.4Å; L17-F114 HydrophobicContact CD1-CB 4.43Å; L17-F114 HydrophobicContact CD1-CD1 4.23Å; L17-F114 HydrophobicContact CD1-CG 4.17Å; L17-F114 HydrophobicContact CD2-CB 4.46Å; L17-F114 HydrophobicContact CD2-CD1 4.15Å; L24-F114 HydrophobicContact CD1-CD1 3.92Å; L24-F114 HydrophobicContact CD1-CE1 3.71Å; L24-F114 HydrophobicContact CD2-CD1 4.19Å; V69-F114 HydrophobicContact CG1-CD2 4.01Å; V69-F114 HydrophobicContact CG1-CE2 3.87Å; T71-F114 HydrophobicContact CG2-CD2 3.77Å; T71-F114 HydrophobicContact CG2-CE2 3.77Å; T97-F114 HydrophobicContact CG2-CD2 4.25Å; G110-F114 VanDerWaalsContact O-CB 3.31Å; G110-F114 WeakPolarHBondContact O-CB 3.26Å; G110-F114 PolarHBondContact O-N 2.76Å; L111-F114 PolarHBondContact O-N 2.73Å; Y112-F114 VanDerWaalsContact C-N 3.28Å; Y112-F114 PolarHBondContact O-N 2.7Å; F114-C116 VanDerWaalsContact C-N 3.31Å; F114-C116 PolarHBondContact O-N 3.02Å; F114-A117 PolarHBondContact O-N 2.9Å; F114-I118 HydrophobicContact CD1-CD1 4.18Å; F114-I118 HydrophobicContact CD2-CD1 4.25Å; F114-I118 HydrophobicContact CD2-CG1 4.39Å; F114-I118 HydrophobicContact CE1-CD1 3.87Å; F114-I118 HydrophobicContact CE2-CD1 3.93Å; F114-I118 HydrophobicContact CE2-CG1 4.13Å; F114-I118 HydrophobicContact CG-CD1 4.37Å; F114-I118 HydrophobicContact CZ-CD1 3.73Å; F114-I118 HydrophobicContact CZ-CG1 4.4Å; F114-I118 WeakPolarHBondContact O-CG1 3.29Å; F114-I118 PolarHBondContact O-N 2.72Å
115E93.3Very high93.2Very high40 Ų4042.3 Ų42.319%0.18724%0.237CC..Hα-helixtrans-58.1-44.8173.7-171.8-175.8124.400111.3L24 L26 L111 Y112 A117 I118 R119L24-E115 HydrophobicContact CD2-CB 3.89Å; L24-E115 HydrophobicContact CD2-CG 4.41Å; L26-E115 HydrophobicContact CD2-CG 4.3Å; L111-E115 PolarHBondContact O-N 2.92Å; Y112-E115 PolarHBondContact O-N 3.12Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-A117 PolarHBondContact O-N 3.15Å; E115-I118 PolarHBondContact O-N 3.12Å; E115-R119 VanDerWaalsContact O-CG 3.28Å; E115-R119 WeakPolarHBondContact O-CG 3.45Å; E115-R119 PolarHBondContact O-N 2.77Å
116C95.3Very high93.7Very high0 Ų039.8 Ų39.80%023%0.225CC..Hα-helixtrans-60.7-42.8177-70.10000112.1Y112 N113 F114 R119 V120 V134 V167Y112-C116 WeakPolarHBondContact O-CB 3.45Å; Y112-C116 PolarHBondContact O-N 3.21Å; Y112-C116 PolarHBondContact O-SG 3.41Å; N113-C116 PolarHBondContact O-N 2.77Å; F114-C116 VanDerWaalsContact C-N 3.31Å; F114-C116 PolarHBondContact O-N 3.02Å; C116-R119 PolarHBondContact O-N 2.78Å; C116-V120 WeakPolarHBondContact O-CG2 3.46Å; C116-V120 PolarHBondContact O-N 2.88Å; C116-V134 HydrophobicContact CB-CG1 3.91Å; C116-V167 HydrophobicContact CB-CB 4.48Å; C116-V167 HydrophobicContact CB-CG1 3.99Å; C116-V167 HydrophobicContact CB-CG2 4.34Å
117A97.1Very high94.1Very high0 Ų035.6 Ų35.60%020%0.203CC..Hα-helixtrans-63-43.417800000112.2V69 I95 T97 N113 F114 E115 V120 A121 V134V69-A117 HydrophobicContact CG1-CB 3.76Å; V69-A117 HydrophobicContact CG2-CB 4.45Å; I95-A117 HydrophobicContact CG2-CB 3.69Å; T97-A117 HydrophobicContact CG2-CB 3.68Å; N113-A117 WeakPolarHBondContact O-CB 3.46Å; N113-A117 PolarHBondContact O-N 3.03Å; F114-A117 PolarHBondContact O-N 2.9Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-A117 PolarHBondContact O-N 3.15Å; A117-V120 PolarHBondContact O-N 2.95Å; A117-A121 WeakPolarHBondContact O-CB 3.46Å; A117-A121 PolarHBondContact O-N 3Å; A117-V134 HydrophobicContact CB-CB 4.21Å; A117-V134 HydrophobicContact CB-CG1 4.45Å
118I95.5Very high94.4Very high5 Ų539.3 Ų39.33%0.02621%0.212CC..Hα-helixtrans-61.6-45.1174.9-65.1166.4000110.6L24 L26 I30 L32 V69 F114 E115 V120 A121 A122L24-I118 HydrophobicContact CD1-CD1 4.13Å; L26-I118 HydrophobicContact CD1-CD1 4.15Å; L26-I118 HydrophobicContact CD1-CG2 4.12Å; L26-I118 HydrophobicContact CD2-CB 4.04Å; L26-I118 HydrophobicContact CD2-CD1 4.08Å; L26-I118 HydrophobicContact CD2-CG2 3.63Å; L26-I118 HydrophobicContact CG-CG2 4.48Å; I30-I118 HydrophobicContact CD1-CG2 3.98Å; I30-I118 HydrophobicContact CG2-CG2 4.2Å; L32-I118 HydrophobicContact CD1-CD1 4.17Å; L32-I118 HydrophobicContact CD2-CD1 4.29Å; V69-I118 HydrophobicContact CG2-CG1 4.12Å; F114-I118 HydrophobicContact CD1-CD1 4.18Å; F114-I118 HydrophobicContact CD2-CD1 4.25Å; F114-I118 HydrophobicContact CD2-CG1 4.39Å; F114-I118 HydrophobicContact CE1-CD1 3.87Å; F114-I118 HydrophobicContact CE2-CD1 3.93Å; F114-I118 HydrophobicContact CE2-CG1 4.13Å; F114-I118 HydrophobicContact CG-CD1 4.37Å; F114-I118 HydrophobicContact CZ-CD1 3.73Å; F114-I118 HydrophobicContact CZ-CG1 4.4Å; F114-I118 WeakPolarHBondContact O-CG1 3.29Å; F114-I118 PolarHBondContact O-N 2.72Å; E115-I118 PolarHBondContact O-N 3.12Å; I118-V120 VanDerWaalsContact C-N 3.27Å; I118-V120 PolarHBondContact O-N 2.89Å; I118-A121 PolarHBondContact O-N 3.05Å; I118-A122 PolarHBondContact O-N 3.2Å
119R95.2Very high94.6Very high37 Ų3738.6 Ų38.614%0.1421%0.205CC..Hα-helixtrans-62.4-34.1177.8-69.5171.861.9-142.6-7.8112.8E115 C116 S123 T168 K169 I172E115-R119 VanDerWaalsContact O-CG 3.28Å; E115-R119 WeakPolarHBondContact O-CG 3.45Å; E115-R119 PolarHBondContact O-N 2.77Å; C116-R119 PolarHBondContact O-N 2.78Å; R119-S123 PolarHBondContact O-N 3.42Å; R119-T168 PolarHBondContact NH1-O 3.44Å; R119-T168 VanDerWaalsContact NH1-O 3.1Å; R119-T168 PolarHBondContact NH2-O 3.31Å; R119-K169 PolarHBondContact NH2-O 2.84Å; R119-I172 HydrophobicContact CB-CD1 4.16Å
120V97Very high94.7Very high0 Ų038.1 Ų38.10%020%0.204CC..Hα-helixtrans-71.5-43.8173.5172.90000110.7I95 C116 A117 I118 A122 S123 A126 L132 V134 V139 V167 I172 F174I95-V120 HydrophobicContact CG1-CB 4.38Å; I95-V120 HydrophobicContact CG1-CG1 3.91Å; C116-V120 WeakPolarHBondContact O-CG2 3.46Å; C116-V120 PolarHBondContact O-N 2.88Å; A117-V120 PolarHBondContact O-N 2.95Å; I118-V120 VanDerWaalsContact C-N 3.27Å; I118-V120 PolarHBondContact O-N 2.89Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.17Å; V120-S123 VanDerWaalsContact O-CB 3.28Å; V120-S123 WeakPolarHBondContact O-CB 3.41Å; V120-S123 PolarHBondContact O-N 2.93Å; V120-A126 HydrophobicContact CG1-CB 4.31Å; V120-A126 VanDerWaalsContact O-CB 3.27Å; V120-A126 WeakPolarHBondContact O-CB 3.34Å; V120-L132 HydrophobicContact CG1-CD1 3.91Å; V120-V134 HydrophobicContact CB-CG2 4Å; V120-V134 HydrophobicContact CG1-CG2 3.99Å; V120-V134 HydrophobicContact CG2-CG1 4.39Å; V120-V134 HydrophobicContact CG2-CG2 3.88Å; V120-V139 HydrophobicContact CG1-CG1 4.38Å; V120-V139 HydrophobicContact CG2-CG2 3.87Å; V120-V167 HydrophobicContact CG2-CG2 3.65Å; V120-I172 HydrophobicContact CG2-CD1 3.86Å; V120-I172 HydrophobicContact CG2-CG1 4.33Å; V120-I172 HydrophobicContact CG2-CG2 4Å; V120-F174 HydrophobicContact CG1-CZ 4.38Å
121A97.2Very high95Very high5 Ų537.7 Ų37.74%0.04120%0.199CC..Hα-helixtrans-60.6-39.6178.900000113S67 V69 I95 A117 I118 S123S67-A121 WeakPolarHBondContact CB-O 3.5Å; S67-A121 PolarHBondContact OG-O 3.46Å; V69-A121 HydrophobicContact CG2-CB 3.6Å; I95-A121 HydrophobicContact CD1-CB 3.69Å; I95-A121 HydrophobicContact CG1-CB 4.07Å; A117-A121 WeakPolarHBondContact O-CB 3.46Å; A117-A121 PolarHBondContact O-N 3Å; I118-A121 PolarHBondContact O-N 3.05Å; A121-S123 VanDerWaalsContact C-N 3.25Å; A121-S123 PolarHBondContact O-N 3.32Å
122A95.5Very high95.4Very high54 Ų5435.8 Ų35.845%0.44619%0.189SC..THydrogen-bonded Turntrans-77.3-4.3175.500000114.2I30 I118 V120I30-A122 HydrophobicContact CD1-CB 3.48Å; I30-A122 VanDerWaalsContact CD1-CB 3.48Å; I30-A122 HydrophobicContact CG1-CB 3.92Å; I118-A122 PolarHBondContact O-N 3.2Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.17Å
123S94.9Very high95.7Very high27 Ų2731.1 Ų31.119%0.18917%0.171CC..  trans-82.6125.3-179.5-1720000111.2R119 V120 A121 S125 A126R119-S123 PolarHBondContact O-N 3.42Å; V120-S123 VanDerWaalsContact O-CB 3.28Å; V120-S123 WeakPolarHBondContact O-CB 3.41Å; V120-S123 PolarHBondContact O-N 2.93Å; A121-S123 VanDerWaalsContact C-N 3.25Å; A121-S123 PolarHBondContact O-N 3.32Å; S123-S125 PolarHBondContact O-N 3.42Å; S123-S125 PolarHBondContact OG-N 3.06Å; S123-A126 WeakPolarHBondContact O-CB 3.48Å; S123-A126 PolarHBondContact O-N 2.89Å
124E93.9Very high95.9Very high166 Ų16631.1 Ų31.178%0.77617%0.171SC*.G310 helixtrans-54.4-29.3171.1-65.1-175.8167.900112.6A126 I127E124-A126 PolarHBondContact O-N 3.25Å; E124-I127 WeakPolarHBondContact O-CB 3.28Å; E124-I127 WeakPolarHBondContact O-CG1 3.13Å; E124-I127 PolarHBondContact O-N 3.42Å
125S93.9Very high96.1Very high66 Ų6630.4 Ų30.446%0.46217%0.168SC..G310 helixtrans-70.3-12.7178.2-58.90000114.1S123 K129 F174S123-S125 PolarHBondContact O-N 3.42Å; S123-S125 PolarHBondContact OG-N 3.06Å; S125-K129 WeakPolarHBondContact O-CE 3.31Å; S125-K129 VanDerWaalsContact O-CG 3.32Å; S125-K129 WeakPolarHBondContact O-CG 3.48Å; S125-F174 WeakPolarHBondContact O-CE2 3.38Å
126A95.8Very high96.3Very high0 Ų031 Ų310%017%0.172CC..G310 helixtrans-84.9-12.4174.500000113P93 V120 S123 E124 K129 L132 F174P93-A126 HydrophobicContact CB-CB 4.27Å; V120-A126 HydrophobicContact CG1-CB 4.31Å; V120-A126 VanDerWaalsContact O-CB 3.27Å; V120-A126 WeakPolarHBondContact O-CB 3.34Å; S123-A126 WeakPolarHBondContact O-CB 3.48Å; S123-A126 PolarHBondContact O-N 2.89Å; E124-A126 PolarHBondContact O-N 3.25Å; A126-K129 WeakPolarHBondContact O-CB 3.32Å; A126-K129 PolarHBondContact O-N 3.27Å; A126-L132 HydrophobicContact CB-CD1 4.14Å; A126-F174 HydrophobicContact CB-CE2 4.26Å; A126-F174 HydrophobicContact CB-CZ 4.04Å
127I95.1Very high96.4Very high89 Ų8933.8 Ų33.846%0.45619%0.187SC..THydrogen-bonded Turntrans-63.4137176.9-61.5172.1000109.7P93 E124 K129P93-I127 HydrophobicContact CG-CG1 4.01Å; E124-I127 WeakPolarHBondContact O-CB 3.28Å; E124-I127 WeakPolarHBondContact O-CG1 3.13Å; E124-I127 PolarHBondContact O-N 3.42Å; I127-K129 PolarHBondContact O-N 3.21Å
128N94.2Very high96.4Very high121 Ų12135.3 Ų35.365%0.64719%0.194SC*.THydrogen-bonded Turntrans58.227-178.6-56.9-39.3000114.5
129K95.2Very high96.5Very high20 Ų2035.1 Ų35.19%0.08719%0.193CC..SBendtrans-96.98.3174.2-62.6-63.4-177.5176.30113.6S125 A126 I127 L132 F174 E177S125-K129 WeakPolarHBondContact O-CE 3.31Å; S125-K129 VanDerWaalsContact O-CG 3.32Å; S125-K129 WeakPolarHBondContact O-CG 3.48Å; A126-K129 WeakPolarHBondContact O-CB 3.32Å; A126-K129 PolarHBondContact O-N 3.27Å; I127-K129 PolarHBondContact O-N 3.21Å; K129-L132 HydrophobicContact CB-CD1 4.29Å; K129-L132 HydrophobicContact CB-CD2 4.09Å; K129-L132 HydrophobicContact CB-CG 4.49Å; K129-F174 HydrophobicContact CB-CE1 4.42Å; K129-F174 HydrophobicContact CD-CD1 4.38Å; K129-F174 HydrophobicContact CG-CD1 4.38Å; K129-F174 HydrophobicContact CG-CE1 4.05Å; K129-F174 HydrophobicContact CG-CZ 4.35Å; K129-E177 IonicContact NZ-OE1 2.73Å; K129-E177 PolarHBondContact NZ-OE1 3.47Å; K129-E177 IonicContact NZ-OE2 2.87Å; K129-E177 PolarHBondContact NZ-OE2 3.38Å
130G96.3Very high96.7Very high4 Ų433.3 Ų33.34%0.04119%0.186CC..  trans69.6-161.5-170.200000112.4E85 G89 D90E85-G130 WeakPolarHBondContact OE2-CA 3.25Å; G89-G130 CarbonylContact O-C 3.52Å; G89-G130 VanDerWaalsContact O-C 3.25Å; G89-G130 VanDerWaalsContact O-CA 3.29Å; G89-G130 WeakPolarHBondContact O-CA 3.39Å; D90-G130 WeakPolarHBondContact OD1-CA 3.34Å; D90-G130 PolarHBondContact OD1-N 3.26Å
131V98.4Very high96.7Very high0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-77.7135.4171.5-179.50000110.5A81 L84 E85 I94 L96 A142A81-V131 HydrophobicContact CB-CG1 4.29Å; L84-V131 HydrophobicContact CB-CG1 4.48Å; L84-V131 HydrophobicContact CB-CG2 3.75Å; E85-V131 HydrophobicContact CB-CB 4.04Å; E85-V131 HydrophobicContact CB-CG2 4.12Å; E85-V131 PolarHBondContact OE2-N 3.35Å; I94-V131 HydrophobicContact CB-CG1 4.45Å; I94-V131 HydrophobicContact CB-CG2 4.05Å; I94-V131 HydrophobicContact CD1-CG2 4.24Å; I94-V131 HydrophobicContact CG2-CG1 4.01Å; I94-V131 HydrophobicContact CG2-CG2 4.08Å; I94-V131 WeakPolarHBondContact O-CA 3.37Å; L96-V131 HydrophobicContact CD1-CG1 3.23Å; V131-A142 HydrophobicContact CB-CB 3.77Å; V131-A142 HydrophobicContact CG1-CB 3.9Å; V131-A142 WeakPolarHBondContact O-CB 3.45Å; V131-A142 PolarHBondContact O-N 3.47Å
132L98.5Very high96.7Very high1 Ų133.1 Ų33.11%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-114.3148.6-176.9-58.3-178.9000111.6I94 I95 L96 V120 A126 K129 V139 H140 I164 F174I94-L132 PolarHBondContact O-N 3.32Å; I95-L132 CarbonylContact C-O 3.52Å; I95-L132 WeakPolarHBondContact CA-O 3.32Å; I95-L132 HydrophobicContact CG1-CB 4.27Å; L96-L132 PolarHBondContact N-O 3.01Å; V120-L132 HydrophobicContact CG1-CD1 3.91Å; A126-L132 HydrophobicContact CB-CD1 4.14Å; K129-L132 HydrophobicContact CB-CD1 4.29Å; K129-L132 HydrophobicContact CB-CD2 4.09Å; K129-L132 HydrophobicContact CB-CG 4.49Å; L132-V139 HydrophobicContact CB-CG1 4.3Å; L132-V139 HydrophobicContact CD1-CG1 3.94Å; L132-V139 HydrophobicContact CD2-CG1 4.24Å; L132-V139 HydrophobicContact CG-CG1 4.4Å; L132-H140 WeakPolarHBondContact CA-O 3.45Å; L132-I164 HydrophobicContact CD2-CD1 3.51Å; L132-F174 HydrophobicContact CD1-CE1 3.99Å; L132-F174 HydrophobicContact CD1-CZ 3.79Å
133V98.7Very high96.6Very high0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-115.2124.8167.2175.50000108.6L77 A81 L96 M135 H140 V145 F156L77-V133 HydrophobicContact CD2-CB 4.15Å; L77-V133 HydrophobicContact CD2-CG1 3.53Å; L77-V133 HydrophobicContact CD2-CG2 3.48Å; L77-V133 VanDerWaalsContact CD2-CG2 3.48Å; A81-V133 HydrophobicContact CB-CG2 3.71Å; L96-V133 HydrophobicContact CB-CG2 4.35Å; L96-V133 WeakPolarHBondContact O-CA 3.48Å; V133-M135 HydrophobicContact CG1-CG 3.92Å; V133-H140 HydrophobicContact CB-CB 4.39Å; V133-H140 PolarHBondContact N-O 3.07Å; V133-H140 PolarHBondContact O-N 2.88Å; V133-V145 HydrophobicContact CB-CG1 4.06Å; V133-V145 HydrophobicContact CB-CG2 4.43Å; V133-V145 HydrophobicContact CG1-CG2 4.44Å; V133-V145 HydrophobicContact CG2-CG1 3.67Å; V133-F156 HydrophobicContact CG1-CD1 4.32Å; V133-F156 HydrophobicContact CG1-CG 4.47Å
134V98.5Very high96.6Very high1 Ų132.9 Ų32.91%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-115.7112.6-179.8179.40000109.6I95 L96 T97 C116 A117 V120 E138 V139 V167I95-V134 HydrophobicContact CG2-CB 4.02Å; I95-V134 HydrophobicContact CG2-CG2 3.58Å; L96-V134 PolarHBondContact O-N 3.33Å; T97-V134 WeakPolarHBondContact CB-O 3.42Å; T97-V134 PolarHBondContact OG1-O 3.15Å; C116-V134 HydrophobicContact CB-CG1 3.91Å; A117-V134 HydrophobicContact CB-CB 4.21Å; A117-V134 HydrophobicContact CB-CG1 4.45Å; V120-V134 HydrophobicContact CB-CG2 4Å; V120-V134 HydrophobicContact CG1-CG2 3.99Å; V120-V134 HydrophobicContact CG2-CG1 4.39Å; V120-V134 HydrophobicContact CG2-CG2 3.88Å; V134-E138 WeakPolarHBondContact CA-O 3.36Å; V134-V139 HydrophobicContact CG2-CG1 4.29Å; V134-V139 HydrophobicContact CG2-CG2 4.27Å; V134-V167 HydrophobicContact CG1-CG2 4.18Å
135M98.2Very high96.8Very high3 Ų325 Ų252%0.01513%0.131CC..EExtended strand (participates in β ladder)trans-146.5135.8-177.9-68.5-67.3-64.400109.1T74 G98 M100 V133 D137 E138 F156T74-M135 HydrophobicContact CG2-CE 4.33Å; G98-M135 PolarHBondContact N-SD 2.86Å; G98-M135 VanDerWaalsContact O-SD 3.41Å; M100-M135 HydrophobicContact CG-CE 4.46Å; V133-M135 HydrophobicContact CG1-CG 3.92Å; M135-D137 PolarHBondContact O-N 3.24Å; M135-E138 PolarHBondContact N-O 2.54Å; M135-E138 PolarHBondContact O-N 3.31Å; M135-F156 HydrophobicContact CB-CB 4.18Å; M135-F156 HydrophobicContact CB-CD2 4.2Å; M135-F156 HydrophobicContact CB-CG 4.5Å; M135-F156 HydrophobicContact CE-CD2 3.84Å; M135-F156 HydrophobicContact CE-CE2 3.94Å; M135-F156 HydrophobicContact CG-CB 4.21Å; M135-F156 HydrophobicContact CG-CD2 3.6Å; M135-F156 HydrophobicContact CG-CE2 4.2Å; M135-F156 HydrophobicContact CG-CG 4.02Å; M135-F156 HydrophobicContact SD-CD2 4.31Å; M135-F156 HydrophobicContact SD-CE2 4.42Å
136N97.2Very high96.9Very high51 Ų5122.6 Ų22.627%0.27311%0.114SC..THydrogen-bonded Turntrans50.954.7169.8-171.875.9000113.3N113 E138N113-N136 PolarHBondContact OD1-N 3.26Å; N136-E138 PolarHBondContact O-N 3.47Å
137D97.1Very high97Very high59 Ų5924.6 Ų24.632%0.31612%0.123SC..THydrogen-bonded Turntrans621.8-178-62.6-44.3000116.3Y112 M135 L166 V167Y112-D137 WeakPolarHBondContact CE1-OD1 3.25Å; Y112-D137 PolarHBondContact OH-OD1 3.27Å; M135-D137 PolarHBondContact O-N 3.24Å; D137-L166 WeakPolarHBondContact O-CA 3.16Å; D137-V167 PolarHBondContact O-N 2.95Å
138E97.9Very high97.1Very high33 Ų3323.2 Ų23.215%0.15412%0.119CC..EExtended strand (participates in β ladder)trans-106.5140.9-178-68.6179.5-168.200111.1V134 M135 N136 H140 R157 P163 L166V134-E138 WeakPolarHBondContact CA-O 3.36Å; M135-E138 PolarHBondContact N-O 2.54Å; M135-E138 PolarHBondContact O-N 3.31Å; N136-E138 PolarHBondContact O-N 3.47Å; E138-H140 WeakPolarHBondContact CB-NE2 3.36Å; E138-H140 IonicContact OE2-CE1 3.54Å; E138-H140 PolarHBondContact OE2-CE1 3.26Å; E138-H140 IonicContact OE2-NE2 2.67Å; E138-H140 PolarHBondContact OE2-NE2 2.87Å; E138-R157 VanDerWaalsContact CD-NH1 3.28Å; E138-R157 IonicContact OE1-NH1 3.55Å; E138-R157 PolarHBondContact OE1-NH1 2.86Å; E138-R157 IonicContact OE2-NH1 2.88Å; E138-R157 PolarHBondContact OE2-NH1 3.11Å; E138-P163 HydrophobicContact CB-CB 3.98Å; E138-P163 HydrophobicContact CB-CG 4.44Å; E138-P163 HydrophobicContact CG-CB 4.25Å; E138-P163 HydrophobicContact CG-CG 4.14Å; E138-L166 HydrophobicContact CG-CD2 4.08Å
139V98.3Very high97.2Very high0 Ų021.6 Ų21.60%011%0.107CC..EExtended strand (participates in β ladder)trans-107.2120.2172.1-173.10000108.1V120 L132 V134 P163 I164 G165 V167 F174V120-V139 HydrophobicContact CG1-CG1 4.38Å; V120-V139 HydrophobicContact CG2-CG2 3.87Å; L132-V139 HydrophobicContact CB-CG1 4.3Å; L132-V139 HydrophobicContact CD1-CG1 3.94Å; L132-V139 HydrophobicContact CD2-CG1 4.24Å; L132-V139 HydrophobicContact CG-CG1 4.4Å; V134-V139 HydrophobicContact CG2-CG1 4.29Å; V134-V139 HydrophobicContact CG2-CG2 4.27Å; V139-P163 CarbonylContact O-C 3.56Å; V139-P163 WeakPolarHBondContact O-CB 3.21Å; V139-I164 HydrophobicContact CG1-CG1 4.21Å; V139-I164 WeakPolarHBondContact O-CG1 3.22Å; V139-I164 PolarHBondContact O-N 2.9Å; V139-G165 PolarHBondContact N-O 2.85Å; V139-G165 PolarHBondContact O-N 3.16Å; V139-G165 VanDerWaalsContact O-N 3.16Å; V139-V167 HydrophobicContact CG2-CG2 3.78Å; V139-F174 HydrophobicContact CG1-CE1 3.86Å; V139-F174 HydrophobicContact CG1-CZ 4.14Å
140H98.1Very high97.2Very high0 Ų026.1 Ų26.10%014%0.136CC..EExtended strand (participates in β ladder)trans-115.7149.2-177.7-57.8-94.6000112L132 V133 E138 V145 F156 T158L132-H140 WeakPolarHBondContact CA-O 3.45Å; V133-H140 HydrophobicContact CB-CB 4.39Å; V133-H140 PolarHBondContact N-O 3.07Å; V133-H140 PolarHBondContact O-N 2.88Å; E138-H140 WeakPolarHBondContact CB-NE2 3.36Å; E138-H140 IonicContact OE2-CE1 3.54Å; E138-H140 PolarHBondContact OE2-CE1 3.26Å; E138-H140 IonicContact OE2-NE2 2.67Å; E138-H140 PolarHBondContact OE2-NE2 2.87Å; H140-V145 HydrophobicContact CB-CB 3.68Å; H140-V145 HydrophobicContact CB-CG2 3.53Å; H140-F156 PolarHBondContact CE1-O 3.38Å; H140-F156 VanDerWaalsContact CE1-O 3.31Å; H140-F156 PolarHBondContact NE2-O 2.84Å; H140-T158 PolarHBondContact ND1-OG1 2.97Å
141S96.7Very high97Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-71.1131.2165.5179.70000110.3R143 Y144 V145 L178S141-R143 PolarHBondContact O-N 3.1Å; S141-R143 VanDerWaalsContact O-N 3.15Å; S141-R143 PolarHBondContact OG-N 3.34Å; S141-Y144 PolarHBondContact O-N 3.38Å; S141-V145 WeakPolarHBondContact O-CB 3.32Å; S141-V145 WeakPolarHBondContact O-CG1 3.4Å; S141-V145 PolarHBondContact O-N 3.43Å; S141-L178 WeakPolarHBondContact OG-CD1 3.32Å
142A97.6Very high96.9Very high0 Ų034.3 Ų34.30%018%0.183CC..THydrogen-bonded Turntrans-54.1-30.8172.600000113.5A81 E85 V131 Y144 K286A81-A142 HydrophobicContact CB-CB 3.73Å; A81-A142 WeakPolarHBondContact O-CB 3.44Å; E85-A142 HydrophobicContact CB-CB 3.9Å; E85-A142 HydrophobicContact CG-CB 4.45Å; V131-A142 HydrophobicContact CB-CB 3.77Å; V131-A142 HydrophobicContact CG1-CB 3.9Å; V131-A142 WeakPolarHBondContact O-CB 3.45Å; V131-A142 PolarHBondContact O-N 3.47Å; A142-Y144 VanDerWaalsContact C-N 3.34Å; A142-Y144 PolarHBondContact O-N 2.82Å; A142-K286 WeakPolarHBondContact O-CE 3.49Å
143R94.7Very high96.8Very high28 Ų2835.5 Ų35.511%0.10619%0.19CC..THydrogen-bonded Turntrans-59.6-43.4179.5-168.5177.4-53.2165.816.9112.6Y82 E85 S141 P179 A181 I282 K286Y82-R143 HydrophobicContact CE2-CG 4.11Å; E85-R143 IonicContact OE1-NH2 3.99Å; E85-R143 PolarHBondContact OE1-NH2 3.28Å; S141-R143 PolarHBondContact O-N 3.1Å; S141-R143 VanDerWaalsContact O-N 3.15Å; S141-R143 PolarHBondContact OG-N 3.34Å; R143-P179 PolarHBondContact NH2-O 3.42Å; R143-P179 VanDerWaalsContact NH2-O 3.08Å; R143-A181 VanDerWaalsContact NH2-CA 3.34Å; R143-I282 HydrophobicContact CG-CG2 4.37Å; R143-K286 WeakPolarHBondContact O-CD 3.33Å; R143-K286 WeakPolarHBondContact O-CE 3.47Å
144Y94.5Very high96.7Very high49 Ų4936.6 Ų36.619%0.19220%0.199CC..THydrogen-bonded Turntrans-114.1-12.7-166.9-53.4-64.2000114.1S141 A142 T158 P159 L161 L178S141-Y144 PolarHBondContact O-N 3.38Å; A142-Y144 VanDerWaalsContact C-N 3.34Å; A142-Y144 PolarHBondContact O-N 2.82Å; Y144-T158 VanDerWaalsContact CB-CG2 3.43Å; Y144-T158 HydrophobicContact CG-CG2 4.38Å; Y144-P159 WeakPolarHBondContact O-CD 3.29Å; Y144-L161 HydrophobicContact CD1-CD1 4.28Å; Y144-L161 HydrophobicContact CD2-CD1 3.58Å; Y144-L161 HydrophobicContact CE1-CD1 4.24Å; Y144-L161 HydrophobicContact CE2-CD1 3.52Å; Y144-L161 HydrophobicContact CG-CD1 3.96Å; Y144-L178 HydrophobicContact CE2-CD2 4.18Å
145V97.2Very high96.7Very high0 Ų036.5 Ų36.50%020%0.199CC..  trans-70.1138.5179.972.60000111.4V133 H140 S141 F156 R157 K286V133-V145 HydrophobicContact CB-CG1 4.06Å; V133-V145 HydrophobicContact CB-CG2 4.43Å; V133-V145 HydrophobicContact CG1-CG2 4.44Å; V133-V145 HydrophobicContact CG2-CG1 3.67Å; H140-V145 HydrophobicContact CB-CB 3.68Å; H140-V145 HydrophobicContact CB-CG2 3.53Å; S141-V145 WeakPolarHBondContact O-CB 3.32Å; S141-V145 WeakPolarHBondContact O-CG1 3.4Å; S141-V145 PolarHBondContact O-N 3.43Å; V145-F156 HydrophobicContact CG2-CB 3.9Å; V145-F156 HydrophobicContact CG2-CD1 3.95Å; V145-F156 HydrophobicContact CG2-CG 4.41Å; V145-R157 CarbonylContact C-O 3.58Å; V145-R157 VanDerWaalsContact CA-O 3.28Å; V145-R157 WeakPolarHBondContact CA-O 3.46Å; V145-K286 WeakPolarHBondContact O-CE 3.45Å; V145-K286 PolarHBondContact O-NZ 2.85Å
146T97.4Very high96.7Very high16 Ų1636.6 Ų36.610%0.09820%0.199CC..EExtended strand (participates in β ladder)trans-146154.7174.9-168.40000110.6E78 T148 F156 R157 P159 F254 N283E78-T146 VanDerWaalsContact CD-OG1 3.29Å; E78-T146 PolarHBondContact OE1-OG1 2.86Å; E78-T146 VanDerWaalsContact OE2-CA 3.27Å; E78-T146 WeakPolarHBondContact OE2-CA 3.38Å; E78-T146 WeakPolarHBondContact OE2-CB 3.32Å; E78-T146 PolarHBondContact OE2-OG1 3.03Å; T146-T148 HydrophobicContact CG2-CG2 4.07Å; T146-T148 PolarHBondContact O-N 2.72Å; T146-F156 WeakPolarHBondContact O-CA 3.25Å; T146-R157 PolarHBondContact N-O 3.37Å; T146-R157 PolarHBondContact O-N 3.34Å; T146-P159 HydrophobicContact CG2-CG 3.89Å; T146-F254 HydrophobicContact CG2-CE2 4.1Å; T146-N283 PolarHBondContact OG1-ND2 3.31Å
147K97.7Very high96.6Very high42 Ų4238.9 Ų38.918%0.18320%0.204CC..EExtended strand (participates in β ladder)trans-81.8113.2176.8-175.4172.3176.4176.60109.2T74 D75 H149 T155 F156T74-K147 WeakPolarHBondContact O-CD 3.41Å; T74-K147 PolarHBondContact OG1-NZ 2.9Å; D75-K147 IonicContact OD1-NZ 2.67Å; D75-K147 PolarHBondContact OD1-NZ 3.33Å; K147-H149 WeakPolarHBondContact CE-O 3.46Å; K147-T155 HydrophobicContact CG-CG2 3.91Å; K147-T155 VanDerWaalsContact CG-OG1 3.29Å; K147-T155 WeakPolarHBondContact CG-OG1 3.44Å; K147-F156 HydrophobicContact CB-CE1 4.17Å; K147-F156 HydrophobicContact CB-CZ 4.37Å
148T96.8Very high96.5Very high60 Ų6036.4 Ų36.437%0.36819%0.191SC..  trans-99.2-7.1-171.573.10000114.5T146 T155 R157 F254T146-T148 HydrophobicContact CG2-CG2 4.07Å; T146-T148 PolarHBondContact O-N 2.72Å; T148-T155 WeakPolarHBondContact CG2-O 3.16Å; T148-T155 PolarHBondContact N-O 3.45Å; T148-T155 PolarHBondContact N-OG1 3.08Å; T148-T155 VanDerWaalsContact N-OG1 3.14Å; T148-T155 PolarHBondContact OG1-O 3.16Å; T148-T155 VanDerWaalsContact OG1-O 3.08Å; T148-R157 HydrophobicContact CG2-CB 3.59Å; T148-R157 HydrophobicContact CG2-CG 3.76Å; T148-F254 HydrophobicContact CG2-CE2 3.58Å; T148-F254 HydrophobicContact CG2-CZ 3.59Å
149H96.8Very high96.1Very high86 Ų8636.1 Ų36.140%0.39819%0.192SC..  trans-149.7144-173.9-162.7-69000110.9K147 T151 N152 T155K147-H149 WeakPolarHBondContact CE-O 3.46Å; H149-T151 PolarHBondContact CE1-OG1 3.23Å; H149-T151 VanDerWaalsContact CE1-OG1 3.24Å; H149-T151 PolarHBondContact ND1-N 3.28Å; H149-N152 HydrophobicContact CB-CB 3.91Å; H149-N152 PolarHBondContact ND1-N 3.31Å; H149-N152 VanDerWaalsContact ND1-N 3.13Å; H149-T155 WeakPolarHBondContact CA-OG1 3.37Å; H149-T155 PolarHBondContact N-OG1 3.37Å; H149-T155 WeakPolarHBondContact O-CB 3.21Å; H149-T155 PolarHBondContact O-OG1 3.04Å
150T94.8Very high95.5Very high115 Ų11541.4 Ų41.471%0.70622%0.224SC*.SBendtrans-72.6-35.6-176.451.90000113.5M100M100-T150 WeakPolarHBondContact CE-O 3.36Å
151T92.8Very high95Very high99 Ų9945 Ų4561%0.60724%0.243SC*.SBendtrans-126.4-11.5-175.357.80000117.5H149H149-T151 PolarHBondContact CE1-OG1 3.23Å; H149-T151 VanDerWaalsContact CE1-OG1 3.24Å; H149-T151 PolarHBondContact ND1-N 3.28Å
152N95.8Very high94.8Very high77 Ų7746.1 Ų46.141%0.41226%0.255SS..  trans-77135.9-174.1-170-24.3000110.9H149 A154 T155H149-N152 HydrophobicContact CB-CB 3.91Å; H149-N152 PolarHBondContact ND1-N 3.31Å; H149-N152 VanDerWaalsContact ND1-N 3.13Å; N152-A154 PolarHBondContact O-N 3.27Å; N152-A154 PolarHBondContact OD1-N 3Å; N152-T155 WeakPolarHBondContact O-CB 3.44Å; N152-T155 VanDerWaalsContact O-CG2 3.29Å; N152-T155 WeakPolarHBondContact O-CG2 3.33Å; N152-T155 PolarHBondContact O-N 3.04Å
153V96.6Very high94.8Very high27 Ų2747.8 Ų47.816%0.16427%0.266CS..THydrogen-bonded Turntrans-61.7-28.2176.3-59.80000112.8M100 R101 D109 T155M100-V153 HydrophobicContact CB-CG1 4.26Å; R101-V153 HydrophobicContact CG-CG1 4.45Å; D109-V153 HydrophobicContact CB-CG1 4.41Å; V153-T155 VanDerWaalsContact C-N 3.27Å; V153-T155 PolarHBondContact O-N 3.28Å
154A96.8Very high94.9Very high22 Ų2246.6 Ų46.618%0.18226%0.261CS..THydrogen-bonded Turntrans-90.533.1176.100000113.2N152 R157N152-A154 PolarHBondContact O-N 3.27Å; N152-A154 PolarHBondContact OD1-N 3Å; A154-R157 PolarHBondContact O-NE 2.99Å
155T96.9Very high95Very high0 Ų044.3 Ų44.30%025%0.253CS..  trans-79.7-29.5-172.5-174.50000114.7M100 K147 T148 H149 N152 V153 R157M100-T155 HydrophobicContact CE-CG2 3.82Å; M100-T155 HydrophobicContact CG-CG2 3.86Å; M100-T155 HydrophobicContact SD-CG2 3.48Å; M100-T155 WeakPolarHBondContact SD-CG2 3.49Å; K147-T155 HydrophobicContact CG-CG2 3.91Å; K147-T155 VanDerWaalsContact CG-OG1 3.29Å; K147-T155 WeakPolarHBondContact CG-OG1 3.44Å; T148-T155 WeakPolarHBondContact CG2-O 3.16Å; T148-T155 PolarHBondContact N-O 3.45Å; T148-T155 PolarHBondContact N-OG1 3.08Å; T148-T155 VanDerWaalsContact N-OG1 3.14Å; T148-T155 PolarHBondContact OG1-O 3.16Å; T148-T155 VanDerWaalsContact OG1-O 3.08Å; H149-T155 WeakPolarHBondContact CA-OG1 3.37Å; H149-T155 PolarHBondContact N-OG1 3.37Å; H149-T155 WeakPolarHBondContact O-CB 3.21Å; H149-T155 PolarHBondContact O-OG1 3.04Å; N152-T155 WeakPolarHBondContact O-CB 3.44Å; N152-T155 VanDerWaalsContact O-CG2 3.29Å; N152-T155 WeakPolarHBondContact O-CG2 3.33Å; N152-T155 PolarHBondContact O-N 3.04Å; V153-T155 VanDerWaalsContact C-N 3.27Å; V153-T155 PolarHBondContact O-N 3.28Å; T155-R157 PolarHBondContact O-N 2.93Å
156F98Very high95Very high4 Ų447.7 Ų47.72%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-76.9114.7177.2-76.2-85000108.6T74 L77 V133 M135 H140 V145 T146 K147T74-F156 HydrophobicContact CG2-CE2 3.85Å; T74-F156 HydrophobicContact CG2-CZ 4.32Å; T74-F156 WeakPolarHBondContact O-CZ 2.85Å; L77-F156 HydrophobicContact CB-CE1 4.09Å; L77-F156 HydrophobicContact CB-CZ 3.85Å; L77-F156 HydrophobicContact CD1-CZ 4.09Å; L77-F156 HydrophobicContact CD2-CE1 3.88Å; L77-F156 HydrophobicContact CD2-CZ 4.18Å; L77-F156 HydrophobicContact CG-CE1 4.41Å; L77-F156 HydrophobicContact CG-CZ 4.27Å; V133-F156 HydrophobicContact CG1-CD1 4.32Å; V133-F156 HydrophobicContact CG1-CG 4.47Å; M135-F156 HydrophobicContact CB-CB 4.18Å; M135-F156 HydrophobicContact CB-CD2 4.2Å; M135-F156 HydrophobicContact CB-CG 4.5Å; M135-F156 HydrophobicContact CE-CD2 3.84Å; M135-F156 HydrophobicContact CE-CE2 3.94Å; M135-F156 HydrophobicContact CG-CB 4.21Å; M135-F156 HydrophobicContact CG-CD2 3.6Å; M135-F156 HydrophobicContact CG-CE2 4.2Å; M135-F156 HydrophobicContact CG-CG 4.02Å; M135-F156 HydrophobicContact SD-CD2 4.31Å; M135-F156 HydrophobicContact SD-CE2 4.42Å; H140-F156 PolarHBondContact CE1-O 3.38Å; H140-F156 VanDerWaalsContact CE1-O 3.31Å; H140-F156 PolarHBondContact NE2-O 2.84Å; V145-F156 HydrophobicContact CG2-CB 3.9Å; V145-F156 HydrophobicContact CG2-CD1 3.95Å; V145-F156 HydrophobicContact CG2-CG 4.41Å; T146-F156 WeakPolarHBondContact O-CA 3.25Å; K147-F156 HydrophobicContact CB-CE1 4.17Å; K147-F156 HydrophobicContact CB-CZ 4.37Å
157R96.6Very high95Very high99 Ų9947.3 Ų47.337%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-130.3157.1179.4-60.9-62.1-157.3177.55.2109.8E138 V145 T146 T148 A154 T155 P159E138-R157 VanDerWaalsContact CD-NH1 3.28Å; E138-R157 IonicContact OE1-NH1 3.55Å; E138-R157 PolarHBondContact OE1-NH1 2.86Å; E138-R157 IonicContact OE2-NH1 2.88Å; E138-R157 PolarHBondContact OE2-NH1 3.11Å; V145-R157 CarbonylContact C-O 3.58Å; V145-R157 VanDerWaalsContact CA-O 3.28Å; V145-R157 WeakPolarHBondContact CA-O 3.46Å; T146-R157 PolarHBondContact N-O 3.37Å; T146-R157 PolarHBondContact O-N 3.34Å; T148-R157 HydrophobicContact CG2-CB 3.59Å; T148-R157 HydrophobicContact CG2-CG 3.76Å; A154-R157 PolarHBondContact O-NE 2.99Å; T155-R157 PolarHBondContact O-N 2.93Å; R157-P159 WeakPolarHBondContact O-CD 3.17Å
158T94.5Very high94.8Very high7 Ų747.5 Ų47.54%0.04327%0.273CS..  trans-110.394.7170.9-66.50000107.8H140 Y144 L161 G162H140-T158 PolarHBondContact ND1-OG1 2.97Å; Y144-T158 VanDerWaalsContact CB-CG2 3.43Å; Y144-T158 HydrophobicContact CG-CG2 4.38Å; T158-L161 HydrophobicContact CG2-CB 3.87Å; T158-G162 VanDerWaalsContact CB-O 3.24Å; T158-G162 WeakPolarHBondContact CB-O 3.38Å; T158-G162 WeakPolarHBondContact CG2-O 3.47Å; T158-G162 WeakPolarHBondContact O-CA 3.49Å; T158-G162 PolarHBondContact O-N 2.96Å
159P88.7Confident94.3Very high27 Ų2754.2 Ų54.218%0.17530%0.297CS..THydrogen-bonded Turntrans-55.9145.1-179.4-23.635000111.1Y144 T146 R157 L161 F254 N255Y144-P159 WeakPolarHBondContact O-CD 3.29Å; T146-P159 HydrophobicContact CG2-CG 3.89Å; R157-P159 WeakPolarHBondContact O-CD 3.17Å; P159-L161 PolarHBondContact O-N 3.26Å; P159-F254 HydrophobicContact CB-CE1 4.33Å; P159-F254 HydrophobicContact CB-CZ 4.27Å; P159-F254 HydrophobicContact CG-CE1 4.17Å; P159-F254 HydrophobicContact CG-CE2 4.02Å; P159-F254 HydrophobicContact CG-CZ 3.62Å; P159-N255 HydrophobicContact CB-CB 4.22Å
160T85.8Confident93.9Very high112 Ų11254.8 Ų54.869%0.68731%0.31SS*.THydrogen-bonded Turntrans67.4-47.9-174.9-57.80000116.5N255T160-N255 VanDerWaalsContact OG1-CG 3.22Å; T160-N255 PolarHBondContact OG1-ND2 2.95Å; T160-N255 PolarHBondContact OG1-OD1 3.28Å
161L88.3Confident93.8Very high74 Ų7455.5 Ų55.539%0.38730%0.304SS..THydrogen-bonded Turntrans-95.1-21-171.4-56.1172000114.4Y144 T158 P159 Q176Y144-L161 HydrophobicContact CD1-CD1 4.28Å; Y144-L161 HydrophobicContact CD2-CD1 3.58Å; Y144-L161 HydrophobicContact CE1-CD1 4.24Å; Y144-L161 HydrophobicContact CE2-CD1 3.52Å; Y144-L161 HydrophobicContact CG-CD1 3.96Å; T158-L161 HydrophobicContact CG2-CB 3.87Å; P159-L161 PolarHBondContact O-N 3.26Å; L161-Q176 PolarHBondContact O-NE2 2.73Å
162G93.3Very high93.9Very high24 Ų2452 Ų5225%0.24728%0.281CS..  trans68.8-179.7-171.800000113.2T158T158-G162 VanDerWaalsContact CB-O 3.24Å; T158-G162 WeakPolarHBondContact CB-O 3.38Å; T158-G162 WeakPolarHBondContact CG2-O 3.47Å; T158-G162 WeakPolarHBondContact O-CA 3.49Å; T158-G162 PolarHBondContact O-N 2.96Å
163P96.6Very high93.9Very high36 Ų3650.9 Ų50.923%0.23428%0.275CS..  trans-64.9147.3177.329-35.2000111.2E138 V139 G165 L166 Q176E138-P163 HydrophobicContact CB-CB 3.98Å; E138-P163 HydrophobicContact CB-CG 4.44Å; E138-P163 HydrophobicContact CG-CB 4.25Å; E138-P163 HydrophobicContact CG-CG 4.14Å; V139-P163 CarbonylContact O-C 3.56Å; V139-P163 WeakPolarHBondContact O-CB 3.21Å; P163-G165 VanDerWaalsContact C-N 3.32Å; P163-L166 HydrophobicContact CG-CD2 4.42Å; P163-Q176 PolarHBondContact O-NE2 2.91Å
164I96.8Very high93.9Very high2 Ų251.3 Ų51.31%0.0128%0.275CS..SBendtrans-82.9-15.6178.667.4169.4000112.1L132 V139 F174 K175 Q176 L178L132-I164 HydrophobicContact CD2-CD1 3.51Å; V139-I164 HydrophobicContact CG1-CG1 4.21Å; V139-I164 WeakPolarHBondContact O-CG1 3.22Å; V139-I164 PolarHBondContact O-N 2.9Å; I164-F174 HydrophobicContact CD1-CD1 4.13Å; I164-F174 HydrophobicContact CD1-CE1 3.94Å; I164-F174 HydrophobicContact CG1-CD1 4.19Å; I164-F174 HydrophobicContact CG1-CE1 4.24Å; I164-K175 PolarHBondContact O-N 3.18Å; I164-Q176 HydrophobicContact CB-CB 4.28Å; I164-Q176 HydrophobicContact CG2-CB 4.41Å; I164-Q176 PolarHBondContact O-N 3.19Å; I164-L178 HydrophobicContact CD1-CD1 3.95Å; I164-L178 HydrophobicContact CG2-CD1 4.32Å; I164-L178 HydrophobicContact CG2-CD2 3.82Å; I164-L178 HydrophobicContact CG2-CG 4.2Å
165G97.2Very high93.6Very high1 Ų157.2 Ų57.21%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-161.3172.917700000113.2V139 P163 L173V139-G165 PolarHBondContact N-O 2.85Å; V139-G165 PolarHBondContact O-N 3.16Å; V139-G165 VanDerWaalsContact O-N 3.16Å; P163-G165 VanDerWaalsContact C-N 3.32Å; G165-L173 CarbonylContact C-O 3.49Å; G165-L173 WeakPolarHBondContact CA-O 3.31Å
166L97.4Very high93.3Very high72 Ų7260.2 Ų60.238%0.37731%0.31SS..EExtended strand (participates in β ladder)trans-129.6140.3-179.7-62.2172.4000110.2D137 E138 P163 L173D137-L166 WeakPolarHBondContact O-CA 3.16Å; E138-L166 HydrophobicContact CG-CD2 4.08Å; P163-L166 HydrophobicContact CG-CD2 4.42Å; L166-L173 PolarHBondContact N-O 2.73Å; L166-L173 PolarHBondContact O-N 3.02Å
167V96.7Very high92.9Very high7 Ų767.3 Ų67.34%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-93.9116.6168.6-174.10000107.6C116 V120 V134 D137 V139 I172C116-V167 HydrophobicContact CB-CB 4.48Å; C116-V167 HydrophobicContact CB-CG1 3.99Å; C116-V167 HydrophobicContact CB-CG2 4.34Å; V120-V167 HydrophobicContact CG2-CG2 3.65Å; V134-V167 HydrophobicContact CG1-CG2 4.18Å; D137-V167 PolarHBondContact O-N 2.95Å; V139-V167 HydrophobicContact CG2-CG2 3.78Å; V167-I172 HydrophobicContact CB-CD1 4.27Å; V167-I172 HydrophobicContact CG1-CD1 3.73Å; V167-I172 HydrophobicContact CG2-CD1 4.09Å
168T93.6Very high92.5Very high47 Ų4764.3 Ų64.329%0.28834%0.335SS..  trans-104.6172.2171.569.80000109.3R119 S170 K171 L173R119-T168 PolarHBondContact NH1-O 3.44Å; R119-T168 VanDerWaalsContact NH1-O 3.1Å; R119-T168 PolarHBondContact NH2-O 3.31Å; T168-S170 PolarHBondContact O-N 2.79Å; T168-S170 VanDerWaalsContact O-N 3.09Å; T168-K171 PolarHBondContact N-O 2.83Å; T168-K171 WeakPolarHBondContact OG1-CA 3.33Å; T168-K171 PolarHBondContact OG1-N 2.87Å; T168-K171 PolarHBondContact OG1-O 3.05Å; T168-L173 HydrophobicContact CG2-CD1 3.81Å; T168-L173 HydrophobicContact CG2-CG 4.41Å
169K87.2Confident92.2Very high201 Ų20168 Ų6887%0.87436%0.359SS*.SBendtrans-53.1-33.7176.5-67.9-173.6178-1780113.9R119R119-K169 PolarHBondContact NH2-O 2.84Å
170S87.3Confident92.3Very high97 Ų9776.5 Ų76.568%0.67839%0.393SS*.SBendtrans-120.7-14.3-172.660.40000114.9T168T168-S170 PolarHBondContact O-N 2.79Å; T168-S170 VanDerWaalsContact O-N 3.09Å
171K92.5Very high92.4Very high130 Ų13072 Ų7257%0.56537%0.367SS*.  trans-141.9147.6-171.4-62.1-178-178-176.70111.9T168 L173T168-K171 PolarHBondContact N-O 2.83Å; T168-K171 WeakPolarHBondContact OG1-CA 3.33Å; T168-K171 PolarHBondContact OG1-N 2.87Å; T168-K171 PolarHBondContact OG1-O 3.05Å; K171-L173 HydrophobicContact CB-CD2 3.87Å; K171-L173 HydrophobicContact CB-CG 4.14Å; K171-L173 HydrophobicContact CD-CD2 4.15Å
172I95.7Very high92.8Very high26 Ų2671 Ų7113%0.13336%0.364CS..EExtended strand (participates in β ladder)trans-96.3125161.7-49.8-52.1000106.9R119 V120 V167 F174R119-I172 HydrophobicContact CB-CD1 4.16Å; V120-I172 HydrophobicContact CG2-CD1 3.86Å; V120-I172 HydrophobicContact CG2-CG1 4.33Å; V120-I172 HydrophobicContact CG2-CG2 4Å; V167-I172 HydrophobicContact CB-CD1 4.27Å; V167-I172 HydrophobicContact CG1-CD1 3.73Å; V167-I172 HydrophobicContact CG2-CD1 4.09Å; I172-F174 HydrophobicContact CG2-CD2 4.11Å; I172-F174 HydrophobicContact CG2-CE2 3.69Å; I172-F174 HydrophobicContact CG2-CZ 4.46Å
173L96Very high92.9Very high54 Ų5472.7 Ų72.728%0.28336%0.363SS..EExtended strand (participates in β ladder)trans-121.594.4-173.7-59.6177.5000109.9G165 L166 T168 K171G165-L173 CarbonylContact C-O 3.49Å; G165-L173 WeakPolarHBondContact CA-O 3.31Å; L166-L173 PolarHBondContact N-O 2.73Å; L166-L173 PolarHBondContact O-N 3.02Å; T168-L173 HydrophobicContact CG2-CD1 3.81Å; T168-L173 HydrophobicContact CG2-CG 4.41Å; K171-L173 HydrophobicContact CB-CD2 3.87Å; K171-L173 HydrophobicContact CB-CG 4.14Å; K171-L173 HydrophobicContact CD-CD2 4.15Å
174F95.9Very high92.9Very high36 Ų3673.8 Ų73.816%0.15836%0.363CS..EExtended strand (participates in β ladder)trans-72.7136.5166.3-70.7-90.1000110V120 S125 A126 K129 L132 V139 I164 I172V120-F174 HydrophobicContact CG1-CZ 4.38Å; S125-F174 WeakPolarHBondContact O-CE2 3.38Å; A126-F174 HydrophobicContact CB-CE2 4.26Å; A126-F174 HydrophobicContact CB-CZ 4.04Å; K129-F174 HydrophobicContact CB-CE1 4.42Å; K129-F174 HydrophobicContact CD-CD1 4.38Å; K129-F174 HydrophobicContact CG-CD1 4.38Å; K129-F174 HydrophobicContact CG-CE1 4.05Å; K129-F174 HydrophobicContact CG-CZ 4.35Å; L132-F174 HydrophobicContact CD1-CE1 3.99Å; L132-F174 HydrophobicContact CD1-CZ 3.79Å; V139-F174 HydrophobicContact CG1-CE1 3.86Å; V139-F174 HydrophobicContact CG1-CZ 4.14Å; I164-F174 HydrophobicContact CD1-CD1 4.13Å; I164-F174 HydrophobicContact CD1-CE1 3.94Å; I164-F174 HydrophobicContact CG1-CD1 4.19Å; I164-F174 HydrophobicContact CG1-CE1 4.24Å; I172-F174 HydrophobicContact CG2-CD2 4.11Å; I172-F174 HydrophobicContact CG2-CE2 3.69Å; I172-F174 HydrophobicContact CG2-CZ 4.46Å
175K91.3Very high92.9Very high145 Ų14577.8 Ų77.863%0.6339%0.385SS*.  trans-122.5-10.3-175-63.1-59.4-175.1-173.90113.3I164I164-K175 PolarHBondContact O-N 3.18Å
176Q90.7Very high92.9Very high64 Ų6477.9 Ų77.930%0.29939%0.385SS..  trans-135.1143.8-177.4-54.3-169.344.800110.4L161 P163 I164L161-Q176 PolarHBondContact O-NE2 2.73Å; P163-Q176 PolarHBondContact O-NE2 2.91Å; I164-Q176 HydrophobicContact CB-CB 4.28Å; I164-Q176 HydrophobicContact CG2-CB 4.41Å; I164-Q176 PolarHBondContact O-N 3.19Å
177E88.7Confident92.9Very high153 Ų15380.9 Ų80.972%0.71540%0.401SS*.PPolyproline II helixtrans-97135.7164.8-68.9-58.6148.600108.6K129K129-E177 IonicContact NZ-OE1 2.73Å; K129-E177 PolarHBondContact NZ-OE1 3.47Å; K129-E177 IonicContact NZ-OE2 2.87Å; K129-E177 PolarHBondContact NZ-OE2 3.38Å
178L88Confident92.8Very high36 Ų3682 Ų8219%0.18841%0.409CS..PPolyproline II helixtrans-95.9143.5-179.4-68.6173.5000110.6S141 Y144 I164 K180S141-L178 WeakPolarHBondContact OG-CD1 3.32Å; Y144-L178 HydrophobicContact CE2-CD2 4.18Å; I164-L178 HydrophobicContact CD1-CD1 3.95Å; I164-L178 HydrophobicContact CG2-CD1 4.32Å; I164-L178 HydrophobicContact CG2-CD2 3.82Å; I164-L178 HydrophobicContact CG2-CG 4.2Å; L178-K180 PolarHBondContact O-N 3.04Å
179P88.5Confident92.9Very high85 Ų8582.5 Ų82.555%0.55241%0.408SS*.PPolyproline II helixtrans-57.9138.7165.7-21.132.6000110.7R143 A181R143-P179 PolarHBondContact NH2-O 3.42Å; R143-P179 VanDerWaalsContact NH2-O 3.08Å; P179-A181 PolarHBondContact O-N 2.92Å
180K90Very high93.1Very high204 Ų20479.3 Ų79.389%0.88740%0.4SS*.PPolyproline II helixtrans-53.8138.9175.1-69.4-170.4176.1-173.20110.4L178L178-K180 PolarHBondContact O-N 3.04Å
181A89.7Confident93.5Very high17 Ų1775.4 Ų75.414%0.1437%0.374CS..PPolyproline II helixtrans-89137.9174.600000110.2E85 R143 P179 R183E85-A181 WeakPolarHBondContact OE1-CB 3.16Å; R143-A181 VanDerWaalsContact NH2-CA 3.34Å; P179-A181 PolarHBondContact O-N 2.92Å; A181-R183 HydrophobicContact CB-CG 4.12Å; A181-R183 PolarHBondContact O-NH1 2.92Å
182T94.8Very high93.7Very high55 Ų5573 Ų7334%0.33737%0.365SS..PPolyproline II helixtrans-71.2133.1158.3-57.30000108.1Y184 F307 E310T182-Y184 HydrophobicContact CG2-CE2 3.7Å; T182-F307 HydrophobicContact CG2-CD2 3.74Å; T182-F307 HydrophobicContact CG2-CE2 3.99Å; T182-E310 PolarHBondContact OG1-OE2 3.24Å
183R96.3Very high93.8Very high58 Ų5872 Ų7222%0.21936%0.36CS..  trans-135.2145-175.8-57.3-175174.995.9-13.6110.7E85 I86 D90 A181E85-R183 WeakPolarHBondContact O-CD 3.39Å; E85-R183 PolarHBondContact O-NE 2.66Å; E85-R183 IonicContact OE1-NH2 2.7Å; E85-R183 PolarHBondContact OE1-NH2 2.81Å; E85-R183 IonicContact OE2-NH2 3.94Å; E85-R183 PolarHBondContact OE2-NH2 2.7Å; I86-R183 VanDerWaalsContact O-CA 3.27Å; I86-R183 WeakPolarHBondContact O-CA 3.48Å; D90-R183 VanDerWaalsContact CG-CZ 3.46Å; D90-R183 VanDerWaalsContact CG-NH1 3.28Å; D90-R183 VanDerWaalsContact CG-NH2 3.29Å; D90-R183 IonicContact OD1-CZ 3.53Å; D90-R183 IonicContact OD1-NH1 3.2Å; D90-R183 IonicContact OD1-NH2 3.37Å; D90-R183 PolarHBondContact OD1-NH2 3.48Å; D90-R183 IonicContact OD2-CZ 3.5Å; D90-R183 VanDerWaalsContact OD2-CZ 3.3Å; D90-R183 IonicContact OD2-NH1 2.9Å; D90-R183 PolarHBondContact OD2-NH1 3.04Å; D90-R183 IonicContact OD2-NH2 3.15Å; D90-R183 PolarHBondContact OD2-NH2 3.47Å; A181-R183 HydrophobicContact CB-CG 4.12Å; A181-R183 PolarHBondContact O-NH1 2.92Å
184Y97.7Very high93.8Very high59 Ų5970.8 Ų70.823%0.23136%0.355CS..  trans-131.7116174-63.1-79.1000109.5I86 T182 I186 I293 A297 L299 F307I86-Y184 PolarHBondContact O-N 2.92Å; T182-Y184 HydrophobicContact CG2-CE2 3.7Å; Y184-I186 PolarHBondContact O-N 2.77Å; Y184-I186 VanDerWaalsContact O-N 3.11Å; Y184-I293 HydrophobicContact CD2-CG2 4.28Å; Y184-A297 HydrophobicContact CD1-CB 3.99Å; Y184-A297 HydrophobicContact CG-CB 3.86Å; Y184-L299 HydrophobicContact CD1-CD2 4.2Å; Y184-L299 HydrophobicContact CD2-CD1 4.35Å; Y184-L299 HydrophobicContact CE1-CD2 3.57Å; Y184-L299 HydrophobicContact CE2-CD1 3.68Å; Y184-L299 HydrophobicContact CE2-CD2 4.26Å; Y184-F307 HydrophobicContact CD2-CD2 4.3Å; Y184-F307 HydrophobicContact CD2-CE1 4.22Å; Y184-F307 HydrophobicContact CD2-CE2 4.01Å; Y184-F307 AromaticContact CD2-CZ 3.96Å; Y184-F307 HydrophobicContact CD2-CZ 3.96Å; Y184-F307 HydrophobicContact CE2-CB 4.46Å; Y184-F307 HydrophobicContact CE2-CD1 4.21Å; Y184-F307 AromaticContact CE2-CD2 3.69Å; Y184-F307 HydrophobicContact CE2-CD2 3.69Å; Y184-F307 HydrophobicContact CE2-CE1 4.35Å; Y184-F307 AromaticContact CE2-CE2 3.86Å; Y184-F307 HydrophobicContact CE2-CE2 3.86Å; Y184-F307 AromaticContact CE2-CG 3.87Å; Y184-F307 HydrophobicContact CE2-CG 3.87Å; Y184-F307 HydrophobicContact CE2-CZ 4.18Å
185D96.6Very high93.9Very high87 Ų8772.1 Ų72.147%0.46536%0.363SS..  trans-79.491.5172.6-170.913.3000109K54 K58K54-D185 IonicContact NZ-OD1 3.13Å; K54-D185 PolarHBondContact NZ-OD1 3.01Å; K58-D185 WeakPolarHBondContact CE-OD2 3.45Å; K58-D185 IonicContact NZ-OD1 2.8Å; K58-D185 IonicContact NZ-OD2 2.94Å; K58-D185 PolarHBondContact NZ-OD2 3.33Å
186I97.3Very high94.3Very high3 Ų365.8 Ų65.82%0.01534%0.337CS..  trans-78147.5179.955.8169.1000111.6F51 K54 F83 T87 Y184 S188 L292 I293 N296 A297F51-I186 VanDerWaalsContact CE2-O 3.31Å; F51-I186 WeakPolarHBondContact CE2-O 3.44Å; K54-I186 PolarHBondContact NZ-O 2.91Å; F83-I186 HydrophobicContact CE2-CD1 4.21Å; F83-I186 HydrophobicContact CZ-CD1 4.49Å; T87-I186 HydrophobicContact CG2-CG1 4.36Å; Y184-I186 PolarHBondContact O-N 2.77Å; Y184-I186 VanDerWaalsContact O-N 3.11Å; I186-S188 WeakPolarHBondContact CD1-O 3.48Å; I186-L292 HydrophobicContact CD1-CD2 3.92Å; I186-I293 HydrophobicContact CD1-CG1 3.64Å; I186-I293 HydrophobicContact CG1-CG1 4.35Å; I186-I293 HydrophobicContact CG2-CG2 4.12Å; I186-N296 HydrophobicContact CB-CB 4.18Å; I186-N296 HydrophobicContact CD1-CB 4.33Å; I186-N296 HydrophobicContact CG2-CB 3.98Å; I186-A297 HydrophobicContact CG2-CB 4.07Å
187D95.6Very high94.6Very high135 Ų13568.7 Ų68.772%0.72235%0.349SS*.SBendtrans-106.6-7.5177.258.5-17000113.6F51F51-D187 WeakPolarHBondContact CZ-O 3.47Å
188S95.8Very high95Very high30 Ų3061.4 Ų61.421%0.2131%0.314CS..  trans-136165.7174.866.30000112I186 N296I186-S188 WeakPolarHBondContact CD1-O 3.48Å; S188-N296 VanDerWaalsContact O-CB 3.25Å; S188-N296 WeakPolarHBondContact O-CB 3.4Å; S188-N296 PolarHBondContact O-OD1 2.81Å; S188-N296 PolarHBondContact OG-OD1 3.2Å
189F95.3Very high95.5Very high58 Ų5862.4 Ų62.425%0.25433%0.325SS..  trans-143.333.5178.851.5-94.8000113.4V47 E48 F51 A191 L292 N296V47-F189 HydrophobicContact CG1-CB 3.68Å; V47-F189 HydrophobicContact CG1-CD2 4.17Å; V47-F189 HydrophobicContact CG1-CG 3.96Å; E48-F189 HydrophobicContact CB-CE2 3.88Å; E48-F189 HydrophobicContact CB-CZ 3.74Å; E48-F189 HydrophobicContact CG-CE2 4.47Å; E48-F189 HydrophobicContact CG-CZ 3.91Å; F51-F189 HydrophobicContact CB-CD1 3.9Å; F51-F189 HydrophobicContact CB-CE1 3.84Å; F51-F189 HydrophobicContact CD1-CD1 4.37Å; F51-F189 AromaticContact CD1-CE1 3.95Å; F51-F189 HydrophobicContact CD1-CE1 3.95Å; F51-F189 AromaticContact CD2-CD1 3.61Å; F51-F189 HydrophobicContact CD2-CD1 3.61Å; F51-F189 HydrophobicContact CD2-CE1 4.04Å; F51-F189 HydrophobicContact CE2-CD1 4.19Å; F51-F189 AromaticContact CG-CD1 3.71Å; F51-F189 HydrophobicContact CG-CD1 3.71Å; F51-F189 AromaticContact CG-CE1 3.68Å; F51-F189 HydrophobicContact CG-CE1 3.68Å; F189-A191 PolarHBondContact O-N 3.42Å; F189-L292 HydrophobicContact CB-CD2 4.02Å; F189-N296 WeakPolarHBondContact CA-OD1 3.25Å; F189-N296 PolarHBondContact N-OD1 3.25Å
190D92.1Very high95.9Very high134 Ų13462.4 Ų62.472%0.71733%0.332SS*.  trans-82.521.5-164.5-57.1-45000114.9N296D190-N296 PolarHBondContact N-OD1 3.3Å; D190-N296 VanDerWaalsContact N-OD1 3.12Å
191A95.4Very high96.1Very high15 Ų1555.6 Ų55.612%0.12432%0.319CS..  trans-99.2126.9-175.700000112.5F189 I193 D217 L295F189-A191 PolarHBondContact O-N 3.42Å; A191-I193 HydrophobicContact CB-CD1 4.2Å; A191-I193 HydrophobicContact CB-CG1 4.41Å; A191-D217 WeakPolarHBondContact CA-OD2 3.28Å; A191-D217 HydrophobicContact CB-CB 4.12Å; A191-L295 HydrophobicContact CB-CB 4.34Å; A191-L295 HydrophobicContact CB-CD1 3.99Å
192M95.7Very high96.5Very high78 Ų7855.6 Ų55.638%0.38432%0.317SS..  trans-88.8110.5172.6-164-67.1-127.100110P194 S215 V216 D217M192-P194 HydrophobicContact CE-CG 4.28Å; M192-P194 HydrophobicContact SD-CB 4.44Å; M192-P194 VanDerWaalsContact SD-CD 3.6Å; M192-P194 HydrophobicContact SD-CG 3.93Å; M192-S215 WeakPolarHBondContact CE-O 3.34Å; M192-V216 HydrophobicContact CE-CG2 3.61Å; M192-V216 HydrophobicContact SD-CG2 4.25Å; M192-D217 PolarHBondContact N-OD2 3.43Å; M192-D217 PolarHBondContact O-N 3.21Å
193I97.9Very high96.6Very high7 Ų757.7 Ų57.74%0.03632%0.323CS..  trans-127.7102.5-179-58.9158.1000109.3A191 G218 V220 R288 L291 L292 L295A191-I193 HydrophobicContact CB-CD1 4.2Å; A191-I193 HydrophobicContact CB-CG1 4.41Å; I193-G218 WeakPolarHBondContact CA-O 3.42Å; I193-V220 HydrophobicContact CG2-CG2 3.99Å; I193-R288 HydrophobicContact CB-CG 4.15Å; I193-R288 HydrophobicContact CG2-CB 4.46Å; I193-R288 HydrophobicContact CG2-CG 3.96Å; I193-R288 WeakPolarHBondContact O-CD 3.49Å; I193-R288 PolarHBondContact O-NE 2.97Å; I193-R288 VanDerWaalsContact O-NE 3.16Å; I193-L291 HydrophobicContact CD1-CB 4.01Å; I193-L291 HydrophobicContact CD1-CD2 4.23Å; I193-L291 HydrophobicContact CD1-CG 3.84Å; I193-L291 HydrophobicContact CG1-CD2 4.33Å; I193-L291 HydrophobicContact CG1-CG 4.43Å; I193-L291 HydrophobicContact CG2-CD2 3.91Å; I193-L292 VanDerWaalsContact CD1-CA 3.41Å; I193-L292 HydrophobicContact CD1-CB 3.72Å; I193-L295 HydrophobicContact CD1-CD1 4.1Å; I193-L295 HydrophobicContact CG1-CD1 4.35Å
194P97.4Very high96.6Very high27 Ų2754.9 Ų54.918%0.17531%0.312CS..  trans-77.7157.917321.4-11.3000111.3M192 L210 V216 G218 L219 V220M192-P194 HydrophobicContact CE-CG 4.28Å; M192-P194 HydrophobicContact SD-CB 4.44Å; M192-P194 VanDerWaalsContact SD-CD 3.6Å; M192-P194 HydrophobicContact SD-CG 3.93Å; P194-L210 HydrophobicContact CB-CD2 4.27Å; P194-L210 HydrophobicContact CG-CD1 4.31Å; P194-L210 HydrophobicContact CG-CD2 3.58Å; P194-V216 HydrophobicContact CG-CG1 4.08Å; P194-G218 WeakPolarHBondContact CD-O 3.36Å; P194-L219 HydrophobicContact CG-CD1 4.14Å; P194-V220 PolarHBondContact O-N 3.26Å
195I98Very high96.6Very high64 Ų6456.1 Ų56.133%0.32832%0.32SS..EExtended strand (participates in β ladder)trans-110.1125.9169-62.3165.4000107.7V220 E222 R288I195-V220 CarbonylContact C-O 3.58Å; I195-V220 VanDerWaalsContact CA-O 3.31Å; I195-V220 WeakPolarHBondContact CA-O 3.27Å; I195-V220 HydrophobicContact CG1-CB 4.05Å; I195-V220 HydrophobicContact CG1-CG1 4.33Å; I195-E222 HydrophobicContact CG2-CG 4.07Å; I195-R288 HydrophobicContact CD1-CB 3.99Å; I195-R288 HydrophobicContact CD1-CG 4.49Å; I195-R288 HydrophobicContact CG1-CB 4.12Å
196V97.9Very high96.5Very high13 Ų1358.2 Ų58.28%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-113.2118.1175.5176.20000109.6M202 F207 L210 L219 V220 V221 E222V196-M202 HydrophobicContact CG1-CE 3.77Å; V196-F207 HydrophobicContact CB-CE1 4.15Å; V196-F207 HydrophobicContact CG1-CE1 3.91Å; V196-F207 HydrophobicContact CG1-CZ 3.92Å; V196-F207 HydrophobicContact CG2-CE1 4.31Å; V196-L210 HydrophobicContact CG2-CD1 3.76Å; V196-L219 HydrophobicContact CB-CD1 4.34Å; V196-L219 HydrophobicContact CG2-CD1 3.79Å; V196-V220 PolarHBondContact N-O 3.03Å; V196-V221 CarbonylContact O-C 3.45Å; V196-V221 WeakPolarHBondContact O-CA 3.44Å; V196-E222 PolarHBondContact O-N 3.47Å
197K98Very high96.5Very high124 Ų12458 Ų5854%0.53932%0.324SS..EExtended strand (participates in β ladder)trans-88.9125.5175.4-175.4179.7-156.1100.90111.5E222K197-E222 HydrophobicContact CB-CB 4.31Å; K197-E222 WeakPolarHBondContact CB-OE2 3.34Å; K197-E222 WeakPolarHBondContact CD-OE2 3.4Å; K197-E222 WeakPolarHBondContact CE-OE2 3.42Å; K197-E222 HydrophobicContact CG-CB 4.18Å; K197-E222 WeakPolarHBondContact CG-OE2 3.39Å; K197-E222 IonicContact NZ-OE2 2.77Å; K197-E222 PolarHBondContact NZ-OE2 3.08Å
198V98Very high96.6Very high0 Ų056 Ų560%031%0.309CS..  trans-90.5138.2-175.9-176.60000111M202 V221 E222 L224 L229 P230 R252V198-M202 HydrophobicContact CB-SD 4.35Å; V198-M202 HydrophobicContact CG1-SD 4.25Å; V198-M202 HydrophobicContact CG2-SD 4.4Å; V198-V221 HydrophobicContact CG2-CG1 3.4Å; V198-E222 WeakPolarHBondContact CB-O 3.34Å; V198-E222 WeakPolarHBondContact CG2-O 3.2Å; V198-E222 PolarHBondContact N-O 3.47Å; V198-L224 HydrophobicContact CG1-CD1 4.45Å; V198-L224 HydrophobicContact CG1-CD2 4.36Å; V198-L224 HydrophobicContact CG1-CG 4.05Å; V198-L229 HydrophobicContact CB-CD2 4.27Å; V198-L229 HydrophobicContact CG1-CD2 4.01Å; V198-L229 HydrophobicContact CG2-CD2 3.53Å; V198-P230 VanDerWaalsContact CG1-CD 3.47Å; V198-P230 HydrophobicContact CG1-CG 4.16Å; V198-R252 PolarHBondContact O-NH1 2.66Å
199S97.3Very high96.6Very high57 Ų5759.7 Ų59.740%0.39933%0.325SS..  trans-123164.2177.364.60000112.1G201 M202 P230S199-G201 PolarHBondContact O-N 3.43Å; S199-M202 WeakPolarHBondContact O-CB 3.48Å; S199-M202 PolarHBondContact O-N 2.88Å; S199-P230 WeakPolarHBondContact O-CG 3.49Å
200A97.1Very high96.6Very high86 Ų8658.1 Ų58.171%0.71132%0.319SS*.THydrogen-bonded Turntrans-67.3131.2175.400000109.4M202A200-M202 PolarHBondContact O-N 3.43Å
201G95.1Very high96.7Very high60 Ų6053.2 Ų53.262%0.61929%0.293SS*.THydrogen-bonded Turntrans71.116.4-175.600000114.3S199 E203S199-G201 PolarHBondContact O-N 3.43Å; G201-E203 PolarHBondContact O-N 3.33Å
202M97.5Very high96.6Very high17 Ų1760 Ų608%0.08432%0.322CS..  trans-62.5131.7172.7-174.2173-179.600110.2V196 V198 S199 A200 F206 P230 T233V196-M202 HydrophobicContact CG1-CE 3.77Å; V198-M202 HydrophobicContact CB-SD 4.35Å; V198-M202 HydrophobicContact CG1-SD 4.25Å; V198-M202 HydrophobicContact CG2-SD 4.4Å; S199-M202 WeakPolarHBondContact O-CB 3.48Å; S199-M202 PolarHBondContact O-N 2.88Å; A200-M202 PolarHBondContact O-N 3.43Å; M202-F206 HydrophobicContact CE-CB 3.9Å; M202-F206 HydrophobicContact CE-CD2 3.84Å; M202-F206 HydrophobicContact CE-CG 4.11Å; M202-P230 HydrophobicContact CB-CG 4.3Å; M202-T233 HydrophobicContact CB-CG2 4.13Å; M202-T233 HydrophobicContact CG-CG2 4.05Å; M202-T233 WeakPolarHBondContact O-CG2 3.47Å
203E97.4Very high96.4Very high99 Ų9958.4 Ų58.446%0.46332%0.321SS..  trans-94.6168.4175.1-63.3-70.6159.800110.3G201 E205 Q232G201-E203 PolarHBondContact O-N 3.33Å; E203-E205 VanDerWaalsContact C-N 3.3Å; E203-E205 WeakPolarHBondContact CB-OE2 3.21Å; E203-E205 PolarHBondContact O-N 3.16Å; E203-Q232 VanDerWaalsContact OE2-CB 3.24Å; E203-Q232 WeakPolarHBondContact OE2-CB 3.39Å; E203-Q232 WeakPolarHBondContact OE2-CG 3.4Å
204G96.6Very high95.4Very high0 Ų066.7 Ų66.70%036%0.364CS..THydrogen-bonded Turntrans-76.82.8-171.800000117.1F206 F207 K208 Q232 P236G204-F206 PolarHBondContact O-N 3.04Å; G204-F207 PolarHBondContact O-N 3.24Å; G204-F207 VanDerWaalsContact O-N 3.13Å; G204-K208 WeakPolarHBondContact O-CG 3.03Å; G204-K208 PolarHBondContact O-N 3.23Å; G204-Q232 PolarHBondContact N-O 2.89Å; G204-P236 VanDerWaalsContact O-CG 3.29Å; G204-P236 WeakPolarHBondContact O-CG 3.43Å
205E96.1Very high95Very high85 Ų8568.7 Ų68.740%0.39738%0.379SS..Hα-helixtrans-59.9-41.2-169.9-74.560.1-128.200113.2E203 F207 K208 I209E203-E205 VanDerWaalsContact C-N 3.3Å; E203-E205 WeakPolarHBondContact CB-OE2 3.21Å; E203-E205 PolarHBondContact O-N 3.16Å; E205-F207 VanDerWaalsContact C-N 3.32Å; E205-F207 PolarHBondContact O-N 3.41Å; E205-K208 WeakPolarHBondContact O-CB 3.4Å; E205-K208 PolarHBondContact O-N 2.95Å; E205-K208 IonicContact OE1-NZ 3.97Å; E205-K208 PolarHBondContact OE1-NZ 2.94Å; E205-I209 VanDerWaalsContact O-CG1 3.32Å; E205-I209 WeakPolarHBondContact O-CG1 3.44Å; E205-I209 PolarHBondContact O-N 2.97Å
206F95.2Very high94.9Very high130 Ų13066.8 Ų66.857%0.5737%0.37SS*.Hα-helixtrans-62.4-41.3177.8-82.1-88.5000111.7M202 G204 I209 L210M202-F206 HydrophobicContact CE-CB 3.9Å; M202-F206 HydrophobicContact CE-CD2 3.84Å; M202-F206 HydrophobicContact CE-CG 4.11Å; G204-F206 PolarHBondContact O-N 3.04Å; F206-I209 PolarHBondContact O-N 3.47Å; F206-L210 WeakPolarHBondContact O-CG 3.24Å; F206-L210 PolarHBondContact O-N 3Å
207F97.3Very high94.8Very high0 Ų069.6 Ų69.60%038%0.384CS..Hα-helixtrans-69.2-35.6175.8-61.1-54.3000111.8V196 G204 E205 I209 L210 D211 L219 V221 T233 P236 F237 L240V196-F207 HydrophobicContact CB-CE1 4.15Å; V196-F207 HydrophobicContact CG1-CE1 3.91Å; V196-F207 HydrophobicContact CG1-CZ 3.92Å; V196-F207 HydrophobicContact CG2-CE1 4.31Å; G204-F207 PolarHBondContact O-N 3.24Å; G204-F207 VanDerWaalsContact O-N 3.13Å; E205-F207 VanDerWaalsContact C-N 3.32Å; E205-F207 PolarHBondContact O-N 3.41Å; F207-I209 VanDerWaalsContact C-N 3.33Å; F207-I209 PolarHBondContact O-N 3.32Å; F207-L210 HydrophobicContact CD1-CD1 4.32Å; F207-L210 PolarHBondContact O-N 2.96Å; F207-D211 VanDerWaalsContact O-CB 3.26Å; F207-D211 WeakPolarHBondContact O-CB 3.47Å; F207-D211 PolarHBondContact O-N 3.48Å; F207-L219 HydrophobicContact CD1-CD2 4.05Å; F207-L219 HydrophobicContact CE1-CD2 3.9Å; F207-V221 HydrophobicContact CE1-CG2 4.16Å; F207-V221 HydrophobicContact CZ-CG1 4.48Å; F207-V221 HydrophobicContact CZ-CG2 4.36Å; F207-T233 HydrophobicContact CE2-CG2 4.15Å; F207-P236 HydrophobicContact CB-CB 3.92Å; F207-P236 HydrophobicContact CB-CG 3.9Å; F207-F237 HydrophobicContact CD1-CD2 4.04Å; F207-F237 HydrophobicContact CD2-CB 4.13Å; F207-F237 HydrophobicContact CD2-CD2 4.25Å; F207-F237 AromaticContact CE1-CD2 3.85Å; F207-F237 HydrophobicContact CE1-CD2 3.85Å; F207-F237 HydrophobicContact CE1-CE2 4.34Å; F207-F237 HydrophobicContact CE2-CD2 4.06Å; F207-F237 HydrophobicContact CG-CB 4.29Å; F207-F237 HydrophobicContact CG-CD2 4.25Å; F207-F237 AromaticContact CZ-CD2 3.86Å; F207-F237 HydrophobicContact CZ-CD2 3.86Å; F207-F237 HydrophobicContact CZ-CE2 4.36Å; F207-L240 HydrophobicContact CB-CD1 4.12Å; F207-L240 HydrophobicContact CD1-CD1 4.1Å
208K96.8Very high94.8Very high93 Ų9363.7 Ų63.740%0.40436%0.359SS..Hα-helixtrans-60.9-41.1171.4-66.2170.5-165.7160.10111.8G204 E205 D211 Q212 P236G204-K208 WeakPolarHBondContact O-CG 3.03Å; G204-K208 PolarHBondContact O-N 3.23Å; E205-K208 WeakPolarHBondContact O-CB 3.4Å; E205-K208 PolarHBondContact O-N 2.95Å; E205-K208 IonicContact OE1-NZ 3.97Å; E205-K208 PolarHBondContact OE1-NZ 2.94Å; K208-D211 PolarHBondContact O-N 3.4Å; K208-Q212 WeakPolarHBondContact O-CG 3.34Å; K208-Q212 PolarHBondContact O-N 3.24Å; K208-P236 HydrophobicContact CB-CB 4.38Å; K208-P236 HydrophobicContact CG-CB 3.56Å; K208-P236 HydrophobicContact CG-CG 3.85Å
209I96.4Very high94.8Very high107 Ų10763.7 Ų63.755%0.54936%0.359SS..Hα-helixtrans-64.3-45.6177.2-69.7164.7000110.4E205 F206 F207 D211 Q212 A213E205-I209 VanDerWaalsContact O-CG1 3.32Å; E205-I209 WeakPolarHBondContact O-CG1 3.44Å; E205-I209 PolarHBondContact O-N 2.97Å; F206-I209 PolarHBondContact O-N 3.47Å; F207-I209 VanDerWaalsContact C-N 3.33Å; F207-I209 PolarHBondContact O-N 3.32Å; I209-D211 VanDerWaalsContact C-N 3.3Å; I209-D211 PolarHBondContact O-N 3.48Å; I209-Q212 PolarHBondContact O-N 2.85Å; I209-A213 PolarHBondContact O-N 3.27Å; I209-A213 VanDerWaalsContact O-N 3.16Å
210L95.9Very high94.9Very high25 Ų2561 Ų6113%0.13134%0.34CS..Hα-helixtrans-63-38176.7-69.3174.6000112.1P194 V196 F206 F207 Q212 A213 V216 L219 L240P194-L210 HydrophobicContact CB-CD2 4.27Å; P194-L210 HydrophobicContact CG-CD1 4.31Å; P194-L210 HydrophobicContact CG-CD2 3.58Å; V196-L210 HydrophobicContact CG2-CD1 3.76Å; F206-L210 WeakPolarHBondContact O-CG 3.24Å; F206-L210 PolarHBondContact O-N 3Å; F207-L210 HydrophobicContact CD1-CD1 4.32Å; F207-L210 PolarHBondContact O-N 2.96Å; L210-Q212 PolarHBondContact O-N 3.4Å; L210-A213 WeakPolarHBondContact O-CB 3.45Å; L210-A213 PolarHBondContact O-N 2.98Å; L210-A213 VanDerWaalsContact O-N 3.12Å; L210-V216 HydrophobicContact CD2-CG2 4.1Å; L210-L219 HydrophobicContact CD1-CD1 3.78Å; L210-L219 HydrophobicContact CD1-CD2 4.22Å; L210-L240 HydrophobicContact CB-CD1 4.46Å
211D93.2Very high95Very high31 Ų3156.9 Ų56.917%0.16631%0.306CS..Hα-helixtrans-64.7-24.4178-174.853.4000113.6F207 K208 I209 H239 L240 K243F207-D211 VanDerWaalsContact O-CB 3.26Å; F207-D211 WeakPolarHBondContact O-CB 3.47Å; F207-D211 PolarHBondContact O-N 3.48Å; K208-D211 PolarHBondContact O-N 3.4Å; I209-D211 VanDerWaalsContact C-N 3.3Å; I209-D211 PolarHBondContact O-N 3.48Å; D211-H239 IonicContact OD1-CE1 3.16Å; D211-H239 IonicContact OD1-CG 3.17Å; D211-H239 IonicContact OD1-ND1 3.71Å; D211-H239 PolarHBondContact OD1-ND1 3.31Å; D211-H239 IonicContact OD2-CE1 3.91Å; D211-H239 PolarHBondContact OD2-CE1 3.23Å; D211-H239 IonicContact OD2-CG 3.63Å; D211-H239 IonicContact OD2-ND1 3.36Å; D211-H239 PolarHBondContact OD2-ND1 3.17Å; D211-L240 VanDerWaalsContact CA-CD2 3.49Å; D211-L240 HydrophobicContact CB-CD2 3.71Å; D211-L240 HydrophobicContact CB-CG 4.29Å; D211-K243 VanDerWaalsContact CG-NZ 3.34Å; D211-K243 PolarHBondContact O-NZ 2.88Å; D211-K243 WeakPolarHBondContact OD1-CD 3.34Å; D211-K243 VanDerWaalsContact OD1-CE 3.3Å; D211-K243 WeakPolarHBondContact OD1-CE 3.49Å; D211-K243 IonicContact OD1-NZ 3.96Å; D211-K243 PolarHBondContact OD1-NZ 2.79Å; D211-K243 IonicContact OD2-NZ 3.88Å
212Q93.8Very high95.1Very high158 Ų15855.2 Ų55.274%0.73828%0.282SS*.THydrogen-bonded Turntrans-95.7-8176.7-67.4174.4-3.300113.3K208 I209 L210K208-Q212 WeakPolarHBondContact O-CG 3.34Å; K208-Q212 PolarHBondContact O-N 3.24Å; I209-Q212 PolarHBondContact O-N 2.85Å; L210-Q212 PolarHBondContact O-N 3.4Å
213A90.9Very high95.1Very high44 Ų4454.4 Ų54.436%0.36428%0.278SS..  trans-69.6145.2-178.500000111.2I209 L210 S215 V216I209-A213 PolarHBondContact O-N 3.27Å; I209-A213 VanDerWaalsContact O-N 3.16Å; L210-A213 WeakPolarHBondContact O-CB 3.45Å; L210-A213 PolarHBondContact O-N 2.98Å; L210-A213 VanDerWaalsContact O-N 3.12Å; A213-S215 VanDerWaalsContact C-N 3.35Å; A213-V216 HydrophobicContact CB-CG2 3.74Å
214I78.4Confident95.1Very high180 Ų18051.5 Ų51.592%0.92327%0.266SS*.SBendtrans-69.2-34.3-177.8-63.8173.4000111.5
215S87.9Confident95Very high70 Ų7053.3 Ų53.349%0.4928%0.284SS..  trans-142.498.7-174.260.40000111.3M192 A213M192-S215 WeakPolarHBondContact CE-O 3.34Å; A213-S215 VanDerWaalsContact C-N 3.35Å
216V95.7Very high94.9Very high24 Ų2450.6 Ų50.615%0.14528%0.276CS..  trans-135.3115.7166.8177.90000105.8M192 P194 L210 A213 G218 L245M192-V216 HydrophobicContact CE-CG2 3.61Å; M192-V216 HydrophobicContact SD-CG2 4.25Å; P194-V216 HydrophobicContact CG-CG1 4.08Å; L210-V216 HydrophobicContact CD2-CG2 4.1Å; A213-V216 HydrophobicContact CB-CG2 3.74Å; V216-G218 VanDerWaalsContact CG1-O 3.28Å; V216-G218 WeakPolarHBondContact CG1-O 3.14Å; V216-L245 HydrophobicContact CG1-CD1 4.06Å; V216-L245 HydrophobicContact CG1-CD2 4.05Å; V216-L245 WeakPolarHBondContact O-CD1 3.23Å
217D96.5Very high95Very high71 Ų7144.4 Ų44.438%0.3825%0.249SC..  trans-98.1-17.1-173-55.1-72.1000112.3A191 M192 P246 L295A191-D217 WeakPolarHBondContact CA-OD2 3.28Å; A191-D217 HydrophobicContact CB-CB 4.12Å; M192-D217 PolarHBondContact N-OD2 3.43Å; M192-D217 PolarHBondContact O-N 3.21Å; D217-P246 VanDerWaalsContact O-CD 3.25Å; D217-P246 WeakPolarHBondContact O-CD 3.33Å; D217-P246 VanDerWaalsContact O-CG 3.26Å; D217-P246 WeakPolarHBondContact O-CG 3.43Å; D217-L295 HydrophobicContact CB-CD1 3.97Å; D217-L295 WeakPolarHBondContact O-CD1 3.2Å
218G98Very high95Very high0 Ų045 Ų450%025%0.252CS..  trans-166.2172.5172.200000110.8I193 P194 V216 P246I193-G218 WeakPolarHBondContact CA-O 3.42Å; P194-G218 WeakPolarHBondContact CD-O 3.36Å; V216-G218 VanDerWaalsContact CG1-O 3.28Å; V216-G218 WeakPolarHBondContact CG1-O 3.14Å; G218-P246 WeakPolarHBondContact CA-O 3.43Å
219L98.3Very high95.1Very high0 Ų040.8 Ų40.80%023%0.234CC..EExtended strand (participates in β ladder)trans-141.5135.5-178.8171.362.8000110.5P194 V196 F207 L210 V221 L240 L245 P246 I247 V248P194-L219 HydrophobicContact CG-CD1 4.14Å; V196-L219 HydrophobicContact CB-CD1 4.34Å; V196-L219 HydrophobicContact CG2-CD1 3.79Å; F207-L219 HydrophobicContact CD1-CD2 4.05Å; F207-L219 HydrophobicContact CE1-CD2 3.9Å; L210-L219 HydrophobicContact CD1-CD1 3.78Å; L210-L219 HydrophobicContact CD1-CD2 4.22Å; L219-V221 HydrophobicContact CD1-CG2 4.37Å; L219-V221 HydrophobicContact CD2-CG2 3.98Å; L219-V221 HydrophobicContact CG-CG2 3.86Å; L219-L240 HydrophobicContact CD2-CD1 4.07Å; L219-L245 HydrophobicContact CB-CD2 3.98Å; L219-P246 PolarHBondContact N-O 3.26Å; L219-I247 HydrophobicContact CB-CG1 4.26Å; L219-I247 HydrophobicContact CB-CG2 4.38Å; L219-I247 HydrophobicContact CD2-CD1 4.15Å; L219-I247 HydrophobicContact CD2-CG1 4.28Å; L219-I247 HydrophobicContact CD2-CG2 4.16Å; L219-I247 HydrophobicContact CG-CG2 4.23Å; L219-I247 CarbonylContact O-C 3.56Å; L219-I247 WeakPolarHBondContact O-CA 3.39Å; L219-V248 PolarHBondContact O-N 2.73Å
220V98.6Very high95.1Very high0 Ų036.2 Ų36.20%021%0.211CC..EExtended strand (participates in β ladder)trans-107.3133.5168176.60000109.6I193 P194 I195 V196 V248 V250 A287 R288I193-V220 HydrophobicContact CG2-CG2 3.99Å; P194-V220 PolarHBondContact O-N 3.26Å; I195-V220 CarbonylContact C-O 3.58Å; I195-V220 VanDerWaalsContact CA-O 3.31Å; I195-V220 WeakPolarHBondContact CA-O 3.27Å; I195-V220 HydrophobicContact CG1-CB 4.05Å; I195-V220 HydrophobicContact CG1-CG1 4.33Å; V196-V220 PolarHBondContact N-O 3.03Å; V220-V248 CarbonylContact C-O 3.59Å; V220-V248 VanDerWaalsContact CA-O 3.29Å; V220-V248 WeakPolarHBondContact CA-O 3.35Å; V220-V248 HydrophobicContact CG2-CB 4.28Å; V220-V250 HydrophobicContact CG1-CG2 4.2Å; V220-A287 HydrophobicContact CG1-CB 4.14Å; V220-A287 HydrophobicContact CG2-CB 4.33Å; V220-R288 HydrophobicContact CG2-CB 4.11Å
221V98.4Very high95.2Very high0 Ų037.3 Ų37.30%022%0.22CC..EExtended strand (participates in β ladder)trans-119.4122.8179-177.30000110.6V196 V198 F207 L219 A223 L229 F237 I247 V248 V250V196-V221 CarbonylContact O-C 3.45Å; V196-V221 WeakPolarHBondContact O-CA 3.44Å; V198-V221 HydrophobicContact CG2-CG1 3.4Å; F207-V221 HydrophobicContact CE1-CG2 4.16Å; F207-V221 HydrophobicContact CZ-CG1 4.48Å; F207-V221 HydrophobicContact CZ-CG2 4.36Å; L219-V221 HydrophobicContact CD1-CG2 4.37Å; L219-V221 HydrophobicContact CD2-CG2 3.98Å; L219-V221 HydrophobicContact CG-CG2 3.86Å; V221-A223 PolarHBondContact O-N 3.07Å; V221-L229 HydrophobicContact CG1-CD2 3.92Å; V221-F237 HydrophobicContact CG2-CE2 4.02Å; V221-I247 HydrophobicContact CG2-CG2 3.95Å; V221-V248 PolarHBondContact N-O 3.04Å; V221-V250 PolarHBondContact O-N 3.1Å; V221-V250 VanDerWaalsContact O-O 3.04Å
222E97.8Very high95.4Very high26 Ų2640.5 Ų40.512%0.12123%0.234CC..EExtended strand (participates in β ladder)trans-8691.8168-57.8-173.515100109.9I195 V196 K197 V198 V250 R252 S284I195-E222 HydrophobicContact CG2-CG 4.07Å; V196-E222 PolarHBondContact O-N 3.47Å; K197-E222 HydrophobicContact CB-CB 4.31Å; K197-E222 WeakPolarHBondContact CB-OE2 3.34Å; K197-E222 WeakPolarHBondContact CD-OE2 3.4Å; K197-E222 WeakPolarHBondContact CE-OE2 3.42Å; K197-E222 HydrophobicContact CG-CB 4.18Å; K197-E222 WeakPolarHBondContact CG-OE2 3.39Å; K197-E222 IonicContact NZ-OE2 2.77Å; K197-E222 PolarHBondContact NZ-OE2 3.08Å; V198-E222 WeakPolarHBondContact CB-O 3.34Å; V198-E222 WeakPolarHBondContact CG2-O 3.2Å; V198-E222 PolarHBondContact N-O 3.47Å; E222-V250 CarbonylContact C-O 3.53Å; E222-V250 WeakPolarHBondContact CA-O 3.01Å; E222-V250 HydrophobicContact CG-CG2 4.14Å; E222-R252 HydrophobicContact CB-CB 3.92Å; E222-S284 VanDerWaalsContact CG-CB 3.47Å; E222-S284 VanDerWaalsContact OE1-CB 3.25Å; E222-S284 WeakPolarHBondContact OE1-CB 3.41Å; E222-S284 PolarHBondContact OE1-OG 3.4Å
223A97.8Very high95.6Very high0 Ų033 Ų330%020%0.198CC..EExtended strand (participates in β ladder)trans-82.1171.1-174.400000113.5V221 L229 L249 V250 R252V221-A223 PolarHBondContact O-N 3.07Å; A223-L229 HydrophobicContact CB-CD2 4.14Å; A223-L249 HydrophobicContact CB-CD1 3.63Å; A223-L249 HydrophobicContact CB-CD2 3.85Å; A223-L249 HydrophobicContact CB-CG 3.67Å; A223-V250 PolarHBondContact N-O 3.47Å; A223-R252 WeakPolarHBondContact O-CG 3.42Å; A223-R252 PolarHBondContact O-N 3.48Å
224L97.1Very high96Very high38 Ų3830.9 Ų30.920%0.19918%0.181CC..BIsolated β-bridgetrans-78.8135.1179-55.1176.2000110.9V198 A226 G227 N228 P230V198-L224 HydrophobicContact CG1-CD1 4.45Å; V198-L224 HydrophobicContact CG1-CD2 4.36Å; V198-L224 HydrophobicContact CG1-CG 4.05Å; L224-A226 PolarHBondContact O-N 3.48Å; L224-G227 PolarHBondContact O-N 3.08Å; L224-N228 WeakPolarHBondContact CB-O 3.28Å; L224-N228 PolarHBondContact N-O 3.19Å; L224-N228 PolarHBondContact O-N 2.9Å; L224-P230 HydrophobicContact CD1-CG 4.3Å
225G95.3Very high96.9Very high37 Ų3726.7 Ų26.738%0.38117%0.166SC..THydrogen-bonded Turntrans56.4-124.3168.800000113.1G227 S251G225-G227 PolarHBondContact O-N 3.15Å; G225-S251 WeakPolarHBondContact O-CB 3.27Å; G225-S251 PolarHBondContact O-OG 3.33Å
226A94.5Very high97.3Very high28 Ų2824 Ų2423%0.23115%0.146CC..THydrogen-bonded Turntrans-754178.400000114.1L224 A258 E259 Y262L224-A226 PolarHBondContact O-N 3.48Å; A226-A258 CarbonylContact O-C 3.45Å; A226-A258 VanDerWaalsContact O-CA 3.23Å; A226-A258 WeakPolarHBondContact O-CA 3.48Å; A226-A258 WeakPolarHBondContact O-CB 3.37Å; A226-E259 PolarHBondContact O-N 2.76Å; A226-Y262 HydrophobicContact CB-CD2 4.31Å; A226-Y262 HydrophobicContact CB-CE2 3.99Å
227G96.2Very high97.4Very high0 Ų022.8 Ų22.80%014%0.139CC..THydrogen-bonded Turntrans113.554.8176.900000113.9L224 G225 L249L224-G227 PolarHBondContact O-N 3.08Å; G225-G227 PolarHBondContact O-N 3.15Å; G227-L249 VanDerWaalsContact CA-CD2 3.48Å
228N97.7Very high97.5Very high12 Ų1220.7 Ų20.76%0.06413%0.126CC..BIsolated β-bridgetrans-118.1153.6-178.8-51.2-56.3000111.9L224 Y262 Y264 G266 G267 G268L224-N228 WeakPolarHBondContact CB-O 3.28Å; L224-N228 PolarHBondContact N-O 3.19Å; L224-N228 PolarHBondContact O-N 2.9Å; N228-Y262 WeakPolarHBondContact ND2-CD2 3.34Å; N228-Y264 WeakPolarHBondContact CB-OH 3.05Å; N228-Y264 PolarHBondContact ND2-OH 2.77Å; N228-G266 WeakPolarHBondContact CA-O 3.29Å; N228-G267 WeakPolarHBondContact OD1-CA 3.45Å; N228-G268 PolarHBondContact OD1-N 3.34Å
229L98.2Very high97.4Very high5 Ų524.4 Ų24.43%0.02614%0.143CC..  trans-119.4147.6177.9-61.4-176000111.5V198 V221 A223 L234 F237 G266 L271V198-L229 HydrophobicContact CB-CD2 4.27Å; V198-L229 HydrophobicContact CG1-CD2 4.01Å; V198-L229 HydrophobicContact CG2-CD2 3.53Å; V221-L229 HydrophobicContact CG1-CD2 3.92Å; A223-L229 HydrophobicContact CB-CD2 4.14Å; L229-L234 HydrophobicContact CB-CD2 4.02Å; L229-L234 HydrophobicContact CD1-CD2 4.16Å; L229-F237 HydrophobicContact CD1-CD1 4.05Å; L229-F237 HydrophobicContact CD1-CD2 4.01Å; L229-F237 HydrophobicContact CD1-CE1 3.9Å; L229-F237 HydrophobicContact CD1-CE2 3.86Å; L229-F237 HydrophobicContact CD1-CG 4.1Å; L229-F237 HydrophobicContact CD1-CZ 3.8Å; L229-G266 PolarHBondContact N-O 3.1Å; L229-L271 HydrophobicContact CB-CD1 4.39Å; L229-L271 HydrophobicContact CD1-CD1 4.1Å; L229-L271 HydrophobicContact CD1-CD2 3.95Å; L229-L271 HydrophobicContact CG-CD1 3.81Å; L229-L271 HydrophobicContact CG-CD2 4.42Å
230P98Very high97.4Very high12 Ų1224.7 Ų24.78%0.07815%0.145CC..  trans-62.2137.9167.7-20.832.4000111.2V198 S199 M202 L224 Q232 T233V198-P230 VanDerWaalsContact CG1-CD 3.47Å; V198-P230 HydrophobicContact CG1-CG 4.16Å; S199-P230 WeakPolarHBondContact O-CG 3.49Å; M202-P230 HydrophobicContact CB-CG 4.3Å; L224-P230 HydrophobicContact CD1-CG 4.3Å; P230-Q232 PolarHBondContact O-N 2.91Å; P230-Q232 VanDerWaalsContact O-N 3.08Å; P230-T233 HydrophobicContact CB-CG2 4.26Å; P230-T233 HydrophobicContact CG-CG2 4.33Å; P230-T233 WeakPolarHBondContact O-CB 3.5Å; P230-T233 PolarHBondContact O-N 3.37Å; P230-T233 PolarHBondContact O-OG1 2.94Å
231P97.6Very high97.3Very high48 Ų4825.8 Ų25.831%0.31215%0.151SC..G310 helixtrans-50.1-37-179.7-32.937.4000115.2T233 L234P231-T233 PolarHBondContact O-N 2.86Å; P231-L234 WeakPolarHBondContact O-CB 3.44Å; P231-L234 WeakPolarHBondContact O-CG 3.14Å; P231-L234 PolarHBondContact O-N 2.94Å
232Q97.5Very high97.2Very high97 Ų9733.1 Ų33.145%0.45319%0.185SC..G310 helixtrans-63.9-22.1-178-71.268.630.600113.4E203 G204 P230E203-Q232 VanDerWaalsContact OE2-CB 3.24Å; E203-Q232 WeakPolarHBondContact OE2-CB 3.39Å; E203-Q232 WeakPolarHBondContact OE2-CG 3.4Å; G204-Q232 PolarHBondContact N-O 2.89Å; P230-Q232 PolarHBondContact O-N 2.91Å; P230-Q232 VanDerWaalsContact O-N 3.08Å
233T98Very high97Very high0 Ų037.6 Ų37.60%020%0.204CC..G310 helixtrans-78.7-22.9176.367.60000113.4M202 F207 P230 P231 P236 F237M202-T233 HydrophobicContact CB-CG2 4.13Å; M202-T233 HydrophobicContact CG-CG2 4.05Å; M202-T233 WeakPolarHBondContact O-CG2 3.47Å; F207-T233 HydrophobicContact CE2-CG2 4.15Å; P230-T233 HydrophobicContact CB-CG2 4.26Å; P230-T233 HydrophobicContact CG-CG2 4.33Å; P230-T233 WeakPolarHBondContact O-CB 3.5Å; P230-T233 PolarHBondContact O-N 3.37Å; P230-T233 PolarHBondContact O-OG1 2.94Å; P231-T233 PolarHBondContact O-N 2.86Å; T233-P236 WeakPolarHBondContact O-CD 3.49Å; T233-P236 WeakPolarHBondContact O-CG 3.24Å; T233-F237 VanDerWaalsContact O-CB 3.24Å; T233-F237 WeakPolarHBondContact O-CB 3.37Å; T233-F237 PolarHBondContact O-N 3.2Å
234L98Very high96.9Very high1 Ų140.2 Ų40.21%0.00523%0.231CC..Hα-helixtrans-67.8-40.2-164.7-59.1175.2000114.7L229 P231 F237 Y238 H265 L271L229-L234 HydrophobicContact CB-CD2 4.02Å; L229-L234 HydrophobicContact CD1-CD2 4.16Å; P231-L234 WeakPolarHBondContact O-CB 3.44Å; P231-L234 WeakPolarHBondContact O-CG 3.14Å; P231-L234 PolarHBondContact O-N 2.94Å; L234-F237 WeakPolarHBondContact O-CB 3.42Å; L234-F237 PolarHBondContact O-N 2.8Å; L234-F237 VanDerWaalsContact O-N 3.1Å; L234-Y238 HydrophobicContact CB-CD2 4.15Å; L234-Y238 HydrophobicContact CB-CE2 3.8Å; L234-Y238 HydrophobicContact CD1-CE2 4.34Å; L234-Y238 HydrophobicContact CD2-CE1 4.25Å; L234-Y238 HydrophobicContact CG-CE2 4.44Å; L234-Y238 PolarHBondContact O-N 3.35Å; L234-H265 WeakPolarHBondContact CD1-CE1 3.33Å; L234-L271 HydrophobicContact CD2-CD2 3.8Å
235P97.4Very high96.9Very high92 Ų9239.4 Ų39.460%0.59723%0.227SC*.Hα-helixtrans-56.5-52.8-176.4-24.232.8000114.4F237 H239P235-F237 VanDerWaalsContact C-N 3.33Å; P235-H239 PolarHBondContact O-N 3.01Å
236P97.2Very high97Very high12 Ų1238.9 Ų38.98%0.07822%0.217CC..Hα-helixtrans-70.7-28.9173.828.1-35.2000113.2G204 F207 K208 T233 H239 L240G204-P236 VanDerWaalsContact O-CG 3.29Å; G204-P236 WeakPolarHBondContact O-CG 3.43Å; F207-P236 HydrophobicContact CB-CB 3.92Å; F207-P236 HydrophobicContact CB-CG 3.9Å; K208-P236 HydrophobicContact CB-CB 4.38Å; K208-P236 HydrophobicContact CG-CB 3.56Å; K208-P236 HydrophobicContact CG-CG 3.85Å; T233-P236 WeakPolarHBondContact O-CD 3.49Å; T233-P236 WeakPolarHBondContact O-CG 3.24Å; P236-H239 PolarHBondContact O-N 3.29Å; P236-L240 WeakPolarHBondContact O-CG 3.41Å; P236-L240 PolarHBondContact O-N 2.96Å
237F98Very high97.2Very high0 Ų037.6 Ų37.60%021%0.206CC..Hα-helixtrans-65.5-42.1178.3-179.1-92.8000112.4F207 V221 L229 T233 L234 P235 L240 L241 I247 L271 V276F207-F237 HydrophobicContact CD1-CD2 4.04Å; F207-F237 HydrophobicContact CD2-CB 4.13Å; F207-F237 HydrophobicContact CD2-CD2 4.25Å; F207-F237 AromaticContact CE1-CD2 3.85Å; F207-F237 HydrophobicContact CE1-CD2 3.85Å; F207-F237 HydrophobicContact CE1-CE2 4.34Å; F207-F237 HydrophobicContact CE2-CD2 4.06Å; F207-F237 HydrophobicContact CG-CB 4.29Å; F207-F237 HydrophobicContact CG-CD2 4.25Å; F207-F237 AromaticContact CZ-CD2 3.86Å; F207-F237 HydrophobicContact CZ-CD2 3.86Å; F207-F237 HydrophobicContact CZ-CE2 4.36Å; V221-F237 HydrophobicContact CG2-CE2 4.02Å; L229-F237 HydrophobicContact CD1-CD1 4.05Å; L229-F237 HydrophobicContact CD1-CD2 4.01Å; L229-F237 HydrophobicContact CD1-CE1 3.9Å; L229-F237 HydrophobicContact CD1-CE2 3.86Å; L229-F237 HydrophobicContact CD1-CG 4.1Å; L229-F237 HydrophobicContact CD1-CZ 3.8Å; T233-F237 VanDerWaalsContact O-CB 3.24Å; T233-F237 WeakPolarHBondContact O-CB 3.37Å; T233-F237 PolarHBondContact O-N 3.2Å; L234-F237 WeakPolarHBondContact O-CB 3.42Å; L234-F237 PolarHBondContact O-N 2.8Å; L234-F237 VanDerWaalsContact O-N 3.1Å; P235-F237 VanDerWaalsContact C-N 3.33Å; F237-L240 WeakPolarHBondContact O-CB 3.26Å; F237-L240 PolarHBondContact O-N 2.82Å; F237-L241 HydrophobicContact CD1-CD1 4.28Å; F237-L241 HydrophobicContact CE1-CD1 3.87Å; F237-L241 PolarHBondContact O-N 3.49Å; F237-I247 HydrophobicContact CD2-CD1 4.18Å; F237-I247 HydrophobicContact CE1-CD1 4.41Å; F237-I247 HydrophobicContact CE2-CD1 3.74Å; F237-I247 HydrophobicContact CE2-CG2 3.74Å; F237-I247 HydrophobicContact CZ-CB 4.48Å; F237-I247 HydrophobicContact CZ-CD1 3.88Å; F237-I247 HydrophobicContact CZ-CG2 3.74Å; F237-L271 HydrophobicContact CD1-CD2 4.4Å; F237-L271 HydrophobicContact CE1-CD2 3.91Å; F237-V276 HydrophobicContact CE1-CG2 3.55Å; F237-V276 HydrophobicContact CZ-CG2 3.65Å
238Y97.8Very high97.3Very high26 Ų2637.6 Ų37.610%0.10221%0.206CC..Hα-helixtrans-68.9-33.9175.2-66.3-26.8000112.4L234 L240 L241 E242 E270 L271 H274L234-Y238 HydrophobicContact CB-CD2 4.15Å; L234-Y238 HydrophobicContact CB-CE2 3.8Å; L234-Y238 HydrophobicContact CD1-CE2 4.34Å; L234-Y238 HydrophobicContact CD2-CE1 4.25Å; L234-Y238 HydrophobicContact CG-CE2 4.44Å; L234-Y238 PolarHBondContact O-N 3.35Å; Y238-L240 VanDerWaalsContact C-N 3.27Å; Y238-L240 PolarHBondContact O-N 3.08Å; Y238-L241 HydrophobicContact CD1-CD1 3.98Å; Y238-L241 WeakPolarHBondContact O-CB 3.44Å; Y238-L241 PolarHBondContact O-N 3.14Å; Y238-L241 VanDerWaalsContact O-N 3.1Å; Y238-E242 WeakPolarHBondContact O-CG 3.49Å; Y238-E242 PolarHBondContact O-N 3.26Å; Y238-E270 VanDerWaalsContact OH-CG 3.31Å; Y238-E270 WeakPolarHBondContact OH-CG 3.28Å; Y238-E270 PolarHBondContact OH-OE1 2.79Å; Y238-E270 PolarHBondContact OH-OE2 2.98Å; Y238-L271 HydrophobicContact CE1-CD2 4.01Å; Y238-H274 HydrophobicContact CD1-CB 4.26Å; Y238-H274 HydrophobicContact CE1-CB 4.08Å; Y238-H274 AromaticContact CE1-CG 3.87Å
239H96.8Very high97.3Very high78 Ų7837 Ų3736%0.36120%0.203SC..Hα-helixtrans-61.4-36.1173.2-168.3-131.3000112.4D211 P235 P236 E242 K243D211-H239 IonicContact OD1-CE1 3.16Å; D211-H239 IonicContact OD1-CG 3.17Å; D211-H239 IonicContact OD1-ND1 3.71Å; D211-H239 PolarHBondContact OD1-ND1 3.31Å; D211-H239 IonicContact OD2-CE1 3.91Å; D211-H239 PolarHBondContact OD2-CE1 3.23Å; D211-H239 IonicContact OD2-CG 3.63Å; D211-H239 IonicContact OD2-ND1 3.36Å; D211-H239 PolarHBondContact OD2-ND1 3.17Å; P235-H239 PolarHBondContact O-N 3.01Å; P236-H239 PolarHBondContact O-N 3.29Å; H239-E242 IonicContact CD2-OE2 3.03Å; H239-E242 PolarHBondContact O-N 3.32Å; H239-K243 VanDerWaalsContact CE1-CE 3.43Å; H239-K243 WeakPolarHBondContact CE1-CE 3.33Å; H239-K243 WeakPolarHBondContact O-CG 3.49Å; H239-K243 PolarHBondContact O-N 2.94Å; H239-K243 VanDerWaalsContact O-N 3.08Å
240L97.2Very high97.3Very high6 Ų636.8 Ų36.83%0.03120%0.202CC..Hα-helixtrans-62.3-43.4172.1-66.9170.9000112F207 L210 D211 L219 P236 F237 Y238 K243 L245 I247F207-L240 HydrophobicContact CB-CD1 4.12Å; F207-L240 HydrophobicContact CD1-CD1 4.1Å; L210-L240 HydrophobicContact CB-CD1 4.46Å; D211-L240 VanDerWaalsContact CA-CD2 3.49Å; D211-L240 HydrophobicContact CB-CD2 3.71Å; D211-L240 HydrophobicContact CB-CG 4.29Å; L219-L240 HydrophobicContact CD2-CD1 4.07Å; P236-L240 WeakPolarHBondContact O-CG 3.41Å; P236-L240 PolarHBondContact O-N 2.96Å; F237-L240 WeakPolarHBondContact O-CB 3.26Å; F237-L240 PolarHBondContact O-N 2.82Å; Y238-L240 VanDerWaalsContact C-N 3.27Å; Y238-L240 PolarHBondContact O-N 3.08Å; L240-K243 PolarHBondContact O-N 3.18Å; L240-L245 HydrophobicContact CB-CD2 4.18Å; L240-L245 HydrophobicContact CD2-CD2 4.06Å; L240-L245 WeakPolarHBondContact O-CB 3.25Å; L240-L245 PolarHBondContact O-N 2.97Å; L240-L245 VanDerWaalsContact O-N 3.16Å; L240-I247 HydrophobicContact CB-CD1 3.94Å
241L96.5Very high97.2Very high24 Ų2437.1 Ų37.113%0.12620%0.204CC..Hα-helixtrans-64.7-42176.4-70.4171.5000112.1F237 Y238 K243 G244 I247 H274 V276F237-L241 HydrophobicContact CD1-CD1 4.28Å; F237-L241 HydrophobicContact CE1-CD1 3.87Å; F237-L241 PolarHBondContact O-N 3.49Å; Y238-L241 HydrophobicContact CD1-CD1 3.98Å; Y238-L241 WeakPolarHBondContact O-CB 3.44Å; Y238-L241 PolarHBondContact O-N 3.14Å; Y238-L241 VanDerWaalsContact O-N 3.1Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 2.97Å; L241-G244 WeakPolarHBondContact O-CA 3.36Å; L241-G244 PolarHBondContact O-N 3.35Å; L241-I247 HydrophobicContact CD2-CB 3.94Å; L241-I247 HydrophobicContact CD2-CD1 3.59Å; L241-I247 HydrophobicContact CD2-CG1 3.72Å; L241-I247 HydrophobicContact CG-CD1 3.69Å; L241-I247 HydrophobicContact CG-CG1 4.37Å; L241-H274 HydrophobicContact CD1-CB 3.83Å; L241-V276 HydrophobicContact CD1-CG2 3.71Å; L241-V276 HydrophobicContact CD2-CG2 4.22Å
242E96Very high97.1Very high153 Ų15340 Ų4072%0.71521%0.209SC*.Hα-helixtrans-62.9-33.6178.2-73.3172.2-179.500112.2Y238 H239 G244Y238-E242 WeakPolarHBondContact O-CG 3.49Å; Y238-E242 PolarHBondContact O-N 3.26Å; H239-E242 IonicContact CD2-OE2 3.03Å; H239-E242 PolarHBondContact O-N 3.32Å; E242-G244 PolarHBondContact O-N 2.94Å
243K94.6Very high97Very high120 Ų12038.5 Ų38.552%0.52221%0.209SC..THydrogen-bonded Turntrans-69.3-5.4170.4-75.4178.3173.3175.90113.9D211 H239 L240 L241D211-K243 VanDerWaalsContact CG-NZ 3.34Å; D211-K243 PolarHBondContact O-NZ 2.88Å; D211-K243 WeakPolarHBondContact OD1-CD 3.34Å; D211-K243 VanDerWaalsContact OD1-CE 3.3Å; D211-K243 WeakPolarHBondContact OD1-CE 3.49Å; D211-K243 IonicContact OD1-NZ 3.96Å; D211-K243 PolarHBondContact OD1-NZ 2.79Å; D211-K243 IonicContact OD2-NZ 3.88Å; H239-K243 VanDerWaalsContact CE1-CE 3.43Å; H239-K243 WeakPolarHBondContact CE1-CE 3.33Å; H239-K243 WeakPolarHBondContact O-CG 3.49Å; H239-K243 PolarHBondContact O-N 2.94Å; H239-K243 VanDerWaalsContact O-N 3.08Å; L240-K243 PolarHBondContact O-N 3.18Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 2.97Å
244G94.8Very high96.6Very high55 Ų5545 Ų4557%0.56724%0.237SC*.THydrogen-bonded Turntrans82.914.1-179.600000114.2L241 E242 P246L241-G244 WeakPolarHBondContact O-CA 3.36Å; L241-G244 PolarHBondContact O-N 3.35Å; E242-G244 PolarHBondContact O-N 2.94Å; G244-P246 WeakPolarHBondContact O-CD 3.46Å
245L96.9Very high96.2Very high22 Ų2248.8 Ų48.812%0.11526%0.257CS..  trans-66124.3176.2-170.573.7000109.7V216 L219 L240 I247V216-L245 HydrophobicContact CG1-CD1 4.06Å; V216-L245 HydrophobicContact CG1-CD2 4.05Å; V216-L245 WeakPolarHBondContact O-CD1 3.23Å; L219-L245 HydrophobicContact CB-CD2 3.98Å; L240-L245 HydrophobicContact CB-CD2 4.18Å; L240-L245 HydrophobicContact CD2-CD2 4.06Å; L240-L245 WeakPolarHBondContact O-CB 3.25Å; L240-L245 PolarHBondContact O-N 2.97Å; L240-L245 VanDerWaalsContact O-N 3.16Å; L245-I247 HydrophobicContact CD2-CG1 4.41Å; L245-I247 PolarHBondContact O-N 3.43Å
246P98Very high95.8Very high26 Ų2646.8 Ų46.817%0.16925%0.254CS..  trans-69.1115.5173.426.2-30.4000109.6D217 G218 L219 G244 L291 L295 L304D217-P246 VanDerWaalsContact O-CD 3.25Å; D217-P246 WeakPolarHBondContact O-CD 3.33Å; D217-P246 VanDerWaalsContact O-CG 3.26Å; D217-P246 WeakPolarHBondContact O-CG 3.43Å; G218-P246 WeakPolarHBondContact CA-O 3.43Å; L219-P246 PolarHBondContact N-O 3.26Å; G244-P246 WeakPolarHBondContact O-CD 3.46Å; P246-L291 HydrophobicContact CB-CD1 4.24Å; P246-L291 HydrophobicContact CG-CD1 4.35Å; P246-L295 HydrophobicContact CG-CD2 4.19Å; P246-L304 HydrophobicContact CB-CD2 4.31Å
247I98.5Very high95.5Very high0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-109.3120.3176.4-52.7-176.6000109.4L219 V221 F237 L240 L241 L245 I277L219-I247 HydrophobicContact CB-CG1 4.26Å; L219-I247 HydrophobicContact CB-CG2 4.38Å; L219-I247 HydrophobicContact CD2-CD1 4.15Å; L219-I247 HydrophobicContact CD2-CG1 4.28Å; L219-I247 HydrophobicContact CD2-CG2 4.16Å; L219-I247 HydrophobicContact CG-CG2 4.23Å; L219-I247 CarbonylContact O-C 3.56Å; L219-I247 WeakPolarHBondContact O-CA 3.39Å; V221-I247 HydrophobicContact CG2-CG2 3.95Å; F237-I247 HydrophobicContact CD2-CD1 4.18Å; F237-I247 HydrophobicContact CE1-CD1 4.41Å; F237-I247 HydrophobicContact CE2-CD1 3.74Å; F237-I247 HydrophobicContact CE2-CG2 3.74Å; F237-I247 HydrophobicContact CZ-CB 4.48Å; F237-I247 HydrophobicContact CZ-CD1 3.88Å; F237-I247 HydrophobicContact CZ-CG2 3.74Å; L240-I247 HydrophobicContact CB-CD1 3.94Å; L241-I247 HydrophobicContact CD2-CB 3.94Å; L241-I247 HydrophobicContact CD2-CD1 3.59Å; L241-I247 HydrophobicContact CD2-CG1 3.72Å; L241-I247 HydrophobicContact CG-CD1 3.69Å; L241-I247 HydrophobicContact CG-CG1 4.37Å; L245-I247 HydrophobicContact CD2-CG1 4.41Å; L245-I247 PolarHBondContact O-N 3.43Å; I247-I277 PolarHBondContact O-N 2.67Å
248V98.5Very high95.2Very high0 Ų050.8 Ų50.80%027%0.274CS..EExtended strand (participates in β ladder)trans-102.5129.6176.5175.30000109L219 V220 V221 I277 C279 A287 L291 M308L219-V248 PolarHBondContact O-N 2.73Å; V220-V248 CarbonylContact C-O 3.59Å; V220-V248 VanDerWaalsContact CA-O 3.29Å; V220-V248 WeakPolarHBondContact CA-O 3.35Å; V220-V248 HydrophobicContact CG2-CB 4.28Å; V221-V248 PolarHBondContact N-O 3.04Å; V248-I277 CarbonylContact C-O 3.41Å; V248-I277 WeakPolarHBondContact CA-O 3.28Å; V248-I277 HydrophobicContact CG2-CB 4.41Å; V248-C279 HydrophobicContact CG1-CB 3.45Å; V248-C279 VanDerWaalsContact CG1-CB 3.45Å; V248-A287 HydrophobicContact CG1-CB 4.24Å; V248-L291 HydrophobicContact CG2-CB 4.47Å; V248-L291 HydrophobicContact CG2-CD1 4.19Å; V248-L291 HydrophobicContact CG2-CD2 3.9Å; V248-L291 HydrophobicContact CG2-CG 4.43Å; V248-M308 HydrophobicContact CB-CE 4.2Å; V248-M308 HydrophobicContact CG1-CE 3.65Å; V248-M308 HydrophobicContact CG2-CE 3.56Å; V248-M308 HydrophobicContact CG2-CG 4.22Å; V248-M308 HydrophobicContact CG2-SD 4.45Å
249L98.4Very high95Very high0 Ų054.8 Ų54.80%029%0.293CS..EExtended strand (participates in β ladder)trans-108.7131.6177.3-174.2152.1000109.9A223 G227 A258 L271 V276 I277 F278 C279A223-L249 HydrophobicContact CB-CD1 3.63Å; A223-L249 HydrophobicContact CB-CD2 3.85Å; A223-L249 HydrophobicContact CB-CG 3.67Å; G227-L249 VanDerWaalsContact CA-CD2 3.48Å; L249-A258 HydrophobicContact CD2-CB 3.74Å; L249-L271 HydrophobicContact CD1-CD1 3.91Å; L249-V276 HydrophobicContact CB-CG1 3.54Å; L249-V276 HydrophobicContact CD1-CG1 4.15Å; L249-V276 HydrophobicContact CG-CG1 4.5Å; L249-I277 PolarHBondContact N-O 3.4Å; L249-F278 HydrophobicContact CD1-CE1 4.42Å; L249-F278 HydrophobicContact CD1-CZ 4.32Å; L249-F278 HydrophobicContact CD2-CD1 3.79Å; L249-F278 HydrophobicContact CD2-CE1 3.71Å; L249-F278 HydrophobicContact CD2-CZ 4.37Å; L249-C279 PolarHBondContact O-N 3.21Å
250V97.5Very high95Very high1 Ų154 Ų541%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-125.5163.3167.4-63.60000109.2V220 V221 E222 A223 C279 A287V220-V250 HydrophobicContact CG1-CG2 4.2Å; V221-V250 PolarHBondContact O-N 3.1Å; V221-V250 VanDerWaalsContact O-O 3.04Å; E222-V250 CarbonylContact C-O 3.53Å; E222-V250 WeakPolarHBondContact CA-O 3.01Å; E222-V250 HydrophobicContact CG-CG2 4.14Å; A223-V250 PolarHBondContact N-O 3.47Å; V250-C279 HydrophobicContact CG1-CB 3.96Å; V250-A287 HydrophobicContact CG1-CB 3.77Å
251S96.7Very high94.9Very high19 Ų1958 Ų5813%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-80.4144171.7-171.40000111.1G225 C253G225-S251 WeakPolarHBondContact O-CB 3.27Å; G225-S251 PolarHBondContact O-OG 3.33Å; S251-C253 VanDerWaalsContact OG-CB 3.25Å; S251-C253 WeakPolarHBondContact OG-CB 3.31Å; S251-C253 PolarHBondContact OG-N 2.84Å
252R95.6Very high94.9Very high108 Ų10862.5 Ų62.541%0.40834%0.336SS..SBendtrans-75.6-9.9164.379.6-173.8-171.81654.2113V198 E222 A223V198-R252 PolarHBondContact O-NH1 2.66Å; E222-R252 HydrophobicContact CB-CB 3.92Å; A223-R252 WeakPolarHBondContact O-CG 3.42Å; A223-R252 PolarHBondContact O-N 3.48Å
253C94.5Very high94.9Very high66 Ų6661.3 Ų61.345%0.44633%0.334SS..SBendtrans-63138.1174.1-70.40000109.2S251 N255S251-C253 VanDerWaalsContact OG-CB 3.25Å; S251-C253 WeakPolarHBondContact OG-CB 3.31Å; S251-C253 PolarHBondContact OG-N 2.84Å; C253-N255 PolarHBondContact O-N 2.95Å; C253-N255 VanDerWaalsContact O-N 3.17Å
254F89.7Confident95Very high137 Ų13760.9 Ų60.960%0.60133%0.33SS*.SBendtrans-57.9-30179.9167.6-106.2000113.3T146 T148 P159T146-F254 HydrophobicContact CG2-CE2 4.1Å; T148-F254 HydrophobicContact CG2-CE2 3.58Å; T148-F254 HydrophobicContact CG2-CZ 3.59Å; P159-F254 HydrophobicContact CB-CE1 4.33Å; P159-F254 HydrophobicContact CB-CZ 4.27Å; P159-F254 HydrophobicContact CG-CE1 4.17Å; P159-F254 HydrophobicContact CG-CE2 4.02Å; P159-F254 HydrophobicContact CG-CZ 3.62Å
255N89.9Confident95.1Very high79 Ų7963.4 Ų63.442%0.42233%0.327SS..SBendtrans-143.7158.3179.3-166.123.2000110.3P159 T160 C253P159-N255 HydrophobicContact CB-CB 4.22Å; T160-N255 VanDerWaalsContact OG1-CG 3.22Å; T160-N255 PolarHBondContact OG1-ND2 2.95Å; T160-N255 PolarHBondContact OG1-OD1 3.28Å; C253-N255 PolarHBondContact O-N 2.95Å; C253-N255 VanDerWaalsContact O-N 3.17Å
256G88.4Confident95.2Very high51 Ų5162.3 Ų62.353%0.52632%0.321SS..SBendtrans111.2172.7-175.900000112.3
257I90.5Very high95.2Very high92 Ų9261.1 Ų61.147%0.47231%0.313SS..  trans-115.2134.5178.5-58.9177.1000107E259 N280I257-E259 HydrophobicContact CG2-CG 4Å; I257-N280 HydrophobicContact CG2-CB 4.08Å; I257-N280 WeakPolarHBondContact CG2-OD1 3.44Å
258A93Very high95.1Very high3 Ų361.1 Ų61.13%0.02531%0.313CS..  trans-79.6127.8171.800000108.4A226 L249 F278A226-A258 CarbonylContact O-C 3.45Å; A226-A258 VanDerWaalsContact O-CA 3.23Å; A226-A258 WeakPolarHBondContact O-CA 3.48Å; A226-A258 WeakPolarHBondContact O-CB 3.37Å; L249-A258 HydrophobicContact CD2-CB 3.74Å; A258-F278 HydrophobicContact CB-CD1 4.06Å
259E93.8Very high95.1Very high111 Ų11162.5 Ų62.552%0.51932%0.322SS..  trans-138.6146.2-178.4-69.3-175.288.100109.6A226 I257 V261A226-E259 PolarHBondContact O-N 2.76Å; I257-E259 HydrophobicContact CG2-CG 4Å; E259-V261 HydrophobicContact CB-CG2 3.85Å; E259-V261 PolarHBondContact O-N 2.87Å
260P95.5Very high95.1Very high60 Ų6063.9 Ų63.939%0.3933%0.328SS..SBendtrans-74.373.1179.332.4-36.4000111.2G268 V269 A272 F278P260-G268 VanDerWaalsContact CB-O 3.24Å; P260-G268 WeakPolarHBondContact CB-O 3.44Å; P260-V269 WeakPolarHBondContact O-CG2 3.32Å; P260-A272 HydrophobicContact CB-CB 3.71Å; P260-A272 HydrophobicContact CG-CB 4.17Å; P260-F278 HydrophobicContact CB-CE1 4.44Å; P260-F278 HydrophobicContact CB-CE2 4.23Å; P260-F278 HydrophobicContact CB-CZ 4.11Å
261V95.7Very high95.1Very high90 Ų9063.9 Ų63.955%0.54533%0.328SS..  trans-94.7-38.9-174.7177.40000112.4E259E259-V261 HydrophobicContact CB-CG2 3.85Å; E259-V261 PolarHBondContact O-N 2.87Å
262Y96.1Very high95.1Very high119 Ų11964.6 Ų64.647%0.46734%0.335SS..  trans-92.6128.2-172.5-66.3-79.1000112.1A226 N228 Y264 G267 G268 V269A226-Y262 HydrophobicContact CB-CD2 4.31Å; A226-Y262 HydrophobicContact CB-CE2 3.99Å; N228-Y262 WeakPolarHBondContact ND2-CD2 3.34Å; Y262-Y264 VanDerWaalsContact CB-CE1 3.43Å; Y262-Y264 HydrophobicContact CD1-CD1 4.49Å; Y262-Y264 AromaticContact CD1-CE1 3.98Å; Y262-Y264 HydrophobicContact CD1-CE1 3.98Å; Y262-Y264 HydrophobicContact CG-CD1 4.49Å; Y262-Y264 AromaticContact CG-CE1 3.83Å; Y262-Y264 HydrophobicContact CG-CE1 3.83Å; Y262-G267 CarbonylContact O-C 3.26Å; Y262-G267 VanDerWaalsContact O-C 3.26Å; Y262-G267 WeakPolarHBondContact O-CA 3.36Å; Y262-G268 PolarHBondContact O-N 3.02Å; Y262-V269 WeakPolarHBondContact O-CB 3.1Å; Y262-V269 WeakPolarHBondContact O-CG2 3.4Å; Y262-V269 PolarHBondContact O-N 3.31Å
263D96.8Very high95.2Very high128 Ų12866.3 Ų66.368%0.68435%0.348SS*.  trans-108.972.6-178.4-167.118.5000111.1V269D263-V269 HydrophobicContact CB-CB 4.12Å; D263-V269 HydrophobicContact CB-CG1 4.34Å; D263-V269 HydrophobicContact CB-CG2 4.09Å
264Y96.7Very high95.3Very high111 Ų11167.3 Ų67.344%0.43535%0.346SS..SBendtrans-142.3172.317361.4-109.5000109N228 Y262 G266 G267N228-Y264 WeakPolarHBondContact CB-OH 3.05Å; N228-Y264 PolarHBondContact ND2-OH 2.77Å; Y262-Y264 VanDerWaalsContact CB-CE1 3.43Å; Y262-Y264 HydrophobicContact CD1-CD1 4.49Å; Y262-Y264 AromaticContact CD1-CE1 3.98Å; Y262-Y264 HydrophobicContact CD1-CE1 3.98Å; Y262-Y264 HydrophobicContact CG-CD1 4.49Å; Y262-Y264 AromaticContact CG-CE1 3.83Å; Y262-Y264 HydrophobicContact CG-CE1 3.83Å; Y264-G266 PolarHBondContact O-N 3.09Å; Y264-G266 VanDerWaalsContact O-N 3.07Å; Y264-G267 WeakPolarHBondContact O-CA 3.46Å; Y264-G267 PolarHBondContact O-N 3.36Å
265H97.5Very high95.7Very high108 Ų10862.8 Ų62.850%0.534%0.338SS..THydrogen-bonded Turntrans-62.6111.6-179.7-169.444.2000112.7L234 E270L234-H265 WeakPolarHBondContact CD1-CE1 3.33Å; H265-E270 WeakPolarHBondContact CA-OE2 3.44Å; H265-E270 IonicContact CE1-OE1 3.52Å; H265-E270 IonicContact CG-OE2 3.35Å; H265-E270 IonicContact ND1-OE1 2.73Å; H265-E270 PolarHBondContact ND1-OE1 3Å; H265-E270 IonicContact ND1-OE2 2.76Å; H265-E270 PolarHBondContact ND1-OE2 3.41Å; H265-E270 VanDerWaalsContact ND1-OE2 3.16Å
266G97.2Very high96.1Very high0 Ų059.3 Ų59.30%032%0.319CS..THydrogen-bonded Turntrans87.44.7-17100000114.9N228 L229 Y264 E270N228-G266 WeakPolarHBondContact CA-O 3.29Å; L229-G266 PolarHBondContact N-O 3.1Å; Y264-G266 PolarHBondContact O-N 3.09Å; Y264-G266 VanDerWaalsContact O-N 3.07Å; G266-E270 PolarHBondContact N-OE2 3.33Å
267G97.9Very high96.6Very high0 Ų057.5 Ų57.50%030%0.297CS..SBendtrans-74.7154.6172.300000111.9N228 Y262 Y264 V269 E270 L271N228-G267 WeakPolarHBondContact OD1-CA 3.45Å; Y262-G267 CarbonylContact O-C 3.26Å; Y262-G267 VanDerWaalsContact O-C 3.26Å; Y262-G267 WeakPolarHBondContact O-CA 3.36Å; Y264-G267 WeakPolarHBondContact O-CA 3.46Å; Y264-G267 PolarHBondContact O-N 3.36Å; G267-V269 PolarHBondContact O-N 3.21Å; G267-V269 VanDerWaalsContact O-N 3.13Å; G267-E270 PolarHBondContact O-N 3.29Å; G267-E270 VanDerWaalsContact O-N 3.12Å; G267-L271 WeakPolarHBondContact O-CG 3.29Å; G267-L271 PolarHBondContact O-N 2.58Å
268G97.5Very high96.9Very high0 Ų053.7 Ų53.70%028%0.278CS..Hα-helixtrans-56.9-30-174.800000115.2N228 P260 Y262 L271 A272 F278N228-G268 PolarHBondContact OD1-N 3.34Å; P260-G268 VanDerWaalsContact CB-O 3.24Å; P260-G268 WeakPolarHBondContact CB-O 3.44Å; Y262-G268 PolarHBondContact O-N 3.02Å; G268-L271 PolarHBondContact O-N 3.19Å; G268-A272 WeakPolarHBondContact O-CB 3.48Å; G268-A272 PolarHBondContact O-N 2.99Å; G268-F278 WeakPolarHBondContact O-CZ 3.48Å
269V97.9Very high97Very high30 Ų3053.7 Ų53.718%0.18228%0.277CS..Hα-helixtrans-62.8-48.8176174.30000111.2P260 Y262 D263 G267 L271 A272 Q273P260-V269 WeakPolarHBondContact O-CG2 3.32Å; Y262-V269 WeakPolarHBondContact O-CB 3.1Å; Y262-V269 WeakPolarHBondContact O-CG2 3.4Å; Y262-V269 PolarHBondContact O-N 3.31Å; D263-V269 HydrophobicContact CB-CB 4.12Å; D263-V269 HydrophobicContact CB-CG1 4.34Å; D263-V269 HydrophobicContact CB-CG2 4.09Å; G267-V269 PolarHBondContact O-N 3.21Å; G267-V269 VanDerWaalsContact O-N 3.13Å; V269-L271 VanDerWaalsContact C-N 3.34Å; V269-L271 PolarHBondContact O-N 3.36Å; V269-A272 PolarHBondContact O-N 3.42Å; V269-Q273 VanDerWaalsContact O-CG 3.29Å; V269-Q273 WeakPolarHBondContact O-CG 3.44Å; V269-Q273 PolarHBondContact O-N 3.28Å
270E98.3Very high96.7Very high29 Ų2951.1 Ų51.114%0.13627%0.267CS..Hα-helixtrans-61.6-44.7177.5-172.8-170170.200110.5Y238 H265 G266 G267 A272 Q273 H274Y238-E270 VanDerWaalsContact OH-CG 3.31Å; Y238-E270 WeakPolarHBondContact OH-CG 3.28Å; Y238-E270 PolarHBondContact OH-OE1 2.79Å; Y238-E270 PolarHBondContact OH-OE2 2.98Å; H265-E270 WeakPolarHBondContact CA-OE2 3.44Å; H265-E270 IonicContact CE1-OE1 3.52Å; H265-E270 IonicContact CG-OE2 3.35Å; H265-E270 IonicContact ND1-OE1 2.73Å; H265-E270 PolarHBondContact ND1-OE1 3Å; H265-E270 IonicContact ND1-OE2 2.76Å; H265-E270 PolarHBondContact ND1-OE2 3.41Å; H265-E270 VanDerWaalsContact ND1-OE2 3.16Å; G266-E270 PolarHBondContact N-OE2 3.33Å; G267-E270 PolarHBondContact O-N 3.29Å; G267-E270 VanDerWaalsContact O-N 3.12Å; E270-A272 PolarHBondContact O-N 3.4Å; E270-Q273 PolarHBondContact O-N 2.82Å; E270-H274 PolarHBondContact O-N 2.65Å; E270-H274 VanDerWaalsContact O-N 3.07Å; E270-H274 PolarHBondContact O-ND1 2.76Å
271L98.2Very high96.1Very high0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-60.4-45.1179.2-62.5177.1000111.8L229 L234 F237 Y238 L249 G267 G268 V269 Q273 H274 G275 V276 F278L229-L271 HydrophobicContact CB-CD1 4.39Å; L229-L271 HydrophobicContact CD1-CD1 4.1Å; L229-L271 HydrophobicContact CD1-CD2 3.95Å; L229-L271 HydrophobicContact CG-CD1 3.81Å; L229-L271 HydrophobicContact CG-CD2 4.42Å; L234-L271 HydrophobicContact CD2-CD2 3.8Å; F237-L271 HydrophobicContact CD1-CD2 4.4Å; F237-L271 HydrophobicContact CE1-CD2 3.91Å; Y238-L271 HydrophobicContact CE1-CD2 4.01Å; L249-L271 HydrophobicContact CD1-CD1 3.91Å; G267-L271 WeakPolarHBondContact O-CG 3.29Å; G267-L271 PolarHBondContact O-N 2.58Å; G268-L271 PolarHBondContact O-N 3.19Å; V269-L271 VanDerWaalsContact C-N 3.34Å; V269-L271 PolarHBondContact O-N 3.36Å; L271-Q273 VanDerWaalsContact C-N 3.35Å; L271-Q273 PolarHBondContact O-N 2.87Å; L271-H274 PolarHBondContact O-N 3.45Å; L271-G275 PolarHBondContact O-N 2.85Å; L271-V276 HydrophobicContact CB-CB 4.15Å; L271-V276 HydrophobicContact CB-CG2 3.97Å; L271-V276 VanDerWaalsContact O-CB 3.31Å; L271-V276 WeakPolarHBondContact O-CB 3.37Å; L271-V276 VanDerWaalsContact O-CG2 3.31Å; L271-V276 WeakPolarHBondContact O-CG2 3.48Å; L271-V276 PolarHBondContact O-N 3.22Å; L271-F278 HydrophobicContact CB-CE2 4.39Å; L271-F278 HydrophobicContact CB-CZ 4.32Å
272A97.4Very high96Very high34 Ų3446.8 Ų46.828%0.28125%0.246SC..Hα-helixtrans-63.8-39.2177.100000112.3P260 G268 V269 E270 H274 G275 F278P260-A272 HydrophobicContact CB-CB 3.71Å; P260-A272 HydrophobicContact CG-CB 4.17Å; G268-A272 WeakPolarHBondContact O-CB 3.48Å; G268-A272 PolarHBondContact O-N 2.99Å; V269-A272 PolarHBondContact O-N 3.42Å; E270-A272 PolarHBondContact O-N 3.4Å; A272-H274 VanDerWaalsContact C-N 3.28Å; A272-H274 PolarHBondContact O-N 2.99Å; A272-G275 PolarHBondContact O-N 3.44Å; A272-F278 HydrophobicContact CB-CD2 4.28Å; A272-F278 HydrophobicContact CB-CE2 3.8Å
273Q97.2Very high96Very high144 Ų14442.8 Ų42.867%0.67323%0.233SC*.Hα-helixtrans-63.4-32.7175.8-72.6170.7-0.300112.6V269 E270 L271 G275V269-Q273 VanDerWaalsContact O-CG 3.29Å; V269-Q273 WeakPolarHBondContact O-CG 3.44Å; V269-Q273 PolarHBondContact O-N 3.28Å; E270-Q273 PolarHBondContact O-N 2.82Å; L271-Q273 VanDerWaalsContact C-N 3.35Å; L271-Q273 PolarHBondContact O-N 2.87Å; Q273-G275 PolarHBondContact O-N 2.87Å
274H97.1Very high96Very high88 Ų8836.9 Ų36.941%0.40720%0.202SC..THydrogen-bonded Turntrans-80.5-0.7173.9-69.981.5000113.5Y238 L241 E270 L271 A272Y238-H274 HydrophobicContact CD1-CB 4.26Å; Y238-H274 HydrophobicContact CE1-CB 4.08Å; Y238-H274 AromaticContact CE1-CG 3.87Å; L241-H274 HydrophobicContact CD1-CB 3.83Å; E270-H274 PolarHBondContact O-N 2.65Å; E270-H274 VanDerWaalsContact O-N 3.07Å; E270-H274 PolarHBondContact O-ND1 2.76Å; L271-H274 PolarHBondContact O-N 3.45Å; A272-H274 VanDerWaalsContact C-N 3.28Å; A272-H274 PolarHBondContact O-N 2.99Å
275G97Very high96.1Very high42 Ų4233.5 Ų33.543%0.43319%0.19SC..THydrogen-bonded Turntrans96.713.1173.200000115.5L271 A272 Q273L271-G275 PolarHBondContact O-N 2.85Å; A272-G275 PolarHBondContact O-N 3.44Å; Q273-G275 PolarHBondContact O-N 2.87Å
276V98.3Very high96.1Very high5 Ų528.5 Ų28.53%0.0317%0.167CC..  trans-62.7135.3168.8178.90000109.8F237 L241 L249 L271 F278F237-V276 HydrophobicContact CE1-CG2 3.55Å; F237-V276 HydrophobicContact CZ-CG2 3.65Å; L241-V276 HydrophobicContact CD1-CG2 3.71Å; L241-V276 HydrophobicContact CD2-CG2 4.22Å; L249-V276 HydrophobicContact CB-CG1 3.54Å; L249-V276 HydrophobicContact CD1-CG1 4.15Å; L249-V276 HydrophobicContact CG-CG1 4.5Å; L271-V276 HydrophobicContact CB-CB 4.15Å; L271-V276 HydrophobicContact CB-CG2 3.97Å; L271-V276 VanDerWaalsContact O-CB 3.31Å; L271-V276 WeakPolarHBondContact O-CB 3.37Å; L271-V276 VanDerWaalsContact O-CG2 3.31Å; L271-V276 WeakPolarHBondContact O-CG2 3.48Å; L271-V276 PolarHBondContact O-N 3.22Å; V276-F278 HydrophobicContact CB-CE2 4.36Å; V276-F278 HydrophobicContact CG1-CD2 4.46Å; V276-F278 HydrophobicContact CG1-CE2 4.18Å
277I98.2Very high96.1Very high13 Ų1328.5 Ų28.57%0.06717%0.167CC..EExtended strand (participates in β ladder)trans-96.3114.7-178.7-56.4169.6000108.9I247 V248 L249 C279 L304 K305 M308 E309I247-I277 PolarHBondContact O-N 2.67Å; V248-I277 CarbonylContact C-O 3.41Å; V248-I277 WeakPolarHBondContact CA-O 3.28Å; V248-I277 HydrophobicContact CG2-CB 4.41Å; L249-I277 PolarHBondContact N-O 3.4Å; I277-C279 PolarHBondContact O-N 3.19Å; I277-L304 HydrophobicContact CD1-CD2 3.53Å; I277-K305 HydrophobicContact CD1-CB 4.38Å; I277-K305 HydrophobicContact CG1-CG 4.35Å; I277-K305 HydrophobicContact CG2-CG 4.41Å; I277-M308 HydrophobicContact CG2-CB 3.63Å; I277-M308 HydrophobicContact CG2-CG 4.46Å; I277-E309 HydrophobicContact CG2-CG 4.14Å
278F97.7Very high96.1Very high13 Ų1331.6 Ų31.66%0.05718%0.178CC..EExtended strand (participates in β ladder)trans-82.9113.3177.2-75.1-109.8000109L249 A258 P260 G268 L271 A272 V276L249-F278 HydrophobicContact CD1-CE1 4.42Å; L249-F278 HydrophobicContact CD1-CZ 4.32Å; L249-F278 HydrophobicContact CD2-CD1 3.79Å; L249-F278 HydrophobicContact CD2-CE1 3.71Å; L249-F278 HydrophobicContact CD2-CZ 4.37Å; A258-F278 HydrophobicContact CB-CD1 4.06Å; P260-F278 HydrophobicContact CB-CE1 4.44Å; P260-F278 HydrophobicContact CB-CE2 4.23Å; P260-F278 HydrophobicContact CB-CZ 4.11Å; G268-F278 WeakPolarHBondContact O-CZ 3.48Å; L271-F278 HydrophobicContact CB-CE2 4.39Å; L271-F278 HydrophobicContact CB-CZ 4.32Å; A272-F278 HydrophobicContact CB-CD2 4.28Å; A272-F278 HydrophobicContact CB-CE2 3.8Å; V276-F278 HydrophobicContact CB-CE2 4.36Å; V276-F278 HydrophobicContact CG1-CD2 4.46Å; V276-F278 HydrophobicContact CG1-CE2 4.18Å
279C95.7Very high96.2Very high3 Ų331.6 Ų31.62%0.0218%0.178CC..  trans-93127-179.7-175.50000110.6V248 L249 V250 I277 I282 M308V248-C279 HydrophobicContact CG1-CB 3.45Å; V248-C279 VanDerWaalsContact CG1-CB 3.45Å; L249-C279 PolarHBondContact O-N 3.21Å; V250-C279 HydrophobicContact CG1-CB 3.96Å; I277-C279 PolarHBondContact O-N 3.19Å; C279-I282 VanDerWaalsContact SG-CD1 3.57Å; C279-I282 VanDerWaalsContact SG-CG1 3.58Å; C279-M308 HydrophobicContact CB-CE 4.31Å; C279-M308 PolarHBondContact SG-O 2.88Å
280N86.5Confident96.2Very high57 Ų5730.4 Ų30.431%0.30517%0.171SC..  trans-94.7140.8-170.8-65.4-31000112.1I257 I282 E309I257-N280 HydrophobicContact CG2-CB 4.08Å; I257-N280 WeakPolarHBondContact CG2-OD1 3.44Å; N280-I282 VanDerWaalsContact C-N 3.27Å; N280-I282 PolarHBondContact O-N 3.01Å; N280-I282 VanDerWaalsContact O-N 3.13Å; N280-E309 PolarHBondContact ND2-O 3.17Å
281G83.4Confident96.2Very high37 Ų3729 Ų2938%0.38116%0.164SC..SBendtrans71.95.7162.500000117.3
282I93.9Very high96.2Very high21 Ų2129.1 Ų29.111%0.10817%0.165CC..  trans-134.1157.2177.264.9178000112.2Y82 R143 C279 N280 K286 A287 K290Y82-I282 HydrophobicContact CE1-CD1 4.34Å; Y82-I282 HydrophobicContact CE2-CG2 4.47Å; Y82-I282 WeakPolarHBondContact OH-CD1 3.31Å; R143-I282 HydrophobicContact CG-CG2 4.37Å; C279-I282 VanDerWaalsContact SG-CD1 3.57Å; C279-I282 VanDerWaalsContact SG-CG1 3.58Å; N280-I282 VanDerWaalsContact C-N 3.27Å; N280-I282 PolarHBondContact O-N 3.01Å; N280-I282 VanDerWaalsContact O-N 3.13Å; I282-K286 HydrophobicContact CB-CB 3.97Å; I282-K286 HydrophobicContact CB-CD 4.32Å; I282-K286 HydrophobicContact CD1-CB 4.04Å; I282-K286 HydrophobicContact CG1-CB 4.38Å; I282-K286 HydrophobicContact CG2-CD 4.28Å; I282-A287 HydrophobicContact CD1-CB 4.14Å; I282-A287 HydrophobicContact CG1-CB 4.3Å; I282-K290 HydrophobicContact CD1-CB 4.43Å; I282-K290 HydrophobicContact CD1-CD 3.88Å
283N95.6Very high96.2Very high35 Ų3527.5 Ų27.519%0.18715%0.152CC..  trans-83.7175.2175.959.225.1000111.9E78 T146 Q285 K286 A287E78-N283 PolarHBondContact OE2-ND2 2.77Å; T146-N283 PolarHBondContact OG1-ND2 3.31Å; N283-Q285 VanDerWaalsContact CG-NE2 3.32Å; N283-Q285 PolarHBondContact ND2-NE2 3.45Å; N283-Q285 PolarHBondContact O-N 2.89Å; N283-Q285 WeakPolarHBondContact OD1-CG 3.34Å; N283-Q285 PolarHBondContact OD1-OE1 3.38Å; N283-K286 PolarHBondContact O-N 2.85Å; N283-K286 WeakPolarHBondContact OD1-CB 3.38Å; N283-K286 WeakPolarHBondContact OD1-CG 3.25Å; N283-K286 PolarHBondContact OD1-N 3.13Å; N283-A287 WeakPolarHBondContact O-CB 3.39Å; N283-A287 PolarHBondContact O-N 3.4Å
284S97.4Very high96.3Very high5 Ų520.7 Ų20.74%0.03512%0.119CC..Hα-helixtrans-65.9-39.2-171.261.50000114.1E222 K286 A287 R288E222-S284 VanDerWaalsContact CG-CB 3.47Å; E222-S284 VanDerWaalsContact OE1-CB 3.25Å; E222-S284 WeakPolarHBondContact OE1-CB 3.41Å; E222-S284 PolarHBondContact OE1-OG 3.4Å; S284-K286 VanDerWaalsContact C-N 3.3Å; S284-K286 PolarHBondContact O-N 2.97Å; S284-A287 PolarHBondContact O-N 3.46Å; S284-R288 WeakPolarHBondContact O-CB 3.41Å; S284-R288 PolarHBondContact O-N 3.4Å
285Q97.4Very high96.3Very high39 Ų3918.7 Ų18.718%0.18211%0.112CC..Hα-helixtrans-62.7-38.8177.962-86.734.100111.5E78 E79 N283 L289E78-Q285 PolarHBondContact OE1-NE2 3Å; E79-Q285 HydrophobicContact CG-CB 3.79Å; E79-Q285 HydrophobicContact CG-CG 3.73Å; N283-Q285 VanDerWaalsContact CG-NE2 3.32Å; N283-Q285 PolarHBondContact ND2-NE2 3.45Å; N283-Q285 PolarHBondContact O-N 2.89Å; N283-Q285 WeakPolarHBondContact OD1-CG 3.34Å; N283-Q285 PolarHBondContact OD1-OE1 3.38Å; Q285-L289 PolarHBondContact O-N 3.34Å
286K97.7Very high96.3Very high3 Ų317.4 Ų17.41%0.01310%0.095CC..Hα-helixtrans-72.2-44.1171.6-70.9-169.7-176.180.70112.5E78 Y82 A142 R143 V145 I282 N283 S284 R288 L289 K290E78-K286 IonicContact OE2-NZ 3.06Å; E78-K286 PolarHBondContact OE2-NZ 3.04Å; Y82-K286 HydrophobicContact CD1-CB 3.54Å; Y82-K286 HydrophobicContact CD1-CD 4.09Å; Y82-K286 HydrophobicContact CD1-CG 3.66Å; Y82-K286 HydrophobicContact CD2-CD 3.73Å; Y82-K286 HydrophobicContact CD2-CG 4.24Å; Y82-K286 HydrophobicContact CE1-CB 3.71Å; Y82-K286 HydrophobicContact CE1-CG 4.3Å; Y82-K286 WeakPolarHBondContact CE1-O 3.4Å; Y82-K286 HydrophobicContact CE2-CD 4.27Å; Y82-K286 HydrophobicContact CG-CB 3.97Å; Y82-K286 HydrophobicContact CG-CD 3.6Å; Y82-K286 HydrophobicContact CG-CG 3.62Å; A142-K286 WeakPolarHBondContact O-CE 3.49Å; R143-K286 WeakPolarHBondContact O-CD 3.33Å; R143-K286 WeakPolarHBondContact O-CE 3.47Å; V145-K286 WeakPolarHBondContact O-CE 3.45Å; V145-K286 PolarHBondContact O-NZ 2.85Å; I282-K286 HydrophobicContact CB-CB 3.97Å; I282-K286 HydrophobicContact CB-CD 4.32Å; I282-K286 HydrophobicContact CD1-CB 4.04Å; I282-K286 HydrophobicContact CG1-CB 4.38Å; I282-K286 HydrophobicContact CG2-CD 4.28Å; N283-K286 PolarHBondContact O-N 2.85Å; N283-K286 WeakPolarHBondContact OD1-CB 3.38Å; N283-K286 WeakPolarHBondContact OD1-CG 3.25Å; N283-K286 PolarHBondContact OD1-N 3.13Å; S284-K286 VanDerWaalsContact C-N 3.3Å; S284-K286 PolarHBondContact O-N 2.97Å; K286-R288 PolarHBondContact O-N 3.24Å; K286-L289 PolarHBondContact O-N 3.13Å; K286-L289 VanDerWaalsContact O-N 3.1Å; K286-K290 PolarHBondContact O-N 3.44Å
287A97.9Very high96.3Very high0 Ų018.7 Ų18.70%011%0.106CC..Hα-helixtrans-58.7-36.2177.300000112V220 V248 V250 I282 N283 S284 K290 L291V220-A287 HydrophobicContact CG1-CB 4.14Å; V220-A287 HydrophobicContact CG2-CB 4.33Å; V248-A287 HydrophobicContact CG1-CB 4.24Å; V250-A287 HydrophobicContact CG1-CB 3.77Å; I282-A287 HydrophobicContact CD1-CB 4.14Å; I282-A287 HydrophobicContact CG1-CB 4.3Å; N283-A287 WeakPolarHBondContact O-CB 3.39Å; N283-A287 PolarHBondContact O-N 3.4Å; S284-A287 PolarHBondContact O-N 3.46Å; A287-K290 PolarHBondContact O-N 2.96Å; A287-L291 WeakPolarHBondContact O-CB 3.31Å; A287-L291 PolarHBondContact O-N 2.94Å
288R98.5Very high96.2Very high65 Ų6526.6 Ų26.625%0.24514%0.14CC..Hα-helixtrans-60.4-48.1173.3173.9-178.4168.3-89.1-8111.7I193 I195 V220 S284 K286 K290 L291 L292I193-R288 HydrophobicContact CB-CG 4.15Å; I193-R288 HydrophobicContact CG2-CB 4.46Å; I193-R288 HydrophobicContact CG2-CG 3.96Å; I193-R288 WeakPolarHBondContact O-CD 3.49Å; I193-R288 PolarHBondContact O-NE 2.97Å; I193-R288 VanDerWaalsContact O-NE 3.16Å; I195-R288 HydrophobicContact CD1-CB 3.99Å; I195-R288 HydrophobicContact CD1-CG 4.49Å; I195-R288 HydrophobicContact CG1-CB 4.12Å; V220-R288 HydrophobicContact CG2-CB 4.11Å; S284-R288 WeakPolarHBondContact O-CB 3.41Å; S284-R288 PolarHBondContact O-N 3.4Å; K286-R288 PolarHBondContact O-N 3.24Å; R288-K290 VanDerWaalsContact C-N 3.34Å; R288-L291 PolarHBondContact O-N 3.08Å; R288-L292 WeakPolarHBondContact O-CB 3.35Å; R288-L292 PolarHBondContact O-N 3.49Å
289L98.4Very high96.1Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-65-38.5176.8-67.4172.9000112.1V47 M50 E79 Y82 F83 Q285 K286 L292 I293V47-L289 HydrophobicContact CG2-CD2 4.15Å; M50-L289 HydrophobicContact SD-CD2 4.28Å; E79-L289 HydrophobicContact CB-CD1 3.86Å; E79-L289 HydrophobicContact CG-CD1 4.41Å; E79-L289 WeakPolarHBondContact O-CD1 3.43Å; Y82-L289 HydrophobicContact CD1-CB 4.17Å; Y82-L289 HydrophobicContact CD1-CD1 4.31Å; Y82-L289 HydrophobicContact CE1-CB 4.49Å; F83-L289 HydrophobicContact CB-CD1 4.18Å; F83-L289 HydrophobicContact CD2-CD2 4.34Å; Q285-L289 PolarHBondContact O-N 3.34Å; K286-L289 PolarHBondContact O-N 3.13Å; K286-L289 VanDerWaalsContact O-N 3.1Å; L289-L292 WeakPolarHBondContact O-CB 3.14Å; L289-L292 PolarHBondContact O-N 2.98Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 3.48Å
290K98.1Very high96.2Very high5 Ų529.4 Ų29.42%0.02216%0.159CC..Hα-helixtrans-61.2-47.3176-158.5-177.4-169.5-171.90111.3Y82 I86 I282 K286 A287 R288 I293 A294 F307 M308 E310Y82-K290 HydrophobicContact CE1-CB 4.09Å; Y82-K290 WeakPolarHBondContact OH-CD 3.27Å; I86-K290 HydrophobicContact CD1-CB 4.14Å; I86-K290 HydrophobicContact CD1-CG 4.16Å; I282-K290 HydrophobicContact CD1-CB 4.43Å; I282-K290 HydrophobicContact CD1-CD 3.88Å; K286-K290 PolarHBondContact O-N 3.44Å; A287-K290 PolarHBondContact O-N 2.96Å; R288-K290 VanDerWaalsContact C-N 3.34Å; K290-I293 PolarHBondContact O-N 3.41Å; K290-A294 PolarHBondContact O-N 2.81Å; K290-F307 HydrophobicContact CD-CE1 4.49Å; K290-F307 WeakPolarHBondContact CE-O 3.14Å; K290-F307 HydrophobicContact CG-CD1 4.11Å; K290-F307 HydrophobicContact CG-CE1 3.5Å; K290-F307 HydrophobicContact CG-CZ 3.79Å; K290-F307 PolarHBondContact NZ-O 2.57Å; K290-F307 WeakPolarHBondContact O-CE1 3.3Å; K290-M308 HydrophobicContact CB-CE 3.94Å; K290-M308 HydrophobicContact CB-SD 3.87Å; K290-M308 HydrophobicContact CD-CE 3.93Å; K290-M308 HydrophobicContact CD-SD 3.83Å; K290-M308 HydrophobicContact CG-CE 4.16Å; K290-M308 HydrophobicContact CG-SD 3.67Å; K290-M308 PolarHBondContact NZ-O 3.04Å; K290-E310 PolarHBondContact NZ-OXT 3.09Å
291L98.3Very high96.6Very high0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-65-39.6176.8-177.358.2000111.7I193 P246 V248 A287 R288 I293 A294 L295 L304 M308I193-L291 HydrophobicContact CD1-CB 4.01Å; I193-L291 HydrophobicContact CD1-CD2 4.23Å; I193-L291 HydrophobicContact CD1-CG 3.84Å; I193-L291 HydrophobicContact CG1-CD2 4.33Å; I193-L291 HydrophobicContact CG1-CG 4.43Å; I193-L291 HydrophobicContact CG2-CD2 3.91Å; P246-L291 HydrophobicContact CB-CD1 4.24Å; P246-L291 HydrophobicContact CG-CD1 4.35Å; V248-L291 HydrophobicContact CG2-CB 4.47Å; V248-L291 HydrophobicContact CG2-CD1 4.19Å; V248-L291 HydrophobicContact CG2-CD2 3.9Å; V248-L291 HydrophobicContact CG2-CG 4.43Å; A287-L291 WeakPolarHBondContact O-CB 3.31Å; A287-L291 PolarHBondContact O-N 2.94Å; R288-L291 PolarHBondContact O-N 3.08Å; L291-I293 VanDerWaalsContact C-N 3.31Å; L291-I293 PolarHBondContact O-N 3.45Å; L291-A294 PolarHBondContact O-N 2.85Å; L291-L295 HydrophobicContact CD1-CD1 4.38Å; L291-L295 HydrophobicContact CD1-CG 4.25Å; L291-L295 HydrophobicContact CG-CD1 4.23Å; L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 2.7Å; L291-L304 HydrophobicContact CD1-CD1 4.01Å; L291-L304 HydrophobicContact CD1-CD2 4.1Å; L291-L304 HydrophobicContact CD1-CG 4.33Å; L291-M308 HydrophobicContact CB-CE 4.2Å; L291-M308 HydrophobicContact CB-SD 4.13Å; L291-M308 HydrophobicContact CD1-SD 4.47Å
292L98.4Very high97.2Very high3 Ų339.2 Ų39.22%0.01619%0.19CC..Hα-helixtrans-57.1-46.8174.6-177.2145.5000111.3V47 I186 F189 I193 R288 L289 L295 N296V47-L292 HydrophobicContact CG1-CD1 3.98Å; V47-L292 HydrophobicContact CG1-CD2 4.12Å; V47-L292 HydrophobicContact CG2-CD1 4.04Å; I186-L292 HydrophobicContact CD1-CD2 3.92Å; F189-L292 HydrophobicContact CB-CD2 4.02Å; I193-L292 VanDerWaalsContact CD1-CA 3.41Å; I193-L292 HydrophobicContact CD1-CB 3.72Å; R288-L292 WeakPolarHBondContact O-CB 3.35Å; R288-L292 PolarHBondContact O-N 3.49Å; L289-L292 WeakPolarHBondContact O-CB 3.14Å; L289-L292 PolarHBondContact O-N 2.98Å; L292-L295 PolarHBondContact O-N 3.12Å; L292-N296 WeakPolarHBondContact O-CB 3.44Å; L292-N296 PolarHBondContact O-N 3.3Å; L292-N296 PolarHBondContact O-ND2 3.07Å
293I98.2Very high97.4Very high0 Ų041.7 Ų41.70%020%0.201CC..Hα-helixtrans-65.6-42.5178.5-76.5161.4000111F83 I86 T87 Y184 I186 L289 K290 L291 L295 N296 A297 F307F83-I293 HydrophobicContact CD2-CD1 4.02Å; F83-I293 HydrophobicContact CE2-CD1 4.26Å; F83-I293 HydrophobicContact CE2-CG1 4.49Å; I86-I293 HydrophobicContact CB-CD1 4.49Å; I86-I293 HydrophobicContact CD1-CB 4.41Å; I86-I293 HydrophobicContact CD1-CD1 3.26Å; I86-I293 HydrophobicContact CD1-CG1 4.38Å; I86-I293 HydrophobicContact CG1-CD1 3.47Å; I86-I293 VanDerWaalsContact CG1-CD1 3.47Å; T87-I293 HydrophobicContact CG2-CD1 3.64Å; T87-I293 HydrophobicContact CG2-CG1 4.19Å; Y184-I293 HydrophobicContact CD2-CG2 4.28Å; I186-I293 HydrophobicContact CD1-CG1 3.64Å; I186-I293 HydrophobicContact CG1-CG1 4.35Å; I186-I293 HydrophobicContact CG2-CG2 4.12Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 3.48Å; K290-I293 PolarHBondContact O-N 3.41Å; L291-I293 VanDerWaalsContact C-N 3.31Å; L291-I293 PolarHBondContact O-N 3.45Å; I293-L295 PolarHBondContact O-N 2.89Å; I293-N296 PolarHBondContact O-N 3.02Å; I293-A297 WeakPolarHBondContact O-CB 3.19Å; I293-A297 PolarHBondContact O-N 2.83Å; I293-F307 HydrophobicContact CG2-CE1 4.26Å; I293-F307 HydrophobicContact CG2-CZ 4.33Å
294A97.9Very high97.5Very high0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-59.2-44.4177.500000112.7K290 L291 K298 L299 L304 F307K290-A294 PolarHBondContact O-N 2.81Å; L291-A294 PolarHBondContact O-N 2.85Å; A294-K298 PolarHBondContact O-N 3.49Å; A294-L299 HydrophobicContact CB-CD1 4.05Å; A294-L299 WeakPolarHBondContact O-CG 3.32Å; A294-L299 PolarHBondContact O-N 3.01Å; A294-L304 HydrophobicContact CB-CD1 4.02Å; A294-L304 HydrophobicContact CB-CG 3.84Å; A294-F307 HydrophobicContact CB-CD1 3.8Å; A294-F307 HydrophobicContact CB-CE1 4.19Å
295L97.6Very high97.5Very high47 Ų4745 Ų4525%0.24621%0.214CC..Hα-helixtrans-68.3-42.9179.4-69.6175.3000111.9A191 I193 D217 P246 L291 L292 I293 K298 L304A191-L295 HydrophobicContact CB-CB 4.34Å; A191-L295 HydrophobicContact CB-CD1 3.99Å; I193-L295 HydrophobicContact CD1-CD1 4.1Å; I193-L295 HydrophobicContact CG1-CD1 4.35Å; D217-L295 HydrophobicContact CB-CD1 3.97Å; D217-L295 WeakPolarHBondContact O-CD1 3.2Å; P246-L295 HydrophobicContact CG-CD2 4.19Å; L291-L295 HydrophobicContact CD1-CD1 4.38Å; L291-L295 HydrophobicContact CD1-CG 4.25Å; L291-L295 HydrophobicContact CG-CD1 4.23Å; L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 2.7Å; L292-L295 PolarHBondContact O-N 3.12Å; I293-L295 PolarHBondContact O-N 2.89Å; L295-K298 PolarHBondContact O-N 2.87Å; L295-K298 VanDerWaalsContact O-N 3.09Å; L295-L304 HydrophobicContact CD2-CD1 3.75Å; L295-L304 HydrophobicContact CG-CD1 4.31Å
296N97.6Very high97.4Very high15 Ų1549 Ų498%0.0823%0.228CC..Hα-helixtrans-75.1-26179.7-76-85.6000112.8I186 S188 F189 D190 L292 I293 K298I186-N296 HydrophobicContact CB-CB 4.18Å; I186-N296 HydrophobicContact CD1-CB 4.33Å; I186-N296 HydrophobicContact CG2-CB 3.98Å; S188-N296 VanDerWaalsContact O-CB 3.25Å; S188-N296 WeakPolarHBondContact O-CB 3.4Å; S188-N296 PolarHBondContact O-OD1 2.81Å; S188-N296 PolarHBondContact OG-OD1 3.2Å; F189-N296 WeakPolarHBondContact CA-OD1 3.25Å; F189-N296 PolarHBondContact N-OD1 3.25Å; D190-N296 PolarHBondContact N-OD1 3.3Å; D190-N296 VanDerWaalsContact N-OD1 3.12Å; L292-N296 WeakPolarHBondContact O-CB 3.44Å; L292-N296 PolarHBondContact O-N 3.3Å; L292-N296 PolarHBondContact O-ND2 3.07Å; I293-N296 PolarHBondContact O-N 3.02Å; N296-K298 PolarHBondContact O-N 3.34Å
297A97.5Very high97.4Very high32 Ų3249 Ų4926%0.26423%0.228SC..THydrogen-bonded Turntrans-73.2-3.7168.200000113.3Y184 I186 I293 L299Y184-A297 HydrophobicContact CD1-CB 3.99Å; Y184-A297 HydrophobicContact CG-CB 3.86Å; I186-A297 HydrophobicContact CG2-CB 4.07Å; I293-A297 WeakPolarHBondContact O-CB 3.19Å; I293-A297 PolarHBondContact O-N 2.83Å; A297-L299 HydrophobicContact CB-CD2 4.06Å; A297-L299 HydrophobicContact CB-CG 4.06Å; A297-L299 PolarHBondContact O-N 3.05Å
298K95.7Very high97.3Very high178 Ų17849 Ų4977%0.77423%0.228SC*.THydrogen-bonded Turntrans54.438.8179-57.8177-175.1169.10113A294 L295 N296A294-K298 PolarHBondContact O-N 3.49Å; L295-K298 PolarHBondContact O-N 2.87Å; L295-K298 VanDerWaalsContact O-N 3.09Å; N296-K298 PolarHBondContact O-N 3.34Å
299L97.2Very high97.1Very high27 Ų2749.4 Ų49.414%0.14123%0.232CC..  trans-61.6144.5176.4-59.1-172.7000110.6Y184 A294 A297 E303 L304 F307Y184-L299 HydrophobicContact CD1-CD2 4.2Å; Y184-L299 HydrophobicContact CD2-CD1 4.35Å; Y184-L299 HydrophobicContact CE1-CD2 3.57Å; Y184-L299 HydrophobicContact CE2-CD1 3.68Å; Y184-L299 HydrophobicContact CE2-CD2 4.26Å; A294-L299 HydrophobicContact CB-CD1 4.05Å; A294-L299 WeakPolarHBondContact O-CG 3.32Å; A294-L299 PolarHBondContact O-N 3.01Å; A297-L299 HydrophobicContact CB-CD2 4.06Å; A297-L299 HydrophobicContact CB-CG 4.06Å; A297-L299 PolarHBondContact O-N 3.05Å; L299-E303 HydrophobicContact CB-CB 3.85Å; L299-E303 HydrophobicContact CD1-CB 4.44Å; L299-E303 HydrophobicContact CD2-CB 4.43Å; L299-E303 HydrophobicContact CG-CB 4.45Å; L299-L304 HydrophobicContact CB-CB 4.21Å; L299-F307 HydrophobicContact CD1-CB 4.06Å; L299-F307 HydrophobicContact CD1-CD1 4.23Å; L299-F307 HydrophobicContact CD1-CG 4.32Å
300S96.7Very high96.7Very high48 Ų4855 Ų5534%0.33626%0.258SS..  trans-60.3163.7166.160.70000110.9E302 E303 L304S300-E302 PolarHBondContact O-N 3.29Å; S300-E303 WeakPolarHBondContact CB-OE2 3.43Å; S300-E303 PolarHBondContact N-OE2 3.19Å; S300-E303 PolarHBondContact O-N 3.12Å; S300-E303 VanDerWaalsContact O-N 3.15Å; S300-E303 WeakPolarHBondContact OG-CB 3.42Å; S300-E303 WeakPolarHBondContact OG-CG 3.29Å; S300-E303 PolarHBondContact OG-N 3.17Å; S300-E303 PolarHBondContact OG-OE2 3.27Å; S300-L304 WeakPolarHBondContact O-CB 3.43Å; S300-L304 PolarHBondContact O-N 2.88Å
301K95.2Very high96.6Very high168 Ų16857.5 Ų57.573%0.7327%0.27SS*.Hα-helixtrans-56.6-40179.8-174.7176.4-180176.10111.7K305K301-K305 WeakPolarHBondContact O-CB 3.1Å; K301-K305 PolarHBondContact O-N 3.44Å
302E96.5Very high96.5Very high132 Ų13260.5 Ų60.562%0.61728%0.284SS*.Hα-helixtrans-69.3-42.1178.6-65.368.9-151.900111.8S300 R306S300-E302 PolarHBondContact O-N 3.29Å; E302-R306 WeakPolarHBondContact O-CB 3.36Å; E302-R306 PolarHBondContact O-N 3.21Å
303E97.3Very high96.4Very high73 Ų7363.7 Ų63.734%0.34130%0.299SS..Hα-helixtrans-68.6-40.6176.9-72.6167.514100112.2L299 S300 R306 F307L299-E303 HydrophobicContact CB-CB 3.85Å; L299-E303 HydrophobicContact CD1-CB 4.44Å; L299-E303 HydrophobicContact CD2-CB 4.43Å; L299-E303 HydrophobicContact CG-CB 4.45Å; S300-E303 WeakPolarHBondContact CB-OE2 3.43Å; S300-E303 PolarHBondContact N-OE2 3.19Å; S300-E303 PolarHBondContact O-N 3.12Å; S300-E303 VanDerWaalsContact O-N 3.15Å; S300-E303 WeakPolarHBondContact OG-CB 3.42Å; S300-E303 WeakPolarHBondContact OG-CG 3.29Å; S300-E303 PolarHBondContact OG-N 3.17Å; S300-E303 PolarHBondContact OG-OE2 3.27Å; E303-R306 PolarHBondContact O-N 3.15Å; E303-F307 VanDerWaalsContact O-CB 3.25Å; E303-F307 WeakPolarHBondContact O-CB 3.37Å; E303-F307 PolarHBondContact O-N 2.84Å
304L97.6Very high96.3Very high13 Ų1367.5 Ų67.57%0.06832%0.317CS..Hα-helixtrans-60.5-50.6173.9-178154.8000109.9P246 I277 L291 A294 L295 L299 S300 R306 F307 M308P246-L304 HydrophobicContact CB-CD2 4.31Å; I277-L304 HydrophobicContact CD1-CD2 3.53Å; L291-L304 HydrophobicContact CD1-CD1 4.01Å; L291-L304 HydrophobicContact CD1-CD2 4.1Å; L291-L304 HydrophobicContact CD1-CG 4.33Å; A294-L304 HydrophobicContact CB-CD1 4.02Å; A294-L304 HydrophobicContact CB-CG 3.84Å; L295-L304 HydrophobicContact CD2-CD1 3.75Å; L295-L304 HydrophobicContact CG-CD1 4.31Å; L299-L304 HydrophobicContact CB-CB 4.21Å; S300-L304 WeakPolarHBondContact O-CB 3.43Å; S300-L304 PolarHBondContact O-N 2.88Å; L304-R306 PolarHBondContact O-N 3.18Å; L304-F307 PolarHBondContact O-N 2.9Å; L304-M308 HydrophobicContact CD2-CG 4.01Å; L304-M308 WeakPolarHBondContact O-CB 3.29Å; L304-M308 VanDerWaalsContact O-CG 3.23Å; L304-M308 WeakPolarHBondContact O-CG 3.37Å; L304-M308 PolarHBondContact O-N 3.14Å
305K97Very high96.2Very high96 Ų9671.7 Ų71.742%0.41734%0.337SS..Hα-helixtrans-56.1-51.6177.8179.5176.7176.3179.40111.1I277 K301 F307 M308 E309I277-K305 HydrophobicContact CD1-CB 4.38Å; I277-K305 HydrophobicContact CG1-CG 4.35Å; I277-K305 HydrophobicContact CG2-CG 4.41Å; K301-K305 WeakPolarHBondContact O-CB 3.1Å; K301-K305 PolarHBondContact O-N 3.44Å; K305-F307 PolarHBondContact O-N 3.04Å; K305-M308 PolarHBondContact O-N 3.22Å; K305-E309 WeakPolarHBondContact CE-OE1 3.38Å; K305-E309 HydrophobicContact CG-CG 4.44Å; K305-E309 IonicContact NZ-OE1 3.8Å; K305-E309 WeakPolarHBondContact O-CG 3.29Å; K305-E309 PolarHBondContact O-N 3.23Å
306R96.3Very high96.1Very high124 Ų12473.3 Ų73.347%0.46834%0.343SS..Hα-helixtrans-58-49.1178.4-178.6178.467.4-127.3-1.3111.5E302 E303 L304 M308 E309 E310E302-R306 WeakPolarHBondContact O-CB 3.36Å; E302-R306 PolarHBondContact O-N 3.21Å; E303-R306 PolarHBondContact O-N 3.15Å; L304-R306 PolarHBondContact O-N 3.18Å; R306-M308 VanDerWaalsContact C-N 3.28Å; R306-M308 PolarHBondContact O-N 2.85Å; R306-E309 PolarHBondContact O-N 3.39Å; R306-E310 HydrophobicContact CG-CG 4.4Å; R306-E310 VanDerWaalsContact CG-OE1 3.22Å; R306-E310 WeakPolarHBondContact CG-OE1 3.28Å; R306-E310 IonicContact NE-OE1 3.41Å; R306-E310 WeakPolarHBondContact O-CG 3.48Å; R306-E310 PolarHBondContact O-N 2.79Å; R306-E310 VanDerWaalsContact O-N 3.11Å
307F96.8Very high96Very high4 Ų477.5 Ų77.52%0.01836%0.362CS..Hα-helixtrans-58.8-41.2178.9176.9-121.9000111.4I86 T182 Y184 K290 I293 A294 L299 E303 L304 K305I86-F307 HydrophobicContact CD1-CZ 4.45Å; T182-F307 HydrophobicContact CG2-CD2 3.74Å; T182-F307 HydrophobicContact CG2-CE2 3.99Å; Y184-F307 HydrophobicContact CD2-CD2 4.3Å; Y184-F307 HydrophobicContact CD2-CE1 4.22Å; Y184-F307 HydrophobicContact CD2-CE2 4.01Å; Y184-F307 AromaticContact CD2-CZ 3.96Å; Y184-F307 HydrophobicContact CD2-CZ 3.96Å; Y184-F307 HydrophobicContact CE2-CB 4.46Å; Y184-F307 HydrophobicContact CE2-CD1 4.21Å; Y184-F307 AromaticContact CE2-CD2 3.69Å; Y184-F307 HydrophobicContact CE2-CD2 3.69Å; Y184-F307 HydrophobicContact CE2-CE1 4.35Å; Y184-F307 AromaticContact CE2-CE2 3.86Å; Y184-F307 HydrophobicContact CE2-CE2 3.86Å; Y184-F307 AromaticContact CE2-CG 3.87Å; Y184-F307 HydrophobicContact CE2-CG 3.87Å; Y184-F307 HydrophobicContact CE2-CZ 4.18Å; K290-F307 HydrophobicContact CD-CE1 4.49Å; K290-F307 WeakPolarHBondContact CE-O 3.14Å; K290-F307 HydrophobicContact CG-CD1 4.11Å; K290-F307 HydrophobicContact CG-CE1 3.5Å; K290-F307 HydrophobicContact CG-CZ 3.79Å; K290-F307 PolarHBondContact NZ-O 2.57Å; K290-F307 WeakPolarHBondContact O-CE1 3.3Å; I293-F307 HydrophobicContact CG2-CE1 4.26Å; I293-F307 HydrophobicContact CG2-CZ 4.33Å; A294-F307 HydrophobicContact CB-CD1 3.8Å; A294-F307 HydrophobicContact CB-CE1 4.19Å; L299-F307 HydrophobicContact CD1-CB 4.06Å; L299-F307 HydrophobicContact CD1-CD1 4.23Å; L299-F307 HydrophobicContact CD1-CG 4.32Å; E303-F307 VanDerWaalsContact O-CB 3.25Å; E303-F307 WeakPolarHBondContact O-CB 3.37Å; E303-F307 PolarHBondContact O-N 2.84Å; L304-F307 PolarHBondContact O-N 2.9Å; K305-F307 PolarHBondContact O-N 3.04Å
308M96.9Very high95.9Very high0 Ų081 Ų810%037%0.369CS..Hα-helixtrans-68.9-34.7179-69-54.5-57.100113.3V248 I277 C279 K290 L291 L304 K305 R306V248-M308 HydrophobicContact CB-CE 4.2Å; V248-M308 HydrophobicContact CG1-CE 3.65Å; V248-M308 HydrophobicContact CG2-CE 3.56Å; V248-M308 HydrophobicContact CG2-CG 4.22Å; V248-M308 HydrophobicContact CG2-SD 4.45Å; I277-M308 HydrophobicContact CG2-CB 3.63Å; I277-M308 HydrophobicContact CG2-CG 4.46Å; C279-M308 HydrophobicContact CB-CE 4.31Å; C279-M308 PolarHBondContact SG-O 2.88Å; K290-M308 HydrophobicContact CB-CE 3.94Å; K290-M308 HydrophobicContact CB-SD 3.87Å; K290-M308 HydrophobicContact CD-CE 3.93Å; K290-M308 HydrophobicContact CD-SD 3.83Å; K290-M308 HydrophobicContact CG-CE 4.16Å; K290-M308 HydrophobicContact CG-SD 3.67Å; K290-M308 PolarHBondContact NZ-O 3.04Å; L291-M308 HydrophobicContact CB-CE 4.2Å; L291-M308 HydrophobicContact CB-SD 4.13Å; L291-M308 HydrophobicContact CD1-SD 4.47Å; L304-M308 HydrophobicContact CD2-CG 4.01Å; L304-M308 WeakPolarHBondContact O-CB 3.29Å; L304-M308 VanDerWaalsContact O-CG 3.23Å; L304-M308 WeakPolarHBondContact O-CG 3.37Å; L304-M308 PolarHBondContact O-N 3.14Å; K305-M308 PolarHBondContact O-N 3.22Å; R306-M308 VanDerWaalsContact C-N 3.28Å; R306-M308 PolarHBondContact O-N 2.85Å
309E94.7Very high95.9Very high73 Ų7372.9 Ų72.934%0.34134%0.335SS..Hα-helixtrans-77.6-25.6-179.2-71.8174.816200114.3I277 N280 K305 R306I277-E309 HydrophobicContact CG2-CG 4.14Å; N280-E309 PolarHBondContact ND2-O 3.17Å; K305-E309 WeakPolarHBondContact CE-OE1 3.38Å; K305-E309 HydrophobicContact CG-CG 4.44Å; K305-E309 IonicContact NZ-OE1 3.8Å; K305-E309 WeakPolarHBondContact O-CG 3.29Å; K305-E309 PolarHBondContact O-N 3.23Å; R306-E309 PolarHBondContact O-N 3.39Å
310E89.2Confident95.8Very high117 Ų11777.1 Ų77.155%0.54735%0.353SS..  trans-70.20176.5-75.7172.8-173.700114.4T182 K290 R306T182-E310 PolarHBondContact OG1-OE2 3.24Å; K290-E310 PolarHBondContact NZ-OXT 3.09Å; R306-E310 HydrophobicContact CG-CG 4.4Å; R306-E310 VanDerWaalsContact CG-OE1 3.22Å; R306-E310 WeakPolarHBondContact CG-OE1 3.28Å; R306-E310 IonicContact NE-OE1 3.41Å; R306-E310 WeakPolarHBondContact O-CG 3.48Å; R306-E310 PolarHBondContact O-N 2.79Å; R306-E310 VanDerWaalsContact O-N 3.11Å

Retrieved 310 of 310 residues in 2023.7 ms (Link to these results)

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