A0A087XAR5_POEFO Loading...

Heterogeneous nuclear ribonucleoprotein U

AlphaFold DB , UniProt , Accession A0A087XAR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 815 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
1M43Very low74.5Confident226 Ų226110.2 Ų110.2100%1.11357%0.565SS**  0134.50-71.9-74.3-127.300109.2T3M1-T3 PolarHBondContact O-N 2.64Å
2S44.2Very low75.6Confident112 Ų112110.9 Ų110.978%0.78357%0.571SS**  trans-75.2119173.150.20000110.2I4S2-I4 PolarHBondContact O-N 2.7Å; S2-I4 VanDerWaalsContact O-N 3.1Å
3T60.8Low76.7Confident140 Ų140108.4 Ų108.486%0.85956%0.555SS**  trans-66.8106.3-176.844.90000111.4M1 N5M1-T3 PolarHBondContact O-N 2.64Å; T3-N5 PolarHBondContact O-N 2.67Å
4I76Confident77.6Confident62 Ų62100.6 Ų100.632%0.31852%0.516SS..  trans-70.6114178.3-63.2174.6000108.4S2 V6 L9 L40S2-I4 PolarHBondContact O-N 2.7Å; S2-I4 VanDerWaalsContact O-N 3.1Å; I4-V6 PolarHBondContact O-N 3.08Å; I4-L9 HydrophobicContact CG2-CD1 3.89Å; I4-L40 HydrophobicContact CB-CD1 4.44Å
5N80.6Confident78.5Confident88 Ų8897.6 Ų97.647%0.47150%0.497SS..  trans-79.888.7179.5-167.5-44.4000110.7T3 K7 K8T3-N5 PolarHBondContact O-N 2.67Å; N5-K7 PolarHBondContact O-N 3.43Å; N5-K7 VanDerWaalsContact O-N 3.12Å; N5-K8 HydrophobicContact CB-CD 4.46Å; N5-K8 PolarHBondContact O-N 3.35Å
6V83Confident79.3Confident3 Ų397 Ų972%0.01850%0.495CS..G310 helixtrans-50.2-38.3-175179.10000112.9I4 K8 L9 L14 M33 L36 L40I4-V6 PolarHBondContact O-N 3.08Å; V6-K8 PolarHBondContact O-N 2.88Å; V6-L9 PolarHBondContact O-N 3.45Å; V6-L14 HydrophobicContact CG1-CD2 3.8Å; V6-M33 HydrophobicContact CG1-CB 3.78Å; V6-M33 HydrophobicContact CG1-CG 3.96Å; V6-L36 HydrophobicContact CG1-CB 4.34Å; V6-L36 HydrophobicContact CG1-CD2 4.31Å; V6-L36 HydrophobicContact CG2-CD2 4.23Å; V6-L36 HydrophobicContact CG2-CG 4.21Å; V6-L40 HydrophobicContact CG2-CD1 3.59Å
7K83.1Confident79.8Confident174 Ų17493.2 Ų93.276%0.75748%0.475SS*.G310 helixtrans-64-24.1-178.9-62.5-175.5-179.8179.80113.6N5N5-K7 PolarHBondContact O-N 3.43Å; N5-K7 VanDerWaalsContact O-N 3.12Å
8K85.2Confident80.4Confident171 Ų17188.1 Ų88.174%0.74345%0.449SS*.G310 helixtrans-89-9.6-179.9-66.7-174.5177.9-177.50114N5 V6N5-K8 HydrophobicContact CB-CD 4.46Å; N5-K8 PolarHBondContact O-N 3.35Å; V6-K8 PolarHBondContact O-N 2.88Å
9L85Confident81Confident33 Ų3388.9 Ų88.917%0.17345%0.449CS..  trans-77.1147.8-178.5-63.6178.7000112.7I4 V6 E13 L14 K29 L36I4-L9 HydrophobicContact CG2-CD1 3.89Å; V6-L9 PolarHBondContact O-N 3.45Å; L9-E13 WeakPolarHBondContact CA-OE2 3.29Å; L9-E13 HydrophobicContact CB-CB 4.22Å; L9-E13 HydrophobicContact CD2-CB 4.17Å; L9-L14 HydrophobicContact CB-CD2 3.8Å; L9-L14 HydrophobicContact CB-CG 3.82Å; L9-L14 HydrophobicContact CD1-CD2 3.91Å; L9-L14 HydrophobicContact CG-CD2 4.46Å; L9-K29 WeakPolarHBondContact O-CE 3Å; L9-K29 PolarHBondContact O-NZ 2.8Å; L9-L36 HydrophobicContact CD1-CD2 4.09Å
10K90.1Very high81.4Confident145 Ų14591.9 Ų91.963%0.6346%0.459SS*.  trans-80.5160.2170.2-64.5175.3-173.3158.40110.5N12 E13 L14K10-N12 PolarHBondContact O-N 3.05Å; K10-N12 VanDerWaalsContact O-N 3.16Å; K10-E13 HydrophobicContact CB-CG 4.39Å; K10-E13 PolarHBondContact N-OE2 3.3Å; K10-E13 WeakPolarHBondContact O-CB 3.23Å; K10-E13 PolarHBondContact O-N 3.17Å; K10-L14 WeakPolarHBondContact O-CG 3.48Å; K10-L14 PolarHBondContact O-N 3.17Å
11V88.1Confident81.7Confident58 Ų5890.3 Ų90.335%0.35245%0.448SS..Hα-helixtrans-55.5-37.4-176.7-179.20000112.7K15 K29 L32V11-K15 HydrophobicContact CG1-CD 4.5Å; V11-K15 WeakPolarHBondContact O-CG 3.37Å; V11-K15 PolarHBondContact O-N 3.38Å; V11-K15 VanDerWaalsContact O-N 3.15Å; V11-K29 HydrophobicContact CG2-CB 4.08Å; V11-K29 HydrophobicContact CG2-CD 3.94Å; V11-K29 HydrophobicContact CG2-CG 3.89Å; V11-L32 HydrophobicContact CG1-CD1 4.24Å
12N88.3Confident83.8Confident119 Ų11987 Ų8764%0.63643%0.434SS*.Hα-helixtrans-69.1-44.2178.1-62.6-4.3000111.4K10 L14 K15 D16K10-N12 PolarHBondContact O-N 3.05Å; K10-N12 VanDerWaalsContact O-N 3.16Å; N12-L14 VanDerWaalsContact C-N 3.35Å; N12-L14 PolarHBondContact O-N 3.27Å; N12-K15 PolarHBondContact O-N 2.91Å; N12-K15 VanDerWaalsContact O-N 3.15Å; N12-D16 VanDerWaalsContact O-CG 3.3Å; N12-D16 PolarHBondContact O-N 3.38Å
13E90.1Very high85.9Confident78 Ų7884.5 Ų84.536%0.36441%0.412SS..Hα-helixtrans-62.7-40.5178.3-63.5153.5-164.500111.2L9 K10 K15 D16 E17L9-E13 WeakPolarHBondContact CA-OE2 3.29Å; L9-E13 HydrophobicContact CB-CB 4.22Å; L9-E13 HydrophobicContact CD2-CB 4.17Å; K10-E13 HydrophobicContact CB-CG 4.39Å; K10-E13 PolarHBondContact N-OE2 3.3Å; K10-E13 WeakPolarHBondContact O-CB 3.23Å; K10-E13 PolarHBondContact O-N 3.17Å; E13-K15 PolarHBondContact O-N 3.13Å; E13-D16 PolarHBondContact O-N 3.38Å; E13-E17 PolarHBondContact O-N 3.04Å
14L89.7Confident87.2Confident0 Ų080.9 Ų80.90%039%0.393CS..Hα-helixtrans-60-43.5172.6-70.1168.5000112.2V6 L9 K10 N12 D16 L18 K29 L32 M33 L36V6-L14 HydrophobicContact CG1-CD2 3.8Å; L9-L14 HydrophobicContact CB-CD2 3.8Å; L9-L14 HydrophobicContact CB-CG 3.82Å; L9-L14 HydrophobicContact CD1-CD2 3.91Å; L9-L14 HydrophobicContact CG-CD2 4.46Å; K10-L14 WeakPolarHBondContact O-CG 3.48Å; K10-L14 PolarHBondContact O-N 3.17Å; N12-L14 VanDerWaalsContact C-N 3.35Å; N12-L14 PolarHBondContact O-N 3.27Å; L14-D16 VanDerWaalsContact C-N 3.35Å; L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.48Å; L14-L18 PolarHBondContact O-N 2.8Å; L14-K29 HydrophobicContact CD1-CD 4.46Å; L14-K29 HydrophobicContact CD1-CG 3.86Å; L14-L32 HydrophobicContact CB-CB 4.39Å; L14-M33 HydrophobicContact CD1-CG 3.48Å; L14-M33 VanDerWaalsContact CD1-CG 3.48Å; L14-M33 HydrophobicContact CD1-SD 4.37Å; L14-M33 HydrophobicContact CD2-CG 3.94Å; L14-M33 HydrophobicContact CG-CG 4.38Å; L14-L36 HydrophobicContact CD2-CD2 3.73Å
15K90.8Very high87.7Confident55 Ų5580 Ų8024%0.23939%0.388CS..Hα-helixtrans-67.9-35.1178.1-72.8-176-177.1-141.30112.7V11 N12 E13 K19 D25 L32V11-K15 HydrophobicContact CG1-CD 4.5Å; V11-K15 WeakPolarHBondContact O-CG 3.37Å; V11-K15 PolarHBondContact O-N 3.38Å; V11-K15 VanDerWaalsContact O-N 3.15Å; N12-K15 PolarHBondContact O-N 2.91Å; N12-K15 VanDerWaalsContact O-N 3.15Å; E13-K15 PolarHBondContact O-N 3.13Å; K15-K19 WeakPolarHBondContact O-CB 3.44Å; K15-K19 WeakPolarHBondContact O-CG 3.4Å; K15-K19 PolarHBondContact O-N 3.07Å; K15-D25 HydrophobicContact CB-CB 4.06Å; K15-D25 HydrophobicContact CD-CB 4.37Å; K15-D25 WeakPolarHBondContact CD-O 3.42Å; K15-D25 WeakPolarHBondContact CE-O 3.44Å; K15-D25 HydrophobicContact CG-CB 4.02Å; K15-D25 PolarHBondContact NZ-O 3.23Å; K15-L32 HydrophobicContact CD-CD1 4.46Å; K15-L32 HydrophobicContact CG-CD1 3.97Å
16D90.8Very high88Confident88 Ų8883.2 Ų83.247%0.47140%0.398SS..Hα-helixtrans-73.2-38.9177.9-66.5-23.1000111.2N12 E13 L14 K19 K20N12-D16 VanDerWaalsContact O-CG 3.3Å; N12-D16 PolarHBondContact O-N 3.38Å; E13-D16 PolarHBondContact O-N 3.38Å; L14-D16 VanDerWaalsContact C-N 3.35Å; D16-K19 PolarHBondContact O-N 2.83Å; D16-K20 WeakPolarHBondContact O-CG 3.45Å; D16-K20 PolarHBondContact O-N 2.82Å
17E88.5Confident88.1Confident33 Ų3385 Ų8515%0.15442%0.417CS..Hα-helixtrans-67.6-37.7172.6-75.9-58.5132.900113.4E13 K20 R21 L36E13-E17 PolarHBondContact O-N 3.04Å; E17-K20 PolarHBondContact O-N 3.5Å; E17-K20 IonicContact OE1-NZ 2.69Å; E17-K20 PolarHBondContact OE1-NZ 2.75Å; E17-R21 PolarHBondContact O-N 3.32Å; E17-R21 IonicContact OE2-CZ 3.69Å; E17-R21 IonicContact OE2-NH1 3.64Å; E17-R21 PolarHBondContact OE2-NH1 2.93Å; E17-L36 HydrophobicContact CB-CD1 3.94Å; E17-L36 HydrophobicContact CB-CD2 3.74Å; E17-L36 HydrophobicContact CG-CD2 4.45Å
18L90.9Very high88.3Confident0 Ų082.8 Ų82.80%041%0.412CS..Hα-helixtrans-65-41.6171.8-74.7166.8000111.5L14 K20 R21 N22 L23 L32 R35 L36L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.48Å; L14-L18 PolarHBondContact O-N 2.8Å; L18-K20 PolarHBondContact O-N 2.78Å; L18-R21 CarbonylContact O-C 3.56Å; L18-R21 PolarHBondContact O-N 3.19Å; L18-R21 VanDerWaalsContact O-N 3.12Å; L18-N22 PolarHBondContact O-N 2.71Å; L18-N22 VanDerWaalsContact O-N 3.17Å; L18-L23 HydrophobicContact CB-CB 4.22Å; L18-L23 HydrophobicContact CD2-CB 3.71Å; L18-L23 HydrophobicContact CD2-CD1 3.85Å; L18-L23 HydrophobicContact CD2-CG 4.45Å; L18-L23 PolarHBondContact O-N 2.85Å; L18-L32 HydrophobicContact CD1-CB 3.94Å; L18-L32 HydrophobicContact CD1-CD2 3.5Å; L18-L32 VanDerWaalsContact CD1-CD2 3.5Å; L18-L32 HydrophobicContact CD1-CG 4.31Å; L18-R35 HydrophobicContact CD2-CB 4.19Å; L18-R35 HydrophobicContact CD2-CG 3.93Å; L18-L36 HydrophobicContact CD2-CB 3.93Å; L18-L36 HydrophobicContact CD2-CD1 4.23Å; L18-L36 HydrophobicContact CG-CB 4.22Å; L18-L36 HydrophobicContact CG-CD1 4.42Å
19K91.2Very high88.5Confident105 Ų10578.6 Ų78.646%0.45739%0.394SS..Hα-helixtrans-62.3-40.4175.1-84172.6179.9146.30113.2K15 D16 R21 N22 D25K15-K19 WeakPolarHBondContact O-CB 3.44Å; K15-K19 WeakPolarHBondContact O-CG 3.4Å; K15-K19 PolarHBondContact O-N 3.07Å; D16-K19 PolarHBondContact O-N 2.83Å; K19-R21 PolarHBondContact O-N 3.48Å; K19-N22 PolarHBondContact O-N 3.35Å; K19-D25 WeakPolarHBondContact CE-OD2 3.28Å; K19-D25 HydrophobicContact CG-CB 4.33Å; K19-D25 IonicContact NZ-OD2 3.66Å; K19-D25 PolarHBondContact NZ-OD2 2.8Å
20K89.4Confident88.6Confident147 Ų14779.5 Ų79.564%0.63941%0.407SS*.Hα-helixtrans-57.8-31.7174.3-73.5172.4-170.4175.50112.2D16 E17 L18D16-K20 WeakPolarHBondContact O-CG 3.45Å; D16-K20 PolarHBondContact O-N 2.82Å; E17-K20 PolarHBondContact O-N 3.5Å; E17-K20 IonicContact OE1-NZ 2.69Å; E17-K20 PolarHBondContact OE1-NZ 2.75Å; L18-K20 PolarHBondContact O-N 2.78Å
21R86.6Confident88.4Confident59 Ų5976.9 Ų76.922%0.22340%0.397CS..THydrogen-bonded Turntrans-92.68.3176.8-67.4177.2173.377.15.2114.1E17 L18 K19 L23 L40 E43E17-R21 PolarHBondContact O-N 3.32Å; E17-R21 IonicContact OE2-CZ 3.69Å; E17-R21 IonicContact OE2-NH1 3.64Å; E17-R21 PolarHBondContact OE2-NH1 2.93Å; L18-R21 CarbonylContact O-C 3.56Å; L18-R21 PolarHBondContact O-N 3.19Å; L18-R21 VanDerWaalsContact O-N 3.12Å; K19-R21 PolarHBondContact O-N 3.48Å; R21-L23 HydrophobicContact CB-CD1 3.94Å; R21-L23 HydrophobicContact CB-CG 4.18Å; R21-L23 PolarHBondContact O-N 3.11Å; R21-L40 VanDerWaalsContact NH2-CD2 3.35Å; R21-E43 WeakPolarHBondContact CD-OE1 3.37Å; R21-E43 IonicContact CZ-OE1 3.37Å; R21-E43 IonicContact CZ-OE2 2.71Å; R21-E43 IonicContact NE-OE1 3.21Å; R21-E43 PolarHBondContact NE-OE1 2.72Å; R21-E43 IonicContact NE-OE2 2.78Å; R21-E43 PolarHBondContact NE-OE2 2.85Å; R21-E43 IonicContact NH2-OE1 2.83Å; R21-E43 IonicContact NH2-OE2 2.59Å; R21-E43 PolarHBondContact NH2-OE2 3.37Å
22N88.6Confident88.6Confident156 Ų15674.1 Ų74.183%0.83438%0.38SS*.THydrogen-bonded Turntrans56.725.7-175-60.4-57.4000114.9L18 K19L18-N22 PolarHBondContact O-N 2.71Å; L18-N22 VanDerWaalsContact O-N 3.17Å; K19-N22 PolarHBondContact O-N 3.35Å
23L87.2Confident88.6Confident61 Ų6170.5 Ų70.532%0.31936%0.36SS..  trans-92.9156.9177.3-66167.3000111.8L18 R21 D25 A39L18-L23 HydrophobicContact CB-CB 4.22Å; L18-L23 HydrophobicContact CD2-CB 3.71Å; L18-L23 HydrophobicContact CD2-CD1 3.85Å; L18-L23 HydrophobicContact CD2-CG 4.45Å; L18-L23 PolarHBondContact O-N 2.85Å; R21-L23 HydrophobicContact CB-CD1 3.94Å; R21-L23 HydrophobicContact CB-CG 4.18Å; R21-L23 PolarHBondContact O-N 3.11Å; L23-D25 PolarHBondContact O-N 2.78Å; L23-A39 HydrophobicContact CD1-CB 3.53Å
24S88Confident88.7Confident64 Ų6471.9 Ų71.945%0.44837%0.37SS..  trans-63126.2-177.7-179.60000112.7K26 R35S24-K26 VanDerWaalsContact C-N 3.33Å; S24-R35 PolarHBondContact O-NH1 2.98Å
25D87Confident88.7Confident42 Ų4275.6 Ų75.623%0.22538%0.384CS..  trans-91.410.7178.881.2-37.6000114K15 K19 L23K15-D25 HydrophobicContact CB-CB 4.06Å; K15-D25 HydrophobicContact CD-CB 4.37Å; K15-D25 WeakPolarHBondContact CD-O 3.42Å; K15-D25 WeakPolarHBondContact CE-O 3.44Å; K15-D25 HydrophobicContact CG-CB 4.02Å; K15-D25 PolarHBondContact NZ-O 3.23Å; K19-D25 WeakPolarHBondContact CE-OD2 3.28Å; K19-D25 HydrophobicContact CG-CB 4.33Å; K19-D25 IonicContact NZ-OD2 3.66Å; K19-D25 PolarHBondContact NZ-OD2 2.8Å; L23-D25 PolarHBondContact O-N 2.78Å
26K86Confident88.7Confident157 Ų15773 Ų7368%0.68337%0.373SS*.  trans-100.3141.9179.4-60.5-178.7-175.2174.20110.7S24 R35S24-K26 VanDerWaalsContact C-N 3.33Å; K26-R35 PolarHBondContact O-NH1 2.99Å
27G85.9Confident88.6Confident39 Ų3972.1 Ų72.140%0.40237%0.366SS..SBendtrans136.2174.8-178.700000113.8E31G27-E31 WeakPolarHBondContact CA-OE2 3.2Å
28L88Confident88.7Confident128 Ų12873.3 Ų73.367%0.6738%0.381SS*.  trans-73.4165.7168-71.1171.4000110.9A30 E31 L32L28-A30 VanDerWaalsContact C-N 3.29Å; L28-A30 PolarHBondContact O-N 3.16Å; L28-E31 HydrophobicContact CB-CG 4.49Å; L28-E31 PolarHBondContact N-OE2 2.87Å; L28-E31 PolarHBondContact O-N 3.44Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 2.94Å
29K87.9Confident88.5Confident83 Ų8374 Ų7436%0.36139%0.387SS..Hα-helixtrans-57.6-40.9-176.5-170.4-176.5-177.4-163.10112.4L9 V11 L14 L32 M33L9-K29 WeakPolarHBondContact O-CE 3Å; L9-K29 PolarHBondContact O-NZ 2.8Å; V11-K29 HydrophobicContact CG2-CB 4.08Å; V11-K29 HydrophobicContact CG2-CD 3.94Å; V11-K29 HydrophobicContact CG2-CG 3.89Å; L14-K29 HydrophobicContact CD1-CD 4.46Å; L14-K29 HydrophobicContact CD1-CG 3.86Å; K29-L32 PolarHBondContact O-N 2.93Å; K29-M33 HydrophobicContact CD-SD 4.34Å; K29-M33 HydrophobicContact CG-CE 4.2Å; K29-M33 HydrophobicContact CG-CG 4.38Å; K29-M33 HydrophobicContact CG-SD 4.21Å; K29-M33 WeakPolarHBondContact O-CG 3.36Å; K29-M33 PolarHBondContact O-N 2.94Å
30A86.9Confident88.3Confident53 Ų5370.4 Ų70.444%0.43837%0.372SS..Hα-helixtrans-57.1-56177.500000111.5L28 L32 M33 D34L28-A30 VanDerWaalsContact C-N 3.29Å; L28-A30 PolarHBondContact O-N 3.16Å; A30-L32 PolarHBondContact O-N 3Å; A30-L32 VanDerWaalsContact O-N 3.11Å; A30-M33 WeakPolarHBondContact O-CA 3.36Å; A30-M33 WeakPolarHBondContact O-CB 3.33Å; A30-M33 PolarHBondContact O-N 2.95Å; A30-D34 PolarHBondContact O-N 3.28Å
31E87.2Confident88.1Confident90 Ų9067.3 Ų67.342%0.42136%0.363SS..Hα-helixtrans-56.4-32.1179.3-58.2167.7175.500113.6G27 L28 R35G27-E31 WeakPolarHBondContact CA-OE2 3.2Å; L28-E31 HydrophobicContact CB-CG 4.49Å; L28-E31 PolarHBondContact N-OE2 2.87Å; L28-E31 PolarHBondContact O-N 3.44Å; E31-R35 WeakPolarHBondContact O-CB 2.91Å; E31-R35 PolarHBondContact O-N 2.94Å
32L91Very high87.9Confident0 Ų071.3 Ų71.30%038%0.384CS..Hα-helixtrans-77.4-33.2175.8-62.7169000112.4V11 L14 K15 L18 L28 K29 A30 L36V11-L32 HydrophobicContact CG1-CD1 4.24Å; L14-L32 HydrophobicContact CB-CB 4.39Å; K15-L32 HydrophobicContact CD-CD1 4.46Å; K15-L32 HydrophobicContact CG-CD1 3.97Å; L18-L32 HydrophobicContact CD1-CB 3.94Å; L18-L32 HydrophobicContact CD1-CD2 3.5Å; L18-L32 VanDerWaalsContact CD1-CD2 3.5Å; L18-L32 HydrophobicContact CD1-CG 4.31Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 2.94Å; K29-L32 PolarHBondContact O-N 2.93Å; A30-L32 PolarHBondContact O-N 3Å; A30-L32 VanDerWaalsContact O-N 3.11Å; L32-L36 WeakPolarHBondContact O-CB 3.48Å; L32-L36 PolarHBondContact O-N 2.67Å
33M90.1Very high87.5Confident42 Ų4268 Ų6821%0.20736%0.363CS..Hα-helixtrans-70.1-49173.8-70.2-176.6-54.900110.6V6 L14 K29 A30 R35 L36 Q37V6-M33 HydrophobicContact CG1-CB 3.78Å; V6-M33 HydrophobicContact CG1-CG 3.96Å; L14-M33 HydrophobicContact CD1-CG 3.48Å; L14-M33 VanDerWaalsContact CD1-CG 3.48Å; L14-M33 HydrophobicContact CD1-SD 4.37Å; L14-M33 HydrophobicContact CD2-CG 3.94Å; L14-M33 HydrophobicContact CG-CG 4.38Å; K29-M33 HydrophobicContact CD-SD 4.34Å; K29-M33 HydrophobicContact CG-CE 4.2Å; K29-M33 HydrophobicContact CG-CG 4.38Å; K29-M33 HydrophobicContact CG-SD 4.21Å; K29-M33 WeakPolarHBondContact O-CG 3.36Å; K29-M33 PolarHBondContact O-N 2.94Å; A30-M33 WeakPolarHBondContact O-CA 3.36Å; A30-M33 WeakPolarHBondContact O-CB 3.33Å; A30-M33 PolarHBondContact O-N 2.95Å; M33-R35 VanDerWaalsContact C-N 3.32Å; M33-R35 PolarHBondContact O-N 3.03Å; M33-L36 PolarHBondContact O-N 3.44Å; M33-L36 VanDerWaalsContact O-N 3.14Å; M33-Q37 WeakPolarHBondContact O-CB 3.49Å; M33-Q37 PolarHBondContact O-N 3.02Å
34D90.6Very high87Confident108 Ų10868.5 Ų68.558%0.57838%0.377SS*.Hα-helixtrans-62.1-41.5-177.7-58.3-25.7000111A30 L36 Q37 A38A30-D34 PolarHBondContact O-N 3.28Å; D34-L36 PolarHBondContact O-N 2.66Å; D34-Q37 PolarHBondContact O-N 3.13Å; D34-A38 WeakPolarHBondContact O-CB 3.47Å; D34-A38 PolarHBondContact O-N 2.88Å
35R90.9Very high86.2Confident77 Ų7772 Ų7229%0.29139%0.39SS..Hα-helixtrans-66.4-33.5175.9-169.2-179.3-56.1134.312.8113.5L18 S24 K26 E31 M33 A39L18-R35 HydrophobicContact CD2-CB 4.19Å; L18-R35 HydrophobicContact CD2-CG 3.93Å; S24-R35 PolarHBondContact O-NH1 2.98Å; K26-R35 PolarHBondContact O-NH1 2.99Å; E31-R35 WeakPolarHBondContact O-CB 2.91Å; E31-R35 PolarHBondContact O-N 2.94Å; M33-R35 VanDerWaalsContact C-N 3.32Å; M33-R35 PolarHBondContact O-N 3.03Å; R35-A39 PolarHBondContact O-N 3.14Å
36L90Very high85.1Confident1 Ų173.1 Ų73.11%0.00541%0.405CS..Hα-helixtrans-78.2-35.6176.3-176.561.6000111.5V6 L9 L14 E17 L18 L32 M33 D34 L40V6-L36 HydrophobicContact CG1-CB 4.34Å; V6-L36 HydrophobicContact CG1-CD2 4.31Å; V6-L36 HydrophobicContact CG2-CD2 4.23Å; V6-L36 HydrophobicContact CG2-CG 4.21Å; L9-L36 HydrophobicContact CD1-CD2 4.09Å; L14-L36 HydrophobicContact CD2-CD2 3.73Å; E17-L36 HydrophobicContact CB-CD1 3.94Å; E17-L36 HydrophobicContact CB-CD2 3.74Å; E17-L36 HydrophobicContact CG-CD2 4.45Å; L18-L36 HydrophobicContact CD2-CB 3.93Å; L18-L36 HydrophobicContact CD2-CD1 4.23Å; L18-L36 HydrophobicContact CG-CB 4.22Å; L18-L36 HydrophobicContact CG-CD1 4.42Å; L32-L36 WeakPolarHBondContact O-CB 3.48Å; L32-L36 PolarHBondContact O-N 2.67Å; M33-L36 PolarHBondContact O-N 3.44Å; M33-L36 VanDerWaalsContact O-N 3.14Å; D34-L36 PolarHBondContact O-N 2.66Å; L36-L40 HydrophobicContact CG-CD1 4.35Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 2.84Å; L36-L40 VanDerWaalsContact O-N 3.14Å
37Q89.3Confident83.5Confident70 Ų7068.2 Ų68.233%0.32740%0.399SS..Hα-helixtrans-65.9-49.8176.5-171.462.160.700110.7M33 D34 A39 L40 D41M33-Q37 WeakPolarHBondContact O-CB 3.49Å; M33-Q37 PolarHBondContact O-N 3.02Å; D34-Q37 PolarHBondContact O-N 3.13Å; Q37-A39 VanDerWaalsContact C-N 3.27Å; Q37-A39 PolarHBondContact O-N 3.19Å; Q37-L40 WeakPolarHBondContact O-CB 3.47Å; Q37-L40 PolarHBondContact O-N 2.79Å; Q37-D41 PolarHBondContact NE2-OD1 3.18Å; Q37-D41 PolarHBondContact O-N 3.16Å
38A89.6Confident81.7Confident57 Ų5773.7 Ų73.747%0.47142%0.418SS..Hα-helixtrans-55.5-41177.100000112.7D34 D41 E42D34-A38 WeakPolarHBondContact O-CB 3.47Å; D34-A38 PolarHBondContact O-N 2.88Å; A38-D41 PolarHBondContact O-N 3.38Å; A38-E42 WeakPolarHBondContact O-CB 3.28Å; A38-E42 PolarHBondContact O-N 2.94Å
39A87.7Confident79.4Confident15 Ų1573.4 Ų73.412%0.12442%0.422CS..Hα-helixtrans-68-33.7176.800000113.5L23 R35 Q37 E43L23-A39 HydrophobicContact CD1-CB 3.53Å; R35-A39 PolarHBondContact O-N 3.14Å; Q37-A39 VanDerWaalsContact C-N 3.27Å; Q37-A39 PolarHBondContact O-N 3.19Å; A39-E43 WeakPolarHBondContact O-CB 3.26Å; A39-E43 VanDerWaalsContact O-CG 3.32Å; A39-E43 WeakPolarHBondContact O-CG 3.33Å; A39-E43 PolarHBondContact O-N 3.39Å
40L86.8Confident76.9Confident30 Ų3074.5 Ų74.516%0.15744%0.44CS..Hα-helixtrans-71.9-35.2174.3-73.4168.9000111.9I4 V6 R21 L36 Q37 A44I4-L40 HydrophobicContact CB-CD1 4.44Å; V6-L40 HydrophobicContact CG2-CD1 3.59Å; R21-L40 VanDerWaalsContact NH2-CD2 3.35Å; L36-L40 HydrophobicContact CG-CD1 4.35Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 2.84Å; L36-L40 VanDerWaalsContact O-N 3.14Å; Q37-L40 WeakPolarHBondContact O-CB 3.47Å; Q37-L40 PolarHBondContact O-N 2.79Å; L40-A44 WeakPolarHBondContact O-CB 3.48Å; L40-A44 PolarHBondContact O-N 3.5Å
41D83.9Confident74.4Confident81 Ų8176.8 Ų76.843%0.43346%0.459SS..Hα-helixtrans-71.8-37.2178-58-23.2000110.5Q37 A38 A44 L45Q37-D41 PolarHBondContact NE2-OD1 3.18Å; Q37-D41 PolarHBondContact O-N 3.16Å; A38-D41 PolarHBondContact O-N 3.38Å; D41-A44 WeakPolarHBondContact O-CB 3.21Å; D41-A44 PolarHBondContact O-N 3.45Å; D41-L45 WeakPolarHBondContact O-CG 3.19Å; D41-L45 PolarHBondContact O-N 3.44Å
42E82.8Confident71.7Confident143 Ų14377.2 Ų77.267%0.66848%0.478SS*.Hα-helixtrans-68.7-40.6171.7-167174-160.500112.3A38 A44 L45 A46A38-E42 WeakPolarHBondContact O-CB 3.28Å; A38-E42 PolarHBondContact O-N 2.94Å; E42-A44 PolarHBondContact O-N 3.27Å; E42-L45 PolarHBondContact O-N 2.9Å; E42-A46 WeakPolarHBondContact O-CB 3.41Å; E42-A46 PolarHBondContact O-N 2.78Å
43E80.2Confident68.7Low87 Ų8785.9 Ų85.941%0.40752%0.519SS..Hα-helixtrans-58.8-34.7170.1-83.1173.4-167.800112R21 A39 G47R21-E43 WeakPolarHBondContact CD-OE1 3.37Å; R21-E43 IonicContact CZ-OE1 3.37Å; R21-E43 IonicContact CZ-OE2 2.71Å; R21-E43 IonicContact NE-OE1 3.21Å; R21-E43 PolarHBondContact NE-OE1 2.72Å; R21-E43 IonicContact NE-OE2 2.78Å; R21-E43 PolarHBondContact NE-OE2 2.85Å; R21-E43 IonicContact NH2-OE1 2.83Å; R21-E43 IonicContact NH2-OE2 2.59Å; R21-E43 PolarHBondContact NH2-OE2 3.37Å; A39-E43 WeakPolarHBondContact O-CB 3.26Å; A39-E43 VanDerWaalsContact O-CG 3.32Å; A39-E43 WeakPolarHBondContact O-CG 3.33Å; A39-E43 PolarHBondContact O-N 3.39Å; E43-G47 PolarHBondContact O-N 2.88Å
44A77.4Confident65.8Low72 Ų7292.6 Ų92.660%0.59555%0.55SS*.Hα-helixtrans-72.9-40.4177.300000112.5L40 D41 E42 G47L40-A44 WeakPolarHBondContact O-CB 3.48Å; L40-A44 PolarHBondContact O-N 3.5Å; D41-A44 WeakPolarHBondContact O-CB 3.21Å; D41-A44 PolarHBondContact O-N 3.45Å; E42-A44 PolarHBondContact O-N 3.27Å; A44-G47 PolarHBondContact O-N 3.42Å
45L70.5Confident62.8Low138 Ų13890.7 Ų90.772%0.72356%0.555SS**Hα-helixtrans-69.5-36.6176.8-73.4161.6000112.6D41 E42 G47D41-L45 WeakPolarHBondContact O-CG 3.19Å; D41-L45 PolarHBondContact O-N 3.44Å; E42-L45 PolarHBondContact O-N 2.9Å; L45-G47 PolarHBondContact O-N 3.41Å
46A64.4Low59.6Low65 Ų6592.9 Ų92.954%0.53758%0.583SS.*Hα-helixtrans-71.2-15.9177.200000113.7E42 D48E42-A46 WeakPolarHBondContact O-CB 3.41Å; E42-A46 PolarHBondContact O-N 2.78Å; A46-D48 VanDerWaalsContact C-N 3.34Å; A46-D48 PolarHBondContact O-N 3.1Å
47G52.5Low56.7Low54 Ų5498.9 Ų98.956%0.55762%0.619SS**THydrogen-bonded Turntrans-72.8-19.4-179.500000115.2E43 A44 L45E43-G47 PolarHBondContact O-N 2.88Å; A44-G47 PolarHBondContact O-N 3.42Å; L45-G47 PolarHBondContact O-N 3.41Å
48D48.3Very low53.7Low153 Ų153103 Ų10382%0.81864%0.643SS**THydrogen-bonded Turntrans-99.70.7-165.8-143.421.6000114.3A46A46-D48 VanDerWaalsContact C-N 3.34Å; A46-D48 PolarHBondContact O-N 3.1Å
49T38.8Very low50.6Low123 Ų123108 Ų10876%0.75566%0.662SS**SBendtrans-110.420.7-171.851.50000114.7
50S36.5Very low47.6Very low105 Ų105110 Ų11073%0.73469%0.685SS**SBendtrans-131.942.6-172.465.70000117.1
51A33.4Very low44.6Very low102 Ų102117.7 Ų117.784%0.84372%0.717SS**  trans-159.462.8168.100000116.2
52A30.4Very low41.9Very low99 Ų99118.7 Ų118.782%0.81872%0.723SS**  trans-155.974.5171.300000115.7
53Q28.6Very low39.2Very low181 Ų181120.4 Ų120.485%0.84673%0.731SS**SBendtrans168.4133.3158.9-101.8-178.9-14.600107.6
54E28.6Very low36.5Very low183 Ų183121.9 Ų121.986%0.85575%0.75SS**  cis-137.5169-11.3-73.8-174.9138.200108.4
55G27.5Very low34Very low68 Ų68124.5 Ų124.570%0.70176%0.758SS**  trans-101.3-168.3-164.500000119.1
56S24.8Very low31.9Very low123 Ų123125.2 Ų125.286%0.8676%0.763SS**  trans73.1131.3-168.175.40000113.7
57V28.3Very low30Very low128 Ų128129.6 Ų129.678%0.77677%0.772SS**  cis-144.3141.241.5169.70000112.9
58D27.4Very low28.8Very low156 Ų156135 Ų13583%0.83478%0.783SS**  trans11.5103.3146.9-162.838.3000120
59D24.8Very low27.6Very low161 Ų161130.5 Ų130.586%0.86177%0.774SS**  -165.6145.3125.1-150.3-33.4000110.3
60G23.9Very low27Very low58 Ų58134.1 Ų134.160%0.59878%0.784SS**  trans77.5101.1155.700000121.8
61F24.6Very low26.5Very low192 Ų192132 Ų13284%0.84278%0.78SS**  61.497.1129.7-145.7-105.6000118.5
62D26.4Very low26.3Very low102 Ų102136 Ų13655%0.54578%0.78SS.*  88.1117.890.7-17736.3000114.9
63Q26.3Very low26.2Very low179 Ų179139 Ų13984%0.83678%0.778SS**  trans-177.2111.3134.9-105.8176.720.300111.7
64S23.8Very low26.4Very low118 Ų118138.6 Ų138.683%0.82578%0.776SS**  trans179.382.9136.529.40000109.3
65V24.7Very low26.4Very low126 Ų126138.1 Ų138.176%0.76477%0.774SS**  trans-117.5134.6157.7-167.20000106.6
66D25.5Very low26.4Very low154 Ų154138.3 Ų138.382%0.82478%0.776SS**  trans-56.9-167.2164.1-70.4-76.3000112
67Q25.8Very low26.7Very low156 Ų156142.2 Ų142.273%0.72978%0.78SS**  trans89122.7153.8-147.8157.654.900114.8
68E27.1Very low26.6Very low167 Ų167139.3 Ų139.378%0.7878%0.777SS**  cis-166171.4-8.5-129.4163.3-136.200109.1
69G23.2Very low26.6Very low60 Ų60141.4 Ų141.462%0.61978%0.781SS**  102.3117.5128.400000118.5
70M25Very low26.4Very low198 Ų198137 Ų13798%0.97577%0.774SS**  trans50.4131.3141-64.4175.7161.400119.5
71G26.1Very low27.3Very low62 Ų62140 Ų14064%0.63978%0.783SS**  cis152.1162.52.300000110.9
72E29.2Very low27.5Very low184 Ų184135.8 Ų135.886%0.8677%0.772SS**  trans67.4147.5156.4-48.3175.6160.700114.8
73E29.4Very low27.6Very low163 Ų163138.8 Ų138.876%0.76278%0.783SS**  cis-141131.216.6-76.7-179.2163.800107.9
74E31.5Very low27.6Very low173 Ų173137.7 Ų137.781%0.80878%0.778SS**  72.4144.393.6-90.3-175.8-175.700115.6
75E29.8Very low27.9Very low173 Ų173137 Ų13781%0.80877%0.773SS**  cis-133160.4-2.5-58.7-172.8117.200108.2
76G27.7Very low27.9Very low72 Ų72138.4 Ų138.474%0.74277%0.773SS**  105.9144.256.700000108.9
77E29.8Very low28Very low204 Ų204138.6 Ų138.695%0.95377%0.769SS**  cis-149.3170.2-1.6-57.2176.8129.700105.7
78G27.1Very low28.1Very low68 Ų68135.2 Ų135.270%0.70177%0.768SS**  cis169.9170.12.500000110.3
79E26.3Very low28.2Very low200 Ų200133.7 Ų133.794%0.93577%0.765SS**  trans72.797.9164.3-53.7-162163.100120.9
80G21.9Very low28.5Very low68 Ų68137.9 Ų137.970%0.70177%0.768SS**  -83.4-147.6129.300000109.6
81P42.3Very low28.7Very low122 Ų122135.8 Ų135.879%0.79276%0.756SS**  cis-121.5-154.3-1.129.4-4.2000110
82V28.1Very low28.8Very low102 Ų102141.2 Ų141.262%0.61877%0.765SS**  cis-159.5142.722.3-126.90000110.8
83E28.9Very low28.7Very low165 Ų165136.1 Ų136.177%0.77175%0.754SS**  55158.1128.1-76164.4-16900121.5
84E27.3Very low28.5Very low157 Ų157136.3 Ų136.373%0.73476%0.755SS**  cis-157.916019.7-147.5175.8-174.900112.6
85S28.4Very low28.4Very low102 Ų102133.6 Ų133.671%0.71375%0.746SS**  trans66.6153.314673.80000121.7
86M26.1Very low28.3Very low157 Ų157133.8 Ų133.877%0.77375%0.747SS**  cis-168.4158.9-39.9-134.6177.4160.200110.4
87E27.7Very low28.2Very low158 Ų158137.5 Ų137.574%0.73875%0.75SS**  trans69.6120.7142.8-89.5177.7-162.400125
88A27.1Very low28Very low84 Ų84135 Ų13569%0.69474%0.743SS**  109.590.5108.300000121
89N29.6Very low28Very low135 Ų135135.3 Ų135.372%0.72275%0.746SS**  72.1149.8106.8-110.917.9000124.9
90E29.3Very low28Very low148 Ų148133 Ų13369%0.69274%0.74SS**  trans69.4144.8146.9-76.4161.9-139.700119.4
91E28.6Very low28.1Very low155 Ų155133 Ų13372%0.72474%0.741SS**  cis-171.3179.7-25.5-134.9171.8-156.500109.1
92E27.7Very low27.4Very low175 Ų175133 Ų13382%0.81874%0.738SS**  trans65.8157.7158-59.7-122.6141.900119.4
93A27Very low27.4Very low77 Ų77131.4 Ų131.464%0.63674%0.736SS**  cis-163.6133.6-28.600000109.7
94E27.1Very low27.3Very low168 Ų168132.1 Ų132.179%0.78574%0.739SS**  trans41.9136.6131.4-89.6-173.9-152.600126.2
95N28.1Very low27.2Very low116 Ų116132 Ų13262%0.6274%0.743SS**  trans107.1141.3130.7-70.7-19.8000124.6
96E27.8Very low27.3Very low177 Ų177135.3 Ų135.383%0.82775%0.748SS**  trans70.8134.1151.9-76.2167.6-150.600118.9
97D25.9Very low27.2Very low149 Ų149137.3 Ų137.380%0.79776%0.755SS**  cis-165.817923.5-168.922.6000112.6
98D26.6Very low27.3Very low153 Ų153138.1 Ų138.182%0.81876%0.761SS**  trans-57.6165.8-175-107.2-40.3000119.7
99G25.7Very low27.2Very low74 Ų74137.8 Ų137.876%0.76377%0.766SS**  trans-173.752.6177.200000118.3
100N26Very low27.1Very low150 Ų150140.9 Ų140.980%0.80278%0.776SS**  trans-59.5150.3-179.7-173.616.2000115.4
101G25.1Very low26.9Very low70 Ų70137.3 Ų137.372%0.72278%0.779SS**  trans-164.38.9-170.500000122.7
102V27.6Very low26.9Very low121 Ų121139.1 Ų139.173%0.73379%0.787SS**  trans48.2123.6145.2-174.20000123.1
103A28.3Very low26.8Very low69 Ų69139 Ų13957%0.5779%0.792SS**  trans87.1121.4141.500000124.4
104E26.8Very low26.6Very low179 Ų179138.8 Ų138.884%0.83680%0.797SS**  62.8140.4124.5-62.5156.6-168.100119
105D25.7Very low26.5Very low154 Ų154134.7 Ų134.782%0.82480%0.8SS**  cis-149.3167.635-134.1-21.7000114.1
106E29Very low26.3Very low173 Ų173137.1 Ų137.181%0.80881%0.813SS**  trans-85.6156.6178.5-56.8-174.4160.100113.7
107E25.6Very low26.2Very low199 Ų199132.2 Ų132.293%0.9381%0.81SS**  trans-153.9129.8132.7-136.8177.9-166.100113.3
108M28.6Very low26.3Very low174 Ų174132.3 Ų132.386%0.85781%0.81SS**  trans-86.7152.3173-85-87.7-15300111.5
109G24.9Very low26.4Very low78 Ų78134 Ų13480%0.80481%0.813SS**  trans-159.291.9170.700000113.6
110E28.2Very low26.4Very low200 Ų200138.3 Ų138.394%0.93582%0.819SS**  trans-79.6154.8166.6-62.7-171.3145.400111.4
111G25.6Very low26.7Very low72 Ų72138.3 Ų138.374%0.74282%0.819SS**  trans160.987.4163.700000118.9
112E26.6Very low27.1Very low194 Ų194144.5 Ų144.591%0.90783%0.829SS**  trans59.398.5141.1-57.4-171.9159.800122.1
113D25.9Very low27.5Very low173 Ų173144.1 Ų144.193%0.92582%0.821SS**  54.5145.9107.5-154.619.6000123.3
114G24.1Very low28Very low71 Ų71145.6 Ų145.673%0.73282%0.819SS**  trans121.9103.1156.900000117.1
115G23.5Very low28.3Very low82 Ų82142.3 Ų142.385%0.84581%0.813SS**  trans168.660.7168.100000118
116D25.2Very low28.8Very low168 Ų168141.8 Ų141.890%0.89881%0.807SS**  trans-57.4147.8172.3-80-45.5000113.7
117G25.5Very low29.2Very low73 Ų73138.4 Ų138.475%0.75379%0.794SS**  trans-156.274.5174.600000111.4E119G117-E119 PolarHBondContact O-N 2.86Å
118D27.6Very low29.7Very low151 Ų151134.5 Ų134.581%0.80777%0.774SS**  trans-59.6124.4173.5-70.9-53.3000111.4
119E28.5Very low30Very low189 Ų189129.6 Ų129.688%0.88376%0.761SS**  trans-122.7121.6156.5-72.3-162.6161.900109.7G117 D121G117-E119 PolarHBondContact O-N 2.86Å; E119-D121 PolarHBondContact O-N 3.17Å
120D25.7Very low30.5Very low165 Ų165131.9 Ų131.988%0.88276%0.755SS**  trans-69.8103.2-174.6-74.9-61.7000112.7E122D120-E122 PolarHBondContact O-N 3.03Å
121D31.8Very low30.9Very low149 Ų149126.1 Ų126.180%0.79773%0.733SS**  trans-71.4106.8165.9-97.7-33.8000111.2E119 M123E119-D121 PolarHBondContact O-N 3.17Å; D121-M123 PolarHBondContact O-N 2.83Å
122E33.9Very low31.2Very low201 Ų201128.3 Ų128.394%0.93973%0.728SS**  trans-67.274.6165.7-81.9-161.2138.500111.1D120D120-E122 PolarHBondContact O-N 3.03Å
123M35.4Very low31.7Very low113 Ų113123.9 Ų123.956%0.55771%0.711SS**  trans-65.4139.7171.2-85.1-153.2-82.300112.5D121D121-M123 PolarHBondContact O-N 2.83Å
124D39.1Very low32.4Very low100 Ų100122.6 Ų122.654%0.53570%0.701SS.*  trans-59.5122.4174.5-168.7-28.5000110.5M126 L127D124-M126 PolarHBondContact O-N 2.88Å; D124-M126 PolarHBondContact OD1-N 3.48Å; D124-M126 VanDerWaalsContact OD1-N 3.11Å; D124-L127 PolarHBondContact O-N 2.8Å
125P34.5Very low32.7Very low110 Ų110127.1 Ų127.171%0.71470%0.703SS**Hα-helixtrans-62.3-9.5-177.625-35.7000114.2L127P125-L127 VanDerWaalsContact C-N 3.32Å
126M34.8Very low33.3Very low142 Ų142132.2 Ų132.270%0.770%0.702SS**Hα-helixtrans-69.9-24.6171.3-125.7177.966.800113.6D124D124-M126 PolarHBondContact O-N 2.88Å; D124-M126 PolarHBondContact OD1-N 3.48Å; D124-M126 VanDerWaalsContact OD1-N 3.11Å
127L39.2Very low33.6Very low102 Ų102130.6 Ų130.653%0.53469%0.692SS.*Hα-helixtrans-92.4-33.3-174.8-71.1171.5000114.1D124 P125 A129 D130 V131D124-L127 PolarHBondContact O-N 2.8Å; P125-L127 VanDerWaalsContact C-N 3.32Å; L127-A129 VanDerWaalsContact C-N 3.27Å; L127-A129 PolarHBondContact O-N 3.12Å; L127-D130 PolarHBondContact O-N 2.95Å; L127-V131 WeakPolarHBondContact O-CG2 3.37Å; L127-V131 PolarHBondContact O-N 2.94Å
128K36Very low33.7Very low118 Ų118136.4 Ų136.451%0.51370%0.699SS.*Hα-helixtrans-57.5-39.5177.4-91.3-179.3169.6169.70112.7D130 V131 D132K128-D130 VanDerWaalsContact C-N 3.29Å; K128-D130 PolarHBondContact O-N 2.91Å; K128-V131 PolarHBondContact O-N 2.91Å; K128-D132 PolarHBondContact O-N 3.23Å
129A34.3Very low33.8Very low70 Ų70137 Ų13758%0.57970%0.703SS**Hα-helixtrans-67.1-23.5-177.200000115L127L127-A129 VanDerWaalsContact C-N 3.27Å; L127-A129 PolarHBondContact O-N 3.12Å
130D35.1Very low33.6Very low126 Ų126131.5 Ų131.567%0.67470%0.696SS**Hα-helixtrans-100.1-12.5-179.2-75.1-20000112.8L127 K128L127-D130 PolarHBondContact O-N 2.95Å; K128-D130 VanDerWaalsContact C-N 3.29Å; K128-D130 PolarHBondContact O-N 2.91Å
131V35.8Very low33.9Very low79 Ų79132.8 Ų132.848%0.47970%0.697SS.*Hα-helixtrans-93-47.1178.8175.70000111.6L127 K128 D133 M134L127-V131 WeakPolarHBondContact O-CG2 3.37Å; L127-V131 PolarHBondContact O-N 2.94Å; K128-V131 PolarHBondContact O-N 2.91Å; V131-D133 PolarHBondContact O-N 3.26Å; V131-M134 PolarHBondContact O-N 2.89Å; V131-M134 VanDerWaalsContact O-N 3.07Å
132D32.9Very low33.9Very low119 Ų119131.8 Ų131.864%0.63670%0.698SS**THydrogen-bonded Turntrans-60.5-19.6-178.5-67.4-17.9000113.6K128K128-D132 PolarHBondContact O-N 3.23Å
133D36.4Very low33.5Very low101 Ų101125.9 Ų125.954%0.5469%0.691SS.*THydrogen-bonded Turntrans-90-6.3-176.6-148.361000112.5V131 K166V131-D133 PolarHBondContact O-N 3.26Å; D133-K166 IonicContact OD1-NZ 2.94Å; D133-K166 PolarHBondContact OD1-NZ 3.09Å; D133-K166 IonicContact OD2-NZ 2.7Å; D133-K166 PolarHBondContact OD2-NZ 3.09Å
134M40.1Very low33.2Very low145 Ų145128 Ų12871%0.71471%0.705SS**THydrogen-bonded Turntrans-111.6-14.4-173.5-167.6154.7163.300114.5V131 K136V131-M134 PolarHBondContact O-N 2.89Å; V131-M134 VanDerWaalsContact O-N 3.07Å; M134-K136 PolarHBondContact O-N 3.44Å
135E31.8Very low32.6Very low166 Ų166131.3 Ų131.378%0.77672%0.723SS**SBendtrans-79.712.8174.3-64-167.5158.200114.2
136K35.2Very low32.4Very low189 Ų189130.9 Ų130.982%0.82273%0.728SS**  trans-132.968.9179-71.2-170.7178.8177.70113M134M134-K136 PolarHBondContact O-N 3.44Å
137I31Very low32.1Very low135 Ų135129 Ų12969%0.69274%0.736SS**  trans-133.498.5165.1-54.6-179.5000107.5
138E28.3Very low31.6Very low195 Ų195133.9 Ų133.991%0.91176%0.756SS**  trans-86.9145.9160-103.2-177.5144.100108.7
139D29.5Very low31.1Very low164 Ų164132.1 Ų132.188%0.87777%0.771SS**  trans-76.5149.5-167.7-62.5-64.8000114.7
140G25.7Very low30.8Very low73 Ų73136.8 Ų136.875%0.75379%0.786SS**  trans-156.6108.9172.200000111.4
141E30.6Very low30.6Very low192 Ų192135 Ų13590%0.89779%0.789SS**  trans-78.5151.5175-72.9-169.3133.700112.6
142P32.3Very low30.6Very low127 Ų127138.8 Ų138.883%0.82581%0.807SS**  trans-86.1145.6173.935.3-32.6000111.9
143G25.9Very low30.6Very low77 Ų77142.8 Ų142.879%0.79482%0.818SS**  trans-124.2125.4166.400000110.3
144D28.6Very low30.5Very low157 Ų157145.8 Ų145.884%0.8483%0.834SS**  trans-75.9146.2175.7-75.3-47.5000112.2
145N27.2Very low30.2Very low171 Ų171145.7 Ų145.791%0.91484%0.842SS**  trans-166.6134143.7-99-47.4000109.9
146A30.6Very low30.2Very low100 Ų100145.8 Ų145.883%0.82685%0.848SS**  trans-98.1143.2177.100000111.4
147A27.1Very low29.9Very low104 Ų104141.1 Ų141.186%0.8684%0.844SS**  trans-158145.1161.300000110.5
148E29.1Very low30Very low204 Ų204141.2 Ų141.295%0.95385%0.847SS**  trans-76.7160.2-179.7-59.6173.8119.600113
149G25.8Very low30.7Very low80 Ų80141 Ų14183%0.82585%0.845SS**  trans173.2119.6169.100000113.9
150D27.4Very low31.1Very low169 Ų169141.5 Ų141.590%0.90484%0.84SS**  trans-99.3172.9-170.1-168.919.4000114
151A31.3Very low31.5Very low89 Ų89145.3 Ų145.374%0.73684%0.843SS**  trans97.1135158.500000121
152D35.5Very low31.7Very low158 Ų158146.3 Ų146.385%0.84584%0.844SS**  trans-59.6151.1-175.8-69.4-62.2000117
153K32.7Very low31.7Very low203 Ų203149.6 Ų149.688%0.88385%0.846SS**  trans-162.5117.4130.6-112.9163.4-169.4168.70114
154D35Very low31.9Very low163 Ų163149.8 Ų149.887%0.87285%0.847SS**  trans-64.9127.9160.2-89.9-44.8000111.4
155T33.5Very low32Very low144 Ų144148.8 Ų148.888%0.88385%0.846SS**  trans-147133.3138.1260000110.6
156N31.6Very low32.3Very low168 Ų168147.8 Ų147.890%0.89883%0.834SS**  trans-97.2110.9-172.3-176-5.9000110.5
157A30.4Very low32.6Very low90 Ų90154.4 Ų154.474%0.74484%0.838SS**  trans-150126.9170.600000113.2
158D32.8Very low32.8Very low138 Ų138160.6 Ų160.674%0.73884%0.839SS**  trans49.595.8166.2-91.2-57.6000120.9K160D158-K160 PolarHBondContact O-N 3.16Å
159Q42.7Very low33.2Very low189 Ų189160.6 Ų160.688%0.88383%0.83SS**  trans-66.1117149.5-63.9174.9-0.900111.1
160K38Very low33.8Very low176 Ų176163.6 Ų163.677%0.76582%0.822SS**  trans-156.3144.8148-102.7140.2-168165.40110.9D158D158-K160 PolarHBondContact O-N 3.16Å
161N34.1Very low34.6Very low153 Ų153162.1 Ų162.182%0.81881%0.81SS**  trans63.771.6172.8-59-20.2000117.4
162K33.1Very low35.6Very low213 Ų213160.6 Ų160.693%0.92679%0.788SS**  trans-108.689.2142.1-74.2-172.5177.9-179.50109.4
163K33.8Very low36.4Very low196 Ų196153.3 Ų153.385%0.85275%0.75SS**  trans-60.9137.7156.5-79-177.1176.6178.80106.8V165K163-V165 PolarHBondContact O-N 3.07Å; K163-V165 VanDerWaalsContact O-N 3.1Å
164G29.9Very low37.6Very low80 Ų80148.2 Ų148.283%0.82573%0.725SS**  trans-61.3115-172.800000111.7K166G164-K166 PolarHBondContact O-N 3.1Å; G164-K166 VanDerWaalsContact O-N 3.16Å
165V29.9Very low38.6Very low136 Ų136140.6 Ų140.682%0.82469%0.686SS**  trans-63.7113.2163.7177.30000106.6K163 R167K163-V165 PolarHBondContact O-N 3.07Å; K163-V165 VanDerWaalsContact O-N 3.1Å; V165-R167 PolarHBondContact O-N 3.27Å
166K34.9Very low39.8Very low151 Ų151137 Ų13766%0.65766%0.656SS**PPolyproline II helixtrans-57.3119169.4-131.6177.9-172179.50105.8D133 G164 R168D133-K166 IonicContact OD1-NZ 2.94Å; D133-K166 PolarHBondContact OD1-NZ 3.09Å; D133-K166 IonicContact OD2-NZ 2.7Å; D133-K166 PolarHBondContact OD2-NZ 3.09Å; G164-K166 PolarHBondContact O-N 3.1Å; G164-K166 VanDerWaalsContact O-N 3.16Å; K166-R168 PolarHBondContact O-N 2.91Å
167R35.3Very low41.1Very low238 Ų238130.7 Ų130.790%0.89862%0.621SS**PPolyproline II helixtrans-58.6133.7177-74.2-172.2175.5110.6-3.2108.3V165 R169V165-R167 PolarHBondContact O-N 3.27Å; R167-R169 PolarHBondContact O-N 2.78Å
168R30.9Very low42.7Very low234 Ų234127.5 Ų127.588%0.88359%0.591SS**PPolyproline II helixtrans-48.8126.8167.9-170.2-179.8-173.4-172.14.6107.3K166 E170K166-R168 PolarHBondContact O-N 2.91Å; R168-E170 PolarHBondContact O-N 2.72Å; R168-E170 VanDerWaalsContact O-N 3.11Å
169R38.3Very low44.1Very low204 Ų204122 Ų12277%0.7756%0.56SS**  trans-73.1105178.9-177.4177.4179.1177.6-3.2107.5R167R167-R169 PolarHBondContact O-N 2.78Å
170E38.1Very low44.9Very low143 Ų143115.3 Ų115.367%0.66853%0.53SS*.  trans-59.4139.1174.1-72.5161.4-172.900110.2R168 H172R168-E170 PolarHBondContact O-N 2.72Å; R168-E170 VanDerWaalsContact O-N 3.11Å; E170-H172 PolarHBondContact O-N 3.02Å; E170-H172 IonicContact OE2-CE1 2.8Å
171E44Very low46.1Very low139 Ų139107.2 Ų107.265%0.6550%0.495SS*.  trans-71.7111.7172.6-67-154.5127.900109.1Q478E171-Q478 PolarHBondContact OE1-NE2 3.07Å
172H53.8Low47.4Very low56 Ų56100.3 Ų100.326%0.25946%0.457SS..  trans-93.7133-178.3-61.8-42.8000111.8E170 Y176E170-H172 PolarHBondContact O-N 3.02Å; E170-H172 IonicContact OE2-CE1 2.8Å; H172-Y176 HydrophobicContact CB-CD1 3.4Å; H172-Y176 VanDerWaalsContact CB-CD1 3.4Å; H172-Y176 HydrophobicContact CB-CE1 4.09Å; H172-Y176 HydrophobicContact CB-CG 3.76Å; H172-Y176 AromaticContact CD2-CD1 3.58Å; H172-Y176 AromaticContact CD2-CE1 3.28Å; H172-Y176 WeakPolarHBondContact CD2-CE1 3.42Å; H172-Y176 AromaticContact CD2-CZ 3.82Å; H172-Y176 AromaticContact CG-CD1 3.74Å; H172-Y176 AromaticContact CG-CE1 3.93Å
173G52.2Low48.5Very low5 Ų593.8 Ų93.85%0.05243%0.433CS..  trans-60.9160.1178.700000114.5G175 Y176G173-G175 VanDerWaalsContact C-N 3.29Å; G173-G175 PolarHBondContact O-N 2.87Å; G173-G175 VanDerWaalsContact O-N 3.08Å; G173-Y176 VanDerWaalsContact O-CB 3.26Å; G173-Y176 WeakPolarHBondContact O-CB 3.24Å; G173-Y176 PolarHBondContact O-N 3.49Å
174R57Low49.7Very low96 Ų9690 Ų9036%0.36242%0.416SS..Hα-helixtrans-48.8-42.6-170-61.9175.6-173.1-11121.3114.4Y176 F177 E178 D452R174-Y176 PolarHBondContact O-N 2.9Å; R174-Y176 VanDerWaalsContact O-N 3.15Å; R174-F177 PolarHBondContact O-N 2.87Å; R174-E178 PolarHBondContact O-N 2.81Å; R174-D452 IonicContact CZ-OD1 3.62Å; R174-D452 IonicContact NE-OD1 2.82Å; R174-D452 IonicContact NH1-OD1 3.66Å; R174-D452 PolarHBondContact NH1-OD1 3.34Å; R174-D452 IonicContact NH2-OD1 3.96Å; R174-D452 PolarHBondContact NH2-OD1 2.91Å
175G55.3Low50.8Low4 Ų489.2 Ų89.24%0.04139%0.389CS..Hα-helixtrans-58-28.6179.100000113.8G173 E178 F179 M557G173-G175 VanDerWaalsContact C-N 3.29Å; G173-G175 PolarHBondContact O-N 2.87Å; G173-G175 VanDerWaalsContact O-N 3.08Å; G175-E178 PolarHBondContact O-N 2.91Å; G175-F179 WeakPolarHBondContact O-CB 3.48Å; G175-F179 PolarHBondContact O-N 2.95Å; G175-M557 WeakPolarHBondContact O-CE 3.48Å
176Y59.1Low51.7Low69 Ų6986 Ų8627%0.27137%0.372SS..Hα-helixtrans-67.4-36.4175.4-178.6-105.7000112.8H172 G173 R174 F179 I180 A553H172-Y176 HydrophobicContact CB-CD1 3.4Å; H172-Y176 VanDerWaalsContact CB-CD1 3.4Å; H172-Y176 HydrophobicContact CB-CE1 4.09Å; H172-Y176 HydrophobicContact CB-CG 3.76Å; H172-Y176 AromaticContact CD2-CD1 3.58Å; H172-Y176 AromaticContact CD2-CE1 3.28Å; H172-Y176 WeakPolarHBondContact CD2-CE1 3.42Å; H172-Y176 AromaticContact CD2-CZ 3.82Å; H172-Y176 AromaticContact CG-CD1 3.74Å; H172-Y176 AromaticContact CG-CE1 3.93Å; G173-Y176 VanDerWaalsContact O-CB 3.26Å; G173-Y176 WeakPolarHBondContact O-CB 3.24Å; G173-Y176 PolarHBondContact O-N 3.49Å; R174-Y176 PolarHBondContact O-N 2.9Å; R174-Y176 VanDerWaalsContact O-N 3.15Å; Y176-F179 HydrophobicContact CD2-CD1 4.22Å; Y176-F179 HydrophobicContact CE2-CD1 4.28Å; Y176-F179 WeakPolarHBondContact O-CB 3.48Å; Y176-F179 PolarHBondContact O-N 2.95Å; Y176-I180 HydrophobicContact CD1-CD1 3.87Å; Y176-I180 HydrophobicContact CE1-CD1 3.37Å; Y176-I180 HydrophobicContact CE1-CG1 4.27Å; Y176-I180 WeakPolarHBondContact O-CG1 3.44Å; Y176-I180 PolarHBondContact O-N 3.33Å; Y176-A553 HydrophobicContact CD2-CB 4.09Å
177F59.4Low51.9Low34 Ų3483.9 Ų83.915%0.14938%0.376CS..Hα-helixtrans-71.8-40.3176-76-88.2000111.8R174 F179 I180 E181 Q478 P481R174-F177 PolarHBondContact O-N 2.87Å; F177-F179 VanDerWaalsContact C-N 3.3Å; F177-F179 PolarHBondContact O-N 3.08Å; F177-I180 PolarHBondContact O-N 3.05Å; F177-I180 VanDerWaalsContact O-N 3.16Å; F177-E181 PolarHBondContact O-N 3.07Å; F177-Q478 HydrophobicContact CZ-CB 4.33Å; F177-P481 HydrophobicContact CB-CB 4.23Å; F177-P481 HydrophobicContact CB-CG 3.98Å
178E64.7Low52.2Low24 Ų2475 Ų7511%0.11235%0.353CS..Hα-helixtrans-58.4-43171-61.8-170.6-163.900111.1R174 G175 I180 E181 E182 H502 T503R174-E178 PolarHBondContact O-N 2.81Å; G175-E178 PolarHBondContact O-N 2.91Å; E178-I180 PolarHBondContact O-N 3.16Å; E178-E181 WeakPolarHBondContact O-CB 3.16Å; E178-E181 PolarHBondContact O-N 3.11Å; E178-E182 PolarHBondContact O-N 3.4Å; E178-H502 WeakPolarHBondContact CB-NE2 3.25Å; E178-H502 WeakPolarHBondContact CG-NE2 3.45Å; E178-H502 IonicContact OE2-CD2 3.59Å; E178-H502 IonicContact OE2-CE1 3.9Å; E178-H502 IonicContact OE2-CG 2.73Å; E178-H502 IonicContact OE2-ND1 2.85Å; E178-H502 IonicContact OE2-NE2 2.69Å; E178-T503 VanDerWaalsContact OE2-CB 3.24Å; E178-T503 WeakPolarHBondContact OE2-CB 3.15Å; E178-T503 WeakPolarHBondContact OE2-CG2 3.46Å; E178-T503 PolarHBondContact OE2-N 3.13Å; E178-T503 VanDerWaalsContact OE2-N 3.07Å; E178-T503 PolarHBondContact OE2-OG1 3.02Å
179F60.9Low52.8Low22 Ų2267.8 Ų67.810%0.09634%0.339CS..Hα-helixtrans-60-42.5173.1161.6-103.2000113G175 Y176 F177 E181 N183 K556 M557 F560G175-F179 WeakPolarHBondContact O-CB 3.48Å; G175-F179 PolarHBondContact O-N 2.95Å; Y176-F179 HydrophobicContact CD2-CD1 4.22Å; Y176-F179 HydrophobicContact CE2-CD1 4.28Å; Y176-F179 WeakPolarHBondContact O-CB 3.48Å; Y176-F179 PolarHBondContact O-N 2.95Å; F177-F179 VanDerWaalsContact C-N 3.3Å; F177-F179 PolarHBondContact O-N 3.08Å; F179-E181 VanDerWaalsContact C-N 3.3Å; F179-E181 PolarHBondContact O-N 2.78Å; F179-N183 HydrophobicContact CE2-CB 4.3Å; F179-N183 HydrophobicContact CZ-CB 4.48Å; F179-N183 WeakPolarHBondContact O-CB 3.32Å; F179-N183 PolarHBondContact O-N 3.46Å; F179-K556 HydrophobicContact CE2-CB 4.09Å; F179-K556 HydrophobicContact CE2-CD 4.29Å; F179-K556 HydrophobicContact CZ-CB 4.48Å; F179-K556 HydrophobicContact CZ-CD 3.87Å; F179-M557 HydrophobicContact CB-CE 3.66Å; F179-F560 AromaticContact CD2-CE1 3.75Å; F179-F560 HydrophobicContact CD2-CE1 3.75Å; F179-F560 AromaticContact CD2-CZ 3.9Å; F179-F560 HydrophobicContact CD2-CZ 3.9Å; F179-F560 AromaticContact CE2-CE1 3.77Å; F179-F560 HydrophobicContact CE2-CE1 3.77Å; F179-F560 HydrophobicContact CE2-CZ 4.34Å
180I59.9Low53Low48 Ų4868.8 Ų68.825%0.24635%0.349CS..Hα-helixtrans-61.9-40.3175.2-74.3171.5000110.8Y176 F177 E178 K184Y176-I180 HydrophobicContact CD1-CD1 3.87Å; Y176-I180 HydrophobicContact CE1-CD1 3.37Å; Y176-I180 HydrophobicContact CE1-CG1 4.27Å; Y176-I180 WeakPolarHBondContact O-CG1 3.44Å; Y176-I180 PolarHBondContact O-N 3.33Å; F177-I180 PolarHBondContact O-N 3.05Å; F177-I180 VanDerWaalsContact O-N 3.16Å; E178-I180 PolarHBondContact O-N 3.16Å; I180-K184 HydrophobicContact CG2-CD 4.17Å; I180-K184 VanDerWaalsContact O-CG 3.27Å; I180-K184 WeakPolarHBondContact O-CG 3.44Å; I180-K184 PolarHBondContact O-N 3.37Å
181E62.7Low53.5Low7 Ų770.4 Ų70.43%0.03335%0.354CS..Hα-helixtrans-64.3-53.4177.3-140.4-156.8155.900111F177 E178 F179 N183 K184 Y185 H502F177-E181 PolarHBondContact O-N 3.07Å; E178-E181 WeakPolarHBondContact O-CB 3.16Å; E178-E181 PolarHBondContact O-N 3.11Å; F179-E181 VanDerWaalsContact C-N 3.3Å; F179-E181 PolarHBondContact O-N 2.78Å; E181-N183 VanDerWaalsContact C-N 3.28Å; E181-N183 PolarHBondContact O-N 2.87Å; E181-K184 WeakPolarHBondContact O-CB 3.38Å; E181-K184 PolarHBondContact O-N 3Å; E181-K184 VanDerWaalsContact O-N 3.13Å; E181-Y185 HydrophobicContact CB-CE2 4.3Å; E181-Y185 HydrophobicContact CG-CD2 4.49Å; E181-Y185 HydrophobicContact CG-CE2 3.59Å; E181-Y185 WeakPolarHBondContact O-CD2 3.37Å; E181-Y185 PolarHBondContact O-N 2.73Å; E181-Y185 VanDerWaalsContact O-N 3.13Å; E181-Y185 WeakPolarHBondContact OE1-CE2 3.23Å; E181-Y185 PolarHBondContact OE1-OH 3.47Å; E181-H502 IonicContact OE2-NE2 3.68Å
182E61.4Low53.8Low7 Ų767.1 Ų67.13%0.03335%0.346CS..Hα-helixtrans-57.8-39.5177.4-71.1-156.6-170.900112.3E178 Y185 S186 H502 N504 L505 S506E178-E182 PolarHBondContact O-N 3.4Å; E182-Y185 CarbonylContact O-C 3.42Å; E182-Y185 PolarHBondContact O-N 3.31Å; E182-Y185 VanDerWaalsContact O-N 3.14Å; E182-S186 PolarHBondContact O-N 2.75Å; E182-H502 IonicContact OE1-CE1 2.99Å; E182-H502 IonicContact OE1-ND1 3.71Å; E182-N504 WeakPolarHBondContact OE1-CA 3.41Å; E182-N504 PolarHBondContact OE1-N 3.48Å; E182-L505 PolarHBondContact OE1-N 3.32Å; E182-L505 PolarHBondContact OE2-N 3.3Å; E182-S506 PolarHBondContact OE2-N 3.35Å; E182-S506 VanDerWaalsContact OE2-N 3.07Å; E182-S506 PolarHBondContact OE2-OG 3.35Å
183N56.9Low54.2Low77 Ų7766.2 Ų66.241%0.41235%0.345SS..Hα-helixtrans-74.2-28.8179.1-161.927.5000113.3F179 E181 Y185 S186F179-N183 HydrophobicContact CE2-CB 4.3Å; F179-N183 HydrophobicContact CZ-CB 4.48Å; F179-N183 WeakPolarHBondContact O-CB 3.32Å; F179-N183 PolarHBondContact O-N 3.46Å; E181-N183 VanDerWaalsContact C-N 3.28Å; E181-N183 PolarHBondContact O-N 2.87Å; N183-Y185 PolarHBondContact O-N 2.8Å; N183-S186 PolarHBondContact O-N 2.99Å; N183-S186 PolarHBondContact O-OG 2.94Å; N183-S186 PolarHBondContact OD1-OG 3.33Å
184K58.8Low54.5Low115 Ų11572 Ų7250%0.538%0.379SS..Hα-helixtrans-62.4-36.5166.7-75.5165.7179.8174.30110.9I180 E181 A188I180-K184 HydrophobicContact CG2-CD 4.17Å; I180-K184 VanDerWaalsContact O-CG 3.27Å; I180-K184 WeakPolarHBondContact O-CG 3.44Å; I180-K184 PolarHBondContact O-N 3.37Å; E181-K184 WeakPolarHBondContact O-CB 3.38Å; E181-K184 PolarHBondContact O-N 3Å; E181-K184 VanDerWaalsContact O-N 3.13Å; K184-A188 WeakPolarHBondContact O-CB 3.44Å; K184-A188 PolarHBondContact O-N 2.96Å
185Y54.2Low54.7Low65 Ų6570 Ų7026%0.25538%0.379SS..Hα-helixtrans-79.8-23.9179-57.5-42.6000114.4E181 E182 N183 C187E181-Y185 HydrophobicContact CB-CE2 4.3Å; E181-Y185 HydrophobicContact CG-CD2 4.49Å; E181-Y185 HydrophobicContact CG-CE2 3.59Å; E181-Y185 WeakPolarHBondContact O-CD2 3.37Å; E181-Y185 PolarHBondContact O-N 2.73Å; E181-Y185 VanDerWaalsContact O-N 3.13Å; E181-Y185 WeakPolarHBondContact OE1-CE2 3.23Å; E181-Y185 PolarHBondContact OE1-OH 3.47Å; E182-Y185 CarbonylContact O-C 3.42Å; E182-Y185 PolarHBondContact O-N 3.31Å; E182-Y185 VanDerWaalsContact O-N 3.14Å; N183-Y185 PolarHBondContact O-N 2.8Å; Y185-C187 VanDerWaalsContact C-N 3.26Å; Y185-C187 PolarHBondContact O-N 2.88Å
186S47.8Very low55.2Low67 Ų6771.1 Ų71.147%0.46939%0.385SS..Hα-helixtrans-63.4-32.1173820000112.7E182 N183E182-S186 PolarHBondContact O-N 2.75Å; N183-S186 PolarHBondContact O-N 2.99Å; N183-S186 PolarHBondContact O-OG 2.94Å; N183-S186 PolarHBondContact OD1-OG 3.33Å
187C39.6Very low55.2Low108 Ų10875.5 Ų75.573%0.7341%0.412SS*.Hα-helixtrans-102.7-16.3-171.5-69.70000114.8Y185Y185-C187 VanDerWaalsContact C-N 3.26Å; Y185-C187 PolarHBondContact O-N 2.88Å
188A41Very low55.2Low51 Ų5180.6 Ų80.642%0.42144%0.436SS..SBendtrans-102.8100.9-170.800000113.9K184K184-A188 WeakPolarHBondContact O-CB 3.44Å; K184-A188 PolarHBondContact O-N 2.96Å
189S44.1Very low55Low83 Ų8383.3 Ų83.358%0.5845%0.449SS*.  trans59.6107.8160.1174.20000117.6K191S189-K191 PolarHBondContact O-N 2.83Å; S189-K191 PolarHBondContact OG-N 2.82Å
190F42.2Very low54.8Low225 Ų22591.3 Ų91.399%0.98749%0.487SS*.SBendtrans-58.58.4169.4-88.7-88.7000116.8
191K47.8Very low54.7Low177 Ų17793.1 Ų93.177%0.7750%0.497SS*.  trans-90.4106.8173.5-64.6-177179.4-178.70108.9S189S189-K191 PolarHBondContact O-N 2.83Å; S189-K191 PolarHBondContact OG-N 2.82Å
192S50.3Low54.6Low69 Ų6998.1 Ų98.148%0.48352%0.521SS..PPolyproline II helixtrans-51.7139.6168.7-58.80000110.1V194S192-V194 PolarHBondContact O-N 2.84Å
193P62.3Low54.5Low37 Ų37107.6 Ų107.624%0.2457%0.565CS.*PPolyproline II helixtrans-59.5138.5169.827.1-33.4000108.9R512 L516P193-R512 HydrophobicContact CG-CG 4.25Å; P193-L516 HydrophobicContact CB-CD2 3.74Å; P193-L516 HydrophobicContact CG-CD2 3.67Å; P193-L516 HydrophobicContact CG-CG 4.02Å
194V59.6Low54.9Low126 Ų126106.5 Ų106.576%0.76456%0.562SS**PPolyproline II helixtrans-68.5135.5172.2-175.80000107.1S192S192-V194 PolarHBondContact O-N 2.84Å
195P61.8Low55.8Low56 Ų56105.3 Ų105.336%0.36456%0.561SS.*PPolyproline II helixtrans-51.3138.5172-25.834.3000110.1A518P195-A518 HydrophobicContact CB-CB 4.07Å; P195-A518 HydrophobicContact CG-CB 3.69Å
196P65.1Low57Low27 Ų27107 Ų10718%0.17557%0.572CS.*PPolyproline II helixtrans-53.2146.7173.5-25.634.7000111.3E198 A492 R493P196-E198 PolarHBondContact O-N 3.47Å; P196-A492 HydrophobicContact CG-CB 4.4Å; P196-R493 HydrophobicContact CB-CG 3.58Å; P196-R493 HydrophobicContact CG-CG 3.82Å
197L59.5Low58.8Low161 Ų161107 Ų10784%0.84357%0.569SS**PPolyproline II helixtrans-60.1138.3165.3-70.5172.4000108.4E199L197-E199 PolarHBondContact O-N 3.32Å
198E59.4Low61.3Low140 Ų140102.9 Ų102.965%0.65454%0.54SS*.PPolyproline II helixtrans-72.4124.3179-61.7-175.1165.200108.4P196 K415P196-E198 PolarHBondContact O-N 3.47Å; E198-K415 WeakPolarHBondContact OE1-CD 3.46Å; E198-K415 WeakPolarHBondContact OE1-CE 3.47Å; E198-K415 IonicContact OE1-NZ 3.62Å; E198-K415 PolarHBondContact OE1-NZ 2.87Å
199E59.7Low63.8Low82 Ų82100.4 Ų100.438%0.38352%0.52SS..PPolyproline II helixtrans-80.2125.8170.4-68.1166.7-144.400106.1L197 D201 R493 W801L197-E199 PolarHBondContact O-N 3.32Å; E199-D201 PolarHBondContact O-N 3Å; E199-D201 VanDerWaalsContact O-N 3.16Å; E199-R493 WeakPolarHBondContact OE1-CD 3.39Å; E199-R493 IonicContact OE1-NH1 3.73Å; E199-R493 PolarHBondContact OE1-NH1 3.25Å; E199-W801 HydrophobicContact CG-CH2 4.38Å; E199-W801 HydrophobicContact CG-CZ2 4.17Å; E199-W801 WeakPolarHBondContact OE1-CZ2 3.43Å; E199-W801 WeakPolarHBondContact OE2-CH2 3.34Å
200E56Low66.2Low189 Ų18996.5 Ų96.588%0.88349%0.493SS*.  trans-68.3111.3176.8-69.7176.9175.400108.1E202E200-E202 PolarHBondContact O-N 2.82Å; E200-E202 VanDerWaalsContact O-N 3.12Å
201D57.8Low68.7Low87 Ų8786 Ų8647%0.46545%0.447SS..  trans-63112.7169.2-63-61.6000107.9E199 E203 K495E199-D201 PolarHBondContact O-N 3Å; E199-D201 VanDerWaalsContact O-N 3.16Å; D201-E203 PolarHBondContact O-N 3.38Å; D201-K495 VanDerWaalsContact OD2-CD 3.23Å; D201-K495 WeakPolarHBondContact OD2-CD 3.37Å; D201-K495 WeakPolarHBondContact OD2-CE 3.45Å; D201-K495 IonicContact OD2-NZ 3.97Å; D201-K495 PolarHBondContact OD2-NZ 2.96Å
202E62.3Low70.8Confident112 Ų11278 Ų7852%0.52341%0.412SS..  trans-60.5124176.4-68.3178.2-179.300109E200 C204 R224E200-E202 PolarHBondContact O-N 2.82Å; E200-E202 VanDerWaalsContact O-N 3.12Å; E202-C204 PolarHBondContact O-N 2.83Å; E202-C204 VanDerWaalsContact O-N 3.09Å; E202-R224 WeakPolarHBondContact OE1-CD 3.09Å; E202-R224 IonicContact OE1-CZ 3.57Å; E202-R224 IonicContact OE1-NE 3.61Å; E202-R224 IonicContact OE1-NH1 2.63Å; E202-R224 PolarHBondContact OE1-NH1 2.91Å
203E59.6Low72.7Confident206 Ų20677.7 Ų77.796%0.96341%0.408SS*.  trans-58.8114.3176.7-73.6-176.8171.500109.2D201D201-E203 PolarHBondContact O-N 3.38Å
204C64.2Low73.9Confident53 Ų5377.2 Ų77.236%0.35840%0.402SS..  trans-109135.1178.3-1650000110.7E202 E206 R226E202-C204 PolarHBondContact O-N 2.83Å; E202-C204 VanDerWaalsContact O-N 3.09Å; C204-E206 PolarHBondContact O-N 2.94Å; C204-R226 VanDerWaalsContact CB-CZ 3.42Å; C204-R226 VanDerWaalsContact CB-NH2 3.34Å; C204-R226 PolarHBondContact SG-NH2 3.19Å
205D77.4Confident75.5Confident90 Ų9072 Ų7248%0.48137%0.369SS..  trans-53.2118.6179-178.1-14.2000110.8T207 T208D205-T207 PolarHBondContact O-N 2.86Å; D205-T207 VanDerWaalsContact O-N 3.13Å; D205-T207 WeakPolarHBondContact OD1-CB 3.33Å; D205-T207 WeakPolarHBondContact OD1-CG2 3.48Å; D205-T207 PolarHBondContact OD1-N 3.29Å; D205-T207 PolarHBondContact OD1-OG1 2.82Å; D205-T207 PolarHBondContact OD2-OG1 2.98Å; D205-T208 HydrophobicContact CB-CG2 3.87Å; D205-T208 PolarHBondContact O-N 3.03Å; D205-T208 VanDerWaalsContact O-N 3.16Å; D205-T208 PolarHBondContact O-OG1 3.45Å
206E80.7Confident76.9Confident101 Ų10169.4 Ų69.447%0.47235%0.353SS..THydrogen-bonded Turntrans-61-22.8-178-62-150.3142.400112.8C204 T208 Y248 R407 K410C204-E206 PolarHBondContact O-N 2.94Å; E206-T208 VanDerWaalsContact C-N 3.32Å; E206-T208 PolarHBondContact O-N 2.79Å; E206-Y248 VanDerWaalsContact O-CE2 3.23Å; E206-Y248 WeakPolarHBondContact O-CE2 3.24Å; E206-Y248 PolarHBondContact O-OH 3.42Å; E206-R407 PolarHBondContact O-NH1 3.48Å; E206-K410 IonicContact OE1-NZ 2.67Å; E206-K410 PolarHBondContact OE1-NZ 3.47Å; E206-K410 IonicContact OE2-NZ 3.72Å; E206-K410 PolarHBondContact OE2-NZ 2.9Å
207T84.9Confident78.3Confident66 Ų6668.1 Ų68.141%0.40534%0.344SS..THydrogen-bonded Turntrans-80.5-8.3-178.871.40000114.2D205 R405D205-T207 PolarHBondContact O-N 2.86Å; D205-T207 VanDerWaalsContact O-N 3.13Å; D205-T207 WeakPolarHBondContact OD1-CB 3.33Å; D205-T207 WeakPolarHBondContact OD1-CG2 3.48Å; D205-T207 PolarHBondContact OD1-N 3.29Å; D205-T207 PolarHBondContact OD1-OG1 2.82Å; D205-T207 PolarHBondContact OD2-OG1 2.98Å; T207-R405 PolarHBondContact O-NH1 3.33Å
208T90.7Very high79.8Confident22 Ų2260.6 Ų60.614%0.13531%0.305CS..  trans-88.1142.1-177.462.30000112.9D205 E206 T247 Y248D205-T208 HydrophobicContact CB-CG2 3.87Å; D205-T208 PolarHBondContact O-N 3.03Å; D205-T208 VanDerWaalsContact O-N 3.16Å; D205-T208 PolarHBondContact O-OG1 3.45Å; E206-T208 VanDerWaalsContact C-N 3.32Å; E206-T208 PolarHBondContact O-N 2.79Å; T208-T247 PolarHBondContact O-OG1 2.61Å; T208-Y248 WeakPolarHBondContact O-CD2 3.42Å; T208-Y248 WeakPolarHBondContact O-CE2 3.35Å
209V94.4Very high81.3Confident0 Ų054 Ų540%027%0.274CS..  trans-93.3107.9168.7-171.20000108.2Y227 Y248 F380 L397 Q398 R405V209-Y227 WeakPolarHBondContact O-CE1 3.41Å; V209-Y248 HydrophobicContact CG2-CD2 3.93Å; V209-Y248 HydrophobicContact CG2-CG 4.26Å; V209-F380 HydrophobicContact CB-CB 4.06Å; V209-F380 HydrophobicContact CB-CG 4.39Å; V209-F380 HydrophobicContact CG1-CB 3.9Å; V209-F380 HydrophobicContact CG1-CD1 3.93Å; V209-F380 HydrophobicContact CG1-CD2 4.37Å; V209-F380 HydrophobicContact CG1-CG 3.8Å; V209-F380 VanDerWaalsContact O-CD2 3.24Å; V209-F380 WeakPolarHBondContact O-CD2 3.42Å; V209-L397 HydrophobicContact CB-CB 4.49Å; V209-L397 HydrophobicContact CG1-CB 4.01Å; V209-L397 HydrophobicContact CG1-CD1 4.37Å; V209-L397 HydrophobicContact CG2-CB 4.26Å; V209-Q398 HydrophobicContact CB-CB 4.49Å; V209-R405 VanDerWaalsContact CG2-NH1 3.28Å
210C94.9Very high82.9Confident0 Ų050.2 Ų50.20%026%0.256CS..  trans-147.6177.8175.950.20000109.9D212 R226 Y227 T247C210-D212 PolarHBondContact O-N 3.35Å; C210-R226 HydrophobicContact CB-CB 3.84Å; C210-R226 VanDerWaalsContact SG-CZ 3.57Å; C210-R226 PolarHBondContact SG-NE 3.44Å; C210-R226 PolarHBondContact SG-NH2 2.77Å; C210-Y227 HydrophobicContact CB-CD1 4.11Å; C210-Y227 HydrophobicContact CB-CE1 3.59Å; C210-T247 PolarHBondContact N-OG1 3.14Å; C210-T247 WeakPolarHBondContact O-CB 3.1Å; C210-T247 WeakPolarHBondContact O-CG2 3.45Å; C210-T247 PolarHBondContact O-N 3.03Å; C210-T247 PolarHBondContact O-OG1 3.48Å
211L94.8Very high84.7Confident4 Ų447.4 Ų47.42%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-63134.5177.3-66.1175.3000111.5F220 V222 R226 A229 F378 F380L211-F220 HydrophobicContact CD1-CE1 4.46Å; L211-V222 HydrophobicContact CB-CG1 3.96Å; L211-V222 HydrophobicContact CD1-CG1 4.16Å; L211-R226 VanDerWaalsContact CB-O 3.28Å; L211-R226 WeakPolarHBondContact CB-O 3.43Å; L211-R226 WeakPolarHBondContact CG-O 3.06Å; L211-R226 PolarHBondContact N-O 3.27Å; L211-A229 HydrophobicContact CD1-CB 3.66Å; L211-F378 HydrophobicContact CD1-CD2 3.79Å; L211-F378 HydrophobicContact CD1-CE2 3.88Å; L211-F378 HydrophobicContact CD2-CD2 3.95Å; L211-F378 HydrophobicContact CD2-CE2 3.9Å; L211-F378 HydrophobicContact CD2-CG 4.47Å; L211-F378 HydrophobicContact CD2-CZ 4.39Å; L211-F378 HydrophobicContact CG-CD2 4.04Å; L211-F378 HydrophobicContact CG-CE2 4.32Å; L211-F380 HydrophobicContact CD2-CZ 4.23Å
212D92.1Very high86.3Confident9 Ų944.6 Ų44.65%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-83.7119.2-177.1-163.4-37.5000111.1C210 Y214 N215 C216 K245 T247C210-D212 PolarHBondContact O-N 3.35Å; D212-Y214 VanDerWaalsContact C-N 3.27Å; D212-Y214 PolarHBondContact O-N 3.11Å; D212-Y214 WeakPolarHBondContact OD1-CA 3.48Å; D212-Y214 VanDerWaalsContact OD1-CB 3.26Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.28Å; D212-Y214 PolarHBondContact OD1-N 3.27Å; D212-N215 HydrophobicContact CB-CB 3.93Å; D212-N215 PolarHBondContact OD1-N 3.49Å; D212-N215 PolarHBondContact OD2-ND2 2.74Å; D212-C216 VanDerWaalsContact O-CB 3.28Å; D212-C216 WeakPolarHBondContact O-CB 3.48Å; D212-C216 PolarHBondContact O-SG 2.9Å; D212-K245 VanDerWaalsContact CB-O 3.27Å; D212-K245 WeakPolarHBondContact CB-O 3.24Å; D212-K245 PolarHBondContact N-O 3.49Å; D212-T247 HydrophobicContact CB-CG2 3.73Å
213T88.8Confident87.7Confident63 Ų6340.7 Ų40.739%0.38721%0.212SC..EExtended strand (participates in β ladder)trans-77.3-10.8177.350.30000113.4V222 R496T213-V222 HydrophobicContact CG2-CB 4.49Å; T213-V222 HydrophobicContact CG2-CG1 4.43Å; T213-R496 PolarHBondContact O-NE 3.45Å; T213-R496 PolarHBondContact O-NH2 3.12Å
214Y89.3Confident89.1Confident28 Ų2840.1 Ų40.111%0.1120%0.201CC..EExtended strand (participates in β ladder)trans-90.7-52.9168.9-174.5-100.8000111D212 C216 L409 K445 R496D212-Y214 VanDerWaalsContact C-N 3.27Å; D212-Y214 PolarHBondContact O-N 3.11Å; D212-Y214 WeakPolarHBondContact OD1-CA 3.48Å; D212-Y214 VanDerWaalsContact OD1-CB 3.26Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.28Å; D212-Y214 PolarHBondContact OD1-N 3.27Å; Y214-C216 PolarHBondContact O-N 3.28Å; Y214-L409 WeakPolarHBondContact CD1-O 3.33Å; Y214-L409 HydrophobicContact CE1-CB 4.4Å; Y214-K445 PolarHBondContact OH-O 3.26Å; Y214-R496 HydrophobicContact CD2-CB 4.2Å; Y214-R496 HydrophobicContact CD2-CG 3.7Å; Y214-R496 HydrophobicContact CE2-CB 3.72Å; Y214-R496 HydrophobicContact CE2-CG 3.76Å; Y214-R496 PolarHBondContact O-NE 3.36Å; Y214-R496 PolarHBondContact O-NH1 2.68Å; Y214-R496 PolarHBondContact O-NH2 3.28Å
215N91.4Very high90.2Very high16 Ų1641.9 Ų41.99%0.08621%0.207CC..EExtended strand (participates in β ladder)trans-84.449.9-178-61.1-58000112.9D212 K245 L291 L409D212-N215 HydrophobicContact CB-CB 3.93Å; D212-N215 PolarHBondContact OD1-N 3.49Å; D212-N215 PolarHBondContact OD2-ND2 2.74Å; N215-K245 HydrophobicContact CB-CB 4.27Å; N215-K245 PolarHBondContact O-N 3.31Å; N215-L291 WeakPolarHBondContact O-CD2 3.3Å; N215-L409 PolarHBondContact ND2-O 3.15Å
216C92.5Very high90.9Very high2 Ų239 Ų391%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-145.6163.4175.770.40000112.9D212 Y214 F220 G243 R496D212-C216 VanDerWaalsContact O-CB 3.28Å; D212-C216 WeakPolarHBondContact O-CB 3.48Å; D212-C216 PolarHBondContact O-SG 2.9Å; Y214-C216 PolarHBondContact O-N 3.28Å; C216-F220 HydrophobicContact CB-CD1 4.02Å; C216-G243 CarbonylContact C-O 3.57Å; C216-G243 WeakPolarHBondContact CA-O 3.4Å; C216-G243 WeakPolarHBondContact CB-O 3.27Å; C216-R496 PolarHBondContact O-NH1 3.41Å; C216-R496 PolarHBondContact O-NH2 2.95Å; C216-R496 PolarHBondContact SG-NH2 2.63Å
217D93.8Very high91.6Very high0 Ų036.3 Ų36.30%018%0.175CC..  trans-68.4151.5-179.1-83-26.1000113.1H219 F220 S242 G243 L291 Y447 K457D217-H219 PolarHBondContact O-N 3.11Å; D217-H219 IonicContact OD2-CE1 2.71Å; D217-F220 HydrophobicContact CB-CB 3.99Å; D217-F220 PolarHBondContact O-N 2.96Å; D217-F220 VanDerWaalsContact O-N 3.14Å; D217-S242 WeakPolarHBondContact OD2-CA 3.37Å; D217-G243 PolarHBondContact N-O 2.54Å; D217-G243 PolarHBondContact OD2-N 2.81Å; D217-L291 VanDerWaalsContact OD1-CD1 3.25Å; D217-L291 WeakPolarHBondContact OD1-CD1 3.35Å; D217-Y447 PolarHBondContact OD1-OH 2.76Å; D217-K457 WeakPolarHBondContact OD1-CE 3.12Å; D217-K457 IonicContact OD1-NZ 2.72Å; D217-K457 PolarHBondContact OD1-NZ 3.45Å; D217-K457 IonicContact OD2-NZ 2.63Å; D217-K457 PolarHBondContact OD2-NZ 3.33Å
218L91.5Very high92.1Very high3 Ų335 Ų352%0.01617%0.169CC..THydrogen-bonded Turntrans-61.2-35179.9-67.5178.5000112.4Y447 L449 F487 I490 A491 K494 Y498L218-Y447 HydrophobicContact CD1-CD1 4.04Å; L218-Y447 HydrophobicContact CD1-CE1 3.61Å; L218-Y447 HydrophobicContact CG-CD1 4.3Å; L218-Y447 HydrophobicContact CG-CE1 3.77Å; L218-Y447 HydrophobicContact CG-CE2 4.27Å; L218-Y447 PolarHBondContact N-OH 3.03Å; L218-L449 HydrophobicContact CD1-CD2 3.65Å; L218-F487 HydrophobicContact CB-CD1 4.17Å; L218-F487 HydrophobicContact CB-CE1 4.27Å; L218-F487 HydrophobicContact CD1-CD1 4.08Å; L218-I490 HydrophobicContact CB-CG2 3.98Å; L218-A491 HydrophobicContact CD1-CB 3.82Å; L218-K494 HydrophobicContact CD2-CD 3.75Å; L218-K494 PolarHBondContact O-NZ 3.35Å; L218-Y498 HydrophobicContact CD1-CE1 4.11Å; L218-Y498 HydrophobicContact CD2-CE1 4.08Å; L218-Y498 WeakPolarHBondContact CD2-OH 3.22Å
219H90.8Very high92.3Very high1 Ų134.2 Ų34.21%0.00517%0.165CC..THydrogen-bonded Turntrans-96.38.9178.462.8-59.9000114.1D217 L232 F237 W241 F487D217-H219 PolarHBondContact O-N 3.11Å; D217-H219 IonicContact OD2-CE1 2.71Å; H219-L232 HydrophobicContact CB-CB 4.26Å; H219-L232 HydrophobicContact CB-CD1 4Å; H219-L232 PolarHBondContact O-N 2.94Å; H219-F237 HydrophobicContact CB-CD1 3.66Å; H219-F237 HydrophobicContact CB-CE1 3.74Å; H219-W241 PolarHBondContact CE1-O 3.24Å; H219-W241 PolarHBondContact NE2-O 3.42Å; H219-F487 HydrophobicContact CB-CE1 4.45Å; H219-F487 HydrophobicContact CB-CZ 4.44Å; H219-F487 AromaticContact CG-CZ 3.95Å; H219-F487 AromaticContact ND1-CE1 3.44Å; H219-F487 WeakPolarHBondContact ND1-CE1 3.3Å; H219-F487 AromaticContact ND1-CZ 3.59Å
220F93.8Very high92.3Very high2 Ų235.5 Ų35.51%0.00917%0.174CC..EExtended strand (participates in β ladder)trans-86.4116.5165-166.4-125.6000108.7L211 C216 D217 V222 A229 S242 V369 C371L211-F220 HydrophobicContact CD1-CE1 4.46Å; C216-F220 HydrophobicContact CB-CD1 4.02Å; D217-F220 HydrophobicContact CB-CB 3.99Å; D217-F220 PolarHBondContact O-N 2.96Å; D217-F220 VanDerWaalsContact O-N 3.14Å; F220-V222 HydrophobicContact CD1-CG2 3.84Å; F220-V222 HydrophobicContact CE1-CG2 4.18Å; F220-V222 PolarHBondContact O-N 3.42Å; F220-A229 HydrophobicContact CD1-CB 4.15Å; F220-A229 HydrophobicContact CD2-CB 4.47Å; F220-A229 HydrophobicContact CE1-CB 3.44Å; F220-A229 VanDerWaalsContact CE1-CB 3.44Å; F220-A229 HydrophobicContact CE2-CB 3.82Å; F220-A229 HydrophobicContact CZ-CB 3.26Å; F220-S242 WeakPolarHBondContact CD2-O 3.49Å; F220-V369 HydrophobicContact CE1-CG1 4.17Å; F220-V369 HydrophobicContact CE2-CG1 4.44Å; F220-V369 HydrophobicContact CZ-CG1 3.57Å; F220-C371 HydrophobicContact CE2-CB 4.4Å
221K92.3Very high92.1Very high131 Ų13135.8 Ų35.857%0.5718%0.175SC*.EExtended strand (participates in β ladder)trans-91.493.3-176.9-174.3-172.1175.8-173.50109.3A229 S230K221-A229 CarbonylContact O-C 3.15Å; K221-A229 WeakPolarHBondContact O-CA 3.44Å; K221-S230 WeakPolarHBondContact CB-O 3.31Å; K221-S230 PolarHBondContact N-O 2.87Å; K221-S230 PolarHBondContact O-N 3.03Å
222V92.6Very high91.8Very high27 Ų2736.9 Ų36.916%0.16418%0.181CC..EExtended strand (participates in β ladder)trans-73.8141.4169.6-172.40000109.5L211 T213 F220 R226 A229L211-V222 HydrophobicContact CB-CG1 3.96Å; L211-V222 HydrophobicContact CD1-CG1 4.16Å; T213-V222 HydrophobicContact CG2-CB 4.49Å; T213-V222 HydrophobicContact CG2-CG1 4.43Å; F220-V222 HydrophobicContact CD1-CG2 3.84Å; F220-V222 HydrophobicContact CE1-CG2 4.18Å; F220-V222 PolarHBondContact O-N 3.42Å; V222-R226 HydrophobicContact CG1-CB 4.16Å; V222-R226 HydrophobicContact CG1-CG 4.38Å; V222-A229 HydrophobicContact CG2-CB 4.4Å
223S92.1Very high91.5Very high31 Ų3138.7 Ų38.722%0.21719%0.19CC..  trans-67.4172.1171.354.50000112.9D225 R226 S228S223-D225 PolarHBondContact OG-OD1 3.29Å; S223-R226 PolarHBondContact O-N 3Å; S223-R226 PolarHBondContact OG-N 3.04Å; S223-S228 VanDerWaalsContact CB-O 3.27Å; S223-S228 WeakPolarHBondContact CB-O 3.44Å; S223-S228 WeakPolarHBondContact CB-OG 3.34Å; S223-S228 PolarHBondContact N-O 3.29Å; S223-S228 PolarHBondContact OG-N 2.63Å; S223-S228 VanDerWaalsContact OG-N 3.09Å; S223-S228 PolarHBondContact OG-O 3.28Å; S223-S228 PolarHBondContact OG-OG 2.95Å; S223-S228 VanDerWaalsContact OG-OG 3.13Å
224R87.3Confident91.1Very high193 Ų19339 Ų3973%0.72819%0.188SC*.SBendtrans-71.2-40.4175.5-65.8-173.5-176.1-1446.1112.6E202 R226E202-R224 WeakPolarHBondContact OE1-CD 3.09Å; E202-R224 IonicContact OE1-CZ 3.57Å; E202-R224 IonicContact OE1-NE 3.61Å; E202-R224 IonicContact OE1-NH1 2.63Å; E202-R224 PolarHBondContact OE1-NH1 2.91Å; R224-R226 WeakPolarHBondContact O-CG 3.38Å; R224-R226 PolarHBondContact O-N 3.33Å
225D88.4Confident90.5Very high90 Ų9041.5 Ų41.548%0.48120%0.201SC..SBendtrans-67.7-16.8174.957.555.7000113.1S223 Y227 S228S223-D225 PolarHBondContact OG-OD1 3.29Å; D225-Y227 HydrophobicContact CB-CD2 3.97Å; D225-Y227 WeakPolarHBondContact O-CD2 3.08Å; D225-Y227 WeakPolarHBondContact O-CE2 3.39Å; D225-Y227 PolarHBondContact O-N 3.47Å; D225-Y227 PolarHBondContact OD1-N 3.18Å; D225-S228 PolarHBondContact OD1-N 3.29Å
226R92.4Very high89.8Confident29 Ų2941.8 Ų41.811%0.10920%0.204CC..SBendtrans63.819.2-179.1-44.7-158.4-58.6-169.93.5114.3C204 C210 L211 V222 S223 R224C204-R226 VanDerWaalsContact CB-CZ 3.42Å; C204-R226 VanDerWaalsContact CB-NH2 3.34Å; C204-R226 PolarHBondContact SG-NH2 3.19Å; C210-R226 HydrophobicContact CB-CB 3.84Å; C210-R226 VanDerWaalsContact SG-CZ 3.57Å; C210-R226 PolarHBondContact SG-NE 3.44Å; C210-R226 PolarHBondContact SG-NH2 2.77Å; L211-R226 VanDerWaalsContact CB-O 3.28Å; L211-R226 WeakPolarHBondContact CB-O 3.43Å; L211-R226 WeakPolarHBondContact CG-O 3.06Å; L211-R226 PolarHBondContact N-O 3.27Å; V222-R226 HydrophobicContact CG1-CB 4.16Å; V222-R226 HydrophobicContact CG1-CG 4.38Å; S223-R226 PolarHBondContact O-N 3Å; S223-R226 PolarHBondContact OG-N 3.04Å; R224-R226 WeakPolarHBondContact O-CG 3.38Å; R224-R226 PolarHBondContact O-N 3.33Å
227Y95.1Very high89.3Confident46 Ų4642.1 Ų42.118%0.1821%0.205CC..SBendtrans-106.5-13.2173.7-59.9-67.9000112.9V209 C210 D225 E377 F378 F380 Q382V209-Y227 WeakPolarHBondContact O-CE1 3.41Å; C210-Y227 HydrophobicContact CB-CD1 4.11Å; C210-Y227 HydrophobicContact CB-CE1 3.59Å; D225-Y227 HydrophobicContact CB-CD2 3.97Å; D225-Y227 WeakPolarHBondContact O-CD2 3.08Å; D225-Y227 WeakPolarHBondContact O-CE2 3.39Å; D225-Y227 PolarHBondContact O-N 3.47Å; D225-Y227 PolarHBondContact OD1-N 3.18Å; Y227-E377 CarbonylContact O-C 3.53Å; Y227-E377 WeakPolarHBondContact O-CA 3.16Å; Y227-F378 WeakPolarHBondContact O-CD2 3.37Å; Y227-F378 PolarHBondContact O-N 2.75Å; Y227-F380 AromaticContact CD1-CD2 3.9Å; Y227-F380 HydrophobicContact CD1-CD2 3.9Å; Y227-F380 HydrophobicContact CD1-CE2 4.28Å; Y227-F380 HydrophobicContact CE1-CD2 4.05Å; Y227-Q382 HydrophobicContact CD1-CG 3.85Å; Y227-Q382 HydrophobicContact CD2-CG 4.18Å; Y227-Q382 HydrophobicContact CE1-CB 4.05Å; Y227-Q382 HydrophobicContact CE1-CG 3.52Å; Y227-Q382 HydrophobicContact CE2-CG 3.91Å; Y227-Q382 HydrophobicContact CG-CG 4.17Å
228S94.8Very high88.9Confident39 Ų3942.1 Ų42.127%0.27321%0.205SC..EExtended strand (participates in β ladder)trans-122.1154.2170.457.80000113.2S223 D225 V376S223-S228 VanDerWaalsContact CB-O 3.27Å; S223-S228 WeakPolarHBondContact CB-O 3.44Å; S223-S228 WeakPolarHBondContact CB-OG 3.34Å; S223-S228 PolarHBondContact N-O 3.29Å; S223-S228 PolarHBondContact OG-N 2.63Å; S223-S228 VanDerWaalsContact OG-N 3.09Å; S223-S228 PolarHBondContact OG-O 3.28Å; S223-S228 PolarHBondContact OG-OG 2.95Å; S223-S228 VanDerWaalsContact OG-OG 3.13Å; D225-S228 PolarHBondContact OD1-N 3.29Å; S228-V376 CarbonylContact C-O 3.58Å; S228-V376 VanDerWaalsContact CA-O 3.27Å; S228-V376 WeakPolarHBondContact CA-O 3.44Å; S228-V376 WeakPolarHBondContact CB-O 3.27Å
229A95.9Very high88.4Confident5 Ų543.6 Ų43.64%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-153.3158.8176.100000113.3L211 F220 K221 V222 A375 V376L211-A229 HydrophobicContact CD1-CB 3.66Å; F220-A229 HydrophobicContact CD1-CB 4.15Å; F220-A229 HydrophobicContact CD2-CB 4.47Å; F220-A229 HydrophobicContact CE1-CB 3.44Å; F220-A229 VanDerWaalsContact CE1-CB 3.44Å; F220-A229 HydrophobicContact CE2-CB 3.82Å; F220-A229 HydrophobicContact CZ-CB 3.26Å; K221-A229 CarbonylContact O-C 3.15Å; K221-A229 WeakPolarHBondContact O-CA 3.44Å; V222-A229 HydrophobicContact CG2-CB 4.4Å; A229-A375 WeakPolarHBondContact O-CA 3.2Å; A229-V376 PolarHBondContact N-O 2.84Å; A229-V376 WeakPolarHBondContact O-CG2 3.41Å; A229-V376 PolarHBondContact O-N 2.94Å
230S94.4Very high88.2Confident27 Ų2743.6 Ų43.619%0.18921%0.211CC..EExtended strand (participates in β ladder)trans-146.4155.917756.90000114.3K221 C374K221-S230 WeakPolarHBondContact CB-O 3.31Å; K221-S230 PolarHBondContact N-O 2.87Å; K221-S230 PolarHBondContact O-N 3.03Å; S230-C374 WeakPolarHBondContact CA-O 3.48Å
231S91.2Very high88.1Confident5 Ų543.6 Ų43.64%0.03521%0.211CC..EExtended strand (participates in β ladder)trans-69.3139.5170.7-59.70000111.7I233 S242 C371 N373 C374S231-I233 PolarHBondContact O-N 3.36Å; S231-S242 WeakPolarHBondContact CA-OG 3.42Å; S231-S242 WeakPolarHBondContact CB-OG 3.44Å; S231-S242 PolarHBondContact OG-OG 3Å; S231-C371 VanDerWaalsContact OG-C 3.32Å; S231-C371 WeakPolarHBondContact OG-CB 3.5Å; S231-C371 PolarHBondContact OG-O 2.98Å; S231-C371 VanDerWaalsContact OG-O 3.13Å; S231-N373 PolarHBondContact OG-N 2.78Å; S231-C374 PolarHBondContact N-O 3.3Å; S231-C374 VanDerWaalsContact N-O 3.09Å
232L87.8Confident88.2Confident28 Ų2837.3 Ų37.315%0.14718%0.184CC..  trans-68.6117.9163.7-101.6151.5000110.3H219 M234 F237H219-L232 HydrophobicContact CB-CB 4.26Å; H219-L232 HydrophobicContact CB-CD1 4Å; H219-L232 PolarHBondContact O-N 2.94Å; L232-M234 HydrophobicContact CD2-CE 3.58Å; L232-F237 HydrophobicContact CB-CB 4.02Å; L232-F237 HydrophobicContact CB-CG 4.24Å; L232-F237 CarbonylContact O-C 3.51Å; L232-F237 VanDerWaalsContact O-C 3.28Å; L232-F237 WeakPolarHBondContact O-CB 3.42Å
233I85Confident88.2Confident46 Ų4636 Ų3624%0.23618%0.176CC..  trans-97.9-5.2-177.761.5151.6000114.7S231 E235 A238 I265 V267 H269 N373S231-I233 PolarHBondContact O-N 3.36Å; I233-E235 PolarHBondContact O-N 3.46Å; I233-A238 HydrophobicContact CB-CB 4.47Å; I233-A238 WeakPolarHBondContact O-CB 3.36Å; I233-I265 HydrophobicContact CD1-CG2 3.71Å; I233-I265 HydrophobicContact CG1-CG2 4.36Å; I233-I265 HydrophobicContact CG2-CB 4.11Å; I233-I265 HydrophobicContact CG2-CD1 4.33Å; I233-I265 HydrophobicContact CG2-CG2 4.1Å; I233-V267 HydrophobicContact CB-CG2 4.38Å; I233-V267 HydrophobicContact CG2-CG2 4.34Å; I233-H269 PolarHBondContact O-CE1 2.79Å; I233-N373 HydrophobicContact CG2-CB 4.3Å; I233-N373 WeakPolarHBondContact CG2-OD1 3.33Å
234M80.7Confident88.4Confident69 Ų6934.6 Ų34.634%0.3417%0.166SC..SBendtrans-69.6131.4-172.3-67.8-170.5-69.600112.3L232 S236 F237 W796 F800L232-M234 HydrophobicContact CD2-CE 3.58Å; M234-S236 PolarHBondContact O-N 2.91Å; M234-F237 WeakPolarHBondContact O-CB 3.31Å; M234-F237 WeakPolarHBondContact O-CD2 3.47Å; M234-F237 PolarHBondContact O-N 3.28Å; M234-F237 VanDerWaalsContact O-N 3.09Å; M234-W796 HydrophobicContact CE-CH2 3.97Å; M234-W796 HydrophobicContact CE-CZ2 3.4Å; M234-F800 HydrophobicContact CE-CD2 4.4Å
235E76.6Confident88.8Confident82 Ų8225.7 Ų25.738%0.38313%0.132SC..G310 helixtrans47.9-126179.2-56.8169.2-137.100111.1I233 F237 H269 K486I233-E235 PolarHBondContact O-N 3.46Å; E235-F237 VanDerWaalsContact C-N 3.27Å; E235-F237 PolarHBondContact O-N 3.47Å; E235-H269 PolarHBondContact O-NE2 2.99Å; E235-K486 IonicContact OE1-NZ 2.74Å; E235-K486 PolarHBondContact OE1-NZ 3.3Å; E235-K486 IonicContact OE2-NZ 3.94Å; E235-K486 PolarHBondContact OE2-NZ 3.26Å
236S76.4Confident89.1Confident21 Ų2121.4 Ų21.415%0.14711%0.11CC..G310 helixtrans-78.2-3.4-175.4-50.80000115.1M234 A238 Y239 F483M234-S236 PolarHBondContact O-N 2.91Å; S236-A238 PolarHBondContact O-N 3.35Å; S236-Y239 PolarHBondContact O-N 3.09Å; S236-F483 WeakPolarHBondContact OG-CE1 3.31Å; S236-F483 WeakPolarHBondContact OG-CZ 3.35Å
237F83.6Confident89.3Confident9 Ų920 Ų204%0.03911%0.105CC..G310 helixtrans-66.4-25.9171.9-71.1-80.5000112.3H219 L232 M234 E235 Y239 L240 K486 F487 I490H219-F237 HydrophobicContact CB-CD1 3.66Å; H219-F237 HydrophobicContact CB-CE1 3.74Å; L232-F237 HydrophobicContact CB-CB 4.02Å; L232-F237 HydrophobicContact CB-CG 4.24Å; L232-F237 CarbonylContact O-C 3.51Å; L232-F237 VanDerWaalsContact O-C 3.28Å; L232-F237 WeakPolarHBondContact O-CB 3.42Å; M234-F237 WeakPolarHBondContact O-CB 3.31Å; M234-F237 WeakPolarHBondContact O-CD2 3.47Å; M234-F237 PolarHBondContact O-N 3.28Å; M234-F237 VanDerWaalsContact O-N 3.09Å; E235-F237 VanDerWaalsContact C-N 3.27Å; E235-F237 PolarHBondContact O-N 3.47Å; F237-Y239 PolarHBondContact O-N 3.46Å; F237-Y239 VanDerWaalsContact O-N 3.11Å; F237-L240 HydrophobicContact CD1-CD1 3.72Å; F237-L240 HydrophobicContact CE1-CD1 4.33Å; F237-L240 WeakPolarHBondContact O-CB 3.49Å; F237-L240 PolarHBondContact O-N 2.94Å; F237-K486 HydrophobicContact CE2-CB 4.38Å; F237-K486 HydrophobicContact CE2-CD 3.96Å; F237-K486 HydrophobicContact CZ-CB 4.07Å; F237-K486 HydrophobicContact CZ-CD 4.47Å; F237-F487 HydrophobicContact CD1-CE2 4.4Å; F237-F487 HydrophobicContact CD1-CZ 4.39Å; F237-F487 HydrophobicContact CE1-CD2 4.28Å; F237-F487 HydrophobicContact CE1-CE1 4.49Å; F237-F487 AromaticContact CE1-CE2 3.7Å; F237-F487 HydrophobicContact CE1-CE2 3.7Å; F237-F487 AromaticContact CE1-CZ 3.83Å; F237-F487 HydrophobicContact CE1-CZ 3.83Å; F237-F487 HydrophobicContact CZ-CE2 4.48Å; F237-I490 HydrophobicContact CE1-CD1 4.42Å; F237-I490 HydrophobicContact CZ-CD1 3.93Å
238A84.6Confident89.4Confident0 Ų018.6 Ų18.60%010%0.099CC..G310 helixtrans-67.9-7.6175.100000115.1I233 S236 V267 I270 N373I233-A238 HydrophobicContact CB-CB 4.47Å; I233-A238 WeakPolarHBondContact O-CB 3.36Å; S236-A238 PolarHBondContact O-N 3.35Å; A238-V267 HydrophobicContact CB-CB 4.43Å; A238-V267 HydrophobicContact CB-CG1 3.53Å; A238-V267 HydrophobicContact CB-CG2 4.06Å; A238-I270 HydrophobicContact CB-CD1 3.57Å; A238-N373 WeakPolarHBondContact CA-OD1 3.08Å; A238-N373 WeakPolarHBondContact CB-OD1 3.33Å; A238-N373 PolarHBondContact O-ND2 3.43Å; A238-N373 PolarHBondContact O-OD1 3.27Å
239Y81.2Confident89.4Confident35 Ų3516.7 Ų16.714%0.1379%0.086CC..G310 helixtrans-87.2-12.7168.2-62.4-77.4000113S236 F237 I270 I476S236-Y239 PolarHBondContact O-N 3.09Å; F237-Y239 PolarHBondContact O-N 3.46Å; F237-Y239 VanDerWaalsContact O-N 3.11Å; Y239-I270 HydrophobicContact CD1-CD1 3.97Å; Y239-I270 HydrophobicContact CD2-CD1 4.3Å; Y239-I270 HydrophobicContact CE1-CD1 3.68Å; Y239-I270 HydrophobicContact CE1-CG1 4.08Å; Y239-I270 HydrophobicContact CE1-CG2 4.16Å; Y239-I270 HydrophobicContact CE2-CD1 4.02Å; Y239-I270 HydrophobicContact CE2-CG1 4.22Å; Y239-I270 HydrophobicContact CG-CD1 4.27Å; Y239-I476 HydrophobicContact CD1-CD1 4.19Å; Y239-I476 HydrophobicContact CE1-CD1 4.25Å
240L87.2Confident89.4Confident1 Ų116.5 Ų16.51%0.0058%0.084CC..SBendtrans-94.8138.3-172.7-67.6167000112.3F237 I454 K457 M458 F487F237-L240 HydrophobicContact CD1-CD1 3.72Å; F237-L240 HydrophobicContact CE1-CD1 4.33Å; F237-L240 WeakPolarHBondContact O-CB 3.49Å; F237-L240 PolarHBondContact O-N 2.94Å; L240-I454 HydrophobicContact CD2-CG2 4.12Å; L240-I454 WeakPolarHBondContact CD2-O 3.33Å; L240-K457 WeakPolarHBondContact CA-O 3.33Å; L240-K457 HydrophobicContact CD2-CB 3.61Å; L240-M458 HydrophobicContact CD2-CB 4.42Å; L240-M458 HydrophobicContact CD2-CE 3.9Å; L240-M458 HydrophobicContact CD2-CG 3.39Å; L240-M458 HydrophobicContact CG-CE 4.01Å; L240-M458 HydrophobicContact CG-CG 4.08Å; L240-F487 HydrophobicContact CD1-CE2 3.79Å; L240-F487 HydrophobicContact CD1-CZ 3.74Å
241W91.6Very high89.4Confident1 Ų118.3 Ų18.30%0.0049%0.092CC..  trans-73.8139.9158.6-69.387.6000110.3H219 D279 Q281 L292 I370 R372 K457 I460 L463H219-W241 PolarHBondContact CE1-O 3.24Å; H219-W241 PolarHBondContact NE2-O 3.42Å; W241-D279 HydrophobicContact CH2-CB 3.38Å; W241-D279 HydrophobicContact CZ2-CB 3.91Å; W241-D279 HydrophobicContact CZ3-CB 3.94Å; W241-Q281 HydrophobicContact CH2-CG 4.15Å; W241-Q281 HydrophobicContact CZ3-CG 4.07Å; W241-L292 HydrophobicContact CB-CD2 4.39Å; W241-I370 HydrophobicContact CD2-CD1 4.44Å; W241-I370 HydrophobicContact CE3-CB 4.09Å; W241-I370 HydrophobicContact CE3-CD1 3.67Å; W241-I370 HydrophobicContact CE3-CG1 3.84Å; W241-I370 HydrophobicContact CH2-CD1 4.46Å; W241-I370 HydrophobicContact CZ3-CB 4.48Å; W241-I370 HydrophobicContact CZ3-CD1 3.7Å; W241-I370 HydrophobicContact CZ3-CG1 3.79Å; W241-R372 HydrophobicContact CD2-CB 3.89Å; W241-R372 HydrophobicContact CD2-CG 4.46Å; W241-R372 HydrophobicContact CE3-CB 3.91Å; W241-R372 HydrophobicContact CG-CB 4.41Å; W241-R372 HydrophobicContact CZ3-CB 4.31Å; W241-K457 WeakPolarHBondContact CB-O 3.43Å; W241-K457 PolarHBondContact N-O 3.35Å; W241-I460 HydrophobicContact CB-CD1 4.04Å; W241-I460 HydrophobicContact CB-CG1 4.49Å; W241-I460 HydrophobicContact CD2-CD1 3.4Å; W241-I460 HydrophobicContact CD2-CG1 4.28Å; W241-I460 HydrophobicContact CE3-CD1 3.96Å; W241-I460 HydrophobicContact CG-CD1 3.46Å; W241-I460 VanDerWaalsContact CG-CD1 3.46Å; W241-I460 HydrophobicContact CG-CG1 3.94Å; W241-I460 HydrophobicContact CH2-CD1 4.46Å; W241-I460 HydrophobicContact CZ2-CD1 4.06Å; W241-I460 HydrophobicContact CZ3-CD1 4.46Å; W241-L463 HydrophobicContact CZ2-CD1 4.06Å
242S92.9Very high89.6Confident0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-133.4121.9-177.9590000109.7D217 F220 S231 C371D217-S242 WeakPolarHBondContact OD2-CA 3.37Å; F220-S242 WeakPolarHBondContact CD2-O 3.49Å; S231-S242 WeakPolarHBondContact CA-OG 3.42Å; S231-S242 WeakPolarHBondContact CB-OG 3.44Å; S231-S242 PolarHBondContact OG-OG 3Å; S242-C371 PolarHBondContact N-O 3.21Å; S242-C371 PolarHBondContact O-N 2.84Å; S242-C371 PolarHBondContact OG-O 3.18Å; S242-C371 VanDerWaalsContact OG-O 3.1Å
243G94.1Very high89.8Confident0 Ų021.1 Ų21.10%012%0.118CC..EExtended strand (participates in β ladder)trans-122.9167.8-176.500000116.2C216 D217 V369C216-G243 CarbonylContact C-O 3.57Å; C216-G243 WeakPolarHBondContact CA-O 3.4Å; C216-G243 WeakPolarHBondContact CB-O 3.27Å; D217-G243 PolarHBondContact N-O 2.54Å; D217-G243 PolarHBondContact OD2-N 2.81Å; G243-V369 CarbonylContact C-O 3.28Å; G243-V369 WeakPolarHBondContact CA-O 3.33Å
244G95.1Very high90.4Very high1 Ų121.3 Ų21.31%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-158.115017300000112.6H368 V369G244-H368 PolarHBondContact O-CD2 3.42Å; G244-V369 PolarHBondContact N-O 2.77Å; G244-V369 PolarHBondContact O-N 2.3Å
245K95.9Very high91.2Very high5 Ų518 Ų182%0.02210%0.102CC..EExtended strand (participates in β ladder)trans-104.6158.5176.6-62.2-177.4-174177.70111.4D212 N215 S285 L286 S287 G289 T290 L291 P367 H368D212-K245 VanDerWaalsContact CB-O 3.27Å; D212-K245 WeakPolarHBondContact CB-O 3.24Å; D212-K245 PolarHBondContact N-O 3.49Å; N215-K245 HydrophobicContact CB-CB 4.27Å; N215-K245 PolarHBondContact O-N 3.31Å; K245-S285 WeakPolarHBondContact CE-OG 3.41Å; K245-L286 PolarHBondContact NZ-O 3.42Å; K245-S287 PolarHBondContact NZ-O 2.86Å; K245-S287 VanDerWaalsContact NZ-O 3.11Å; K245-G289 PolarHBondContact NZ-O 3.13Å; K245-T290 WeakPolarHBondContact CE-O 3.42Å; K245-T290 PolarHBondContact NZ-O 2.87Å; K245-L291 HydrophobicContact CD-CD2 4.46Å; K245-L291 HydrophobicContact CG-CD2 4.22Å; K245-P367 CarbonylContact C-O 3.49Å; K245-P367 WeakPolarHBondContact CA-O 3.49Å; K245-H368 HydrophobicContact CG-CB 4.18Å
246G95.4Very high92.1Very high1 Ų114.1 Ų14.11%0.018%0.083CC..EExtended strand (participates in β ladder)trans-68.3151.2166.900000111.5Y248 P367G246-Y248 PolarHBondContact O-N 3.37Å; G246-P367 PolarHBondContact N-O 3.37Å
247T95.5Very high93.2Very high0 Ų013.1 Ų13.10%08%0.076CC..SBendtrans-68-19.6176.3390000114.1T208 C210 D212 R407 G408T208-T247 PolarHBondContact O-OG1 2.61Å; C210-T247 PolarHBondContact N-OG1 3.14Å; C210-T247 WeakPolarHBondContact O-CB 3.1Å; C210-T247 WeakPolarHBondContact O-CG2 3.45Å; C210-T247 PolarHBondContact O-N 3.03Å; C210-T247 PolarHBondContact O-OG1 3.48Å; D212-T247 HydrophobicContact CB-CG2 3.73Å; T247-R407 VanDerWaalsContact CG2-NH2 3.3Å; T247-R407 WeakPolarHBondContact O-CD 3.48Å; T247-R407 PolarHBondContact O-NE 3.1Å; T247-G408 PolarHBondContact O-N 2.99Å
248Y96.6Very high93.8Very high15 Ų1512.9 Ų12.96%0.0598%0.075CC..EExtended strand (participates in β ladder)trans-134148.8179.2-79.8-79.8000111E206 T208 V209 G246 F366 P367 V402 R405 V406 R407E206-Y248 VanDerWaalsContact O-CE2 3.23Å; E206-Y248 WeakPolarHBondContact O-CE2 3.24Å; E206-Y248 PolarHBondContact O-OH 3.42Å; T208-Y248 WeakPolarHBondContact O-CD2 3.42Å; T208-Y248 WeakPolarHBondContact O-CE2 3.35Å; V209-Y248 HydrophobicContact CG2-CD2 3.93Å; V209-Y248 HydrophobicContact CG2-CG 4.26Å; G246-Y248 PolarHBondContact O-N 3.37Å; Y248-F366 VanDerWaalsContact C-CE1 3.47Å; Y248-P367 VanDerWaalsContact O-CD 3.24Å; Y248-P367 WeakPolarHBondContact O-CD 3.08Å; Y248-V402 HydrophobicContact CE1-CG1 4.47Å; Y248-R405 HydrophobicContact CD1-CB 3.42Å; Y248-R405 VanDerWaalsContact CD1-CB 3.42Å; Y248-R405 HydrophobicContact CD1-CG 4.4Å; Y248-R405 HydrophobicContact CE1-CB 3.96Å; Y248-R405 HydrophobicContact CG-CB 4.1Å; Y248-V406 WeakPolarHBondContact CA-O 3.25Å; Y248-R407 HydrophobicContact CD1-CB 4.16Å; Y248-R407 HydrophobicContact CE1-CB 3.77Å; Y248-R407 HydrophobicContact CE1-CG 4.27Å; Y248-R407 VanDerWaalsContact CZ-CD 3.44Å
249G96.3Very high94.5Very high0 Ų012.9 Ų12.90%08%0.075CC..EExtended strand (participates in β ladder)trans-132.3179.4173.100000111L365 F366 V406G249-L365 CarbonylContact C-O 3.48Å; G249-L365 WeakPolarHBondContact CA-O 3.35Å; G249-F366 VanDerWaalsContact N-CD1 3.29Å; G249-V406 PolarHBondContact N-O 2.83Å; G249-V406 PolarHBondContact O-N 3.27Å
250V95.8Very high95.3Very high0 Ų013.1 Ų13.10%08%0.077CC..BIsolated β-bridgetrans-133.9151.2-177.1-75.10000111.2A255 W284 I331 F333 A364 L365 L397 I400V250-A255 HydrophobicContact CG1-CB 4.22Å; V250-A255 HydrophobicContact CG2-CB 3.92Å; V250-W284 HydrophobicContact CG2-CZ3 4.21Å; V250-I331 HydrophobicContact CG2-CG2 3.89Å; V250-F333 HydrophobicContact CB-CE2 4.47Å; V250-F333 HydrophobicContact CG2-CE2 4.03Å; V250-F333 WeakPolarHBondContact O-CZ 3.32Å; V250-A364 VanDerWaalsContact O-CA 3.28Å; V250-A364 WeakPolarHBondContact O-CA 3.34Å; V250-A364 WeakPolarHBondContact O-CB 3.47Å; V250-L365 PolarHBondContact N-O 3.28Å; V250-L365 PolarHBondContact O-N 3.49Å; V250-L397 HydrophobicContact CB-CD2 4.49Å; V250-L397 HydrophobicContact CG1-CD2 3.57Å; V250-L397 HydrophobicContact CG2-CD2 4.11Å; V250-I400 HydrophobicContact CG1-CD1 4.01Å
251N94.9Very high95.7Very high66 Ų6613.1 Ų13.135%0.3538%0.077SC..SBendtrans-132.37.7174.861.5-13.4000113.3G362 A364N251-G362 PolarHBondContact ND2-O 2.93Å; N251-G362 VanDerWaalsContact ND2-O 3.17Å; N251-A364 HydrophobicContact CB-CB 4.05Å
252S93.6Very high96Very high60 Ų6015.3 Ų15.342%0.429%0.091SC..SBendtrans-156156.1-178.358.80000111.7
253G93.7Very high96Very high31 Ų3119.8 Ų19.832%0.3211%0.112SC..EExtended strand (participates in β ladder)trans71.5-166.617900000114.2F333G253-F333 WeakPolarHBondContact O-CB 3.35Å; G253-F333 PolarHBondContact O-N 3.15Å
254K96.1Very high96Very high50 Ų5022 Ų2222%0.21712%0.121CC..EExtended strand (participates in β ladder)trans-109.5117.6179-79.9169.4173.8158.50111I331 D332 E334 G393 Y394 T395K254-I331 WeakPolarHBondContact CA-O 3.36Å; K254-D332 WeakPolarHBondContact CE-OD1 3.16Å; K254-D332 WeakPolarHBondContact CE-OD2 3.45Å; K254-D332 HydrophobicContact CG-CB 4.11Å; K254-D332 WeakPolarHBondContact CG-OD1 3.41Å; K254-D332 IonicContact NZ-OD2 3.98Å; K254-E334 HydrophobicContact CD-CG 4.35Å; K254-E334 VanDerWaalsContact CE-OE2 3.23Å; K254-E334 WeakPolarHBondContact CE-OE2 3.13Å; K254-E334 HydrophobicContact CG-CG 4.26Å; K254-E334 IonicContact NZ-OE1 2.7Å; K254-E334 IonicContact NZ-OE2 3.91Å; K254-E334 PolarHBondContact NZ-OE2 2.86Å; K254-G393 WeakPolarHBondContact CB-O 3.48Å; K254-Y394 HydrophobicContact CB-CD1 3.75Å; K254-Y394 HydrophobicContact CB-CE1 4.02Å; K254-Y394 HydrophobicContact CB-CG 4.2Å; K254-Y394 HydrophobicContact CG-CD1 4.27Å; K254-Y394 HydrophobicContact CG-CE1 4.05Å; K254-T395 PolarHBondContact O-N 2.91Å; K254-T395 VanDerWaalsContact O-N 3.17Å
255A97.3Very high95.8Very high1 Ų123 Ų231%0.00813%0.126CC..EExtended strand (participates in β ladder)trans-126.3156.4-178.500000112.7V250 I331 Y394 T395 L397 I400V250-A255 HydrophobicContact CG1-CB 4.22Å; V250-A255 HydrophobicContact CG2-CB 3.92Å; A255-I331 HydrophobicContact CB-CG2 3.71Å; A255-I331 PolarHBondContact N-O 3.49Å; A255-I331 WeakPolarHBondContact O-CG2 3.24Å; A255-I331 PolarHBondContact O-N 2.71Å; A255-Y394 WeakPolarHBondContact O-CD1 3.26Å; A255-T395 CarbonylContact C-O 3.53Å; A255-T395 VanDerWaalsContact CA-O 3.26Å; A255-T395 WeakPolarHBondContact CA-O 3.5Å; A255-L397 HydrophobicContact CB-CD2 3.85Å; A255-L397 HydrophobicContact CB-CG 4.5Å; A255-I400 HydrophobicContact CB-CD1 3.59Å
256C97.3Very high95.4Very high0 Ų026.6 Ų26.60%015%0.152CC..EExtended strand (participates in β ladder)trans-146.2163.3172.163.20000113.3C329 L330 T395 F396 L397C256-C329 VanDerWaalsContact CA-O 3.24Å; C256-C329 WeakPolarHBondContact CA-O 3.42Å; C256-L330 HydrophobicContact CB-CD2 4.15Å; C256-L330 HydrophobicContact CB-CG 4.13Å; C256-T395 PolarHBondContact N-O 3.34Å; C256-F396 WeakPolarHBondContact O-CA 3.5Å; C256-L397 PolarHBondContact O-N 2.76Å; C256-L397 VanDerWaalsContact O-N 3.16Å
257F97.9Very high94.8Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-147.1155.9162.770.9-86.3000109.5V282 W284 C329 P367 F378 N379 F380 L397F257-V282 HydrophobicContact CE2-CG2 3.75Å; F257-V282 HydrophobicContact CZ-CG2 3.92Å; F257-W284 AromaticContact CD1-CH2 3.6Å; F257-W284 HydrophobicContact CD1-CH2 3.6Å; F257-W284 AromaticContact CD1-CZ2 3.54Å; F257-W284 HydrophobicContact CD1-CZ2 3.54Å; F257-W284 HydrophobicContact CD1-CZ3 4.28Å; F257-W284 HydrophobicContact CE1-CD2 4.1Å; F257-W284 AromaticContact CE1-CE2 3.68Å; F257-W284 HydrophobicContact CE1-CE3 4.33Å; F257-W284 AromaticContact CE1-CH2 3.82Å; F257-W284 HydrophobicContact CE1-CH2 3.82Å; F257-W284 AromaticContact CE1-CZ2 3.53Å; F257-W284 HydrophobicContact CE1-CZ2 3.53Å; F257-W284 HydrophobicContact CE1-CZ3 4.21Å; F257-C329 HydrophobicContact CD1-CB 3.98Å; F257-C329 HydrophobicContact CD2-CB 4.46Å; F257-C329 HydrophobicContact CE1-CB 3.51Å; F257-C329 HydrophobicContact CE2-CB 4.03Å; F257-C329 HydrophobicContact CG-CB 4.44Å; F257-C329 HydrophobicContact CZ-CB 3.53Å; F257-C329 PolarHBondContact N-O 3.29Å; F257-C329 VanDerWaalsContact N-O 3.1Å; F257-C329 PolarHBondContact O-N 3.02Å; F257-P367 HydrophobicContact CD1-CB 3.88Å; F257-P367 HydrophobicContact CD1-CG 3.75Å; F257-P367 HydrophobicContact CD2-CB 4.47Å; F257-P367 HydrophobicContact CE1-CB 3.54Å; F257-P367 HydrophobicContact CE1-CG 3.83Å; F257-P367 HydrophobicContact CE2-CB 4.19Å; F257-P367 HydrophobicContact CG-CB 4.33Å; F257-P367 HydrophobicContact CG-CG 4.34Å; F257-P367 HydrophobicContact CZ-CB 3.72Å; F257-P367 HydrophobicContact CZ-CG 4.48Å; F257-F378 HydrophobicContact CD2-CD1 4.12Å; F257-F378 HydrophobicContact CE2-CD1 4.14Å; F257-F378 HydrophobicContact CE2-CE1 4.14Å; F257-N379 WeakPolarHBondContact CA-O 3.47Å; F257-F380 HydrophobicContact CB-CD1 3.66Å; F257-F380 HydrophobicContact CB-CE1 4.14Å; F257-F380 HydrophobicContact CD2-CD1 4.44Å; F257-F380 HydrophobicContact CD2-CE1 4.07Å; F257-F380 HydrophobicContact CG-CD1 4.14Å; F257-F380 HydrophobicContact CG-CE1 4.11Å; F257-L397 HydrophobicContact CB-CD1 4.26Å; F257-L397 HydrophobicContact CD1-CD1 4.2Å
258E97.7Very high94Very high3 Ų336.7 Ų36.71%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-105.4146.2173-59.7168.212700110.6V326 I327 C328 F378 N379 Y387 F388 F396E258-V326 HydrophobicContact CB-CG1 3.77Å; E258-V326 HydrophobicContact CG-CG1 4.19Å; E258-I327 CarbonylContact C-O 3.32Å; E258-I327 WeakPolarHBondContact CA-O 2.79Å; E258-C328 HydrophobicContact CG-CB 4.14Å; E258-F378 WeakPolarHBondContact O-CA 3.46Å; E258-N379 HydrophobicContact CB-CB 4.18Å; E258-N379 PolarHBondContact N-O 3.26Å; E258-N379 PolarHBondContact O-N 2.82Å; E258-N379 PolarHBondContact OE2-ND2 3.18Å; E258-Y387 HydrophobicContact CB-CD2 4.39Å; E258-Y387 WeakPolarHBondContact OE2-CD2 3.31Å; E258-Y387 PolarHBondContact OE2-N 2.94Å; E258-F388 PolarHBondContact OE1-N 3.14Å; E258-F396 HydrophobicContact CG-CE1 3.97Å; E258-F396 HydrophobicContact CG-CZ 4.09Å
259M97.9Very high93Very high0 Ų040.6 Ų40.60%022%0.215CC..EExtended strand (participates in β ladder)trans-123.5126165.1179.9-157.27100109.3V280 V282 Y321 V326 I327 V369 V376 E377 F378M259-V280 HydrophobicContact CE-CG1 3.81Å; M259-V280 HydrophobicContact SD-CG1 3.72Å; M259-V282 HydrophobicContact CB-CG2 3.96Å; M259-V282 HydrophobicContact CE-CB 3.94Å; M259-V282 HydrophobicContact CE-CG1 3.78Å; M259-V282 HydrophobicContact CE-CG2 4.41Å; M259-V282 HydrophobicContact CG-CG2 4.36Å; M259-V282 HydrophobicContact SD-CB 3.65Å; M259-V282 HydrophobicContact SD-CG1 4.17Å; M259-V282 HydrophobicContact SD-CG2 3.71Å; M259-Y321 HydrophobicContact CE-CE2 3.99Å; M259-V326 WeakPolarHBondContact O-CA 2.97Å; M259-I327 HydrophobicContact CE-CG1 4.49Å; M259-I327 PolarHBondContact N-O 2.82Å; M259-I327 PolarHBondContact O-N 3.39Å; M259-V369 HydrophobicContact SD-CG2 3.89Å; M259-V376 HydrophobicContact CG-CB 4.1Å; M259-V376 HydrophobicContact CG-CG1 4.2Å; M259-V376 HydrophobicContact SD-CB 4.22Å; M259-V376 HydrophobicContact SD-CG1 3.75Å; M259-E377 CarbonylContact C-O 3.04Å; M259-E377 WeakPolarHBondContact CA-O 3.33Å; M259-F378 HydrophobicContact CB-CD1 3.96Å; M259-F378 HydrophobicContact CB-CE1 3.69Å; M259-F378 HydrophobicContact CB-CZ 4.43Å; M259-F378 HydrophobicContact CG-CD1 4.13Å; M259-F378 HydrophobicContact CG-CE1 3.57Å; M259-F378 HydrophobicContact CG-CZ 3.79Å; M259-F378 HydrophobicContact SD-CE1 4.26Å; M259-F378 HydrophobicContact SD-CZ 4.22Å
260K97.7Very high91.8Very high41 Ų4140.8 Ų40.818%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-95.3130.2167.8-174.4176.5178.7-169.90110.3T262 N324 D325 V326 V376 E377 Y387K260-T262 HydrophobicContact CD-CG2 4.47Å; K260-T262 HydrophobicContact CG-CG2 4.32Å; K260-T262 PolarHBondContact O-N 2.93Å; K260-N324 VanDerWaalsContact CE-OD1 3.31Å; K260-N324 WeakPolarHBondContact CE-OD1 3.39Å; K260-N324 PolarHBondContact NZ-OD1 2.74Å; K260-D325 WeakPolarHBondContact CA-O 3.48Å; K260-V326 HydrophobicContact CB-CG2 4Å; K260-V326 HydrophobicContact CD-CG2 4.29Å; K260-V326 HydrophobicContact CG-CG2 3.94Å; K260-V376 VanDerWaalsContact O-CA 3.31Å; K260-V376 WeakPolarHBondContact O-CA 3.43Å; K260-E377 HydrophobicContact CB-CB 4.43Å; K260-E377 PolarHBondContact N-O 2.88Å; K260-E377 PolarHBondContact O-N 3.19Å; K260-Y387 HydrophobicContact CB-CE2 4.39Å; K260-Y387 HydrophobicContact CD-CE1 3.96Å
261L97.1Very high90.2Very high1 Ų145.2 Ų45.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-79112.5166.1174.349.8000108.2V280 Y321 N324 D325 C374 A375 V376L261-V280 HydrophobicContact CD1-CG2 3.98Å; L261-Y321 HydrophobicContact CD2-CD2 4.25Å; L261-Y321 HydrophobicContact CD2-CE2 4.44Å; L261-N324 WeakPolarHBondContact O-CA 3.3Å; L261-N324 PolarHBondContact O-N 3.38Å; L261-D325 PolarHBondContact N-O 3.15Å; L261-C374 HydrophobicContact CD1-CB 4Å; L261-A375 WeakPolarHBondContact CD1-O 3.48Å; L261-V376 HydrophobicContact CD1-CG1 4.39Å
262T96.3Very high88.2Confident47 Ų4745.9 Ų45.929%0.28826%0.256SS..EExtended strand (participates in β ladder)trans-94.2-34.9-171.963.80000113.9K260 A375 E377K260-T262 HydrophobicContact CD-CG2 4.47Å; K260-T262 HydrophobicContact CG-CG2 4.32Å; K260-T262 PolarHBondContact O-N 2.93Å; T262-A375 PolarHBondContact N-O 3.46Å; T262-A375 VanDerWaalsContact OG1-C 3.24Å; T262-A375 VanDerWaalsContact OG1-CB 3.29Å; T262-A375 WeakPolarHBondContact OG1-CB 3.26Å; T262-A375 PolarHBondContact OG1-O 3.27Å; T262-A375 VanDerWaalsContact OG1-O 3.13Å; T262-E377 HydrophobicContact CG2-CB 3.65Å
263E94.8Very high86.5Confident94 Ų9451.7 Ų51.744%0.43927%0.274SS..EExtended strand (participates in β ladder)trans-159138-175.7-170.7-171.1165.400111.1I265 C374 A375E263-I265 HydrophobicContact CB-CG1 4.45Å; E263-I265 HydrophobicContact CG-CG1 4.19Å; E263-C374 CarbonylContact O-C 3.58Å; E263-C374 VanDerWaalsContact O-CA 3.25Å; E263-C374 WeakPolarHBondContact O-CA 3.35Å; E263-A375 HydrophobicContact CB-CB 4.15Å; E263-A375 PolarHBondContact N-O 3.17Å; E263-A375 PolarHBondContact O-N 3.26Å
264K93.6Very high84.4Confident45 Ų4557 Ų5720%0.19630%0.295CS..EExtended strand (participates in β ladder)trans-95.696.3163.4-68.3-178.6173-176.40108.2S266 H278 E322 E323K264-S266 PolarHBondContact O-N 3.18Å; K264-S266 VanDerWaalsContact O-N 3.09Å; K264-H278 HydrophobicContact CB-CB 4.28Å; K264-H278 HydrophobicContact CD-CB 4.03Å; K264-H278 HydrophobicContact CG-CB 4.12Å; K264-E322 VanDerWaalsContact CE-OE2 3.32Å; K264-E322 WeakPolarHBondContact CE-OE2 3.39Å; K264-E322 IonicContact NZ-OE1 3.71Å; K264-E322 PolarHBondContact NZ-OE1 2.92Å; K264-E322 IonicContact NZ-OE2 3.83Å; K264-E322 PolarHBondContact NZ-OE2 3.08Å; K264-E323 WeakPolarHBondContact CA-OE1 3.28Å; K264-E323 HydrophobicContact CB-CG 4.35Å; K264-E323 WeakPolarHBondContact CB-OE1 3.49Å; K264-E323 HydrophobicContact CD-CG 4.35Å; K264-E323 HydrophobicContact CG-CG 3.96Å; K264-E323 PolarHBondContact N-OE1 3.28Å
265I91.3Very high82.8Confident23 Ų2358.2 Ų58.212%0.11830%0.304CS..  trans-73.8103.5-163.7-46170.5000111I233 E263 V267 H278 N373 A375I233-I265 HydrophobicContact CD1-CG2 3.71Å; I233-I265 HydrophobicContact CG1-CG2 4.36Å; I233-I265 HydrophobicContact CG2-CB 4.11Å; I233-I265 HydrophobicContact CG2-CD1 4.33Å; I233-I265 HydrophobicContact CG2-CG2 4.1Å; E263-I265 HydrophobicContact CB-CG1 4.45Å; E263-I265 HydrophobicContact CG-CG1 4.19Å; I265-V267 VanDerWaalsContact O-CG2 3.3Å; I265-V267 WeakPolarHBondContact O-CG2 3.28Å; I265-V267 PolarHBondContact O-N 2.81Å; I265-H278 PolarHBondContact O-CE1 2.74Å; I265-N373 PolarHBondContact N-O 2.66Å; I265-A375 HydrophobicContact CD1-CB 4.22Å; I265-A375 HydrophobicContact CG1-CB 4.46Å
266S85.8Confident81.5Confident81 Ų8164.4 Ų64.457%0.56633%0.333SS*.  trans-52.3135.1-175.269.30000114.6K264K264-S266 PolarHBondContact O-N 3.18Å; K264-S266 VanDerWaalsContact O-N 3.09Å
267V83.2Confident80.6Confident8 Ų864.8 Ų64.85%0.04834%0.335CS..  trans-119.893.2-174.5-169.20000111.6I233 A238 I265 H269 I270 I277 N373I233-V267 HydrophobicContact CB-CG2 4.38Å; I233-V267 HydrophobicContact CG2-CG2 4.34Å; A238-V267 HydrophobicContact CB-CB 4.43Å; A238-V267 HydrophobicContact CB-CG1 3.53Å; A238-V267 HydrophobicContact CB-CG2 4.06Å; I265-V267 VanDerWaalsContact O-CG2 3.3Å; I265-V267 WeakPolarHBondContact O-CG2 3.28Å; I265-V267 PolarHBondContact O-N 2.81Å; V267-H269 VanDerWaalsContact C-N 3.31Å; V267-H269 WeakPolarHBondContact CG1-CE1 3.27Å; V267-H269 WeakPolarHBondContact CG1-NE2 3.44Å; V267-H269 PolarHBondContact O-N 2.87Å; V267-I270 HydrophobicContact CG1-CB 4.25Å; V267-I270 HydrophobicContact CG1-CD1 3.93Å; V267-I270 HydrophobicContact CG1-CG1 3.77Å; V267-I270 PolarHBondContact O-N 2.84Å; V267-I277 HydrophobicContact CB-CD1 3.94Å; V267-I277 HydrophobicContact CG2-CD1 4.07Å; V267-N373 HydrophobicContact CG2-CB 3.97Å
268K79.5Confident80.3Confident204 Ų20467 Ų6789%0.88735%0.345SS*.THydrogen-bonded Turntrans-62.9-27.6-172.2-62-171.4177.1-168.40115.7
269H75.2Confident80Confident97 Ų9767.1 Ų67.145%0.44935%0.345SS..THydrogen-bonded Turntrans-95.22.6-174.859.3-86.4000114.2I233 E235 V267I233-H269 PolarHBondContact O-CE1 2.79Å; E235-H269 PolarHBondContact O-NE2 2.99Å; V267-H269 VanDerWaalsContact C-N 3.31Å; V267-H269 WeakPolarHBondContact CG1-CE1 3.27Å; V267-H269 WeakPolarHBondContact CG1-NE2 3.44Å; V267-H269 PolarHBondContact O-N 2.87Å
270I71.6Confident79.8Confident5 Ų567.1 Ų67.13%0.02635%0.345CS..SBendtrans-104.9123.6168.3-58.8-176.1000107.6A238 Y239 V267 S272 I277A238-I270 HydrophobicContact CB-CD1 3.57Å; Y239-I270 HydrophobicContact CD1-CD1 3.97Å; Y239-I270 HydrophobicContact CD2-CD1 4.3Å; Y239-I270 HydrophobicContact CE1-CD1 3.68Å; Y239-I270 HydrophobicContact CE1-CG1 4.08Å; Y239-I270 HydrophobicContact CE1-CG2 4.16Å; Y239-I270 HydrophobicContact CE2-CD1 4.02Å; Y239-I270 HydrophobicContact CE2-CG1 4.22Å; Y239-I270 HydrophobicContact CG-CD1 4.27Å; V267-I270 HydrophobicContact CG1-CB 4.25Å; V267-I270 HydrophobicContact CG1-CD1 3.93Å; V267-I270 HydrophobicContact CG1-CG1 3.77Å; V267-I270 PolarHBondContact O-N 2.84Å; I270-S272 PolarHBondContact O-N 3.07Å; I270-S272 PolarHBondContact O-OG 2.94Å; I270-I277 HydrophobicContact CD1-CG2 4.45Å; I270-I277 HydrophobicContact CG2-CG2 3.91Å
271S61.2Low79.7Confident93 Ų9365.8 Ų65.865%0.6534%0.34SS*.  trans-65.2102.4174.1-177.10000109.7K273S271-K273 PolarHBondContact O-N 2.77Å; S271-K273 VanDerWaalsContact O-N 3.13Å
272S54.6Low79.8Confident79 Ų7965.7 Ų65.755%0.55234%0.339SS*.G310 helixtrans-67.9-9.5-173.3-38.90000114.1I270 N274I270-S272 PolarHBondContact O-N 3.07Å; I270-S272 PolarHBondContact O-OG 2.94Å; S272-N274 PolarHBondContact O-N 2.74Å
273K56Low79.8Confident182 Ų18263.5 Ų63.579%0.79133%0.326SS*.G310 helixtrans-62.3-16.1-167.1-70.1-168.6175.4-174.40115.6S271S271-K273 PolarHBondContact O-N 2.77Å; S271-K273 VanDerWaalsContact O-N 3.13Å
274N51.3Low80Confident143 Ų14359 Ų5977%0.76531%0.305SS*.G310 helixtrans-148.516.8-176.7-75.3-61.5000114.7S272S272-N274 PolarHBondContact O-N 2.74Å
275L61.8Low80.1Confident75 Ų7557 Ų5739%0.39330%0.296SS..  trans-138119.8-178.9-82.3167.2000110.6I277L275-I277 HydrophobicContact CB-CG2 4.13Å; L275-I277 PolarHBondContact O-N 3.03Å
276E69Low80.3Confident132 Ų13256.9 Ų56.962%0.61730%0.296SS*.  trans-68101.3164.1-68.9-173137.800109.4K305 R372E276-K305 WeakPolarHBondContact OE2-CE 3.28Å; E276-K305 IonicContact OE2-NZ 2.74Å; E276-K305 PolarHBondContact OE2-NZ 3.27Å; E276-R372 PolarHBondContact O-NH1 3.26Å; E276-R372 VanDerWaalsContact O-NH1 3.1Å
277I80Confident80.6Confident8 Ų854.1 Ų54.14%0.04128%0.276CS..  trans-92.8-14.5-178.257.1168.2000113.5V267 I270 L275 R372 N373V267-I277 HydrophobicContact CB-CD1 3.94Å; V267-I277 HydrophobicContact CG2-CD1 4.07Å; I270-I277 HydrophobicContact CD1-CG2 4.45Å; I270-I277 HydrophobicContact CG2-CG2 3.91Å; L275-I277 HydrophobicContact CB-CG2 4.13Å; L275-I277 PolarHBondContact O-N 3.03Å; I277-R372 WeakPolarHBondContact O-CG 3.47Å; I277-N373 PolarHBondContact O-ND2 2.76Å
278H89.9Confident80.7Confident46 Ų4656.6 Ų56.621%0.21329%0.292CS..  trans-103.7125.6178.2-58.4-66000110.2K264 I265 R372 N373K264-H278 HydrophobicContact CB-CB 4.28Å; K264-H278 HydrophobicContact CD-CB 4.03Å; K264-H278 HydrophobicContact CG-CB 4.12Å; I265-H278 PolarHBondContact O-CE1 2.74Å; H278-R372 WeakPolarHBondContact CA-O 3.13Å; H278-N373 PolarHBondContact ND1-O 3.43Å
279D91.4Very high80.9Confident5 Ų547.9 Ų47.93%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-159.1146.2175.7-152.6-37.8000109.3W241 S303 K305 R372W241-D279 HydrophobicContact CH2-CB 3.38Å; W241-D279 HydrophobicContact CZ2-CB 3.91Å; W241-D279 HydrophobicContact CZ3-CB 3.94Å; D279-S303 PolarHBondContact OD1-OG 2.69Å; D279-K305 WeakPolarHBondContact OD2-CD 3.43Å; D279-K305 WeakPolarHBondContact OD2-CE 3.47Å; D279-K305 IonicContact OD2-NZ 3.87Å; D279-K305 PolarHBondContact OD2-NZ 2.86Å; D279-R372 HydrophobicContact CB-CB 4.38Å; D279-R372 PolarHBondContact N-O 2.78Å; D279-R372 PolarHBondContact O-N 2.92Å
280V95.3Very high81.5Confident0 Ų045.1 Ų45.10%025%0.25CS..EExtended strand (participates in β ladder)trans-139.3132.2172.2175.30000107.2M259 L261 S303 C304 Y321 V369 I370 C371 C374 V376M259-V280 HydrophobicContact CE-CG1 3.81Å; M259-V280 HydrophobicContact SD-CG1 3.72Å; L261-V280 HydrophobicContact CD1-CG2 3.98Å; V280-S303 CarbonylContact O-C 3.53Å; V280-S303 VanDerWaalsContact O-CA 3.27Å; V280-S303 WeakPolarHBondContact O-CA 3.27Å; V280-C304 PolarHBondContact O-N 3.16Å; V280-Y321 PolarHBondContact O-OH 2.66Å; V280-Y321 VanDerWaalsContact O-OH 3.14Å; V280-V369 HydrophobicContact CG1-CG2 4.02Å; V280-I370 WeakPolarHBondContact CA-O 3.49Å; V280-C371 HydrophobicContact CG2-CB 4.31Å; V280-C374 HydrophobicContact CG2-CB 3.4Å; V280-C374 VanDerWaalsContact CG2-CB 3.4Å; V280-V376 HydrophobicContact CG1-CG1 3.97Å; V280-V376 HydrophobicContact CG2-CG1 4.17Å
281Q95.4Very high82.5Confident13 Ų1346.1 Ų46.16%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-120.7136167.6-41.9-170.9-14.200110W241 L293 Y302 V369 I370W241-Q281 HydrophobicContact CH2-CG 4.15Å; W241-Q281 HydrophobicContact CZ3-CG 4.07Å; Q281-L293 HydrophobicContact CB-CD2 4.23Å; Q281-Y302 CarbonylContact C-O 3.43Å; Q281-Y302 VanDerWaalsContact CA-O 3.23Å; Q281-Y302 WeakPolarHBondContact CA-O 3.48Å; Q281-V369 CarbonylContact O-C 3.54Å; Q281-V369 WeakPolarHBondContact O-CA 3.29Å; Q281-V369 WeakPolarHBondContact O-CG2 3.42Å; Q281-I370 HydrophobicContact CB-CD1 4.16Å; Q281-I370 HydrophobicContact CB-CG1 3.71Å; Q281-I370 HydrophobicContact CG-CD1 4.04Å; Q281-I370 HydrophobicContact CG-CG1 3.97Å; Q281-I370 PolarHBondContact N-O 3.32Å; Q281-I370 PolarHBondContact O-N 3.13Å
282V97.9Very high84Confident0 Ų042.2 Ų42.20%023%0.227CC..EExtended strand (participates in β ladder)trans-131.7149.9-178.368.10000111F257 M259 Y302 I327 F378F257-V282 HydrophobicContact CE2-CG2 3.75Å; F257-V282 HydrophobicContact CZ-CG2 3.92Å; M259-V282 HydrophobicContact CB-CG2 3.96Å; M259-V282 HydrophobicContact CE-CB 3.94Å; M259-V282 HydrophobicContact CE-CG1 3.78Å; M259-V282 HydrophobicContact CE-CG2 4.41Å; M259-V282 HydrophobicContact CG-CG2 4.36Å; M259-V282 HydrophobicContact SD-CB 3.65Å; M259-V282 HydrophobicContact SD-CG1 4.17Å; M259-V282 HydrophobicContact SD-CG2 3.71Å; V282-Y302 PolarHBondContact N-O 2.96Å; V282-Y302 PolarHBondContact O-N 3.12Å; V282-I327 HydrophobicContact CG1-CB 4.38Å; V282-I327 HydrophobicContact CG1-CG2 4.03Å; V282-F378 HydrophobicContact CG2-CE1 4.45Å
283G97.7Very high85.9Confident0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans160.1-132.1176.100000112Y300 P367 H368G283-Y300 CarbonylContact C-O 3.46Å; G283-Y300 WeakPolarHBondContact CA-O 3.47Å; G283-P367 WeakPolarHBondContact O-CA 3.46Å; G283-H368 PolarHBondContact N-O 3.1Å; G283-H368 PolarHBondContact O-N 2.78Å
284W97.9Very high87.7Confident0 Ų029.8 Ų29.80%016%0.163CC..EExtended strand (participates in β ladder)trans-135.3140.3-164.1-60.497000112.3V250 F257 Y300 L330 I331 L340 L365 F366 P367 L397V250-W284 HydrophobicContact CG2-CZ3 4.21Å; F257-W284 AromaticContact CD1-CH2 3.6Å; F257-W284 HydrophobicContact CD1-CH2 3.6Å; F257-W284 AromaticContact CD1-CZ2 3.54Å; F257-W284 HydrophobicContact CD1-CZ2 3.54Å; F257-W284 HydrophobicContact CD1-CZ3 4.28Å; F257-W284 HydrophobicContact CE1-CD2 4.1Å; F257-W284 AromaticContact CE1-CE2 3.68Å; F257-W284 HydrophobicContact CE1-CE3 4.33Å; F257-W284 AromaticContact CE1-CH2 3.82Å; F257-W284 HydrophobicContact CE1-CH2 3.82Å; F257-W284 AromaticContact CE1-CZ2 3.53Å; F257-W284 HydrophobicContact CE1-CZ2 3.53Å; F257-W284 HydrophobicContact CE1-CZ3 4.21Å; W284-Y300 PolarHBondContact N-O 2.85Å; W284-Y300 PolarHBondContact O-N 3.27Å; W284-L330 PolarHBondContact NE1-O 2.84Å; W284-I331 HydrophobicContact CD2-CB 4.31Å; W284-I331 HydrophobicContact CD2-CD1 4Å; W284-I331 HydrophobicContact CD2-CG2 4.41Å; W284-I331 HydrophobicContact CE3-CD1 4.1Å; W284-I331 HydrophobicContact CE3-CG2 4.46Å; W284-I331 HydrophobicContact CG-CD1 4.3Å; W284-I331 HydrophobicContact CH2-CB 4.29Å; W284-I331 HydrophobicContact CH2-CG2 3.43Å; W284-I331 VanDerWaalsContact CH2-CG2 3.43Å; W284-I331 HydrophobicContact CZ2-CB 3.77Å; W284-I331 HydrophobicContact CZ2-CG2 3.34Å; W284-I331 HydrophobicContact CZ3-CG2 4.01Å; W284-L340 HydrophobicContact CG-CD2 4.23Å; W284-L365 HydrophobicContact CB-CB 4.29Å; W284-L365 HydrophobicContact CE3-CB 4.41Å; W284-F366 WeakPolarHBondContact CA-O 3.3Å; W284-P367 HydrophobicContact CE3-CG 4.43Å; W284-P367 HydrophobicContact CH2-CG 4.38Å; W284-P367 HydrophobicContact CZ3-CG 3.9Å; W284-L397 HydrophobicContact CH2-CD1 3.96Å; W284-L397 HydrophobicContact CH2-CD2 4.38Å; W284-L397 HydrophobicContact CH2-CG 4.43Å; W284-L397 HydrophobicContact CZ3-CD1 4.17Å
285S97.1Very high89.6Confident3 Ų323.7 Ų23.72%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-152.7163.2173.270.90000113.9K245 F298 F366 H368K245-S285 WeakPolarHBondContact CE-OG 3.41Å; S285-F298 WeakPolarHBondContact CA-O 3.43Å; S285-F366 PolarHBondContact N-O 3.44Å; S285-F366 PolarHBondContact O-N 3.14Å; S285-H368 WeakPolarHBondContact CB-ND1 3.48Å; S285-H368 PolarHBondContact OG-ND1 3.2Å
286L94.9Very high91Very high21 Ų2123.9 Ų23.911%0.1113%0.129CC..EExtended strand (participates in β ladder)trans-62.3149172.8-65.8177.1000112.2K245 T288 G289 F298 L360 Q363 L365K245-L286 PolarHBondContact NZ-O 3.42Å; L286-T288 PolarHBondContact O-N 2.82Å; L286-G289 PolarHBondContact O-N 2.99Å; L286-F298 HydrophobicContact CD1-CB 3.68Å; L286-F298 HydrophobicContact CD1-CD2 3.89Å; L286-F298 HydrophobicContact CD1-CG 4.13Å; L286-F298 HydrophobicContact CD2-CB 4.39Å; L286-F298 HydrophobicContact CG-CB 3.73Å; L286-F298 PolarHBondContact N-O 3.27Å; L286-L360 HydrophobicContact CD2-CD2 4.12Å; L286-Q363 HydrophobicContact CD2-CB 3.66Å; L286-Q363 HydrophobicContact CD2-CG 4.47Å; L286-L365 HydrophobicContact CD2-CD2 4.01Å; L286-L365 HydrophobicContact CG-CD2 4.28Å
287S91.1Very high92Very high22 Ų2223.4 Ų23.415%0.15413%0.127CC..THydrogen-bonded Turntrans-56.7-48179.8-173.20000113.1K245K245-S287 PolarHBondContact NZ-O 2.86Å; K245-S287 VanDerWaalsContact NZ-O 3.11Å
288T86.8Confident92.6Very high60 Ų6024.3 Ų24.337%0.36813%0.13SC..THydrogen-bonded Turntrans-83.2-10-172.547.20000115.4L286 L409 P443L286-T288 PolarHBondContact O-N 2.82Å; T288-L409 HydrophobicContact CG2-CD1 4.06Å; T288-P443 HydrophobicContact CG2-CB 3.84Å
289G82.7Confident92.9Very high21 Ų2122.3 Ų22.322%0.21612%0.121CC..SBendtrans-72.1173.5179.600000113.4K245 L286 E296K245-G289 PolarHBondContact NZ-O 3.13Å; L286-G289 PolarHBondContact O-N 2.99Å; G289-E296 WeakPolarHBondContact CA-OE2 3.4Å
290T88.6Confident93.2Very high40 Ų4022.7 Ų22.725%0.24512%0.122CC..  trans-51160.3177.6-173.40000113.8K245 L292 E295 E296 H368K245-T290 WeakPolarHBondContact CE-O 3.42Å; K245-T290 PolarHBondContact NZ-O 2.87Å; T290-L292 VanDerWaalsContact C-N 3.28Å; T290-L292 HydrophobicContact CG2-CB 4.08Å; T290-L292 WeakPolarHBondContact CG2-O 3.44Å; T290-L292 PolarHBondContact OG1-N 2.9Å; T290-E295 HydrophobicContact CG2-CB 4.47Å; T290-E296 VanDerWaalsContact CB-OE1 3.3Å; T290-E296 WeakPolarHBondContact CB-OE1 3.31Å; T290-E296 HydrophobicContact CG2-CB 4.24Å; T290-E296 HydrophobicContact CG2-CG 3.67Å; T290-E296 PolarHBondContact N-OE1 2.67Å; T290-E296 PolarHBondContact N-OE2 3.09Å; T290-H368 VanDerWaalsContact C-CE1 3.42Å; T290-H368 PolarHBondContact O-CE1 3.13Å
291L92.3Very high93.3Very high25 Ų2522.7 Ų22.713%0.13112%0.122CC..SBendtrans-87.95.6169.6-68.7170.4000112.7N215 D217 K245 H368 I370 Y447N215-L291 WeakPolarHBondContact O-CD2 3.3Å; D217-L291 VanDerWaalsContact OD1-CD1 3.25Å; D217-L291 WeakPolarHBondContact OD1-CD1 3.35Å; K245-L291 HydrophobicContact CD-CD2 4.46Å; K245-L291 HydrophobicContact CG-CD2 4.22Å; L291-H368 WeakPolarHBondContact CA-CE1 3.46Å; L291-H368 WeakPolarHBondContact CA-NE2 3.44Å; L291-H368 PolarHBondContact O-CE1 2.86Å; L291-H368 PolarHBondContact O-NE2 3.25Å; L291-I370 WeakPolarHBondContact O-CG2 3.31Å; L291-Y447 HydrophobicContact CD1-CE2 4.01Å
292L92.3Very high93.4Very high12 Ų1222.4 Ų22.46%0.06312%0.121CC..SBendtrans-96.795.5169.9-61.4178.1000109.9W241 T290 G294 E295 H368 D456 K457 I460W241-L292 HydrophobicContact CB-CD2 4.39Å; T290-L292 VanDerWaalsContact C-N 3.28Å; T290-L292 HydrophobicContact CG2-CB 4.08Å; T290-L292 WeakPolarHBondContact CG2-O 3.44Å; T290-L292 PolarHBondContact OG1-N 2.9Å; L292-G294 PolarHBondContact O-N 3.11Å; L292-E295 HydrophobicContact CB-CB 4.01Å; L292-E295 HydrophobicContact CB-CG 3.85Å; L292-E295 WeakPolarHBondContact O-CB 3.2Å; L292-E295 PolarHBondContact O-N 2.9Å; L292-H368 PolarHBondContact N-CE1 3.28Å; L292-H368 VanDerWaalsContact N-CE1 3.31Å; L292-D456 HydrophobicContact CD1-CB 4.49Å; L292-K457 HydrophobicContact CD2-CG 4.15Å; L292-I460 HydrophobicContact CD2-CD1 4.16Å; L292-I460 HydrophobicContact CD2-CG1 4.17Å
293L94.9Very high93.2Very high0 Ų022.5 Ų22.50%012%0.122CC..THydrogen-bonded Turntrans-56.5138.2178.8-177.359.5000111Q281 E295 H368 I370Q281-L293 HydrophobicContact CB-CD2 4.23Å; L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 PolarHBondContact O-N 2.9Å; L293-H368 HydrophobicContact CD1-CB 4Å; L293-H368 WeakPolarHBondContact CD2-O 3.44Å; L293-H368 PolarHBondContact N-CE1 3.09Å; L293-I370 HydrophobicContact CB-CD1 4.13Å; L293-I370 HydrophobicContact CB-CG1 4.05Å; L293-I370 HydrophobicContact CB-CG2 3.93Å
294G92.9Very high93Very high0 Ų022.8 Ų22.80%012%0.124CC..THydrogen-bonded Turntrans84.2-11.6-179.400000115.6L292 S299 T310 N311 C312L292-G294 PolarHBondContact O-N 3.11Å; G294-S299 WeakPolarHBondContact CA-O 3.37Å; G294-S299 PolarHBondContact N-OG 2.85Å; G294-T310 CarbonylContact O-C 3.54Å; G294-T310 VanDerWaalsContact O-C 3.27Å; G294-T310 WeakPolarHBondContact O-CA 3.31Å; G294-N311 PolarHBondContact O-N 2.94Å; G294-C312 PolarHBondContact O-N 3.04Å
295E91.1Very high92.7Very high14 Ų1425 Ų257%0.06513%0.133CC..SBendtrans-93.9-0.4-171.1-67.3-71.7117.300115.5T290 L292 L293 C312 I460 N461 S462T290-E295 HydrophobicContact CG2-CB 4.47Å; L292-E295 HydrophobicContact CB-CB 4.01Å; L292-E295 HydrophobicContact CB-CG 3.85Å; L292-E295 WeakPolarHBondContact O-CB 3.2Å; L292-E295 PolarHBondContact O-N 2.9Å; L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 PolarHBondContact O-N 2.9Å; E295-C312 VanDerWaalsContact CD-SG 3.52Å; E295-C312 PolarHBondContact O-SG 2.87Å; E295-C312 PolarHBondContact OE2-SG 2.89Å; E295-I460 HydrophobicContact CG-CG2 3.49Å; E295-I460 VanDerWaalsContact CG-CG2 3.49Å; E295-I460 WeakPolarHBondContact OE1-CG2 3.41Å; E295-N461 VanDerWaalsContact OE2-CA 3.31Å; E295-N461 WeakPolarHBondContact OE2-CA 3.48Å; E295-N461 WeakPolarHBondContact OE2-CB 3.43Å; E295-N461 VanDerWaalsContact OE2-CG 3.31Å; E295-N461 PolarHBondContact OE2-N 2.63Å; E295-N461 PolarHBondContact OE2-ND2 3.45Å; E295-S462 WeakPolarHBondContact OE1-CB 3.49Å; E295-S462 PolarHBondContact OE1-N 3.19Å; E295-S462 VanDerWaalsContact OE1-N 3.13Å; E295-S462 PolarHBondContact OE1-OG 2.83Å
296E91.2Very high92.5Very high79 Ų7925.3 Ų25.337%0.36914%0.136SC..SBendtrans-129.9164.8176.4-79.1177-179.100110G289 T290 S299 N311G289-E296 WeakPolarHBondContact CA-OE2 3.4Å; T290-E296 VanDerWaalsContact CB-OE1 3.3Å; T290-E296 WeakPolarHBondContact CB-OE1 3.31Å; T290-E296 HydrophobicContact CG2-CB 4.24Å; T290-E296 HydrophobicContact CG2-CG 3.67Å; T290-E296 PolarHBondContact N-OE1 2.67Å; T290-E296 PolarHBondContact N-OE2 3.09Å; E296-S299 WeakPolarHBondContact O-CB 3.28Å; E296-S299 PolarHBondContact O-N 3.28Å; E296-N311 PolarHBondContact O-N 3.45Å
297E90.2Very high92.5Very high123 Ų12327.3 Ų27.358%0.57514%0.144SC*.THydrogen-bonded Turntrans-58.8145.3164.8-158.8-179.5179.700109.9S299E297-S299 PolarHBondContact O-N 2.68Å
298F93.7Very high92.7Very high27 Ų2728 Ų2812%0.11814%0.144CC..THydrogen-bonded Turntrans57.729.4-174.9-43.8-69.1000114.9S285 L286 Y300 V355 C359 L360S285-F298 WeakPolarHBondContact CA-O 3.43Å; L286-F298 HydrophobicContact CD1-CB 3.68Å; L286-F298 HydrophobicContact CD1-CD2 3.89Å; L286-F298 HydrophobicContact CD1-CG 4.13Å; L286-F298 HydrophobicContact CD2-CB 4.39Å; L286-F298 HydrophobicContact CG-CB 3.73Å; L286-F298 PolarHBondContact N-O 3.27Å; F298-Y300 HydrophobicContact CB-CE2 4.31Å; F298-Y300 WeakPolarHBondContact CD1-OH 3.35Å; F298-V355 HydrophobicContact CE1-CG1 4.42Å; F298-C359 HydrophobicContact CE1-CB 3.8Å; F298-C359 HydrophobicContact CZ-CB 3.97Å; F298-C359 WeakPolarHBondContact CZ-O 3.49Å; F298-L360 HydrophobicContact CB-CD2 3.94Å; F298-L360 HydrophobicContact CD1-CD2 3.39Å; F298-L360 HydrophobicContact CD1-CG 4.09Å; F298-L360 HydrophobicContact CE1-CD2 4.09Å; F298-L360 HydrophobicContact CE1-CG 4.37Å; F298-L360 HydrophobicContact CG-CD2 3.74Å
299S96.3Very high93.1Very high3 Ų325.1 Ų25.12%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-125.3113.9173.4-166.70000109.2G294 E296 E297 T310G294-S299 WeakPolarHBondContact CA-O 3.37Å; G294-S299 PolarHBondContact N-OG 2.85Å; E296-S299 WeakPolarHBondContact O-CB 3.28Å; E296-S299 PolarHBondContact O-N 3.28Å; E297-S299 PolarHBondContact O-N 2.68Å; S299-T310 WeakPolarHBondContact O-CA 3.48Å; S299-T310 PolarHBondContact O-OG1 2.96Å
300Y97.1Very high93.7Very high13 Ų1325.9 Ų25.95%0.05113%0.127CC..EExtended strand (participates in β ladder)trans-124107.3-165.5-55.6-78.4000110.4G283 W284 F298 L340 F353 V355 L365G283-Y300 CarbonylContact C-O 3.46Å; G283-Y300 WeakPolarHBondContact CA-O 3.47Å; W284-Y300 PolarHBondContact N-O 2.85Å; W284-Y300 PolarHBondContact O-N 3.27Å; F298-Y300 HydrophobicContact CB-CE2 4.31Å; F298-Y300 WeakPolarHBondContact CD1-OH 3.35Å; Y300-L340 HydrophobicContact CD1-CD1 3.94Å; Y300-L340 HydrophobicContact CD2-CD1 3.38Å; Y300-L340 HydrophobicContact CE2-CD1 4Å; Y300-L340 HydrophobicContact CG-CD1 3.34Å; Y300-F353 HydrophobicContact CD1-CB 4.14Å; Y300-F353 AromaticContact CD1-CD1 3.84Å; Y300-F353 HydrophobicContact CD1-CD1 3.84Å; Y300-F353 AromaticContact CD1-CD2 3.92Å; Y300-F353 HydrophobicContact CD1-CD2 3.92Å; Y300-F353 HydrophobicContact CD1-CE1 4.13Å; Y300-F353 HydrophobicContact CD1-CE2 4.21Å; Y300-F353 AromaticContact CD1-CG 3.7Å; Y300-F353 HydrophobicContact CD1-CG 3.7Å; Y300-F353 HydrophobicContact CD1-CZ 4.28Å; Y300-F353 HydrophobicContact CE1-CB 4.45Å; Y300-F353 HydrophobicContact CE1-CD1 4.44Å; Y300-F353 HydrophobicContact CE1-CG 4.4Å; Y300-F353 HydrophobicContact CG-CD2 4.22Å; Y300-F353 HydrophobicContact CG-CE2 4.41Å; Y300-F353 HydrophobicContact CG-CG 4.43Å; Y300-V355 HydrophobicContact CE1-CG2 3.87Å; Y300-V355 VanDerWaalsContact OH-CG2 3.32Å; Y300-V355 WeakPolarHBondContact OH-CG2 3.37Å; Y300-L365 HydrophobicContact CE2-CD1 4.3Å
301G96.8Very high93.9Very high0 Ų028.4 Ų28.40%014%0.139CC..EExtended strand (participates in β ladder)trans-115.6148.5-179.100000113.6K308 T309G301-K308 CarbonylContact O-C 3.55Å; G301-K308 VanDerWaalsContact O-CA 3.26Å; G301-K308 WeakPolarHBondContact O-CA 3.42Å; G301-T309 PolarHBondContact N-O 3.14Å; G301-T309 PolarHBondContact O-N 3.35Å
302Y97.1Very high93.8Very high7 Ų728 Ų283%0.02714%0.138CC..EExtended strand (participates in β ladder)trans-121.9121.9168.5170.8-139.1000108.9Q281 V282 K307 F317 E319 Y321 I327 F342Q281-Y302 CarbonylContact C-O 3.43Å; Q281-Y302 VanDerWaalsContact CA-O 3.23Å; Q281-Y302 WeakPolarHBondContact CA-O 3.48Å; V282-Y302 PolarHBondContact N-O 2.96Å; V282-Y302 PolarHBondContact O-N 3.12Å; Y302-K307 CarbonylContact C-O 3.51Å; Y302-K307 WeakPolarHBondContact CA-O 3.19Å; Y302-F317 AromaticContact CD2-CD1 3.73Å; Y302-F317 HydrophobicContact CD2-CD1 3.73Å; Y302-F317 HydrophobicContact CD2-CE1 4.14Å; Y302-F317 AromaticContact CE2-CD1 3.82Å; Y302-F317 HydrophobicContact CE2-CD1 3.82Å; Y302-F317 HydrophobicContact CE2-CE1 4.16Å; Y302-F317 WeakPolarHBondContact CE2-O 3.24Å; Y302-F317 HydrophobicContact CG-CD1 4.39Å; Y302-F317 HydrophobicContact CG-CE1 4.42Å; Y302-E319 PolarHBondContact OH-N 2.79Å; Y302-E319 PolarHBondContact OH-O 2.73Å; Y302-Y321 AromaticContact CD1-CE1 3.98Å; Y302-Y321 HydrophobicContact CD1-CE1 3.98Å; Y302-Y321 AromaticContact CE1-CD1 3.98Å; Y302-Y321 HydrophobicContact CE1-CD1 3.98Å; Y302-Y321 AromaticContact CE1-CE1 3.74Å; Y302-Y321 HydrophobicContact CE1-CE1 3.74Å; Y302-Y321 HydrophobicContact CE2-CE1 4.41Å; Y302-Y321 HydrophobicContact CG-CE1 4.43Å; Y302-Y321 AromaticContact CZ-CD1 3.99Å; Y302-Y321 AromaticContact CZ-CE1 3.99Å; Y302-Y321 PolarHBondContact O-OH 2.88Å; Y302-I327 HydrophobicContact CD1-CG2 3.91Å; Y302-I327 HydrophobicContact CE1-CD1 4.18Å; Y302-I327 HydrophobicContact CE1-CG2 4.01Å; Y302-F342 HydrophobicContact CD1-CB 3.79Å; Y302-F342 AromaticContact CD1-CD1 3.67Å; Y302-F342 HydrophobicContact CD1-CD1 3.67Å; Y302-F342 HydrophobicContact CD1-CD2 4.25Å; Y302-F342 HydrophobicContact CD1-CE1 4.28Å; Y302-F342 AromaticContact CD1-CG 3.64Å; Y302-F342 HydrophobicContact CD1-CG 3.64Å; Y302-F342 HydrophobicContact CE1-CB 3.99Å; Y302-F342 HydrophobicContact CE1-CG 4.35Å; Y302-F342 HydrophobicContact CG-CD1 4.25Å; Y302-F342 HydrophobicContact CG-CD2 4.32Å; Y302-F342 HydrophobicContact CG-CE1 4.5Å; Y302-F342 HydrophobicContact CG-CG 4.15Å
303S94.9Very high93.7Very high3 Ų330.8 Ų30.82%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-91.2149.6-176.5172.20000112.2D279 V280 K305 G306 K307 Y321D279-S303 PolarHBondContact OD1-OG 2.69Å; V280-S303 CarbonylContact O-C 3.53Å; V280-S303 VanDerWaalsContact O-CA 3.27Å; V280-S303 WeakPolarHBondContact O-CA 3.27Å; S303-K305 PolarHBondContact O-N 3Å; S303-K305 PolarHBondContact OG-N 2.64Å; S303-K305 VanDerWaalsContact OG-N 3.15Å; S303-G306 PolarHBondContact O-N 2.87Å; S303-K307 PolarHBondContact N-O 3.13Å; S303-Y321 VanDerWaalsContact C-CE1 3.46Å; S303-Y321 WeakPolarHBondContact O-CE1 3.3Å
304C93.2Very high93.6Very high6 Ų632.3 Ų32.34%0.04117%0.165CC..THydrogen-bonded Turntrans-55.2-13.8169.371.20000114.5V280 G306 T320 Y321V280-C304 PolarHBondContact O-N 3.16Å; C304-G306 VanDerWaalsContact C-N 3.32Å; C304-T320 CarbonylContact O-C 3.52Å; C304-T320 VanDerWaalsContact O-CA 3.24Å; C304-T320 WeakPolarHBondContact O-CA 3.5Å; C304-T320 WeakPolarHBondContact O-CB 3.48Å; C304-Y321 HydrophobicContact CB-CD1 4.37Å; C304-Y321 HydrophobicContact CB-CD2 3.64Å; C304-Y321 HydrophobicContact CB-CE1 4.2Å; C304-Y321 HydrophobicContact CB-CE2 3.4Å; C304-Y321 VanDerWaalsContact CB-CE2 3.4Å; C304-Y321 HydrophobicContact CB-CG 4.11Å; C304-Y321 WeakPolarHBondContact CB-O 3.23Å; C304-Y321 VanDerWaalsContact N-CZ 3.27Å; C304-Y321 PolarHBondContact N-OH 2.74Å; C304-Y321 PolarHBondContact O-N 2.85Å
305K91.4Very high93.6Very high47 Ų4737.1 Ų37.120%0.20419%0.188CC..EExtended strand (participates in β ladder)trans-8811.5177.3-61.7179.2-178.7169.20114.3E276 D279 S303 K307E276-K305 WeakPolarHBondContact OE2-CE 3.28Å; E276-K305 IonicContact OE2-NZ 2.74Å; E276-K305 PolarHBondContact OE2-NZ 3.27Å; D279-K305 WeakPolarHBondContact OD2-CD 3.43Å; D279-K305 WeakPolarHBondContact OD2-CE 3.47Å; D279-K305 IonicContact OD2-NZ 3.87Å; D279-K305 PolarHBondContact OD2-NZ 2.86Å; S303-K305 PolarHBondContact O-N 3Å; S303-K305 PolarHBondContact OG-N 2.64Å; S303-K305 VanDerWaalsContact OG-N 3.15Å; K305-K307 HydrophobicContact CB-CG 4.43Å
306G93.5Very high93.8Very high8 Ų842.4 Ų42.48%0.08222%0.216CC..EExtended strand (participates in β ladder)trans67.843.9-177.400000111.9S303 C304 F317 E319S303-G306 PolarHBondContact O-N 2.87Å; C304-G306 VanDerWaalsContact C-N 3.32Å; G306-F317 CarbonylContact C-O 3.59Å; G306-F317 VanDerWaalsContact CA-O 3.31Å; G306-F317 WeakPolarHBondContact CA-O 3.33Å; G306-F317 PolarHBondContact O-N 2.93Å; G306-E319 VanDerWaalsContact CA-O 3.24Å; G306-E319 WeakPolarHBondContact CA-O 3.27Å
307K94.3Very high94Very high63 Ų6340 Ų4027%0.27420%0.204SC..EExtended strand (participates in β ladder)trans-136.7135.4-177.6-57.5-167.9-178-113.50111.8Y302 S303 K305 T314 E315 D316Y302-K307 CarbonylContact C-O 3.51Å; Y302-K307 WeakPolarHBondContact CA-O 3.19Å; S303-K307 PolarHBondContact N-O 3.13Å; K305-K307 HydrophobicContact CB-CG 4.43Å; K307-T314 HydrophobicContact CB-CG2 3.82Å; K307-T314 HydrophobicContact CD-CG2 3.84Å; K307-T314 HydrophobicContact CG-CG2 4.4Å; K307-E315 CarbonylContact C-O 3.59Å; K307-E315 VanDerWaalsContact CA-O 3.24Å; K307-E315 WeakPolarHBondContact CA-O 3.48Å; K307-D316 VanDerWaalsContact CE-OD1 3.27Å; K307-D316 WeakPolarHBondContact CE-OD1 3.38Å; K307-D316 IonicContact NZ-OD1 3.26Å; K307-D316 PolarHBondContact NZ-OD1 2.76Å
308K95.6Very high94.1Very high37 Ų3736.6 Ų36.616%0.16120%0.203CC..EExtended strand (participates in β ladder)trans-99.3142.8171.570.4179.6-179.6171.50109.8G301 T314 E315 F317 A352 F353G301-K308 CarbonylContact O-C 3.55Å; G301-K308 VanDerWaalsContact O-CA 3.26Å; G301-K308 WeakPolarHBondContact O-CA 3.42Å; K308-T314 WeakPolarHBondContact O-CA 3.24Å; K308-E315 WeakPolarHBondContact CE-OE2 3.31Å; K308-E315 HydrophobicContact CG-CB 4.13Å; K308-E315 PolarHBondContact N-O 2.95Å; K308-E315 IonicContact NZ-OE2 2.66Å; K308-E315 PolarHBondContact NZ-OE2 3.37Å; K308-E315 PolarHBondContact O-N 2.82Å; K308-F317 HydrophobicContact CB-CB 3.73Å; K308-F317 HydrophobicContact CB-CD1 4.04Å; K308-F317 HydrophobicContact CB-CG 3.97Å; K308-F317 HydrophobicContact CD-CB 3.75Å; K308-F317 HydrophobicContact CD-CD2 4.05Å; K308-F317 HydrophobicContact CD-CG 3.86Å; K308-F317 HydrophobicContact CG-CB 3.6Å; K308-F317 HydrophobicContact CG-CG 4.1Å; K308-A352 HydrophobicContact CD-CB 4.19Å; K308-A352 WeakPolarHBondContact CD-O 3.48Å; K308-A352 PolarHBondContact NZ-O 3.33Å; K308-F353 HydrophobicContact CB-CE1 4.16Å; K308-F353 HydrophobicContact CB-CE2 4.26Å; K308-F353 HydrophobicContact CB-CZ 3.64Å; K308-F353 HydrophobicContact CD-CD1 4.43Å; K308-F353 HydrophobicContact CD-CE1 3.98Å; K308-F353 HydrophobicContact CD-CZ 4.23Å; K308-F353 HydrophobicContact CG-CE1 4.14Å; K308-F353 HydrophobicContact CG-CZ 4.14Å
309T94.7Very high94.1Very high0 Ų040.9 Ų40.90%022%0.223CC..EExtended strand (participates in β ladder)trans-134.8133.3-178.5-56.20000111.5G301 V313 T314G301-T309 PolarHBondContact N-O 3.14Å; G301-T309 PolarHBondContact O-N 3.35Å; T309-V313 CarbonylContact C-O 3.54Å; T309-V313 VanDerWaalsContact CA-O 3.23Å; T309-V313 WeakPolarHBondContact CA-O 3.47Å; T309-V313 WeakPolarHBondContact CG2-O 3.39Å; T309-T314 VanDerWaalsContact CG2-OG1 3.31Å; T309-T314 WeakPolarHBondContact CG2-OG1 3.24Å; T309-T314 WeakPolarHBondContact OG1-CG2 3.42Å; T309-T314 PolarHBondContact OG1-OG1 3.47Å
310T95Very high94Very high37 Ų3744.7 Ų44.723%0.22725%0.246CC..EExtended strand (participates in β ladder)trans-152.1142.4173.9179.10000110.4G294 S299 C312 V313 F353G294-T310 CarbonylContact O-C 3.54Å; G294-T310 VanDerWaalsContact O-C 3.27Å; G294-T310 WeakPolarHBondContact O-CA 3.31Å; S299-T310 WeakPolarHBondContact O-CA 3.48Å; S299-T310 PolarHBondContact O-OG1 2.96Å; T310-C312 PolarHBondContact O-N 3.07Å; T310-V313 PolarHBondContact N-O 3.5Å; T310-V313 WeakPolarHBondContact O-CA 3.23Å; T310-V313 WeakPolarHBondContact O-CB 3.24Å; T310-V313 PolarHBondContact O-N 3.36Å; T310-F353 HydrophobicContact CG2-CD1 4.05Å; T310-F353 HydrophobicContact CG2-CE1 3.58Å
311N92.5Very high93.9Very high92 Ų9244 Ų4449%0.49224%0.244SC..THydrogen-bonded Turntrans47.944-178.3-162.313.1000113.9G294 E296 V313G294-N311 PolarHBondContact O-N 2.94Å; E296-N311 PolarHBondContact O-N 3.45Å; N311-V313 PolarHBondContact O-N 3.42Å
312C90.4Very high93.8Very high16 Ų1648.5 Ų48.511%0.10826%0.264CS..THydrogen-bonded Turntrans60.5-1-171.5-57.80000115.8G294 E295 T310 N461 S462 R465G294-C312 PolarHBondContact O-N 3.04Å; E295-C312 VanDerWaalsContact CD-SG 3.52Å; E295-C312 PolarHBondContact O-SG 2.87Å; E295-C312 PolarHBondContact OE2-SG 2.89Å; T310-C312 PolarHBondContact O-N 3.07Å; C312-N461 HydrophobicContact CB-CB 4.45Å; C312-S462 WeakPolarHBondContact O-CB 3.5Å; C312-R465 PolarHBondContact O-NH2 3.47Å
313V91.2Very high93.7Very high71 Ų7152.3 Ų52.343%0.4328%0.283SS..EExtended strand (participates in β ladder)trans-87.2128.3177.8-178.90000108.4T309 T310 N311 E315T309-V313 CarbonylContact C-O 3.54Å; T309-V313 VanDerWaalsContact CA-O 3.23Å; T309-V313 WeakPolarHBondContact CA-O 3.47Å; T309-V313 WeakPolarHBondContact CG2-O 3.39Å; T310-V313 PolarHBondContact N-O 3.5Å; T310-V313 WeakPolarHBondContact O-CA 3.23Å; T310-V313 WeakPolarHBondContact O-CB 3.24Å; T310-V313 PolarHBondContact O-N 3.36Å; N311-V313 PolarHBondContact O-N 3.42Å; V313-E315 HydrophobicContact CG1-CG 4.44Å
314T91.9Very high93.8Very high32 Ų3256.6 Ų56.620%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-119.8126.9-178.9-60.10000109.7K307 K308 T309 S462K307-T314 HydrophobicContact CB-CG2 3.82Å; K307-T314 HydrophobicContact CD-CG2 3.84Å; K307-T314 HydrophobicContact CG-CG2 4.4Å; K308-T314 WeakPolarHBondContact O-CA 3.24Å; T309-T314 VanDerWaalsContact CG2-OG1 3.31Å; T309-T314 WeakPolarHBondContact CG2-OG1 3.24Å; T309-T314 WeakPolarHBondContact OG1-CG2 3.42Å; T309-T314 PolarHBondContact OG1-OG1 3.47Å; T314-S462 VanDerWaalsContact OG1-CB 3.3Å; T314-S462 WeakPolarHBondContact OG1-CB 3.42Å
315E93.6Very high94Very high102 Ų10257.7 Ų57.748%0.47731%0.311SS..EExtended strand (participates in β ladder)trans-124151.4-179.7-65173.517900109.4K307 K308 V313K307-E315 CarbonylContact C-O 3.59Å; K307-E315 VanDerWaalsContact CA-O 3.24Å; K307-E315 WeakPolarHBondContact CA-O 3.48Å; K308-E315 WeakPolarHBondContact CE-OE2 3.31Å; K308-E315 HydrophobicContact CG-CB 4.13Å; K308-E315 PolarHBondContact N-O 2.95Å; K308-E315 IonicContact NZ-OE2 2.66Å; K308-E315 PolarHBondContact NZ-OE2 3.37Å; K308-E315 PolarHBondContact O-N 2.82Å; V313-E315 HydrophobicContact CG1-CG 4.44Å
316D95.7Very high94.3Very high124 Ų12455.7 Ų55.766%0.66330%0.302SS*.EExtended strand (participates in β ladder)trans-70.7135.8173.2-60.3-35.5000109.7K307K307-D316 VanDerWaalsContact CE-OD1 3.27Å; K307-D316 WeakPolarHBondContact CE-OD1 3.38Å; K307-D316 IonicContact NZ-OD1 3.26Å; K307-D316 PolarHBondContact NZ-OD1 2.76Å
317F95.6Very high94.5Very high28 Ų2855.3 Ų55.312%0.12330%0.298CS..EExtended strand (participates in β ladder)trans-162.3135-173.6170.1-95.8000112.1Y302 G306 K308 F342 A350 V351 A352Y302-F317 AromaticContact CD2-CD1 3.73Å; Y302-F317 HydrophobicContact CD2-CD1 3.73Å; Y302-F317 HydrophobicContact CD2-CE1 4.14Å; Y302-F317 AromaticContact CE2-CD1 3.82Å; Y302-F317 HydrophobicContact CE2-CD1 3.82Å; Y302-F317 HydrophobicContact CE2-CE1 4.16Å; Y302-F317 WeakPolarHBondContact CE2-O 3.24Å; Y302-F317 HydrophobicContact CG-CD1 4.39Å; Y302-F317 HydrophobicContact CG-CE1 4.42Å; G306-F317 CarbonylContact C-O 3.59Å; G306-F317 VanDerWaalsContact CA-O 3.31Å; G306-F317 WeakPolarHBondContact CA-O 3.33Å; G306-F317 PolarHBondContact O-N 2.93Å; K308-F317 HydrophobicContact CB-CB 3.73Å; K308-F317 HydrophobicContact CB-CD1 4.04Å; K308-F317 HydrophobicContact CB-CG 3.97Å; K308-F317 HydrophobicContact CD-CB 3.75Å; K308-F317 HydrophobicContact CD-CD2 4.05Å; K308-F317 HydrophobicContact CD-CG 3.86Å; K308-F317 HydrophobicContact CG-CB 3.6Å; K308-F317 HydrophobicContact CG-CG 4.1Å; F317-F342 HydrophobicContact CE1-CB 4.4Å; F317-F342 AromaticContact CE1-CD2 3.92Å; F317-F342 HydrophobicContact CE1-CD2 3.92Å; F317-F342 HydrophobicContact CZ-CD2 4.37Å; F317-A350 HydrophobicContact CE2-CB 4.05Å; F317-A350 HydrophobicContact CZ-CB 3.68Å; F317-V351 WeakPolarHBondContact CE2-O 3.35Å; F317-A352 HydrophobicContact CD1-CB 4.19Å; F317-A352 HydrophobicContact CD2-CB 4.25Å; F317-A352 HydrophobicContact CE1-CB 3.76Å; F317-A352 HydrophobicContact CE2-CB 3.82Å; F317-A352 HydrophobicContact CG-CB 4.43Å; F317-A352 HydrophobicContact CZ-CB 3.55Å
318G92.2Very high94.6Very high52 Ų5252.7 Ų52.754%0.53629%0.288SS..EExtended strand (participates in β ladder)trans67.4-149.3175.900000112.3
319E92.3Very high94.7Very high117 Ų11751 Ų5155%0.54728%0.281SS..EExtended strand (participates in β ladder)trans-109.1163.4178.7-65-175.9-178.700111Y302 G306 K344Y302-E319 PolarHBondContact OH-N 2.79Å; Y302-E319 PolarHBondContact OH-O 2.73Å; G306-E319 VanDerWaalsContact CA-O 3.24Å; G306-E319 WeakPolarHBondContact CA-O 3.27Å; E319-K344 HydrophobicContact CB-CD 4.2Å; E319-K344 WeakPolarHBondContact OE2-CD 3.44Å; E319-K344 IonicContact OE2-NZ 2.67Å; E319-K344 PolarHBondContact OE2-NZ 2.89Å
320T95.1Very high94.9Very high83 Ų8351 Ų5151%0.50928%0.281SS..EExtended strand (participates in β ladder)trans-66.615416054.40000110.4C304 K344C304-T320 CarbonylContact O-C 3.52Å; C304-T320 VanDerWaalsContact O-CA 3.24Å; C304-T320 WeakPolarHBondContact O-CA 3.5Å; C304-T320 WeakPolarHBondContact O-CB 3.48Å; T320-K344 WeakPolarHBondContact O-CE 3.49Å; T320-K344 PolarHBondContact O-NZ 3.27Å
321Y95.2Very high95Very high0 Ų049.2 Ų49.20%027%0.27CS..  trans-137.8147173.362.8-102.9000112.3M259 L261 V280 Y302 S303 C304 D325 I327M259-Y321 HydrophobicContact CE-CE2 3.99Å; L261-Y321 HydrophobicContact CD2-CD2 4.25Å; L261-Y321 HydrophobicContact CD2-CE2 4.44Å; V280-Y321 PolarHBondContact O-OH 2.66Å; V280-Y321 VanDerWaalsContact O-OH 3.14Å; Y302-Y321 AromaticContact CD1-CE1 3.98Å; Y302-Y321 HydrophobicContact CD1-CE1 3.98Å; Y302-Y321 AromaticContact CE1-CD1 3.98Å; Y302-Y321 HydrophobicContact CE1-CD1 3.98Å; Y302-Y321 AromaticContact CE1-CE1 3.74Å; Y302-Y321 HydrophobicContact CE1-CE1 3.74Å; Y302-Y321 HydrophobicContact CE2-CE1 4.41Å; Y302-Y321 HydrophobicContact CG-CE1 4.43Å; Y302-Y321 AromaticContact CZ-CD1 3.99Å; Y302-Y321 AromaticContact CZ-CE1 3.99Å; Y302-Y321 PolarHBondContact O-OH 2.88Å; S303-Y321 VanDerWaalsContact C-CE1 3.46Å; S303-Y321 WeakPolarHBondContact O-CE1 3.3Å; C304-Y321 HydrophobicContact CB-CD1 4.37Å; C304-Y321 HydrophobicContact CB-CD2 3.64Å; C304-Y321 HydrophobicContact CB-CE1 4.2Å; C304-Y321 HydrophobicContact CB-CE2 3.4Å; C304-Y321 VanDerWaalsContact CB-CE2 3.4Å; C304-Y321 HydrophobicContact CB-CG 4.11Å; C304-Y321 WeakPolarHBondContact CB-O 3.23Å; C304-Y321 VanDerWaalsContact N-CZ 3.27Å; C304-Y321 PolarHBondContact N-OH 2.74Å; C304-Y321 PolarHBondContact O-N 2.85Å; Y321-D325 VanDerWaalsContact CA-OD2 3.24Å; Y321-D325 WeakPolarHBondContact CA-OD2 3.3Å; Y321-D325 WeakPolarHBondContact CB-OD2 3.33Å; Y321-I327 HydrophobicContact CD1-CD1 3.54Å; Y321-I327 HydrophobicContact CD1-CG1 3.75Å; Y321-I327 HydrophobicContact CD2-CD1 4.31Å; Y321-I327 HydrophobicContact CD2-CG1 4.03Å; Y321-I327 HydrophobicContact CE1-CD1 4.01Å; Y321-I327 HydrophobicContact CE1-CG1 3.74Å; Y321-I327 HydrophobicContact CE2-CG1 4.03Å; Y321-I327 HydrophobicContact CG-CD1 3.71Å; Y321-I327 HydrophobicContact CG-CG1 3.9Å
322E94.6Very high95.2Very high93 Ų9346 Ų4644%0.43525%0.253SS..  trans-125.6-174.9-164.2-77.7-61.3138.300112.6K264 N324 D325K264-E322 VanDerWaalsContact CE-OE2 3.32Å; K264-E322 WeakPolarHBondContact CE-OE2 3.39Å; K264-E322 IonicContact NZ-OE1 3.71Å; K264-E322 PolarHBondContact NZ-OE1 2.92Å; K264-E322 IonicContact NZ-OE2 3.83Å; K264-E322 PolarHBondContact NZ-OE2 3.08Å; E322-N324 PolarHBondContact O-N 2.73Å; E322-D325 PolarHBondContact N-OD2 2.71Å; E322-D325 WeakPolarHBondContact O-CB 3.47Å; E322-D325 PolarHBondContact O-N 3.13Å; E322-D325 VanDerWaalsContact O-N 3.14Å
323E95.3Very high95.4Very high87 Ų8746 Ų4641%0.40725%0.251SS..THydrogen-bonded Turntrans-56.4133.2175.6-67.1-172.9169.600112.1K264 D325K264-E323 WeakPolarHBondContact CA-OE1 3.28Å; K264-E323 HydrophobicContact CB-CG 4.35Å; K264-E323 WeakPolarHBondContact CB-OE1 3.49Å; K264-E323 HydrophobicContact CD-CG 4.35Å; K264-E323 HydrophobicContact CG-CG 3.96Å; K264-E323 PolarHBondContact N-OE1 3.28Å; E323-D325 VanDerWaalsContact C-N 3.29Å; E323-D325 PolarHBondContact O-N 3.48Å
324N95.8Very high95.4Very high94 Ų9448.5 Ų48.550%0.50326%0.258SS..THydrogen-bonded Turntrans74.1-5.2-174.2-58.1-84.1000117.2K260 L261 E322K260-N324 VanDerWaalsContact CE-OD1 3.31Å; K260-N324 WeakPolarHBondContact CE-OD1 3.39Å; K260-N324 PolarHBondContact NZ-OD1 2.74Å; L261-N324 WeakPolarHBondContact O-CA 3.3Å; L261-N324 PolarHBondContact O-N 3.38Å; E322-N324 PolarHBondContact O-N 2.73Å
325D97.5Very high95.2Very high28 Ų2849 Ų4915%0.1527%0.27CS..  trans-65.1146.4169-76.2-24.9000111.2K260 L261 Y321 E322 E323 K344 N345K260-D325 WeakPolarHBondContact CA-O 3.48Å; L261-D325 PolarHBondContact N-O 3.15Å; Y321-D325 VanDerWaalsContact CA-OD2 3.24Å; Y321-D325 WeakPolarHBondContact CA-OD2 3.3Å; Y321-D325 WeakPolarHBondContact CB-OD2 3.33Å; E322-D325 PolarHBondContact N-OD2 2.71Å; E322-D325 WeakPolarHBondContact O-CB 3.47Å; E322-D325 PolarHBondContact O-N 3.13Å; E322-D325 VanDerWaalsContact O-N 3.14Å; E323-D325 VanDerWaalsContact C-N 3.29Å; E323-D325 PolarHBondContact O-N 3.48Å; D325-K344 VanDerWaalsContact OD2-CE 3.28Å; D325-K344 WeakPolarHBondContact OD2-CE 3.39Å; D325-K344 IonicContact OD2-NZ 2.63Å; D325-N345 WeakPolarHBondContact CA-OD1 3.43Å; D325-N345 PolarHBondContact OD1-ND2 3Å
326V97.7Very high94.9Very high5 Ų552.6 Ų52.63%0.0329%0.286CS..EExtended strand (participates in β ladder)trans-116.4126.6176.3-174.40000109.5E258 M259 K260 N345 Y387 F388E258-V326 HydrophobicContact CB-CG1 3.77Å; E258-V326 HydrophobicContact CG-CG1 4.19Å; M259-V326 WeakPolarHBondContact O-CA 2.97Å; K260-V326 HydrophobicContact CB-CG2 4Å; K260-V326 HydrophobicContact CD-CG2 4.29Å; K260-V326 HydrophobicContact CG-CG2 3.94Å; V326-N345 PolarHBondContact N-OD1 2.83Å; V326-N345 PolarHBondContact O-N 3.15Å; V326-N345 PolarHBondContact O-OD1 2.8Å; V326-Y387 HydrophobicContact CG1-CD2 4.07Å; V326-Y387 HydrophobicContact CG1-CG 4.29Å; V326-Y387 HydrophobicContact CG2-CD1 4.31Å; V326-Y387 HydrophobicContact CG2-CD2 4.35Å; V326-Y387 HydrophobicContact CG2-CG 3.97Å; V326-F388 HydrophobicContact CB-CD2 3.94Å; V326-F388 HydrophobicContact CB-CE2 3.7Å; V326-F388 HydrophobicContact CG1-CD2 4.22Å; V326-F388 HydrophobicContact CG1-CE2 4.45Å; V326-F388 HydrophobicContact CG2-CD2 4.31Å; V326-F388 HydrophobicContact CG2-CE2 3.78Å
327I97.9Very high94.8Very high0 Ų049.9 Ų49.90%027%0.27CS..EExtended strand (participates in β ladder)trans-107.1112.5175.1-55.1-53.6000108.6E258 M259 V282 Y302 Y321 F342 A343 K344E258-I327 CarbonylContact C-O 3.32Å; E258-I327 WeakPolarHBondContact CA-O 2.79Å; M259-I327 HydrophobicContact CE-CG1 4.49Å; M259-I327 PolarHBondContact N-O 2.82Å; M259-I327 PolarHBondContact O-N 3.39Å; V282-I327 HydrophobicContact CG1-CB 4.38Å; V282-I327 HydrophobicContact CG1-CG2 4.03Å; Y302-I327 HydrophobicContact CD1-CG2 3.91Å; Y302-I327 HydrophobicContact CE1-CD1 4.18Å; Y302-I327 HydrophobicContact CE1-CG2 4.01Å; Y321-I327 HydrophobicContact CD1-CD1 3.54Å; Y321-I327 HydrophobicContact CD1-CG1 3.75Å; Y321-I327 HydrophobicContact CD2-CD1 4.31Å; Y321-I327 HydrophobicContact CD2-CG1 4.03Å; Y321-I327 HydrophobicContact CE1-CD1 4.01Å; Y321-I327 HydrophobicContact CE1-CG1 3.74Å; Y321-I327 HydrophobicContact CE2-CG1 4.03Å; Y321-I327 HydrophobicContact CG-CD1 3.71Å; Y321-I327 HydrophobicContact CG-CG1 3.9Å; I327-F342 HydrophobicContact CG2-CB 4.45Å; I327-F342 HydrophobicContact CG2-CD1 4.02Å; I327-A343 WeakPolarHBondContact CA-O 3.23Å; I327-K344 HydrophobicContact CD1-CB 3.81Å; I327-K344 HydrophobicContact CD1-CG 3.87Å
328C97.4Very high94.8Very high9 Ų948.6 Ų48.66%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-80.4121.6166.4-173.30000108.5E258 L330 F342 A343E258-C328 HydrophobicContact CG-CB 4.14Å; C328-L330 HydrophobicContact CB-CD1 4.34Å; C328-L330 WeakPolarHBondContact O-CD1 2.99Å; C328-F342 WeakPolarHBondContact O-CA 3.08Å; C328-A343 HydrophobicContact CB-CB 4.25Å; C328-A343 PolarHBondContact N-O 3.46Å; C328-A343 PolarHBondContact O-N 3.37Å
329C97.9Very high95Very high0 Ų047.1 Ų47.10%025%0.245CC..EExtended strand (participates in β ladder)trans-102120.5178-59.60000108.3C256 F257 F342C256-C329 VanDerWaalsContact CA-O 3.24Å; C256-C329 WeakPolarHBondContact CA-O 3.42Å; F257-C329 HydrophobicContact CD1-CB 3.98Å; F257-C329 HydrophobicContact CD2-CB 4.46Å; F257-C329 HydrophobicContact CE1-CB 3.51Å; F257-C329 HydrophobicContact CE2-CB 4.03Å; F257-C329 HydrophobicContact CG-CB 4.44Å; F257-C329 HydrophobicContact CZ-CB 3.53Å; F257-C329 PolarHBondContact N-O 3.29Å; F257-C329 VanDerWaalsContact N-O 3.1Å; F257-C329 PolarHBondContact O-N 3.02Å; C329-F342 HydrophobicContact CB-CD1 4.23Å; C329-F342 HydrophobicContact CB-CE1 4.15Å
330L97.8Very high95.2Very high0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-117.9147.4-172.2-59.4110000110.9C256 W284 C328 S341 A343 P349 P391 Y394C256-L330 HydrophobicContact CB-CD2 4.15Å; C256-L330 HydrophobicContact CB-CG 4.13Å; W284-L330 PolarHBondContact NE1-O 2.84Å; C328-L330 HydrophobicContact CB-CD1 4.34Å; C328-L330 WeakPolarHBondContact O-CD1 2.99Å; L330-S341 WeakPolarHBondContact CB-OG 3.21Å; L330-S341 PolarHBondContact N-O 3.13Å; L330-S341 PolarHBondContact O-N 3.07Å; L330-A343 HydrophobicContact CD1-CB 4.18Å; L330-P349 HydrophobicContact CD1-CB 4.27Å; L330-P349 HydrophobicContact CD1-CG 4.48Å; L330-P391 HydrophobicContact CD2-CB 3.95Å; L330-P391 HydrophobicContact CD2-CG 3.84Å; L330-Y394 HydrophobicContact CB-CD1 4.17Å; L330-Y394 HydrophobicContact CB-CE1 3.78Å; L330-Y394 HydrophobicContact CD2-CD1 3.69Å; L330-Y394 HydrophobicContact CD2-CD2 3.7Å; L330-Y394 HydrophobicContact CD2-CE1 3.89Å; L330-Y394 HydrophobicContact CD2-CE2 3.89Å; L330-Y394 HydrophobicContact CD2-CG 3.58Å; L330-Y394 HydrophobicContact CG-CD1 4.48Å; L330-Y394 HydrophobicContact CG-CE1 4.47Å
331I97.3Very high95.3Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-141.8126.1-179.6-174.4162000110.2V250 K254 A255 W284 F333 L338 L340 L365V250-I331 HydrophobicContact CG2-CG2 3.89Å; K254-I331 WeakPolarHBondContact CA-O 3.36Å; A255-I331 HydrophobicContact CB-CG2 3.71Å; A255-I331 PolarHBondContact N-O 3.49Å; A255-I331 WeakPolarHBondContact O-CG2 3.24Å; A255-I331 PolarHBondContact O-N 2.71Å; W284-I331 HydrophobicContact CD2-CB 4.31Å; W284-I331 HydrophobicContact CD2-CD1 4Å; W284-I331 HydrophobicContact CD2-CG2 4.41Å; W284-I331 HydrophobicContact CE3-CD1 4.1Å; W284-I331 HydrophobicContact CE3-CG2 4.46Å; W284-I331 HydrophobicContact CG-CD1 4.3Å; W284-I331 HydrophobicContact CH2-CB 4.29Å; W284-I331 HydrophobicContact CH2-CG2 3.43Å; W284-I331 VanDerWaalsContact CH2-CG2 3.43Å; W284-I331 HydrophobicContact CZ2-CB 3.77Å; W284-I331 HydrophobicContact CZ2-CG2 3.34Å; W284-I331 HydrophobicContact CZ3-CG2 4.01Å; I331-F333 HydrophobicContact CD1-CD2 4.34Å; I331-F333 HydrophobicContact CD1-CE2 3.38Å; I331-F333 HydrophobicContact CD1-CZ 3.67Å; I331-F333 HydrophobicContact CG1-CD2 3.94Å; I331-F333 HydrophobicContact CG1-CE2 3.47Å; I331-F333 VanDerWaalsContact CG1-CE2 3.47Å; I331-F333 HydrophobicContact CG1-CZ 4.11Å; I331-L338 HydrophobicContact CD1-CD1 3.99Å; I331-L338 HydrophobicContact CG1-CD1 3.5Å; I331-L340 HydrophobicContact CB-CD2 3.84Å; I331-L340 HydrophobicContact CD1-CD2 3.62Å; I331-L340 HydrophobicContact CG1-CD2 3.48Å; I331-L340 VanDerWaalsContact CG1-CD2 3.48Å; I331-L365 HydrophobicContact CD1-CB 3.87Å; I331-L365 HydrophobicContact CD1-CD1 3.84Å; I331-L365 HydrophobicContact CD1-CG 4.48Å
332D96.3Very high95.5Very high26 Ų2638 Ų3814%0.13920%0.197CC..EExtended strand (participates in β ladder)trans-121.2114.2-176.4-175.3-5.2000110.9K254 E334 L338 V339 Y394K254-D332 WeakPolarHBondContact CE-OD1 3.16Å; K254-D332 WeakPolarHBondContact CE-OD2 3.45Å; K254-D332 HydrophobicContact CG-CB 4.11Å; K254-D332 WeakPolarHBondContact CG-OD1 3.41Å; K254-D332 IonicContact NZ-OD2 3.98Å; D332-E334 WeakPolarHBondContact OD1-CB 3.27Å; D332-E334 PolarHBondContact OD1-N 2.75Å; D332-L338 WeakPolarHBondContact O-CA 3.08Å; D332-L338 VanDerWaalsContact O-CD1 3.28Å; D332-L338 WeakPolarHBondContact O-CD1 3.25Å; D332-V339 HydrophobicContact CB-CB 4.26Å; D332-V339 PolarHBondContact N-O 3.32Å; D332-V339 PolarHBondContact O-N 3.4Å; D332-V339 VanDerWaalsContact O-N 3.07Å; D332-Y394 HydrophobicContact CB-CE1 4.35Å
333F94.4Very high95.5Very high16 Ų1633.8 Ų33.87%0.0718%0.177CC..EExtended strand (participates in β ladder)trans-108.531.7172.5-63.9-94.1000112.6V250 G253 I331 L338 K357 L360 L365V250-F333 HydrophobicContact CB-CE2 4.47Å; V250-F333 HydrophobicContact CG2-CE2 4.03Å; V250-F333 WeakPolarHBondContact O-CZ 3.32Å; G253-F333 WeakPolarHBondContact O-CB 3.35Å; G253-F333 PolarHBondContact O-N 3.15Å; I331-F333 HydrophobicContact CD1-CD2 4.34Å; I331-F333 HydrophobicContact CD1-CE2 3.38Å; I331-F333 HydrophobicContact CD1-CZ 3.67Å; I331-F333 HydrophobicContact CG1-CD2 3.94Å; I331-F333 HydrophobicContact CG1-CE2 3.47Å; I331-F333 VanDerWaalsContact CG1-CE2 3.47Å; I331-F333 HydrophobicContact CG1-CZ 4.11Å; F333-L338 HydrophobicContact CD1-CD1 3.7Å; F333-L338 HydrophobicContact CD2-CD1 3.99Å; F333-L338 HydrophobicContact CE1-CD1 3.65Å; F333-L338 HydrophobicContact CE1-CD2 4.23Å; F333-L338 HydrophobicContact CE1-CG 4.4Å; F333-L338 HydrophobicContact CE2-CD1 3.96Å; F333-L338 HydrophobicContact CG-CD1 3.87Å; F333-L338 HydrophobicContact CZ-CD1 3.78Å; F333-L338 HydrophobicContact CZ-CD2 4.44Å; F333-K357 VanDerWaalsContact C-NZ 3.31Å; F333-K357 VanDerWaalsContact O-CE 3.31Å; F333-K357 WeakPolarHBondContact O-CE 3.35Å; F333-K357 PolarHBondContact O-NZ 2.86Å; F333-L360 HydrophobicContact CE1-CD1 4.31Å; F333-L365 HydrophobicContact CZ-CD1 4.5Å
334E91Very high95.6Very high122 Ų12232 Ų3257%0.5717%0.169SC*.SBendtrans-89.6-37.9174.9-69-176.3178.700113.5K254 D332K254-E334 HydrophobicContact CD-CG 4.35Å; K254-E334 VanDerWaalsContact CE-OE2 3.23Å; K254-E334 WeakPolarHBondContact CE-OE2 3.13Å; K254-E334 HydrophobicContact CG-CG 4.26Å; K254-E334 IonicContact NZ-OE1 2.7Å; K254-E334 IonicContact NZ-OE2 3.91Å; K254-E334 PolarHBondContact NZ-OE2 2.86Å; D332-E334 WeakPolarHBondContact OD1-CB 3.27Å; D332-E334 PolarHBondContact OD1-N 2.75Å
335G87.7Confident95.6Very high43 Ų4330.2 Ų30.244%0.44316%0.159SC..SBendtrans-75.4-172.6-178.800000115.4K357G335-K357 WeakPolarHBondContact O-CE 3.37Å; G335-K357 PolarHBondContact O-NZ 2.97Å
336E89Confident95.3Very high177 Ų17731 Ų3183%0.82717%0.174SC*.SBendtrans-71.8-37.8168.8-66.5-179.2171.300111.2K357E336-K357 WeakPolarHBondContact O-CD 3.44Å; E336-K357 WeakPolarHBondContact O-CG 3.25Å; E336-K357 PolarHBondContact O-N 2.83Å
337E93.2Very high95Very high68 Ų6832.6 Ų32.632%0.31819%0.191SC..EExtended strand (participates in β ladder)trans-84.4143168.4-58.9-176.5142.600111R354 V355 L356E337-R354 WeakPolarHBondContact OE2-CD 3.2Å; E337-R354 IonicContact OE2-CZ 2.65Å; E337-R354 IonicContact OE2-NE 2.76Å; E337-R354 IonicContact OE2-NH1 2.69Å; E337-R354 PolarHBondContact OE2-NH1 2.98Å; E337-V355 CarbonylContact C-O 3.6Å; E337-V355 WeakPolarHBondContact CA-O 3.43Å; E337-L356 HydrophobicContact CG-CD2 4.33Å
338L94.6Very high94.8Very high0 Ų041 Ų410%023%0.23CC..EExtended strand (participates in β ladder)trans-69.8129153171.165.7000108.8I331 D332 F333 L340 R354 V355 K357 L360 L365I331-L338 HydrophobicContact CD1-CD1 3.99Å; I331-L338 HydrophobicContact CG1-CD1 3.5Å; D332-L338 WeakPolarHBondContact O-CA 3.08Å; D332-L338 VanDerWaalsContact O-CD1 3.28Å; D332-L338 WeakPolarHBondContact O-CD1 3.25Å; F333-L338 HydrophobicContact CD1-CD1 3.7Å; F333-L338 HydrophobicContact CD2-CD1 3.99Å; F333-L338 HydrophobicContact CE1-CD1 3.65Å; F333-L338 HydrophobicContact CE1-CD2 4.23Å; F333-L338 HydrophobicContact CE1-CG 4.4Å; F333-L338 HydrophobicContact CE2-CD1 3.96Å; F333-L338 HydrophobicContact CG-CD1 3.87Å; F333-L338 HydrophobicContact CZ-CD1 3.78Å; F333-L338 HydrophobicContact CZ-CD2 4.44Å; L338-L340 HydrophobicContact CD1-CD2 4.28Å; L338-L340 HydrophobicContact CD2-CD2 4.34Å; L338-L340 HydrophobicContact CD2-CG 4.47Å; L338-L340 HydrophobicContact CG-CD2 4.32Å; L338-L340 HydrophobicContact CG-CG 4.43Å; L338-R354 WeakPolarHBondContact O-CA 3.14Å; L338-V355 HydrophobicContact CB-CB 4.31Å; L338-V355 WeakPolarHBondContact CB-O 3.46Å; L338-V355 PolarHBondContact N-O 3.48Å; L338-V355 PolarHBondContact O-N 2.89Å; L338-K357 HydrophobicContact CB-CG 4.42Å; L338-L360 HydrophobicContact CD2-CD1 3.55Å; L338-L365 HydrophobicContact CD2-CD1 3.44Å; L338-L365 VanDerWaalsContact CD2-CD1 3.44Å
339V96.9Very high94.6Very high21 Ų2142.9 Ų42.913%0.12724%0.242CC..EExtended strand (participates in β ladder)trans-112.6130.3174-173.30000109.8D332 V351D332-V339 HydrophobicContact CB-CB 4.26Å; D332-V339 PolarHBondContact N-O 3.32Å; D332-V339 PolarHBondContact O-N 3.4Å; D332-V339 VanDerWaalsContact O-N 3.07Å; V339-V351 HydrophobicContact CG1-CB 4.38Å; V339-V351 HydrophobicContact CG1-CG1 3.64Å; V339-V351 HydrophobicContact CG1-CG2 3.86Å
340L97.6Very high94.5Very high0 Ų044.8 Ų44.80%026%0.258CS..EExtended strand (participates in β ladder)trans-114123.7173.8-58.6177.6000109.4W284 Y300 I331 L338 A352 F353W284-L340 HydrophobicContact CG-CD2 4.23Å; Y300-L340 HydrophobicContact CD1-CD1 3.94Å; Y300-L340 HydrophobicContact CD2-CD1 3.38Å; Y300-L340 HydrophobicContact CE2-CD1 4Å; Y300-L340 HydrophobicContact CG-CD1 3.34Å; I331-L340 HydrophobicContact CB-CD2 3.84Å; I331-L340 HydrophobicContact CD1-CD2 3.62Å; I331-L340 HydrophobicContact CG1-CD2 3.48Å; I331-L340 VanDerWaalsContact CG1-CD2 3.48Å; L338-L340 HydrophobicContact CD1-CD2 4.28Å; L338-L340 HydrophobicContact CD2-CD2 4.34Å; L338-L340 HydrophobicContact CD2-CG 4.47Å; L338-L340 HydrophobicContact CG-CD2 4.32Å; L338-L340 HydrophobicContact CG-CG 4.43Å; L340-A352 PolarHBondContact O-N 3Å; L340-F353 HydrophobicContact CB-CB 4.14Å; L340-F353 HydrophobicContact CB-CD2 4.05Å; L340-F353 HydrophobicContact CD1-CB 4.21Å; L340-F353 HydrophobicContact CD1-CD2 4.08Å; L340-F353 HydrophobicContact CD1-CG 4.5Å; L340-F353 HydrophobicContact CG-CB 4.49Å; L340-F353 PolarHBondContact N-O 2.87Å; L340-F353 PolarHBondContact O-N 2.84Å
341S97.2Very high94.5Very high4 Ų448 Ų483%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-132.8158.3-178.954.60000112.1L330 A350L330-S341 WeakPolarHBondContact CB-OG 3.21Å; L330-S341 PolarHBondContact N-O 3.13Å; L330-S341 PolarHBondContact O-N 3.07Å; S341-A350 CarbonylContact C-O 2.96Å; S341-A350 WeakPolarHBondContact CA-O 3.25Å; S341-A350 WeakPolarHBondContact CB-O 3.49Å
342F97.6Very high94.5Very high6 Ų648.2 Ų48.23%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-132.6137.3-179-60.4-89.4000109.8Y302 F317 I327 C328 C329 A350 A352 F353Y302-F342 HydrophobicContact CD1-CB 3.79Å; Y302-F342 AromaticContact CD1-CD1 3.67Å; Y302-F342 HydrophobicContact CD1-CD1 3.67Å; Y302-F342 HydrophobicContact CD1-CD2 4.25Å; Y302-F342 HydrophobicContact CD1-CE1 4.28Å; Y302-F342 AromaticContact CD1-CG 3.64Å; Y302-F342 HydrophobicContact CD1-CG 3.64Å; Y302-F342 HydrophobicContact CE1-CB 3.99Å; Y302-F342 HydrophobicContact CE1-CG 4.35Å; Y302-F342 HydrophobicContact CG-CD1 4.25Å; Y302-F342 HydrophobicContact CG-CD2 4.32Å; Y302-F342 HydrophobicContact CG-CE1 4.5Å; Y302-F342 HydrophobicContact CG-CG 4.15Å; F317-F342 HydrophobicContact CE1-CB 4.4Å; F317-F342 AromaticContact CE1-CD2 3.92Å; F317-F342 HydrophobicContact CE1-CD2 3.92Å; F317-F342 HydrophobicContact CZ-CD2 4.37Å; I327-F342 HydrophobicContact CG2-CB 4.45Å; I327-F342 HydrophobicContact CG2-CD1 4.02Å; C328-F342 WeakPolarHBondContact O-CA 3.08Å; C329-F342 HydrophobicContact CB-CD1 4.23Å; C329-F342 HydrophobicContact CB-CE1 4.15Å; F342-A350 PolarHBondContact N-O 3.21Å; F342-A350 PolarHBondContact O-N 2.91Å; F342-A352 HydrophobicContact CD2-CB 3.69Å; F342-A352 HydrophobicContact CE2-CB 3.62Å; F342-F353 HydrophobicContact CE2-CD2 4.42Å; F342-F353 HydrophobicContact CE2-CE2 4.13Å
343A96.3Very high94.5Very high3 Ų347.9 Ų47.93%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-123.312817400000109.6I327 C328 L330 G347 P349I327-A343 WeakPolarHBondContact CA-O 3.23Å; C328-A343 HydrophobicContact CB-CB 4.25Å; C328-A343 PolarHBondContact N-O 3.46Å; C328-A343 PolarHBondContact O-N 3.37Å; L330-A343 HydrophobicContact CD1-CB 4.18Å; A343-G347 VanDerWaalsContact CB-O 3.31Å; A343-G347 WeakPolarHBondContact CB-O 3.29Å; A343-P349 HydrophobicContact CB-CG 4.29Å
344K96.3Very high94.6Very high51 Ų5154.3 Ų54.322%0.22230%0.301CS..EExtended strand (participates in β ladder)trans-95.7129.7176177.1-176.9168.8-167.90109.3E319 T320 D325 I327 G346 G347E319-K344 HydrophobicContact CB-CD 4.2Å; E319-K344 WeakPolarHBondContact OE2-CD 3.44Å; E319-K344 IonicContact OE2-NZ 2.67Å; E319-K344 PolarHBondContact OE2-NZ 2.89Å; T320-K344 WeakPolarHBondContact O-CE 3.49Å; T320-K344 PolarHBondContact O-NZ 3.27Å; D325-K344 VanDerWaalsContact OD2-CE 3.28Å; D325-K344 WeakPolarHBondContact OD2-CE 3.39Å; D325-K344 IonicContact OD2-NZ 2.63Å; I327-K344 HydrophobicContact CD1-CB 3.81Å; I327-K344 HydrophobicContact CD1-CG 3.87Å; K344-G346 PolarHBondContact O-N 3.06Å; K344-G346 VanDerWaalsContact O-N 3.12Å; K344-G347 PolarHBondContact O-N 3.35Å
345N95.6Very high94.7Very high56 Ų5649.4 Ų49.430%0.29928%0.279SS..THydrogen-bonded Turntrans48.340.2175-60.4-22.9000114.5D325 V326 G347 F388D325-N345 WeakPolarHBondContact CA-OD1 3.43Å; D325-N345 PolarHBondContact OD1-ND2 3Å; V326-N345 PolarHBondContact N-OD1 2.83Å; V326-N345 PolarHBondContact O-N 3.15Å; V326-N345 PolarHBondContact O-OD1 2.8Å; N345-G347 VanDerWaalsContact C-N 3.26Å; N345-G347 PolarHBondContact O-N 3.31Å; N345-F388 HydrophobicContact CB-CE1 4.11Å; N345-F388 HydrophobicContact CB-CE2 4.21Å; N345-F388 HydrophobicContact CB-CZ 3.73Å; N345-F388 VanDerWaalsContact O-CD1 3.27Å; N345-F388 WeakPolarHBondContact O-CD1 3.44Å; N345-F388 WeakPolarHBondContact O-CE1 3.25Å
346G91.4Very high94.9Very high45 Ų4552.2 Ų52.246%0.46428%0.283SS..THydrogen-bonded Turntrans70.912.5-179.100000115.7K344K344-G346 PolarHBondContact O-N 3.06Å; K344-G346 VanDerWaalsContact O-N 3.12Å
347G92.4Very high94.9Very high38 Ų3846.8 Ų46.839%0.39226%0.257SS..  trans-71179.1170.200000113.4A343 K344 N345A343-G347 VanDerWaalsContact CB-O 3.31Å; A343-G347 WeakPolarHBondContact CB-O 3.29Å; K344-G347 PolarHBondContact O-N 3.35Å; N345-G347 VanDerWaalsContact C-N 3.26Å; N345-G347 PolarHBondContact O-N 3.31Å
348E92.1Very high94.7Very high177 Ų17750.3 Ų50.383%0.82728%0.278SS*.  trans-60.6132.2-177.7-69.5-61.7158.200112.7A350E348-A350 PolarHBondContact O-N 3.15Å; E348-A350 VanDerWaalsContact O-N 3.16Å
349P94.4Very high94.5Very high47 Ų4753.1 Ų53.131%0.30530%0.297SS..  trans-62.9112.2177-25.135.3000113.7L330 A343 P391L330-P349 HydrophobicContact CD1-CB 4.27Å; L330-P349 HydrophobicContact CD1-CG 4.48Å; A343-P349 HydrophobicContact CB-CG 4.29Å; P349-P391 HydrophobicContact CG-CB 4.28Å; P349-P391 HydrophobicContact CG-CG 4.34Å
350A96.1Very high94.1Very high40 Ų4052.3 Ų52.333%0.33129%0.292SS..EExtended strand (participates in β ladder)trans-84.9128.7173.800000110.9F317 S341 F342 E348 A352F317-A350 HydrophobicContact CE2-CB 4.05Å; F317-A350 HydrophobicContact CZ-CB 3.68Å; S341-A350 CarbonylContact C-O 2.96Å; S341-A350 WeakPolarHBondContact CA-O 3.25Å; S341-A350 WeakPolarHBondContact CB-O 3.49Å; F342-A350 PolarHBondContact N-O 3.21Å; F342-A350 PolarHBondContact O-N 2.91Å; E348-A350 PolarHBondContact O-N 3.15Å; E348-A350 VanDerWaalsContact O-N 3.16Å; A350-A352 PolarHBondContact O-N 3.12Å
351V97.1Very high93.7Very high67 Ų6759 Ų5941%0.40633%0.328SS..EExtended strand (participates in β ladder)trans-77.6117.2177.6175.80000110.4F317 V339 R354F317-V351 WeakPolarHBondContact CE2-O 3.35Å; V339-V351 HydrophobicContact CG1-CB 4.38Å; V339-V351 HydrophobicContact CG1-CG1 3.64Å; V339-V351 HydrophobicContact CG1-CG2 3.86Å; V351-R354 HydrophobicContact CG1-CG 4.23Å
352A96.8Very high93.2Very high6 Ų661.4 Ų61.45%0.0535%0.353CS..EExtended strand (participates in β ladder)trans-93.8-42179.900000113K308 F317 L340 F342 A350K308-A352 HydrophobicContact CD-CB 4.19Å; K308-A352 WeakPolarHBondContact CD-O 3.48Å; K308-A352 PolarHBondContact NZ-O 3.33Å; F317-A352 HydrophobicContact CD1-CB 4.19Å; F317-A352 HydrophobicContact CD2-CB 4.25Å; F317-A352 HydrophobicContact CE1-CB 3.76Å; F317-A352 HydrophobicContact CE2-CB 3.82Å; F317-A352 HydrophobicContact CG-CB 4.43Å; F317-A352 HydrophobicContact CZ-CB 3.55Å; L340-A352 PolarHBondContact O-N 3Å; F342-A352 HydrophobicContact CD2-CB 3.69Å; F342-A352 HydrophobicContact CE2-CB 3.62Å; A350-A352 PolarHBondContact O-N 3.12Å
353F96.9Very high93Very high18 Ų1865.2 Ų65.28%0.07937%0.371CS..EExtended strand (participates in β ladder)trans-138.7146-173.3-48.6-81.4000111.7Y300 K308 T310 L340 F342Y300-F353 HydrophobicContact CD1-CB 4.14Å; Y300-F353 AromaticContact CD1-CD1 3.84Å; Y300-F353 HydrophobicContact CD1-CD1 3.84Å; Y300-F353 AromaticContact CD1-CD2 3.92Å; Y300-F353 HydrophobicContact CD1-CD2 3.92Å; Y300-F353 HydrophobicContact CD1-CE1 4.13Å; Y300-F353 HydrophobicContact CD1-CE2 4.21Å; Y300-F353 AromaticContact CD1-CG 3.7Å; Y300-F353 HydrophobicContact CD1-CG 3.7Å; Y300-F353 HydrophobicContact CD1-CZ 4.28Å; Y300-F353 HydrophobicContact CE1-CB 4.45Å; Y300-F353 HydrophobicContact CE1-CD1 4.44Å; Y300-F353 HydrophobicContact CE1-CG 4.4Å; Y300-F353 HydrophobicContact CG-CD2 4.22Å; Y300-F353 HydrophobicContact CG-CE2 4.41Å; Y300-F353 HydrophobicContact CG-CG 4.43Å; K308-F353 HydrophobicContact CB-CE1 4.16Å; K308-F353 HydrophobicContact CB-CE2 4.26Å; K308-F353 HydrophobicContact CB-CZ 3.64Å; K308-F353 HydrophobicContact CD-CD1 4.43Å; K308-F353 HydrophobicContact CD-CE1 3.98Å; K308-F353 HydrophobicContact CD-CZ 4.23Å; K308-F353 HydrophobicContact CG-CE1 4.14Å; K308-F353 HydrophobicContact CG-CZ 4.14Å; T310-F353 HydrophobicContact CG2-CD1 4.05Å; T310-F353 HydrophobicContact CG2-CE1 3.58Å; L340-F353 HydrophobicContact CB-CB 4.14Å; L340-F353 HydrophobicContact CB-CD2 4.05Å; L340-F353 HydrophobicContact CD1-CB 4.21Å; L340-F353 HydrophobicContact CD1-CD2 4.08Å; L340-F353 HydrophobicContact CD1-CG 4.5Å; L340-F353 HydrophobicContact CG-CB 4.49Å; L340-F353 PolarHBondContact N-O 2.87Å; L340-F353 PolarHBondContact O-N 2.84Å; F342-F353 HydrophobicContact CE2-CD2 4.42Å; F342-F353 HydrophobicContact CE2-CE2 4.13Å
354R96.1Very high93Very high152 Ų15265.5 Ų65.557%0.57437%0.373SS*.EExtended strand (participates in β ladder)trans-128.6133.7171.2-70.8174.1173.6-80.3-4.9107.8E337 L338 V351E337-R354 WeakPolarHBondContact OE2-CD 3.2Å; E337-R354 IonicContact OE2-CZ 2.65Å; E337-R354 IonicContact OE2-NE 2.76Å; E337-R354 IonicContact OE2-NH1 2.69Å; E337-R354 PolarHBondContact OE2-NH1 2.98Å; L338-R354 WeakPolarHBondContact O-CA 3.14Å; V351-R354 HydrophobicContact CG1-CG 4.23Å
355V93.6Very high93Very high18 Ų1863 Ų6311%0.10936%0.362CS..EExtended strand (participates in β ladder)trans-145.2130.3-172.2-169.60000108.8F298 Y300 E337 L338 K357F298-V355 HydrophobicContact CE1-CG1 4.42Å; Y300-V355 HydrophobicContact CE1-CG2 3.87Å; Y300-V355 VanDerWaalsContact OH-CG2 3.32Å; Y300-V355 WeakPolarHBondContact OH-CG2 3.37Å; E337-V355 CarbonylContact C-O 3.6Å; E337-V355 WeakPolarHBondContact CA-O 3.43Å; L338-V355 HydrophobicContact CB-CB 4.31Å; L338-V355 WeakPolarHBondContact CB-O 3.46Å; L338-V355 PolarHBondContact N-O 3.48Å; L338-V355 PolarHBondContact O-N 2.89Å; V355-K357 PolarHBondContact O-N 2.83Å
356L92.5Very high93.1Very high103 Ų10360.6 Ų60.654%0.53935%0.349SS..EExtended strand (participates in β ladder)trans-63.7127.9173-67.2171.1000109.9E337 D358 C359E337-L356 HydrophobicContact CG-CD2 4.33Å; L356-D358 PolarHBondContact O-N 3.08Å; L356-C359 WeakPolarHBondContact O-CB 3.41Å; L356-C359 PolarHBondContact O-N 2.94Å; L356-C359 VanDerWaalsContact O-N 3.14Å
357K88.9Confident93.4Very high62 Ų6258.7 Ų58.727%0.2733%0.328SS..G310 helixtrans-57.9-34.6-178.4-75.4172.6168.2-1800113.1F333 G335 E336 L338 V355 C359 L360F333-K357 VanDerWaalsContact C-NZ 3.31Å; F333-K357 VanDerWaalsContact O-CE 3.31Å; F333-K357 WeakPolarHBondContact O-CE 3.35Å; F333-K357 PolarHBondContact O-NZ 2.86Å; G335-K357 WeakPolarHBondContact O-CE 3.37Å; G335-K357 PolarHBondContact O-NZ 2.97Å; E336-K357 WeakPolarHBondContact O-CD 3.44Å; E336-K357 WeakPolarHBondContact O-CG 3.25Å; E336-K357 PolarHBondContact O-N 2.83Å; L338-K357 HydrophobicContact CB-CG 4.42Å; V355-K357 PolarHBondContact O-N 2.83Å; K357-C359 PolarHBondContact O-N 2.85Å; K357-L360 WeakPolarHBondContact O-CB 3.33Å; K357-L360 PolarHBondContact O-N 2.95Å
358D89.4Confident93.7Very high142 Ų14257 Ų5776%0.75931%0.31SS*.G310 helixtrans-60.3-32.8-179.4-66.9-14.2000112.1L356 L360 N361L356-D358 PolarHBondContact O-N 3.08Å; D358-L360 PolarHBondContact O-N 2.87Å; D358-N361 PolarHBondContact O-N 2.86Å
359C90.1Very high93.9Very high60 Ų6048.6 Ų48.641%0.40527%0.271SS..G310 helixtrans-61.7-32.1176-60.50000112.5F298 L356 K357 N361F298-C359 HydrophobicContact CE1-CB 3.8Å; F298-C359 HydrophobicContact CZ-CB 3.97Å; F298-C359 WeakPolarHBondContact CZ-O 3.49Å; L356-C359 WeakPolarHBondContact O-CB 3.41Å; L356-C359 PolarHBondContact O-N 2.94Å; L356-C359 VanDerWaalsContact O-N 3.14Å; K357-C359 PolarHBondContact O-N 2.85Å; C359-N361 VanDerWaalsContact C-N 3.28Å; C359-N361 PolarHBondContact O-N 3.08Å; C359-N361 PolarHBondContact O-ND2 3.03Å
360L87.7Confident94Very high3 Ų346.4 Ų46.42%0.01626%0.257CS..G310 helixtrans-77.2-10.2176.7-71.5166.9000113.2L286 F298 F333 L338 K357 D358 G362 Q363 L365L286-L360 HydrophobicContact CD2-CD2 4.12Å; F298-L360 HydrophobicContact CB-CD2 3.94Å; F298-L360 HydrophobicContact CD1-CD2 3.39Å; F298-L360 HydrophobicContact CD1-CG 4.09Å; F298-L360 HydrophobicContact CE1-CD2 4.09Å; F298-L360 HydrophobicContact CE1-CG 4.37Å; F298-L360 HydrophobicContact CG-CD2 3.74Å; F333-L360 HydrophobicContact CE1-CD1 4.31Å; L338-L360 HydrophobicContact CD2-CD1 3.55Å; K357-L360 WeakPolarHBondContact O-CB 3.33Å; K357-L360 PolarHBondContact O-N 2.95Å; D358-L360 PolarHBondContact O-N 2.87Å; L360-G362 PolarHBondContact O-N 3.21Å; L360-Q363 WeakPolarHBondContact O-CB 3.08Å; L360-Q363 WeakPolarHBondContact O-CG 3.1Å; L360-Q363 PolarHBondContact O-N 2.78Å; L360-L365 HydrophobicContact CD1-CD1 4.23Å; L360-L365 HydrophobicContact CD2-CD2 4.36Å
361N88.6Confident93.9Very high141 Ų14144.5 Ų44.575%0.75424%0.241SC*.THydrogen-bonded Turntrans50.134.5179.4-67.1-87.3000113.8D358 C359 Q363D358-N361 PolarHBondContact O-N 2.86Å; C359-N361 VanDerWaalsContact C-N 3.28Å; C359-N361 PolarHBondContact O-N 3.08Å; C359-N361 PolarHBondContact O-ND2 3.03Å; N361-Q363 VanDerWaalsContact C-N 3.28Å; N361-Q363 PolarHBondContact O-N 3.45Å
362G87.7Confident93.6Very high54 Ų5442.5 Ų42.556%0.55723%0.226SC*.THydrogen-bonded Turntrans756-177.300000115.9N251 L360N251-G362 PolarHBondContact ND2-O 2.93Å; N251-G362 VanDerWaalsContact ND2-O 3.17Å; L360-G362 PolarHBondContact O-N 3.21Å
363Q93.1Very high93.4Very high87 Ų8742.2 Ų42.241%0.40722%0.224SC..PPolyproline II helixtrans-66145.8175.4-64.7-179-46.300111.9L286 L360 N361L286-Q363 HydrophobicContact CD2-CB 3.66Å; L286-Q363 HydrophobicContact CD2-CG 4.47Å; L360-Q363 WeakPolarHBondContact O-CB 3.08Å; L360-Q363 WeakPolarHBondContact O-CG 3.1Å; L360-Q363 PolarHBondContact O-N 2.78Å; N361-Q363 VanDerWaalsContact C-N 3.28Å; N361-Q363 PolarHBondContact O-N 3.45Å
364A95.5Very high93.3Very high8 Ų841.4 Ų41.47%0.06622%0.22CC..PPolyproline II helixtrans-87.5145177.100000112.8V250 N251 F366 V406V250-A364 VanDerWaalsContact O-CA 3.28Å; V250-A364 WeakPolarHBondContact O-CA 3.34Å; V250-A364 WeakPolarHBondContact O-CB 3.47Å; N251-A364 HydrophobicContact CB-CB 4.05Å; A364-F366 HydrophobicContact CB-CE2 3.9Å; A364-F366 HydrophobicContact CB-CZ 4.45Å; A364-F366 WeakPolarHBondContact O-CD2 3.31Å; A364-F366 WeakPolarHBondContact O-CE2 3.08Å; A364-V406 HydrophobicContact CB-CB 3.53Å; A364-V406 HydrophobicContact CB-CG1 3.89Å; A364-V406 HydrophobicContact CB-CG2 3.66Å
365L97.1Very high93.3Very high0 Ų034.8 Ų34.80%020%0.198CC..EExtended strand (participates in β ladder)trans-100138.3171.7-69.6174.4000110.4G249 V250 W284 L286 Y300 I331 F333 L338 L360G249-L365 CarbonylContact C-O 3.48Å; G249-L365 WeakPolarHBondContact CA-O 3.35Å; V250-L365 PolarHBondContact N-O 3.28Å; V250-L365 PolarHBondContact O-N 3.49Å; W284-L365 HydrophobicContact CB-CB 4.29Å; W284-L365 HydrophobicContact CE3-CB 4.41Å; L286-L365 HydrophobicContact CD2-CD2 4.01Å; L286-L365 HydrophobicContact CG-CD2 4.28Å; Y300-L365 HydrophobicContact CE2-CD1 4.3Å; I331-L365 HydrophobicContact CD1-CB 3.87Å; I331-L365 HydrophobicContact CD1-CD1 3.84Å; I331-L365 HydrophobicContact CD1-CG 4.48Å; F333-L365 HydrophobicContact CZ-CD1 4.5Å; L338-L365 HydrophobicContact CD2-CD1 3.44Å; L338-L365 VanDerWaalsContact CD2-CD1 3.44Å; L360-L365 HydrophobicContact CD1-CD1 4.23Å; L360-L365 HydrophobicContact CD2-CD2 4.36Å
366F97.7Very high93.5Very high5 Ų533.9 Ų33.92%0.02219%0.193CC..EExtended strand (participates in β ladder)trans-114.6143.4-173.6-69.2-104.5000109.5Y248 G249 W284 S285 A364 H368 V406Y248-F366 VanDerWaalsContact C-CE1 3.47Å; G249-F366 VanDerWaalsContact N-CD1 3.29Å; W284-F366 WeakPolarHBondContact CA-O 3.3Å; S285-F366 PolarHBondContact N-O 3.44Å; S285-F366 PolarHBondContact O-N 3.14Å; A364-F366 HydrophobicContact CB-CE2 3.9Å; A364-F366 HydrophobicContact CB-CZ 4.45Å; A364-F366 WeakPolarHBondContact O-CD2 3.31Å; A364-F366 WeakPolarHBondContact O-CE2 3.08Å; F366-H368 PolarHBondContact O-N 3.46Å; F366-V406 WeakPolarHBondContact CE1-O 3.33Å; F366-V406 HydrophobicContact CZ-CB 4.46Å; F366-V406 HydrophobicContact CZ-CG1 4.21Å; F366-V406 WeakPolarHBondContact CZ-O 3.24Å
367P97.8Very high93.7Very high4 Ų432.4 Ų32.43%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-51.4132.5166.7-26.736.4000110K245 G246 Y248 F257 G283 W284 F380 L397K245-P367 CarbonylContact C-O 3.49Å; K245-P367 WeakPolarHBondContact CA-O 3.49Å; G246-P367 PolarHBondContact N-O 3.37Å; Y248-P367 VanDerWaalsContact O-CD 3.24Å; Y248-P367 WeakPolarHBondContact O-CD 3.08Å; F257-P367 HydrophobicContact CD1-CB 3.88Å; F257-P367 HydrophobicContact CD1-CG 3.75Å; F257-P367 HydrophobicContact CD2-CB 4.47Å; F257-P367 HydrophobicContact CE1-CB 3.54Å; F257-P367 HydrophobicContact CE1-CG 3.83Å; F257-P367 HydrophobicContact CE2-CB 4.19Å; F257-P367 HydrophobicContact CG-CB 4.33Å; F257-P367 HydrophobicContact CG-CG 4.34Å; F257-P367 HydrophobicContact CZ-CB 3.72Å; F257-P367 HydrophobicContact CZ-CG 4.48Å; G283-P367 WeakPolarHBondContact O-CA 3.46Å; W284-P367 HydrophobicContact CE3-CG 4.43Å; W284-P367 HydrophobicContact CH2-CG 4.38Å; W284-P367 HydrophobicContact CZ3-CG 3.9Å; P367-F380 HydrophobicContact CB-CE1 3.84Å; P367-F380 HydrophobicContact CG-CD1 4.39Å; P367-F380 HydrophobicContact CG-CE1 3.94Å; P367-L397 HydrophobicContact CG-CD1 3.27Å
368H97.9Very high94.1Very high2 Ų229.5 Ų29.51%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-140.3134.8179.2-170.4-179.7000108.6G244 K245 G283 S285 T290 L291 L292 L293 F366 I370G244-H368 PolarHBondContact O-CD2 3.42Å; K245-H368 HydrophobicContact CG-CB 4.18Å; G283-H368 PolarHBondContact N-O 3.1Å; G283-H368 PolarHBondContact O-N 2.78Å; S285-H368 WeakPolarHBondContact CB-ND1 3.48Å; S285-H368 PolarHBondContact OG-ND1 3.2Å; T290-H368 VanDerWaalsContact C-CE1 3.42Å; T290-H368 PolarHBondContact O-CE1 3.13Å; L291-H368 WeakPolarHBondContact CA-CE1 3.46Å; L291-H368 WeakPolarHBondContact CA-NE2 3.44Å; L291-H368 PolarHBondContact O-CE1 2.86Å; L291-H368 PolarHBondContact O-NE2 3.25Å; L292-H368 PolarHBondContact N-CE1 3.28Å; L292-H368 VanDerWaalsContact N-CE1 3.31Å; L293-H368 HydrophobicContact CD1-CB 4Å; L293-H368 WeakPolarHBondContact CD2-O 3.44Å; L293-H368 PolarHBondContact N-CE1 3.09Å; F366-H368 PolarHBondContact O-N 3.46Å; H368-I370 WeakPolarHBondContact NE2-CG2 3.12Å
369V97.3Very high94.5Very high1 Ų122.8 Ų22.81%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-124.4146.5170.668.20000110.3F220 G243 G244 M259 V280 Q281 V376 F378F220-V369 HydrophobicContact CE1-CG1 4.17Å; F220-V369 HydrophobicContact CE2-CG1 4.44Å; F220-V369 HydrophobicContact CZ-CG1 3.57Å; G243-V369 CarbonylContact C-O 3.28Å; G243-V369 WeakPolarHBondContact CA-O 3.33Å; G244-V369 PolarHBondContact N-O 2.77Å; G244-V369 PolarHBondContact O-N 2.3Å; M259-V369 HydrophobicContact SD-CG2 3.89Å; V280-V369 HydrophobicContact CG1-CG2 4.02Å; Q281-V369 CarbonylContact O-C 3.54Å; Q281-V369 WeakPolarHBondContact O-CA 3.29Å; Q281-V369 WeakPolarHBondContact O-CG2 3.42Å; V369-V376 HydrophobicContact CG2-CG2 4.44Å; V369-F378 HydrophobicContact CB-CE1 4.27Å; V369-F378 HydrophobicContact CB-CZ 3.67Å; V369-F378 HydrophobicContact CG1-CE1 4.5Å; V369-F378 HydrophobicContact CG1-CE2 4.16Å; V369-F378 HydrophobicContact CG1-CZ 3.58Å; V369-F378 HydrophobicContact CG2-CZ 3.96Å
370I95.6Very high94.8Very high1 Ų120 Ų201%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-124.5138157.659.6174.4000109.6W241 V280 Q281 L291 L293 H368 I460W241-I370 HydrophobicContact CD2-CD1 4.44Å; W241-I370 HydrophobicContact CE3-CB 4.09Å; W241-I370 HydrophobicContact CE3-CD1 3.67Å; W241-I370 HydrophobicContact CE3-CG1 3.84Å; W241-I370 HydrophobicContact CH2-CD1 4.46Å; W241-I370 HydrophobicContact CZ3-CB 4.48Å; W241-I370 HydrophobicContact CZ3-CD1 3.7Å; W241-I370 HydrophobicContact CZ3-CG1 3.79Å; V280-I370 WeakPolarHBondContact CA-O 3.49Å; Q281-I370 HydrophobicContact CB-CD1 4.16Å; Q281-I370 HydrophobicContact CB-CG1 3.71Å; Q281-I370 HydrophobicContact CG-CD1 4.04Å; Q281-I370 HydrophobicContact CG-CG1 3.97Å; Q281-I370 PolarHBondContact N-O 3.32Å; Q281-I370 PolarHBondContact O-N 3.13Å; L291-I370 WeakPolarHBondContact O-CG2 3.31Å; L293-I370 HydrophobicContact CB-CD1 4.13Å; L293-I370 HydrophobicContact CB-CG1 4.05Å; L293-I370 HydrophobicContact CB-CG2 3.93Å; H368-I370 WeakPolarHBondContact NE2-CG2 3.12Å; I370-I460 HydrophobicContact CD1-CD1 3.69Å
371C93.9Very high95.1Very high0 Ų020.3 Ų20.30%012%0.12CC..EExtended strand (participates in β ladder)trans-125148.5177.3-56.30000110.2F220 S231 S242 V280 C374F220-C371 HydrophobicContact CE2-CB 4.4Å; S231-C371 VanDerWaalsContact OG-C 3.32Å; S231-C371 WeakPolarHBondContact OG-CB 3.5Å; S231-C371 PolarHBondContact OG-O 2.98Å; S231-C371 VanDerWaalsContact OG-O 3.13Å; S242-C371 PolarHBondContact N-O 3.21Å; S242-C371 PolarHBondContact O-N 2.84Å; S242-C371 PolarHBondContact OG-O 3.18Å; S242-C371 VanDerWaalsContact OG-O 3.1Å; V280-C371 HydrophobicContact CG2-CB 4.31Å; C371-C374 HydrophobicContact CB-CB 4.42Å
372R91.5Very high95.3Very high26 Ų2616.4 Ų16.410%0.09810%0.097CC..EExtended strand (participates in β ladder)trans-130111.7167.5-168.4-169.7-170.7-174.88.6108.3W241 E276 I277 H278 D279 C374W241-R372 HydrophobicContact CD2-CB 3.89Å; W241-R372 HydrophobicContact CD2-CG 4.46Å; W241-R372 HydrophobicContact CE3-CB 3.91Å; W241-R372 HydrophobicContact CG-CB 4.41Å; W241-R372 HydrophobicContact CZ3-CB 4.31Å; E276-R372 PolarHBondContact O-NH1 3.26Å; E276-R372 VanDerWaalsContact O-NH1 3.1Å; I277-R372 WeakPolarHBondContact O-CG 3.47Å; H278-R372 WeakPolarHBondContact CA-O 3.13Å; D279-R372 HydrophobicContact CB-CB 4.38Å; D279-R372 PolarHBondContact N-O 2.78Å; D279-R372 PolarHBondContact O-N 2.92Å; R372-C374 PolarHBondContact O-N 3.05Å; R372-C374 PolarHBondContact O-SG 3.25Å; R372-C374 VanDerWaalsContact O-SG 3.33Å
373N92.1Very high95.6Very high0 Ų016.8 Ų16.80%09%0.085CC..SBendtrans52.938-178-53.5-50.7000114.1S231 I233 A238 I265 V267 I277 H278S231-N373 PolarHBondContact OG-N 2.78Å; I233-N373 HydrophobicContact CG2-CB 4.3Å; I233-N373 WeakPolarHBondContact CG2-OD1 3.33Å; A238-N373 WeakPolarHBondContact CA-OD1 3.08Å; A238-N373 WeakPolarHBondContact CB-OD1 3.33Å; A238-N373 PolarHBondContact O-ND2 3.43Å; A238-N373 PolarHBondContact O-OD1 3.27Å; I265-N373 PolarHBondContact N-O 2.66Å; V267-N373 HydrophobicContact CG2-CB 3.97Å; I277-N373 PolarHBondContact O-ND2 2.76Å; H278-N373 PolarHBondContact ND1-O 3.43Å
374C94.9Very high95.3Very high1 Ų122 Ų221%0.00711%0.109CC..EExtended strand (participates in β ladder)trans-132.3159.9178.2-63.20000110.9S230 S231 L261 E263 V280 C371 R372S230-C374 WeakPolarHBondContact CA-O 3.48Å; S231-C374 PolarHBondContact N-O 3.3Å; S231-C374 VanDerWaalsContact N-O 3.09Å; L261-C374 HydrophobicContact CD1-CB 4Å; E263-C374 CarbonylContact O-C 3.58Å; E263-C374 VanDerWaalsContact O-CA 3.25Å; E263-C374 WeakPolarHBondContact O-CA 3.35Å; V280-C374 HydrophobicContact CG2-CB 3.4Å; V280-C374 VanDerWaalsContact CG2-CB 3.4Å; C371-C374 HydrophobicContact CB-CB 4.42Å; R372-C374 PolarHBondContact O-N 3.05Å; R372-C374 PolarHBondContact O-SG 3.25Å; R372-C374 VanDerWaalsContact O-SG 3.33Å
375A96.4Very high95.1Very high12 Ų1226.6 Ų26.610%0.09914%0.137CC..EExtended strand (participates in β ladder)trans-115144.916700000110.2A229 L261 T262 E263 I265A229-A375 WeakPolarHBondContact O-CA 3.2Å; L261-A375 WeakPolarHBondContact CD1-O 3.48Å; T262-A375 PolarHBondContact N-O 3.46Å; T262-A375 VanDerWaalsContact OG1-C 3.24Å; T262-A375 VanDerWaalsContact OG1-CB 3.29Å; T262-A375 WeakPolarHBondContact OG1-CB 3.26Å; T262-A375 PolarHBondContact OG1-O 3.27Å; T262-A375 VanDerWaalsContact OG1-O 3.13Å; E263-A375 HydrophobicContact CB-CB 4.15Å; E263-A375 PolarHBondContact N-O 3.17Å; E263-A375 PolarHBondContact O-N 3.26Å; I265-A375 HydrophobicContact CD1-CB 4.22Å; I265-A375 HydrophobicContact CG1-CB 4.46Å
376V97.4Very high94.9Very high0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-139150.8-175.5-710000110.9S228 A229 M259 K260 L261 V280 V369 F378S228-V376 CarbonylContact C-O 3.58Å; S228-V376 VanDerWaalsContact CA-O 3.27Å; S228-V376 WeakPolarHBondContact CA-O 3.44Å; S228-V376 WeakPolarHBondContact CB-O 3.27Å; A229-V376 PolarHBondContact N-O 2.84Å; A229-V376 WeakPolarHBondContact O-CG2 3.41Å; A229-V376 PolarHBondContact O-N 2.94Å; M259-V376 HydrophobicContact CG-CB 4.1Å; M259-V376 HydrophobicContact CG-CG1 4.2Å; M259-V376 HydrophobicContact SD-CB 4.22Å; M259-V376 HydrophobicContact SD-CG1 3.75Å; K260-V376 VanDerWaalsContact O-CA 3.31Å; K260-V376 WeakPolarHBondContact O-CA 3.43Å; L261-V376 HydrophobicContact CD1-CG1 4.39Å; V280-V376 HydrophobicContact CG1-CG1 3.97Å; V280-V376 HydrophobicContact CG2-CG1 4.17Å; V369-V376 HydrophobicContact CG2-CG2 4.44Å; V376-F378 HydrophobicContact CB-CE2 4.16Å; V376-F378 HydrophobicContact CB-CZ 4.34Å; V376-F378 HydrophobicContact CG2-CE2 3.59Å; V376-F378 HydrophobicContact CG2-CZ 3.92Å
377E97.6Very high94.7Very high71 Ų7131.2 Ų31.233%0.33216%0.16SC..EExtended strand (participates in β ladder)trans-127.3145.8175.8-176.3175.6-152.100109.3Y227 M259 K260 T262 Y387Y227-E377 CarbonylContact O-C 3.53Å; Y227-E377 WeakPolarHBondContact O-CA 3.16Å; M259-E377 CarbonylContact C-O 3.04Å; M259-E377 WeakPolarHBondContact CA-O 3.33Å; K260-E377 HydrophobicContact CB-CB 4.43Å; K260-E377 PolarHBondContact N-O 2.88Å; K260-E377 PolarHBondContact O-N 3.19Å; T262-E377 HydrophobicContact CG2-CB 3.65Å; E377-Y387 WeakPolarHBondContact CG-OH 3.36Å; E377-Y387 PolarHBondContact OE2-OH 2.7Å
378F97.7Very high94.5Very high2 Ų234 Ų341%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-123.7134.3-172.7-67.7-85.7000111.6L211 Y227 F257 E258 M259 V282 V369 V376 F380 Q382L211-F378 HydrophobicContact CD1-CD2 3.79Å; L211-F378 HydrophobicContact CD1-CE2 3.88Å; L211-F378 HydrophobicContact CD2-CD2 3.95Å; L211-F378 HydrophobicContact CD2-CE2 3.9Å; L211-F378 HydrophobicContact CD2-CG 4.47Å; L211-F378 HydrophobicContact CD2-CZ 4.39Å; L211-F378 HydrophobicContact CG-CD2 4.04Å; L211-F378 HydrophobicContact CG-CE2 4.32Å; Y227-F378 WeakPolarHBondContact O-CD2 3.37Å; Y227-F378 PolarHBondContact O-N 2.75Å; F257-F378 HydrophobicContact CD2-CD1 4.12Å; F257-F378 HydrophobicContact CE2-CD1 4.14Å; F257-F378 HydrophobicContact CE2-CE1 4.14Å; E258-F378 WeakPolarHBondContact O-CA 3.46Å; M259-F378 HydrophobicContact CB-CD1 3.96Å; M259-F378 HydrophobicContact CB-CE1 3.69Å; M259-F378 HydrophobicContact CB-CZ 4.43Å; M259-F378 HydrophobicContact CG-CD1 4.13Å; M259-F378 HydrophobicContact CG-CE1 3.57Å; M259-F378 HydrophobicContact CG-CZ 3.79Å; M259-F378 HydrophobicContact SD-CE1 4.26Å; M259-F378 HydrophobicContact SD-CZ 4.22Å; V282-F378 HydrophobicContact CG2-CE1 4.45Å; V369-F378 HydrophobicContact CB-CE1 4.27Å; V369-F378 HydrophobicContact CB-CZ 3.67Å; V369-F378 HydrophobicContact CG1-CE1 4.5Å; V369-F378 HydrophobicContact CG1-CE2 4.16Å; V369-F378 HydrophobicContact CG1-CZ 3.58Å; V369-F378 HydrophobicContact CG2-CZ 3.96Å; V376-F378 HydrophobicContact CB-CE2 4.16Å; V376-F378 HydrophobicContact CB-CZ 4.34Å; V376-F378 HydrophobicContact CG2-CE2 3.59Å; V376-F378 HydrophobicContact CG2-CZ 3.92Å; F378-F380 HydrophobicContact CB-CD2 4.15Å; F378-F380 HydrophobicContact CB-CE1 4.4Å; F378-F380 HydrophobicContact CB-CE2 3.53Å; F378-F380 HydrophobicContact CB-CZ 3.67Å; F378-F380 HydrophobicContact CD1-CE1 4.32Å; F378-F380 AromaticContact CD1-CZ 3.93Å; F378-F380 HydrophobicContact CD1-CZ 3.93Å; F378-F380 HydrophobicContact CG-CE2 4.12Å; F378-F380 AromaticContact CG-CZ 3.83Å; F378-F380 HydrophobicContact CG-CZ 3.83Å; F378-Q382 PolarHBondContact O-NE2 3.11Å
379N97.1Very high94.1Very high1 Ų139.4 Ų39.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-111.2104.2163.7179.430000109.3F257 E258 G381 Q382 M383 P386 Y387F257-N379 WeakPolarHBondContact CA-O 3.47Å; E258-N379 HydrophobicContact CB-CB 4.18Å; E258-N379 PolarHBondContact N-O 3.26Å; E258-N379 PolarHBondContact O-N 2.82Å; E258-N379 PolarHBondContact OE2-ND2 3.18Å; N379-G381 WeakPolarHBondContact OD1-CA 3.38Å; N379-G381 PolarHBondContact OD1-N 2.85Å; N379-Q382 PolarHBondContact OD1-N 2.72Å; N379-Q382 PolarHBondContact OD1-OE1 3.33Å; N379-M383 HydrophobicContact CB-CG 4.37Å; N379-M383 HydrophobicContact CB-SD 3.69Å; N379-M383 PolarHBondContact OD1-N 3.33Å; N379-P386 WeakPolarHBondContact ND2-CA 3.5Å; N379-Y387 HydrophobicContact CB-CD2 4.21Å; N379-Y387 HydrophobicContact CB-CE2 4.01Å
380F96.6Very high93.7Very high0 Ų042 Ų420%022%0.223CC..SBendtrans-86.44.4170.3-58.7-68.6000112V209 L211 Y227 F257 P367 F378 F396 L397 Q398V209-F380 HydrophobicContact CB-CB 4.06Å; V209-F380 HydrophobicContact CB-CG 4.39Å; V209-F380 HydrophobicContact CG1-CB 3.9Å; V209-F380 HydrophobicContact CG1-CD1 3.93Å; V209-F380 HydrophobicContact CG1-CD2 4.37Å; V209-F380 HydrophobicContact CG1-CG 3.8Å; V209-F380 VanDerWaalsContact O-CD2 3.24Å; V209-F380 WeakPolarHBondContact O-CD2 3.42Å; L211-F380 HydrophobicContact CD2-CZ 4.23Å; Y227-F380 AromaticContact CD1-CD2 3.9Å; Y227-F380 HydrophobicContact CD1-CD2 3.9Å; Y227-F380 HydrophobicContact CD1-CE2 4.28Å; Y227-F380 HydrophobicContact CE1-CD2 4.05Å; F257-F380 HydrophobicContact CB-CD1 3.66Å; F257-F380 HydrophobicContact CB-CE1 4.14Å; F257-F380 HydrophobicContact CD2-CD1 4.44Å; F257-F380 HydrophobicContact CD2-CE1 4.07Å; F257-F380 HydrophobicContact CG-CD1 4.14Å; F257-F380 HydrophobicContact CG-CE1 4.11Å; P367-F380 HydrophobicContact CB-CE1 3.84Å; P367-F380 HydrophobicContact CG-CD1 4.39Å; P367-F380 HydrophobicContact CG-CE1 3.94Å; F378-F380 HydrophobicContact CB-CD2 4.15Å; F378-F380 HydrophobicContact CB-CE1 4.4Å; F378-F380 HydrophobicContact CB-CE2 3.53Å; F378-F380 HydrophobicContact CB-CZ 3.67Å; F378-F380 HydrophobicContact CD1-CE1 4.32Å; F378-F380 AromaticContact CD1-CZ 3.93Å; F378-F380 HydrophobicContact CD1-CZ 3.93Å; F378-F380 HydrophobicContact CG-CE2 4.12Å; F378-F380 AromaticContact CG-CZ 3.83Å; F378-F380 HydrophobicContact CG-CZ 3.83Å; F380-F396 WeakPolarHBondContact O-CB 3.44Å; F380-L397 HydrophobicContact CD1-CD1 4.22Å; F380-L397 PolarHBondContact O-N 2.92Å; F380-Q398 HydrophobicContact CB-CB 4.44Å; F380-Q398 WeakPolarHBondContact O-CB 3.41Å; F380-Q398 PolarHBondContact O-N 3.44Å
381G93.8Very high93.3Very high11 Ų1143.5 Ų43.511%0.11323%0.232CC..SBendtrans102.514.2-171.600000114.3N379N379-G381 WeakPolarHBondContact OD1-CA 3.38Å; N379-G381 PolarHBondContact OD1-N 2.85Å
382Q93.3Very high93Very high58 Ų5852.7 Ų52.727%0.27128%0.275SS..  trans-82.9-17.4174.880.8-75.4-4.400113.3Y227 F378 N379 Q398Y227-Q382 HydrophobicContact CD1-CG 3.85Å; Y227-Q382 HydrophobicContact CD2-CG 4.18Å; Y227-Q382 HydrophobicContact CE1-CB 4.05Å; Y227-Q382 HydrophobicContact CE1-CG 3.52Å; Y227-Q382 HydrophobicContact CE2-CG 3.91Å; Y227-Q382 HydrophobicContact CG-CG 4.17Å; F378-Q382 PolarHBondContact O-NE2 3.11Å; N379-Q382 PolarHBondContact OD1-N 2.72Å; N379-Q382 PolarHBondContact OD1-OE1 3.33Å; Q382-Q398 HydrophobicContact CB-CG 4.37Å
383M92.6Very high92.9Very high62 Ų6254 Ų5431%0.30530%0.297SS..SBendtrans-77.2141.3177.5-65.7176.464.600110.6N379 T385 Y387N379-M383 HydrophobicContact CB-CG 4.37Å; N379-M383 HydrophobicContact CB-SD 3.69Å; N379-M383 PolarHBondContact OD1-N 3.33Å; M383-T385 VanDerWaalsContact C-N 3.29Å; M383-T385 WeakPolarHBondContact CB-O 3.31Å; M383-T385 PolarHBondContact O-N 2.7Å; M383-Y387 HydrophobicContact CE-CD1 4.43Å; M383-Y387 HydrophobicContact CE-CE1 4Å; M383-Y387 HydrophobicContact CE-CE2 4.16Å; M383-Y387 HydrophobicContact SD-CD2 4.32Å; M383-Y387 HydrophobicContact SD-CE2 3.71Å
384E88.4Confident93Very high197 Ų19755.8 Ų55.892%0.92130%0.304SS*.SBendtrans-62.2-38.3176.7-176.4175-167.100111.8
385T90.1Very high93.1Very high105 Ų10558.4 Ų58.464%0.64432%0.32SS*.SBendtrans-122.3124.9171-47.80000108M383M383-T385 VanDerWaalsContact C-N 3.29Å; M383-T385 WeakPolarHBondContact CB-O 3.31Å; M383-T385 PolarHBondContact O-N 2.7Å
386P93Very high93.1Very high40 Ų4058 Ų5826%0.2632%0.316SS..  trans-66.8165.817231.3-36.3000110.9N379 F388 F396N379-P386 WeakPolarHBondContact ND2-CA 3.5Å; P386-F388 VanDerWaalsContact C-N 3.32Å; P386-F388 WeakPolarHBondContact CB-O 3.42Å; P386-F388 VanDerWaalsContact CG-O 3.28Å; P386-F388 WeakPolarHBondContact CG-O 3.41Å; P386-F396 HydrophobicContact CB-CE2 3.71Å; P386-F396 HydrophobicContact CB-CZ 3.69Å; P386-F396 HydrophobicContact CG-CE2 4.22Å
387Y93Very high93Very high61 Ų6158 Ų5824%0.23932%0.316CS..SBendtrans-67-39.1178.4-64.6-78.7000111.2E258 K260 V326 E377 N379 M383E258-Y387 HydrophobicContact CB-CD2 4.39Å; E258-Y387 WeakPolarHBondContact OE2-CD2 3.31Å; E258-Y387 PolarHBondContact OE2-N 2.94Å; K260-Y387 HydrophobicContact CB-CE2 4.39Å; K260-Y387 HydrophobicContact CD-CE1 3.96Å; V326-Y387 HydrophobicContact CG1-CD2 4.07Å; V326-Y387 HydrophobicContact CG1-CG 4.29Å; V326-Y387 HydrophobicContact CG2-CD1 4.31Å; V326-Y387 HydrophobicContact CG2-CD2 4.35Å; V326-Y387 HydrophobicContact CG2-CG 3.97Å; E377-Y387 WeakPolarHBondContact CG-OH 3.36Å; E377-Y387 PolarHBondContact OE2-OH 2.7Å; N379-Y387 HydrophobicContact CB-CD2 4.21Å; N379-Y387 HydrophobicContact CB-CE2 4.01Å; M383-Y387 HydrophobicContact CE-CD1 4.43Å; M383-Y387 HydrophobicContact CE-CE1 4Å; M383-Y387 HydrophobicContact CE-CE2 4.16Å; M383-Y387 HydrophobicContact SD-CD2 4.32Å; M383-Y387 HydrophobicContact SD-CE2 3.71Å
388F94.1Very high92.9Very high64 Ų6456.8 Ų56.828%0.28131%0.31SS..SBendtrans-129.7158.5175.7-67.7-85.4000111.4E258 V326 N345 P386 T390E258-F388 PolarHBondContact OE1-N 3.14Å; V326-F388 HydrophobicContact CB-CD2 3.94Å; V326-F388 HydrophobicContact CB-CE2 3.7Å; V326-F388 HydrophobicContact CG1-CD2 4.22Å; V326-F388 HydrophobicContact CG1-CE2 4.45Å; V326-F388 HydrophobicContact CG2-CD2 4.31Å; V326-F388 HydrophobicContact CG2-CE2 3.78Å; N345-F388 HydrophobicContact CB-CE1 4.11Å; N345-F388 HydrophobicContact CB-CE2 4.21Å; N345-F388 HydrophobicContact CB-CZ 3.73Å; N345-F388 VanDerWaalsContact O-CD1 3.27Å; N345-F388 WeakPolarHBondContact O-CD1 3.44Å; N345-F388 WeakPolarHBondContact O-CE1 3.25Å; P386-F388 VanDerWaalsContact C-N 3.32Å; P386-F388 WeakPolarHBondContact CB-O 3.42Å; P386-F388 VanDerWaalsContact CG-O 3.28Å; P386-F388 WeakPolarHBondContact CG-O 3.41Å; F388-T390 PolarHBondContact O-N 2.82Å
389P89.9Confident92.7Very high114 Ų11462.1 Ų62.174%0.7434%0.336SS*.PPolyproline II helixtrans-58.2135.4176.1-23.334.4000111.6P391P389-P391 WeakPolarHBondContact O-CD 3.44Å
390T88.8Confident92.6Very high57 Ų5762.9 Ų62.935%0.3534%0.339SS..PPolyproline II helixtrans-62.3127.8177.4-41.70000110.6F388 Y394 F396F388-T390 PolarHBondContact O-N 2.82Å; T390-Y394 VanDerWaalsContact CG2-O 3.29Å; T390-Y394 WeakPolarHBondContact CG2-O 3.46Å; T390-F396 HydrophobicContact CG2-CD2 4.32Å; T390-F396 HydrophobicContact CG2-CE2 4.22Å; T390-F396 WeakPolarHBondContact OG1-CE2 3.47Å
391P87.6Confident92.5Very high32 Ų3265.8 Ų65.821%0.20836%0.358CS..PPolyproline II helixtrans-59.6148.8175.3-30.240.8000113.1L330 P349 P389 G393 Y394L330-P391 HydrophobicContact CD2-CB 3.95Å; L330-P391 HydrophobicContact CD2-CG 3.84Å; P349-P391 HydrophobicContact CG-CB 4.28Å; P349-P391 HydrophobicContact CG-CG 4.34Å; P389-P391 WeakPolarHBondContact O-CD 3.44Å; P391-G393 PolarHBondContact O-N 2.94Å; P391-Y394 HydrophobicContact CB-CD2 4.14Å; P391-Y394 PolarHBondContact O-N 3.2Å; P391-Y394 VanDerWaalsContact O-N 3.13Å
392E86.2Confident92.5Very high192 Ų19268.3 Ų68.390%0.89737%0.371SS*.THydrogen-bonded Turntrans-59.6130.4-169-169.1172.4-164.800112.6Y394E392-Y394 VanDerWaalsContact C-N 3.28Å; E392-Y394 WeakPolarHBondContact O-CD2 3.45Å; E392-Y394 PolarHBondContact O-N 2.95Å
393G89.8Confident92.4Very high54 Ų5470.7 Ų70.756%0.55739%0.394SS*.THydrogen-bonded Turntrans80.3-6.8-178.900000115.9K254 P391K254-G393 WeakPolarHBondContact CB-O 3.48Å; P391-G393 PolarHBondContact O-N 2.94Å
394Y95.3Very high92.5Very high37 Ų3772.8 Ų72.815%0.14540%0.403CS..  trans-91.3144.8176.4-70.1-93.9000112.4K254 A255 L330 D332 T390 P391 E392K254-Y394 HydrophobicContact CB-CD1 3.75Å; K254-Y394 HydrophobicContact CB-CE1 4.02Å; K254-Y394 HydrophobicContact CB-CG 4.2Å; K254-Y394 HydrophobicContact CG-CD1 4.27Å; K254-Y394 HydrophobicContact CG-CE1 4.05Å; A255-Y394 WeakPolarHBondContact O-CD1 3.26Å; L330-Y394 HydrophobicContact CB-CD1 4.17Å; L330-Y394 HydrophobicContact CB-CE1 3.78Å; L330-Y394 HydrophobicContact CD2-CD1 3.69Å; L330-Y394 HydrophobicContact CD2-CD2 3.7Å; L330-Y394 HydrophobicContact CD2-CE1 3.89Å; L330-Y394 HydrophobicContact CD2-CE2 3.89Å; L330-Y394 HydrophobicContact CD2-CG 3.58Å; L330-Y394 HydrophobicContact CG-CD1 4.48Å; L330-Y394 HydrophobicContact CG-CE1 4.47Å; D332-Y394 HydrophobicContact CB-CE1 4.35Å; T390-Y394 VanDerWaalsContact CG2-O 3.29Å; T390-Y394 WeakPolarHBondContact CG2-O 3.46Å; P391-Y394 HydrophobicContact CB-CD2 4.14Å; P391-Y394 PolarHBondContact O-N 3.2Å; P391-Y394 VanDerWaalsContact O-N 3.13Å; E392-Y394 VanDerWaalsContact C-N 3.28Å; E392-Y394 WeakPolarHBondContact O-CD2 3.45Å; E392-Y394 PolarHBondContact O-N 2.95Å
395T95.8Very high92.8Very high56 Ų5664.4 Ų64.434%0.34436%0.363SS..EExtended strand (participates in β ladder)trans-119.2137.6176.6-57.40000110.5K254 A255 C256 Q399 I400K254-T395 PolarHBondContact O-N 2.91Å; K254-T395 VanDerWaalsContact O-N 3.17Å; A255-T395 CarbonylContact C-O 3.53Å; A255-T395 VanDerWaalsContact CA-O 3.26Å; A255-T395 WeakPolarHBondContact CA-O 3.5Å; C256-T395 PolarHBondContact N-O 3.34Å; T395-Q399 HydrophobicContact CG2-CB 3.76Å; T395-I400 HydrophobicContact CG2-CG1 3.81Å
396F96.8Very high93Very high4 Ų461.9 Ų61.92%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-65.1141.7174.9-85.8-73000111.6C256 E258 F380 P386 T390 Q398 Q399 I400C256-F396 WeakPolarHBondContact O-CA 3.5Å; E258-F396 HydrophobicContact CG-CE1 3.97Å; E258-F396 HydrophobicContact CG-CZ 4.09Å; F380-F396 WeakPolarHBondContact O-CB 3.44Å; P386-F396 HydrophobicContact CB-CE2 3.71Å; P386-F396 HydrophobicContact CB-CZ 3.69Å; P386-F396 HydrophobicContact CG-CE2 4.22Å; T390-F396 HydrophobicContact CG2-CD2 4.32Å; T390-F396 HydrophobicContact CG2-CE2 4.22Å; T390-F396 WeakPolarHBondContact OG1-CE2 3.47Å; F396-Q398 VanDerWaalsContact C-N 3.25Å; F396-Q398 PolarHBondContact O-N 2.88Å; F396-Q398 VanDerWaalsContact O-N 3.11Å; F396-Q399 HydrophobicContact CB-CG 4.17Å; F396-Q399 WeakPolarHBondContact O-CA 3.46Å; F396-Q399 WeakPolarHBondContact O-CB 3.47Å; F396-Q399 PolarHBondContact O-N 2.98Å; F396-I400 PolarHBondContact O-N 2.65Å
397L95.9Very high93.1Very high1 Ų163.2 Ų63.21%0.00535%0.348CS..THydrogen-bonded Turntrans-52.6-37.5-177-73.4171.1000114.5V209 V250 A255 C256 F257 W284 P367 F380 Q399 I400 R405V209-L397 HydrophobicContact CB-CB 4.49Å; V209-L397 HydrophobicContact CG1-CB 4.01Å; V209-L397 HydrophobicContact CG1-CD1 4.37Å; V209-L397 HydrophobicContact CG2-CB 4.26Å; V250-L397 HydrophobicContact CB-CD2 4.49Å; V250-L397 HydrophobicContact CG1-CD2 3.57Å; V250-L397 HydrophobicContact CG2-CD2 4.11Å; A255-L397 HydrophobicContact CB-CD2 3.85Å; A255-L397 HydrophobicContact CB-CG 4.5Å; C256-L397 PolarHBondContact O-N 2.76Å; C256-L397 VanDerWaalsContact O-N 3.16Å; F257-L397 HydrophobicContact CB-CD1 4.26Å; F257-L397 HydrophobicContact CD1-CD1 4.2Å; W284-L397 HydrophobicContact CH2-CD1 3.96Å; W284-L397 HydrophobicContact CH2-CD2 4.38Å; W284-L397 HydrophobicContact CH2-CG 4.43Å; W284-L397 HydrophobicContact CZ3-CD1 4.17Å; P367-L397 HydrophobicContact CG-CD1 3.27Å; F380-L397 HydrophobicContact CD1-CD1 4.22Å; F380-L397 PolarHBondContact O-N 2.92Å; L397-Q399 PolarHBondContact O-N 3.34Å; L397-I400 HydrophobicContact CD2-CD1 4.31Å; L397-R405 VanDerWaalsContact O-CZ 3.29Å; L397-R405 PolarHBondContact O-NE 3.21Å; L397-R405 PolarHBondContact O-NH2 3.19Å
398Q95.2Very high93Very high44 Ų4460.6 Ų60.621%0.20634%0.339CS..THydrogen-bonded Turntrans-71.6-13.1178-177.753.860.600113.6V209 F380 Q382 F396 R405V209-Q398 HydrophobicContact CB-CB 4.49Å; F380-Q398 HydrophobicContact CB-CB 4.44Å; F380-Q398 WeakPolarHBondContact O-CB 3.41Å; F380-Q398 PolarHBondContact O-N 3.44Å; Q382-Q398 HydrophobicContact CB-CG 4.37Å; F396-Q398 VanDerWaalsContact C-N 3.25Å; F396-Q398 PolarHBondContact O-N 2.88Å; F396-Q398 VanDerWaalsContact O-N 3.11Å; Q398-R405 PolarHBondContact O-NH2 2.92Å
399Q94.4Very high92.8Very high115 Ų11560.3 Ų60.354%0.53734%0.34SS..THydrogen-bonded Turntrans-98.7-26.9179.5-62.1171.2-7.500112.4T395 F396 L397T395-Q399 HydrophobicContact CG2-CB 3.76Å; F396-Q399 HydrophobicContact CB-CG 4.17Å; F396-Q399 WeakPolarHBondContact O-CA 3.46Å; F396-Q399 WeakPolarHBondContact O-CB 3.47Å; F396-Q399 PolarHBondContact O-N 2.98Å; L397-Q399 PolarHBondContact O-N 3.34Å
400I95.1Very high92.6Very high17 Ų1759.9 Ų59.99%0.08733%0.327CS..SBendtrans-58.6137.5172.9-62.8176.4000109.9V250 A255 T395 F396 L397 E404 R405V250-I400 HydrophobicContact CG1-CD1 4.01Å; A255-I400 HydrophobicContact CB-CD1 3.59Å; T395-I400 HydrophobicContact CG2-CG1 3.81Å; F396-I400 PolarHBondContact O-N 2.65Å; L397-I400 HydrophobicContact CD2-CD1 4.31Å; I400-E404 HydrophobicContact CG2-CB 3.82Å; I400-R405 HydrophobicContact CB-CG 4.36Å; I400-R405 HydrophobicContact CG2-CG 4.05Å; I400-R405 PolarHBondContact O-NE 3.23Å; I400-R405 PolarHBondContact O-NH2 3.43Å
401P94.2Very high92.5Very high61 Ų6158.1 Ų58.140%0.39632%0.32SS..  trans-56.3141.2178-27.536.6000113.5S403 E404 R405P401-S403 PolarHBondContact O-N 3.31Å; P401-S403 VanDerWaalsContact O-N 3.08Å; P401-E404 HydrophobicContact CB-CG 4.48Å; P401-E404 PolarHBondContact O-N 3.36Å; P401-R405 PolarHBondContact O-N 3.06Å
402V92.4Very high92.6Very high63 Ų6357.7 Ų57.738%0.38232%0.317SS..THydrogen-bonded Turntrans-59.1-26.8-178.6-1800000112.6Y248 E404 R405Y248-V402 HydrophobicContact CE1-CG1 4.47Å; V402-E404 VanDerWaalsContact C-N 3.26Å; V402-E404 PolarHBondContact O-N 2.97Å; V402-R405 PolarHBondContact O-N 2.69Å
403S92.6Very high92.6Very high109 Ų10954.6 Ų54.676%0.76230%0.303SS*.THydrogen-bonded Turntrans-67.8-20.6173.745.80000114.7P401P401-S403 PolarHBondContact O-N 3.31Å; P401-S403 VanDerWaalsContact O-N 3.08Å
404E93.3Very high92.5Very high105 Ų10555.2 Ų55.249%0.49130%0.296SS..THydrogen-bonded Turntrans-103.6-5.8-179.2-68.2163.3-142.700112I400 P401 V402I400-E404 HydrophobicContact CG2-CB 3.82Å; P401-E404 HydrophobicContact CB-CG 4.48Å; P401-E404 PolarHBondContact O-N 3.36Å; V402-E404 VanDerWaalsContact C-N 3.26Å; V402-E404 PolarHBondContact O-N 2.97Å
405R94.6Very high92.1Very high21 Ų2155 Ų558%0.07930%0.295CS..SBendtrans-94.3139.4172.5-52.9-179.6-154.4160.2-1.4110.6T207 V209 Y248 L397 Q398 I400 P401 V402T207-R405 PolarHBondContact O-NH1 3.33Å; V209-R405 VanDerWaalsContact CG2-NH1 3.28Å; Y248-R405 HydrophobicContact CD1-CB 3.42Å; Y248-R405 VanDerWaalsContact CD1-CB 3.42Å; Y248-R405 HydrophobicContact CD1-CG 4.4Å; Y248-R405 HydrophobicContact CE1-CB 3.96Å; Y248-R405 HydrophobicContact CG-CB 4.1Å; L397-R405 VanDerWaalsContact O-CZ 3.29Å; L397-R405 PolarHBondContact O-NE 3.21Å; L397-R405 PolarHBondContact O-NH2 3.19Å; Q398-R405 PolarHBondContact O-NH2 2.92Å; I400-R405 HydrophobicContact CB-CG 4.36Å; I400-R405 HydrophobicContact CG2-CG 4.05Å; I400-R405 PolarHBondContact O-NE 3.23Å; I400-R405 PolarHBondContact O-NH2 3.43Å; P401-R405 PolarHBondContact O-N 3.06Å; V402-R405 PolarHBondContact O-N 2.69Å
406V95.1Very high91.9Very high53 Ų5355 Ų5532%0.32130%0.302SS..EExtended strand (participates in β ladder)trans-93.1121.3172.1-177.80000109.3Y248 G249 A364 F366Y248-V406 WeakPolarHBondContact CA-O 3.25Å; G249-V406 PolarHBondContact N-O 2.83Å; G249-V406 PolarHBondContact O-N 3.27Å; A364-V406 HydrophobicContact CB-CB 3.53Å; A364-V406 HydrophobicContact CB-CG1 3.89Å; A364-V406 HydrophobicContact CB-CG2 3.66Å; F366-V406 WeakPolarHBondContact CE1-O 3.33Å; F366-V406 HydrophobicContact CZ-CB 4.46Å; F366-V406 HydrophobicContact CZ-CG1 4.21Å; F366-V406 WeakPolarHBondContact CZ-O 3.24Å
407R94.4Very high91.7Very high68 Ų6858.8 Ų58.826%0.25732%0.322SS..EExtended strand (participates in β ladder)trans-74.5137178.8-174.170.1-161.5-164.67.1110.6E206 T247 Y248E206-R407 PolarHBondContact O-NH1 3.48Å; T247-R407 VanDerWaalsContact CG2-NH2 3.3Å; T247-R407 WeakPolarHBondContact O-CD 3.48Å; T247-R407 PolarHBondContact O-NE 3.1Å; Y248-R407 HydrophobicContact CD1-CB 4.16Å; Y248-R407 HydrophobicContact CE1-CB 3.77Å; Y248-R407 HydrophobicContact CE1-CG 4.27Å; Y248-R407 VanDerWaalsContact CZ-CD 3.44Å
408G91.6Very high91.7Very high6 Ų658.8 Ų58.86%0.06232%0.322CS..PPolyproline II helixtrans-70.4170.9174.400000113.1T247 K410T247-G408 PolarHBondContact O-N 2.99Å; G408-K410 PolarHBondContact O-N 3.02Å
409L88.9Confident91.7Very high57 Ų5757.5 Ų57.530%0.29832%0.316SS..PPolyproline II helixtrans-56.2119.8178-67.2173.6000111.5Y214 N215 T288Y214-L409 WeakPolarHBondContact CD1-O 3.33Å; Y214-L409 HydrophobicContact CE1-CB 4.4Å; N215-L409 PolarHBondContact ND2-O 3.15Å; T288-L409 HydrophobicContact CG2-CD1 4.06Å
410K87.5Confident91.8Very high105 Ų10552 Ų5246%0.45729%0.29SS..PPolyproline II helixtrans-82.1135.9173.1-67.6-171.4178.8-174.80110.6E206 G408E206-K410 IonicContact OE1-NZ 2.67Å; E206-K410 PolarHBondContact OE1-NZ 3.47Å; E206-K410 IonicContact OE2-NZ 3.72Å; E206-K410 PolarHBondContact OE2-NZ 2.9Å; G408-K410 PolarHBondContact O-N 3.02Å
411G86Confident91.8Very high20 Ų2051.5 Ų51.521%0.20629%0.288CS..PPolyproline II helixtrans-75.2172.8173.700000114.6
412P89.5Confident91.9Very high23 Ų2348.7 Ų48.715%0.14927%0.269CS..PPolyproline II helixtrans-61.6136.5169.826.4-33.2000111.3D417 C418P412-D417 HydrophobicContact CB-CB 3.8Å; P412-C418 HydrophobicContact CG-CB 4.25Å; P412-C418 WeakPolarHBondContact CG-SG 3.34Å
413Q85.5Confident92.1Very high128 Ų12845.7 Ų45.760%0.59825%0.251SS*.SBendtrans-77.2-39.8-176-66.1-64.5-26.100112.4K495Q413-K495 WeakPolarHBondContact O-CD 3.43Å; Q413-K495 PolarHBondContact O-NZ 3.2Å
414T87.8Confident92.1Very high67 Ų6740.5 Ų40.541%0.41122%0.215SC..SBendtrans-113.5158.1177.4840000111.4A416 D417 C418T414-A416 PolarHBondContact O-N 3.33Å; T414-A416 PolarHBondContact OG1-N 3.27Å; T414-D417 VanDerWaalsContact CB-OD2 3.31Å; T414-D417 WeakPolarHBondContact CB-OD2 3.24Å; T414-D417 PolarHBondContact N-OD2 3.04Å; T414-D417 VanDerWaalsContact N-OD2 3.11Å; T414-D417 PolarHBondContact O-N 3.46Å; T414-D417 VanDerWaalsContact O-N 3.12Å; T414-D417 PolarHBondContact OG1-N 2.93Å; T414-D417 PolarHBondContact OG1-OD2 3.39Å; T414-C418 PolarHBondContact O-SG 3.15Å
415K88.3Confident92.1Very high32 Ų3235.5 Ų35.514%0.13919%0.191CC..G310 helixtrans-61.5-29.5175.3-156.6179.4-165.9-1730112.6E198 D417 C418 A518 G519 F520E198-K415 WeakPolarHBondContact OE1-CD 3.46Å; E198-K415 WeakPolarHBondContact OE1-CE 3.47Å; E198-K415 IonicContact OE1-NZ 3.62Å; E198-K415 PolarHBondContact OE1-NZ 2.87Å; K415-D417 VanDerWaalsContact C-N 3.28Å; K415-D417 PolarHBondContact O-N 3.37Å; K415-C418 VanDerWaalsContact O-CB 3.3Å; K415-C418 WeakPolarHBondContact O-CB 3.38Å; K415-C418 PolarHBondContact O-N 3.14Å; K415-A518 WeakPolarHBondContact CE-O 3.27Å; K415-A518 PolarHBondContact NZ-O 3.13Å; K415-G519 CarbonylContact C-O 3.6Å; K415-F520 HydrophobicContact CD-CD2 4.31Å; K415-F520 HydrophobicContact CD-CE2 4.16Å; K415-F520 HydrophobicContact CG-CD2 3.71Å; K415-F520 HydrophobicContact CG-CE2 3.64Å; K415-F520 HydrophobicContact CG-CZ 4.41Å; K415-F520 WeakPolarHBondContact O-CA 3.21Å
416A91.3Very high92Very high57 Ų5734.9 Ų34.947%0.47119%0.19SC..G310 helixtrans-72-20.1177.500000113.5T414 G519 Q521T414-A416 PolarHBondContact O-N 3.33Å; T414-A416 PolarHBondContact OG1-N 3.27Å; A416-G519 VanDerWaalsContact CA-O 3.3Å; A416-G519 WeakPolarHBondContact CA-O 3.26Å; A416-G519 PolarHBondContact N-O 3.46Å; A416-Q521 VanDerWaalsContact O-CG 3.3Å; A416-Q521 WeakPolarHBondContact O-CG 3.5Å; A416-Q521 PolarHBondContact O-NE2 2.97Å
417D92.6Very high91.6Very high83 Ų8333.1 Ų33.144%0.44418%0.179SC..G310 helixtrans-87.6-12.4173.3-48.3-52.4000112.1P412 T414 K415P412-D417 HydrophobicContact CB-CB 3.8Å; T414-D417 VanDerWaalsContact CB-OD2 3.31Å; T414-D417 WeakPolarHBondContact CB-OD2 3.24Å; T414-D417 PolarHBondContact N-OD2 3.04Å; T414-D417 VanDerWaalsContact N-OD2 3.11Å; T414-D417 PolarHBondContact O-N 3.46Å; T414-D417 VanDerWaalsContact O-N 3.12Å; T414-D417 PolarHBondContact OG1-N 2.93Å; T414-D417 PolarHBondContact OG1-OD2 3.39Å; K415-D417 VanDerWaalsContact C-N 3.28Å; K415-D417 PolarHBondContact O-N 3.37Å
418C94.7Very high91.2Very high0 Ų030.8 Ų30.80%018%0.176CC..  trans-77.4128.1179.5-57.90000111P412 T414 K415 K495 F520 Q521P412-C418 HydrophobicContact CG-CB 4.25Å; P412-C418 WeakPolarHBondContact CG-SG 3.34Å; T414-C418 PolarHBondContact O-SG 3.15Å; K415-C418 VanDerWaalsContact O-CB 3.3Å; K415-C418 WeakPolarHBondContact O-CB 3.38Å; K415-C418 PolarHBondContact O-N 3.14Å; C418-K495 VanDerWaalsContact SG-CA 3.59Å; C418-F520 HydrophobicContact CB-CD1 3.25Å; C418-F520 HydrophobicContact CB-CE1 3.41Å; C418-F520 VanDerWaalsContact CB-CE1 3.41Å; C418-F520 HydrophobicContact CB-CG 3.97Å; C418-F520 HydrophobicContact CB-CZ 4.24Å; C418-F520 WeakPolarHBondContact O-CA 3.22Å; C418-Q521 PolarHBondContact O-N 3.21Å
419E95.4Very high91.2Very high18 Ų1830.6 Ų30.68%0.08417%0.174CC..EExtended strand (participates in β ladder)trans-103.3130.2179.3-175.4172.3-155.400111.4I421 K445 Y446 N497 Y498 K523E419-I421 HydrophobicContact CG-CG1 4.08Å; E419-K445 IonicContact OE2-NZ 2.91Å; E419-K445 PolarHBondContact OE2-NZ 3.26Å; E419-Y446 HydrophobicContact CG-CE1 4.48Å; E419-Y446 PolarHBondContact OE2-OH 3.1Å; E419-N497 HydrophobicContact CB-CB 4.39Å; E419-N497 PolarHBondContact N-OD1 3.38Å; E419-N497 CarbonylContact O-C 3.27Å; E419-N497 WeakPolarHBondContact O-CA 3.27Å; E419-Y498 PolarHBondContact O-N 2.97Å; E419-K523 HydrophobicContact CG-CD 4.34Å; E419-K523 VanDerWaalsContact OE1-CD 3.25Å; E419-K523 WeakPolarHBondContact OE1-CD 3.43Å; E419-K523 WeakPolarHBondContact OE1-CE 3.15Å; E419-K523 IonicContact OE1-NZ 3.77Å; E419-K523 PolarHBondContact OE1-NZ 3.42Å
420I96.2Very high91.2Very high0 Ų028.7 Ų28.70%017%0.168CC..EExtended strand (participates in β ladder)trans-117.8120.4165-178.4165000110.8V422 Y498 M514 F517 F520 Q521 R522 K523I420-V422 HydrophobicContact CG1-CG2 4.48Å; I420-Y498 WeakPolarHBondContact CA-O 3.46Å; I420-M514 HydrophobicContact CD1-CE 3.95Å; I420-M514 HydrophobicContact CG1-CE 4.47Å; I420-M514 HydrophobicContact CG2-SD 4.39Å; I420-F517 HydrophobicContact CB-CD1 4.49Å; I420-F517 HydrophobicContact CD1-CD1 3.81Å; I420-F517 HydrophobicContact CD1-CD2 3.51Å; I420-F517 HydrophobicContact CD1-CE1 3.65Å; I420-F517 HydrophobicContact CD1-CE2 3.33Å; I420-F517 HydrophobicContact CD1-CG 3.75Å; I420-F517 HydrophobicContact CD1-CZ 3.42Å; I420-F517 VanDerWaalsContact CD1-CZ 3.42Å; I420-F517 HydrophobicContact CG2-CB 3.97Å; I420-F517 HydrophobicContact CG2-CD1 4.38Å; I420-F517 HydrophobicContact CG2-CG 4.07Å; I420-F520 HydrophobicContact CG2-CB 4.15Å; I420-Q521 PolarHBondContact N-O 2.91Å; I420-R522 HydrophobicContact CG2-CB 4.25Å; I420-R522 HydrophobicContact CG2-CG 3.73Å; I420-K523 PolarHBondContact O-N 3.02Å
421I96.8Very high91.4Very high6 Ų624.4 Ų24.43%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-100.4122.4175.1-54.1179.7000108.5E419 M423 W434 Y446 Y498 I499 L500 V525E419-I421 HydrophobicContact CG-CG1 4.08Å; I421-M423 HydrophobicContact CG2-SD 4.2Å; I421-W434 HydrophobicContact CD1-CH2 4.35Å; I421-W434 HydrophobicContact CG2-CH2 4.21Å; I421-W434 HydrophobicContact CG2-CZ3 4.17Å; I421-Y446 HydrophobicContact CD1-CE1 3.79Å; I421-Y446 HydrophobicContact CG1-CE1 4.43Å; I421-Y498 PolarHBondContact N-O 3.39Å; I421-I499 HydrophobicContact CB-CG1 4.2Å; I421-I499 HydrophobicContact CD1-CG1 4.35Å; I421-I499 CarbonylContact O-C 3.47Å; I421-I499 WeakPolarHBondContact O-CA 3.48Å; I421-L500 PolarHBondContact O-N 3.08Å; I421-V525 HydrophobicContact CG2-CB 4.26Å; I421-V525 HydrophobicContact CG2-CG2 3.6Å
422V95.7Very high91.7Very high2 Ų225.6 Ų25.61%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-102.1117.8175.1-179.90000109.2I420 V424 L500 N504 M514 K523 A524 V525 F570I420-V422 HydrophobicContact CG1-CG2 4.48Å; V422-V424 HydrophobicContact CG1-CG2 4.17Å; V422-L500 HydrophobicContact CG1-CD2 4.35Å; V422-L500 HydrophobicContact CG2-CD2 4.45Å; V422-N504 HydrophobicContact CG1-CB 4Å; V422-N504 WeakPolarHBondContact CG1-ND2 3.42Å; V422-M514 HydrophobicContact CG2-CE 3.27Å; V422-M514 HydrophobicContact CG2-SD 3.61Å; V422-K523 PolarHBondContact N-O 3.25Å; V422-A524 WeakPolarHBondContact O-CA 3.43Å; V422-V525 PolarHBondContact O-N 3.22Å; V422-F570 HydrophobicContact CB-CE1 4.06Å; V422-F570 HydrophobicContact CG2-CE1 3.98Å
423M95.6Very high91.8Very high0 Ų028.7 Ų28.70%017%0.171CC..EExtended strand (participates in β ladder)trans-74.1135.1171.6-54.9-50.7-61.100109.6I421 K431 W434 V435 I499 L500 D501 N504 V525 V527I421-M423 HydrophobicContact CG2-SD 4.2Å; M423-K431 HydrophobicContact CB-CB 4.2Å; M423-K431 HydrophobicContact CB-CD 3.81Å; M423-K431 HydrophobicContact CB-CG 4.18Å; M423-K431 HydrophobicContact CE-CB 4.36Å; M423-W434 HydrophobicContact CE-CB 4.08Å; M423-W434 HydrophobicContact CE-CD2 3.74Å; M423-W434 HydrophobicContact CE-CE3 3.33Å; M423-W434 HydrophobicContact CE-CG 4.05Å; M423-W434 HydrophobicContact CE-CZ3 4.07Å; M423-W434 HydrophobicContact SD-CD2 4.41Å; M423-W434 HydrophobicContact SD-CE3 3.47Å; M423-W434 HydrophobicContact SD-CZ3 3.62Å; M423-V435 HydrophobicContact CE-CG2 4.12Å; M423-V435 HydrophobicContact CG-CG2 3.57Å; M423-V435 HydrophobicContact SD-CG2 3.66Å; M423-I499 HydrophobicContact CG-CG2 4.2Å; M423-I499 HydrophobicContact SD-CG2 4.31Å; M423-L500 WeakPolarHBondContact CB-O 3.33Å; M423-L500 WeakPolarHBondContact CG-O 3.5Å; M423-L500 PolarHBondContact N-O 3.48Å; M423-L500 VanDerWaalsContact N-O 3.08Å; M423-D501 HydrophobicContact CG-CB 4.38Å; M423-N504 WeakPolarHBondContact O-CB 3.39Å; M423-N504 PolarHBondContact O-ND2 3.43Å; M423-V525 HydrophobicContact CE-CB 4.04Å; M423-V525 HydrophobicContact CE-CG1 3.79Å; M423-V525 HydrophobicContact SD-CB 4.06Å; M423-V525 HydrophobicContact SD-CG1 4.41Å; M423-V527 HydrophobicContact CE-CG2 3.65Å
424V94.4Very high92.2Very high0 Ų025.3 Ų25.30%015%0.153CC..EExtended strand (participates in β ladder)trans-129.8125.6176.3-177.40000109.3V422 N504 V525 V526 V527 Y561 P564V422-V424 HydrophobicContact CG1-CG2 4.17Å; V424-N504 HydrophobicContact CG2-CB 4.25Å; V424-V525 PolarHBondContact N-O 2.97Å; V424-V526 HydrophobicContact CB-CG2 4.5Å; V424-V526 WeakPolarHBondContact O-CA 3.38Å; V424-V527 PolarHBondContact O-N 3.47Å; V424-Y561 HydrophobicContact CG1-CE2 3.65Å; V424-P564 HydrophobicContact CG2-CG 4.23Å
425G92.6Very high92.6Very high0 Ų022.3 Ų22.30%013%0.134CC..  trans159.9155.7-179.400000113.4K431 T503G425-K431 PolarHBondContact O-NZ 2.89Å; G425-T503 PolarHBondContact N-O 3.41Å; G425-T503 VanDerWaalsContact N-O 3.13Å
426L91.2Very high92.8Very high8 Ų827.8 Ų27.84%0.04216%0.158CC..  trans-59.4158.3-176.6-66.2176.6000112.5G428 S429 K431 L505 Y534 M557 K558 Y561 Y590L426-G428 PolarHBondContact O-N 3.15Å; L426-S429 WeakPolarHBondContact O-CB 3.33Å; L426-S429 PolarHBondContact O-N 3.19Å; L426-S429 PolarHBondContact O-OG 3.01Å; L426-K431 PolarHBondContact O-NZ 2.66Å; L426-L505 HydrophobicContact CD2-CD1 3.89Å; L426-L505 HydrophobicContact CD2-CD2 4.17Å; L426-Y534 HydrophobicContact CB-CE2 3.81Å; L426-Y534 HydrophobicContact CD1-CE1 4.21Å; L426-Y534 HydrophobicContact CD1-CE2 4.27Å; L426-M557 HydrophobicContact CD2-CB 4.01Å; L426-K558 HydrophobicContact CD1-CG 4.24Å; L426-Y561 HydrophobicContact CD2-CD1 4.07Å; L426-Y561 HydrophobicContact CD2-CE1 4.49Å; L426-Y561 HydrophobicContact CG-CD1 4.28Å; L426-Y561 HydrophobicContact CG-CE1 4.25Å; L426-Y590 HydrophobicContact CD1-CD2 4.49Å; L426-Y590 HydrophobicContact CD1-CE2 4.13Å
427P88.2Confident92.9Very high16 Ų1628.8 Ų28.810%0.10416%0.156CC..THydrogen-bonded Turntrans-52.8138.1166.1-21.331.5000110.5S429 T503 Y534 V549 L554 M557P427-S429 VanDerWaalsContact C-N 3.27Å; P427-S429 PolarHBondContact O-N 3.28Å; P427-T503 HydrophobicContact CG-CG2 3.86Å; P427-Y534 VanDerWaalsContact O-CE2 3.25Å; P427-Y534 WeakPolarHBondContact O-CE2 3.42Å; P427-Y534 PolarHBondContact O-OH 3.18Å; P427-V549 HydrophobicContact CB-CG2 4.07Å; P427-V549 HydrophobicContact CG-CG2 4.5Å; P427-L554 HydrophobicContact CB-CD2 4.4Å; P427-L554 HydrophobicContact CG-CD2 4.06Å; P427-M557 WeakPolarHBondContact CD-SD 3.26Å; P427-M557 HydrophobicContact CG-CE 3.78Å; P427-M557 HydrophobicContact CG-SD 3.51Å; P427-M557 VanDerWaalsContact CG-SD 3.51Å
428G86Confident92.9Very high19 Ų1926.5 Ų26.520%0.19614%0.142CC..THydrogen-bonded Turntrans78.9-8.7-178.500000116.4L426 G430 R537L426-G428 PolarHBondContact O-N 3.15Å; G428-G430 VanDerWaalsContact C-N 3.28Å; G428-G430 PolarHBondContact O-N 3.37Å; G428-R537 WeakPolarHBondContact O-CB 3.28Å
429S90.8Very high92.8Very high2 Ų228.4 Ų28.41%0.01415%0.154CC..SBendtrans-61.2-26.2-178.6520000115.8L426 P427 R537L426-S429 WeakPolarHBondContact O-CB 3.33Å; L426-S429 PolarHBondContact O-N 3.19Å; L426-S429 PolarHBondContact O-OG 3.01Å; P427-S429 VanDerWaalsContact C-N 3.27Å; P427-S429 PolarHBondContact O-N 3.28Å; S429-R537 PolarHBondContact O-NH1 3.24Å
430G89.6Confident92.6Very high16 Ų1635 Ų3517%0.16518%0.184CC..SBendtrans118.52.3-177.500000115.8G428 T432 T433 W434G428-G430 VanDerWaalsContact C-N 3.28Å; G428-G430 PolarHBondContact O-N 3.37Å; G430-T432 PolarHBondContact O-N 3.12Å; G430-T433 WeakPolarHBondContact O-CA 3.44Å; G430-T433 VanDerWaalsContact O-CB 3.25Å; G430-T433 WeakPolarHBondContact O-CB 3.46Å; G430-T433 PolarHBondContact O-N 3.3Å; G430-W434 PolarHBondContact O-N 2.8Å; G430-W434 VanDerWaalsContact O-N 3.07Å
431K92.1Very high92.4Very high15 Ų1541.7 Ų41.77%0.06522%0.216CC..Hα-helixtrans-42.6-56.7179.1-63.8-174.4-57.4-720113.8M423 G425 L426 T433 W434 V435 D501 H502 V527M423-K431 HydrophobicContact CB-CB 4.2Å; M423-K431 HydrophobicContact CB-CD 3.81Å; M423-K431 HydrophobicContact CB-CG 4.18Å; M423-K431 HydrophobicContact CE-CB 4.36Å; G425-K431 PolarHBondContact O-NZ 2.89Å; L426-K431 PolarHBondContact O-NZ 2.66Å; K431-T433 VanDerWaalsContact C-N 3.25Å; K431-T433 PolarHBondContact O-N 3.13Å; K431-W434 WeakPolarHBondContact O-CA 3.43Å; K431-W434 WeakPolarHBondContact O-CB 3.32Å; K431-W434 PolarHBondContact O-N 2.8Å; K431-V435 WeakPolarHBondContact O-CG2 3.2Å; K431-V435 PolarHBondContact O-N 3.37Å; K431-D501 WeakPolarHBondContact CB-OD1 3.28Å; K431-H502 WeakPolarHBondContact CD-O 3.44Å; K431-H502 VanDerWaalsContact CE-O 3.26Å; K431-H502 WeakPolarHBondContact CE-O 3.44Å; K431-V527 HydrophobicContact CG-CB 4.11Å; K431-V527 HydrophobicContact CG-CG2 4.32Å
432T90.6Very high92.1Very high46 Ų4643.8 Ų43.828%0.28223%0.227SC..Hα-helixtrans-61.1-31.7-179.1-45.60000113.1G430 V435 K436 D501G430-T432 PolarHBondContact O-N 3.12Å; T432-V435 PolarHBondContact O-N 2.61Å; T432-K436 WeakPolarHBondContact O-CG 3.42Å; T432-K436 PolarHBondContact O-N 3.45Å; T432-D501 VanDerWaalsContact CA-OD2 3.24Å; T432-D501 WeakPolarHBondContact CA-OD2 3.37Å; T432-D501 WeakPolarHBondContact CB-OD2 3.34Å; T432-D501 WeakPolarHBondContact CG2-OD2 3.2Å; T432-D501 PolarHBondContact OG1-OD2 3.28Å
433T92.1Very high91.8Very high87 Ų8747.1 Ų47.153%0.53425%0.249SC..Hα-helixtrans-66.5-45.1173.3-47.90000110.8G430 K431 V435 K436 N437G430-T433 WeakPolarHBondContact O-CA 3.44Å; G430-T433 VanDerWaalsContact O-CB 3.25Å; G430-T433 WeakPolarHBondContact O-CB 3.46Å; G430-T433 PolarHBondContact O-N 3.3Å; K431-T433 VanDerWaalsContact C-N 3.25Å; K431-T433 PolarHBondContact O-N 3.13Å; T433-V435 VanDerWaalsContact C-N 3.32Å; T433-V435 PolarHBondContact O-N 3.22Å; T433-K436 PolarHBondContact O-N 2.99Å; T433-N437 VanDerWaalsContact O-CG 3.27Å; T433-N437 PolarHBondContact O-N 3.07Å; T433-N437 VanDerWaalsContact O-N 3.09Å; T433-N437 PolarHBondContact O-OD1 2.91Å
434W94.8Very high91.4Very high58 Ų5848.3 Ų48.322%0.2226%0.261CS..Hα-helixtrans-59.5-43.7173.6-173.997.6000111.5I421 M423 G430 K431 K436 N437 Q438 V525 V527I421-W434 HydrophobicContact CD1-CH2 4.35Å; I421-W434 HydrophobicContact CG2-CH2 4.21Å; I421-W434 HydrophobicContact CG2-CZ3 4.17Å; M423-W434 HydrophobicContact CE-CB 4.08Å; M423-W434 HydrophobicContact CE-CD2 3.74Å; M423-W434 HydrophobicContact CE-CE3 3.33Å; M423-W434 HydrophobicContact CE-CG 4.05Å; M423-W434 HydrophobicContact CE-CZ3 4.07Å; M423-W434 HydrophobicContact SD-CD2 4.41Å; M423-W434 HydrophobicContact SD-CE3 3.47Å; M423-W434 HydrophobicContact SD-CZ3 3.62Å; G430-W434 PolarHBondContact O-N 2.8Å; G430-W434 VanDerWaalsContact O-N 3.07Å; K431-W434 WeakPolarHBondContact O-CA 3.43Å; K431-W434 WeakPolarHBondContact O-CB 3.32Å; K431-W434 PolarHBondContact O-N 2.8Å; W434-K436 PolarHBondContact O-N 2.8Å; W434-N437 PolarHBondContact O-N 3.25Å; W434-Q438 HydrophobicContact CE3-CB 4.11Å; W434-Q438 HydrophobicContact CH2-CB 3.95Å; W434-Q438 HydrophobicContact CH2-CG 3.68Å; W434-Q438 VanDerWaalsContact CH2-OE1 3.27Å; W434-Q438 HydrophobicContact CZ2-CB 4.49Å; W434-Q438 HydrophobicContact CZ2-CG 4.41Å; W434-Q438 VanDerWaalsContact CZ2-OE1 3.24Å; W434-Q438 HydrophobicContact CZ3-CB 3.76Å; W434-Q438 HydrophobicContact CZ3-CG 3.84Å; W434-Q438 WeakPolarHBondContact O-CB 3.39Å; W434-Q438 PolarHBondContact O-N 3.11Å; W434-V525 HydrophobicContact CD2-CG1 3.98Å; W434-V525 HydrophobicContact CE3-CG1 4.36Å; W434-V525 HydrophobicContact CH2-CB 4.41Å; W434-V525 HydrophobicContact CH2-CG1 4.29Å; W434-V525 HydrophobicContact CH2-CG2 3.75Å; W434-V525 HydrophobicContact CZ2-CB 4.43Å; W434-V525 HydrophobicContact CZ2-CG1 3.89Å; W434-V525 HydrophobicContact CZ2-CG2 3.86Å; W434-V525 HydrophobicContact CZ3-CG2 4.32Å; W434-V527 HydrophobicContact CB-CG2 4.29Å; W434-V527 HydrophobicContact CG-CG2 4.48Å
435V94.8Very high91.2Very high3 Ų351.4 Ų51.42%0.01827%0.274CS..Hα-helixtrans-62.3-44.1178.2174.30000112M423 K431 T432 T433 N437 Q438 V439 I448 I499 D501M423-V435 HydrophobicContact CE-CG2 4.12Å; M423-V435 HydrophobicContact CG-CG2 3.57Å; M423-V435 HydrophobicContact SD-CG2 3.66Å; K431-V435 WeakPolarHBondContact O-CG2 3.2Å; K431-V435 PolarHBondContact O-N 3.37Å; T432-V435 PolarHBondContact O-N 2.61Å; T433-V435 VanDerWaalsContact C-N 3.32Å; T433-V435 PolarHBondContact O-N 3.22Å; V435-N437 PolarHBondContact O-N 3.13Å; V435-Q438 PolarHBondContact O-N 3.26Å; V435-V439 HydrophobicContact CG1-CG2 4.46Å; V435-V439 WeakPolarHBondContact O-CG2 3.03Å; V435-V439 PolarHBondContact O-N 2.82Å; V435-I448 HydrophobicContact CG1-CD1 4.14Å; V435-I448 HydrophobicContact CG1-CG1 4.31Å; V435-I448 HydrophobicContact CG1-CG2 4.33Å; V435-I499 HydrophobicContact CB-CG2 4.36Å; V435-I499 HydrophobicContact CG1-CB 4.49Å; V435-I499 HydrophobicContact CG1-CD1 4.26Å; V435-I499 HydrophobicContact CG1-CG2 3.84Å; V435-I499 HydrophobicContact CG2-CG2 3.61Å; V435-D501 HydrophobicContact CG2-CB 4.06Å
436K92.8Very high91.2Very high148 Ų14852.5 Ų52.564%0.64328%0.279SS*.Hα-helixtrans-57.8-47174.7-75.8178.1177.4-170.70111.5T432 T433 W434 Q438 V439 Q440T432-K436 WeakPolarHBondContact O-CG 3.42Å; T432-K436 PolarHBondContact O-N 3.45Å; T433-K436 PolarHBondContact O-N 2.99Å; W434-K436 PolarHBondContact O-N 2.8Å; K436-Q438 PolarHBondContact O-N 3.41Å; K436-V439 PolarHBondContact O-N 3.39Å; K436-Q440 WeakPolarHBondContact O-CB 3.49Å; K436-Q440 PolarHBondContact O-N 2.8Å
437N93.9Very high91.4Very high78 Ų7853.6 Ų53.642%0.41728%0.282SS..Hα-helixtrans-61.8-43.6177.5-64.5-5.9000111.8T433 W434 V435 V439 Q440 Q441T433-N437 VanDerWaalsContact O-CG 3.27Å; T433-N437 PolarHBondContact O-N 3.07Å; T433-N437 VanDerWaalsContact O-N 3.09Å; T433-N437 PolarHBondContact O-OD1 2.91Å; W434-N437 PolarHBondContact O-N 3.25Å; V435-N437 PolarHBondContact O-N 3.13Å; N437-V439 VanDerWaalsContact C-N 3.33Å; N437-V439 PolarHBondContact O-N 3.32Å; N437-Q440 PolarHBondContact O-N 3.02Å; N437-Q441 VanDerWaalsContact O-CG 3.31Å; N437-Q441 WeakPolarHBondContact O-CG 3.36Å; N437-Q441 PolarHBondContact O-N 3.34Å
438Q93.6Very high91.6Very high35 Ų3555.1 Ų55.116%0.16429%0.289CS..Hα-helixtrans-63.4-37.8179.6-171.965.252.600112.5W434 V435 K436 N442 Y446 I499W434-Q438 HydrophobicContact CE3-CB 4.11Å; W434-Q438 HydrophobicContact CH2-CB 3.95Å; W434-Q438 HydrophobicContact CH2-CG 3.68Å; W434-Q438 VanDerWaalsContact CH2-OE1 3.27Å; W434-Q438 HydrophobicContact CZ2-CB 4.49Å; W434-Q438 HydrophobicContact CZ2-CG 4.41Å; W434-Q438 VanDerWaalsContact CZ2-OE1 3.24Å; W434-Q438 HydrophobicContact CZ3-CB 3.76Å; W434-Q438 HydrophobicContact CZ3-CG 3.84Å; W434-Q438 WeakPolarHBondContact O-CB 3.39Å; W434-Q438 PolarHBondContact O-N 3.11Å; V435-Q438 PolarHBondContact O-N 3.26Å; K436-Q438 PolarHBondContact O-N 3.41Å; Q438-N442 PolarHBondContact NE2-ND2 3.31Å; Q438-N442 PolarHBondContact O-N 3.48Å; Q438-N442 VanDerWaalsContact O-N 3.16Å; Q438-N442 PolarHBondContact O-ND2 3.45Å; Q438-Y446 HydrophobicContact CG-CE2 3.91Å; Q438-I499 HydrophobicContact CG-CD1 4.21Å
439V92.3Very high92Very high39 Ų3954.3 Ų54.324%0.23628%0.281CS..Hα-helixtrans-72.9-40.4176.8171.60000111.3V435 K436 N437 Q441 N442 P443 I448 I499V435-V439 HydrophobicContact CG1-CG2 4.46Å; V435-V439 WeakPolarHBondContact O-CG2 3.03Å; V435-V439 PolarHBondContact O-N 2.82Å; K436-V439 PolarHBondContact O-N 3.39Å; N437-V439 VanDerWaalsContact C-N 3.33Å; N437-V439 PolarHBondContact O-N 3.32Å; V439-Q441 VanDerWaalsContact C-N 3.29Å; V439-Q441 PolarHBondContact O-N 3.09Å; V439-N442 CarbonylContact O-C 3.56Å; V439-N442 PolarHBondContact O-N 3.3Å; V439-P443 WeakPolarHBondContact O-CA 3.1Å; V439-P443 VanDerWaalsContact O-N 3.13Å; V439-I448 HydrophobicContact CG2-CD1 4.06Å; V439-I448 HydrophobicContact CG2-CG1 4.22Å; V439-I499 HydrophobicContact CG2-CD1 4.05Å
440Q91.3Very high91.9Very high156 Ų15654.5 Ų54.573%0.72928%0.282SS*.Hα-helixtrans-62.3-36.5174.3-169.417916.100112.1K436 N437 N442K436-Q440 WeakPolarHBondContact O-CB 3.49Å; K436-Q440 PolarHBondContact O-N 2.8Å; N437-Q440 PolarHBondContact O-N 3.02Å; Q440-N442 VanDerWaalsContact C-N 3.31Å
441Q92Very high91.7Very high142 Ų14253.9 Ų53.966%0.66428%0.275SS*.THydrogen-bonded Turntrans-74.3-18.3173.8-69.6173.51500113.7N437 V439N437-Q441 VanDerWaalsContact O-CG 3.31Å; N437-Q441 WeakPolarHBondContact O-CG 3.36Å; N437-Q441 PolarHBondContact O-N 3.34Å; V439-Q441 VanDerWaalsContact C-N 3.29Å; V439-Q441 PolarHBondContact O-N 3.09Å
442N90.7Very high91.2Very high49 Ų4955.3 Ų55.326%0.26228%0.283SS..SBendtrans-137.765.5-178.4-58.5-103.6000110.9Q438 V439 Q440 G444 K445 Y446Q438-N442 PolarHBondContact NE2-ND2 3.31Å; Q438-N442 PolarHBondContact O-N 3.48Å; Q438-N442 VanDerWaalsContact O-N 3.16Å; Q438-N442 PolarHBondContact O-ND2 3.45Å; V439-N442 CarbonylContact O-C 3.56Å; V439-N442 PolarHBondContact O-N 3.3Å; Q440-N442 VanDerWaalsContact C-N 3.31Å; N442-G444 PolarHBondContact O-N 3.32Å; N442-K445 HydrophobicContact CB-CB 3.84Å; N442-K445 HydrophobicContact CB-CD 4.16Å; N442-K445 WeakPolarHBondContact O-CB 3.4Å; N442-K445 PolarHBondContact O-N 2.8Å; N442-K445 VanDerWaalsContact O-N 3.08Å; N442-Y446 HydrophobicContact CB-CD2 4.27Å; N442-Y446 HydrophobicContact CB-CE2 3.89Å
443P89.1Confident91Very high73 Ų7354.8 Ų54.847%0.47428%0.28SS..THydrogen-bonded Turntrans-56.1130.3-172.3-26.736.6000112.4T288 V439 K445T288-P443 HydrophobicContact CG2-CB 3.84Å; V439-P443 WeakPolarHBondContact O-CA 3.1Å; V439-P443 VanDerWaalsContact O-N 3.13Å; P443-K445 PolarHBondContact O-N 2.63Å
444G85.8Confident90.7Very high24 Ų2450.8 Ų50.825%0.24726%0.255CS..THydrogen-bonded Turntrans65.80.3-179.200000116.6N442N442-G444 PolarHBondContact O-N 3.32Å
445K91.1Very high90.1Very high65 Ų6548.4 Ų48.428%0.28325%0.247SC..THydrogen-bonded Turntrans-67.4-40.5177.8-176.6-177.6171.2-159.10112.4Y214 E419 N442 P443 N497Y214-K445 PolarHBondContact OH-O 3.26Å; E419-K445 IonicContact OE2-NZ 2.91Å; E419-K445 PolarHBondContact OE2-NZ 3.26Å; N442-K445 HydrophobicContact CB-CB 3.84Å; N442-K445 HydrophobicContact CB-CD 4.16Å; N442-K445 WeakPolarHBondContact O-CB 3.4Å; N442-K445 PolarHBondContact O-N 2.8Å; N442-K445 VanDerWaalsContact O-N 3.08Å; P443-K445 PolarHBondContact O-N 2.63Å; K445-N497 WeakPolarHBondContact O-CB 3.3Å; K445-N497 PolarHBondContact O-ND2 3.37Å
446Y93.3Very high89.6Confident23 Ų2351.1 Ų51.19%0.0926%0.261CS..EExtended strand (participates in β ladder)trans-115134.7-168.5-58.7-76.2000112.8E419 I421 Q438 N442 N497 I499E419-Y446 HydrophobicContact CG-CE1 4.48Å; E419-Y446 PolarHBondContact OE2-OH 3.1Å; I421-Y446 HydrophobicContact CD1-CE1 3.79Å; I421-Y446 HydrophobicContact CG1-CE1 4.43Å; Q438-Y446 HydrophobicContact CG-CE2 3.91Å; N442-Y446 HydrophobicContact CB-CD2 4.27Å; N442-Y446 HydrophobicContact CB-CE2 3.89Å; Y446-N497 HydrophobicContact CD1-CB 3.67Å; Y446-N497 HydrophobicContact CE1-CB 4.1Å; Y446-I499 HydrophobicContact CD1-CD1 4.1Å; Y446-I499 HydrophobicContact CD1-CG1 3.83Å; Y446-I499 HydrophobicContact CD2-CD1 3.7Å; Y446-I499 HydrophobicContact CD2-CG1 4.36Å; Y446-I499 HydrophobicContact CE1-CG1 4.48Å; Y446-I499 HydrophobicContact CE2-CD1 4.28Å; Y446-I499 HydrophobicContact CG-CD1 3.57Å; Y446-I499 HydrophobicContact CG-CG1 3.77Å
447Y93.7Very high89.3Confident31 Ų3145 Ų4512%0.12224%0.235CC..EExtended strand (participates in β ladder)trans-89.6117.7166.1-168.7-76.2000109.4D217 L218 L291 L449 N497 Y498 I499D217-Y447 PolarHBondContact OD1-OH 2.76Å; L218-Y447 HydrophobicContact CD1-CD1 4.04Å; L218-Y447 HydrophobicContact CD1-CE1 3.61Å; L218-Y447 HydrophobicContact CG-CD1 4.3Å; L218-Y447 HydrophobicContact CG-CE1 3.77Å; L218-Y447 HydrophobicContact CG-CE2 4.27Å; L218-Y447 PolarHBondContact N-OH 3.03Å; L291-Y447 HydrophobicContact CD1-CE2 4.01Å; Y447-L449 HydrophobicContact CD1-CD2 3.8Å; Y447-L449 HydrophobicContact CD1-CG 4.47Å; Y447-L449 HydrophobicContact CE1-CD2 3.8Å; Y447-N497 PolarHBondContact N-O 3.11Å; Y447-Y498 HydrophobicContact CD1-CD1 4.18Å; Y447-Y498 HydrophobicContact CD1-CE1 4.11Å; Y447-Y498 HydrophobicContact CG-CD1 4.39Å; Y447-Y498 HydrophobicContact CG-CE1 4.19Å; Y447-Y498 WeakPolarHBondContact O-CA 3.31Å; Y447-I499 PolarHBondContact O-N 3.32Å; Y447-I499 VanDerWaalsContact O-N 3.11Å
448I93.9Very high88.6Confident48 Ų4841.6 Ų41.625%0.24622%0.217CC..EExtended strand (participates in β ladder)trans-79.3131.1-178.2-51.5171.9000109.8V435 V439 T453V435-I448 HydrophobicContact CG1-CD1 4.14Å; V435-I448 HydrophobicContact CG1-CG1 4.31Å; V435-I448 HydrophobicContact CG1-CG2 4.33Å; V439-I448 HydrophobicContact CG2-CD1 4.06Å; V439-I448 HydrophobicContact CG2-CG1 4.22Å; I448-T453 HydrophobicContact CB-CG2 3.96Å; I448-T453 HydrophobicContact CG2-CG2 3.83Å
449L93.1Very high87.7Confident3 Ų340.6 Ų40.62%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-111.299172-58.8177.2000108L218 Y447 L484 F487 I488 A491 Y498 I499 L500 D501L218-L449 HydrophobicContact CD1-CD2 3.65Å; Y447-L449 HydrophobicContact CD1-CD2 3.8Å; Y447-L449 HydrophobicContact CD1-CG 4.47Å; Y447-L449 HydrophobicContact CE1-CD2 3.8Å; L449-L484 HydrophobicContact CB-CD1 4.2Å; L449-F487 HydrophobicContact CD2-CB 4.45Å; L449-I488 HydrophobicContact CD1-CG1 4.43Å; L449-A491 HydrophobicContact CD1-CB 3.8Å; L449-A491 HydrophobicContact CD2-CB 4.43Å; L449-Y498 HydrophobicContact CD1-CD1 3.96Å; L449-Y498 HydrophobicContact CD1-CG 4.24Å; L449-Y498 HydrophobicContact CD2-CD1 4.38Å; L449-Y498 HydrophobicContact CG-CD1 4.1Å; L449-I499 PolarHBondContact N-O 2.9Å; L449-L500 HydrophobicContact CB-CD1 4Å; L449-D501 PolarHBondContact O-N 3.12Å
450S90.3Very high86.8Confident5 Ų538.8 Ų38.84%0.03520%0.201CC..EExtended strand (participates in β ladder)trans-145.1156.6176.284.50000111.8D452 T453 I454 D501S450-D452 PolarHBondContact O-N 3.46Å; S450-D452 PolarHBondContact OG-N 3.32Å; S450-T453 PolarHBondContact N-OG1 3.03Å; S450-T453 VanDerWaalsContact N-OG1 3.14Å; S450-T453 PolarHBondContact O-N 3.37Å; S450-T453 PolarHBondContact O-OG1 3.48Å; S450-T453 PolarHBondContact OG-N 2.9Å; S450-T453 PolarHBondContact OG-OG1 3.01Å; S450-I454 PolarHBondContact O-N 2.99Å; S450-D501 WeakPolarHBondContact CB-O 3.39Å
451S83.8Confident85.5Confident4 Ų434.2 Ų34.23%0.02818%0.182CC..Hα-helixtrans-56.3-33.6171.6-57.70000112.2I454 V455S451-I454 PolarHBondContact O-N 3.04Å; S451-V455 WeakPolarHBondContact O-CG2 3.46Å; S451-V455 PolarHBondContact O-N 3.04Å; S451-V455 VanDerWaalsContact O-N 3.13Å
452D82.3Confident84Confident44 Ų4427.6 Ų27.624%0.23515%0.151CC..Hα-helixtrans-67.7-48.1178.2-63.2-37.7000111.9R174 S450 I454 V455 D456R174-D452 IonicContact CZ-OD1 3.62Å; R174-D452 IonicContact NE-OD1 2.82Å; R174-D452 IonicContact NH1-OD1 3.66Å; R174-D452 PolarHBondContact NH1-OD1 3.34Å; R174-D452 IonicContact NH2-OD1 3.96Å; R174-D452 PolarHBondContact NH2-OD1 2.91Å; S450-D452 PolarHBondContact O-N 3.46Å; S450-D452 PolarHBondContact OG-N 3.32Å; D452-I454 PolarHBondContact O-N 3.18Å; D452-I454 VanDerWaalsContact O-N 3.17Å; D452-V455 WeakPolarHBondContact O-CA 3.34Å; D452-V455 WeakPolarHBondContact O-CB 3.41Å; D452-V455 PolarHBondContact O-N 3.31Å; D452-D456 PolarHBondContact O-N 2.87Å
453T86.4Confident82.6Confident36 Ų3628.1 Ų28.122%0.22115%0.154CC..Hα-helixtrans-59.1-30.4176.257.30000113.3I448 S450 K457I448-T453 HydrophobicContact CB-CG2 3.96Å; I448-T453 HydrophobicContact CG2-CG2 3.83Å; S450-T453 PolarHBondContact N-OG1 3.03Å; S450-T453 VanDerWaalsContact N-OG1 3.14Å; S450-T453 PolarHBondContact O-N 3.37Å; S450-T453 PolarHBondContact O-OG1 3.48Å; S450-T453 PolarHBondContact OG-N 2.9Å; S450-T453 PolarHBondContact OG-OG1 3.01Å; T453-K457 WeakPolarHBondContact O-CB 3.42Å; T453-K457 VanDerWaalsContact O-CG 3.27Å; T453-K457 WeakPolarHBondContact O-CG 3.48Å; T453-K457 PolarHBondContact O-N 3.08Å
454I86.9Confident81.3Confident3 Ų328.1 Ų28.12%0.01515%0.146CC..Hα-helixtrans-71.4-42.1173.5-64.7170.9000110.5L240 S450 S451 D452 K457 M458 A480 F483 L484 F487L240-I454 HydrophobicContact CD2-CG2 4.12Å; L240-I454 WeakPolarHBondContact CD2-O 3.33Å; S450-I454 PolarHBondContact O-N 2.99Å; S451-I454 PolarHBondContact O-N 3.04Å; D452-I454 PolarHBondContact O-N 3.18Å; D452-I454 VanDerWaalsContact O-N 3.17Å; I454-K457 PolarHBondContact O-N 2.9Å; I454-M458 HydrophobicContact CG2-CE 3.97Å; I454-M458 WeakPolarHBondContact O-CG 3.4Å; I454-M458 PolarHBondContact O-N 3.06Å; I454-A480 HydrophobicContact CB-CB 4.28Å; I454-A480 HydrophobicContact CG2-CB 3.87Å; I454-F483 HydrophobicContact CG2-CD2 4.39Å; I454-L484 HydrophobicContact CD1-CB 4.07Å; I454-L484 HydrophobicContact CD1-CD1 4.02Å; I454-F487 HydrophobicContact CD1-CD2 3.6Å; I454-F487 HydrophobicContact CD1-CE2 3.99Å; I454-F487 HydrophobicContact CD1-CG 4.3Å; I454-F487 HydrophobicContact CG1-CD2 3.99Å; I454-F487 HydrophobicContact CG1-CE2 3.93Å
455V82.3Confident79.9Confident8 Ų835 Ų355%0.04817%0.165CC..Hα-helixtrans-62.4-44.8175.7172.60000111.4S451 D452 K457 M458 M459 S477 A480S451-V455 WeakPolarHBondContact O-CG2 3.46Å; S451-V455 PolarHBondContact O-N 3.04Å; S451-V455 VanDerWaalsContact O-N 3.13Å; D452-V455 WeakPolarHBondContact O-CA 3.34Å; D452-V455 WeakPolarHBondContact O-CB 3.41Å; D452-V455 PolarHBondContact O-N 3.31Å; V455-K457 PolarHBondContact O-N 2.98Å; V455-M458 WeakPolarHBondContact O-CA 3.27Å; V455-M458 WeakPolarHBondContact O-CB 3.36Å; V455-M458 PolarHBondContact O-N 2.92Å; V455-M459 HydrophobicContact CG1-SD 4.49Å; V455-M459 PolarHBondContact O-N 3.09Å; V455-S477 WeakPolarHBondContact CG1-OG 3.35Å; V455-S477 VanDerWaalsContact CG2-OG 3.25Å; V455-S477 WeakPolarHBondContact CG2-OG 3.3Å; V455-A480 HydrophobicContact CG2-CB 3.48Å; V455-A480 VanDerWaalsContact CG2-CB 3.48Å
456D83Confident78Confident59 Ų5936.7 Ų36.732%0.31617%0.174SC..Hα-helixtrans-66-29.7179.1-64.9-36.2000112.2L292 D452 M459 I460 K464L292-D456 HydrophobicContact CD1-CB 4.49Å; D452-D456 PolarHBondContact O-N 2.87Å; D456-M459 CarbonylContact O-C 3.52Å; D456-M459 PolarHBondContact O-N 2.78Å; D456-M459 VanDerWaalsContact O-O 3.13Å; D456-I460 PolarHBondContact O-N 3.5Å; D456-K464 IonicContact OD1-NZ 2.75Å; D456-K464 PolarHBondContact OD1-NZ 3.05Å
457K86.1Confident76.2Confident20 Ų2037.5 Ų37.59%0.08718%0.182CC..Hα-helixtrans-76.1-19.8170-73.1176.9176.8-56.60114.1D217 L240 W241 L292 T453 I454 V455D217-K457 WeakPolarHBondContact OD1-CE 3.12Å; D217-K457 IonicContact OD1-NZ 2.72Å; D217-K457 PolarHBondContact OD1-NZ 3.45Å; D217-K457 IonicContact OD2-NZ 2.63Å; D217-K457 PolarHBondContact OD2-NZ 3.33Å; L240-K457 WeakPolarHBondContact CA-O 3.33Å; L240-K457 HydrophobicContact CD2-CB 3.61Å; W241-K457 WeakPolarHBondContact CB-O 3.43Å; W241-K457 PolarHBondContact N-O 3.35Å; L292-K457 HydrophobicContact CD2-CG 4.15Å; T453-K457 WeakPolarHBondContact O-CB 3.42Å; T453-K457 VanDerWaalsContact O-CG 3.27Å; T453-K457 WeakPolarHBondContact O-CG 3.48Å; T453-K457 PolarHBondContact O-N 3.08Å; I454-K457 PolarHBondContact O-N 2.9Å; V455-K457 PolarHBondContact O-N 2.98Å
458M80.5Confident74.3Confident7 Ų746 Ų463%0.03422%0.22CC..Hα-helixtrans-81.8-31.7168.8-67.7-178.3171.900111.5L240 I454 V455 I476 F483L240-M458 HydrophobicContact CD2-CB 4.42Å; L240-M458 HydrophobicContact CD2-CE 3.9Å; L240-M458 HydrophobicContact CD2-CG 3.39Å; L240-M458 HydrophobicContact CG-CE 4.01Å; L240-M458 HydrophobicContact CG-CG 4.08Å; I454-M458 HydrophobicContact CG2-CE 3.97Å; I454-M458 WeakPolarHBondContact O-CG 3.4Å; I454-M458 PolarHBondContact O-N 3.06Å; V455-M458 WeakPolarHBondContact O-CA 3.27Å; V455-M458 WeakPolarHBondContact O-CB 3.36Å; V455-M458 PolarHBondContact O-N 2.92Å; M458-I476 HydrophobicContact SD-CG2 3.56Å; M458-I476 VanDerWaalsContact SD-CG2 3.56Å; M458-F483 HydrophobicContact CE-CD2 3.64Å; M458-F483 HydrophobicContact CE-CE2 3.66Å
459M75Confident72.4Confident14 Ų1447 Ų477%0.06923%0.226CC..SBendtrans-137.187.3-170.9-69.3155.9-146.100109.6V455 D456 K464 L473 I476V455-M459 HydrophobicContact CG1-SD 4.49Å; V455-M459 PolarHBondContact O-N 3.09Å; D456-M459 CarbonylContact O-C 3.52Å; D456-M459 PolarHBondContact O-N 2.78Å; D456-M459 VanDerWaalsContact O-O 3.13Å; M459-K464 HydrophobicContact CB-CD 4.45Å; M459-K464 HydrophobicContact CB-CG 3.97Å; M459-K464 WeakPolarHBondContact O-CE 3.37Å; M459-K464 PolarHBondContact O-NZ 3.47Å; M459-L473 HydrophobicContact CE-CB 3.96Å; M459-L473 HydrophobicContact CE-CD2 3.94Å; M459-L473 WeakPolarHBondContact CE-O 3.42Å; M459-L473 HydrophobicContact CG-CD2 3.98Å; M459-L473 HydrophobicContact SD-CB 3.78Å; M459-L473 HydrophobicContact SD-CD2 4.09Å; M459-L473 HydrophobicContact SD-CG 4.36Å; M459-I476 HydrophobicContact CE-CB 3.79Å; M459-I476 HydrophobicContact CE-CG2 3.75Å
460I72.4Confident70.7Confident1 Ų152.7 Ų52.71%0.00526%0.255CS..  trans-56.4141.2166.7-63.5-167.6000108.7W241 L292 E295 I370 D456 S462 L463 K464W241-I460 HydrophobicContact CB-CD1 4.04Å; W241-I460 HydrophobicContact CB-CG1 4.49Å; W241-I460 HydrophobicContact CD2-CD1 3.4Å; W241-I460 HydrophobicContact CD2-CG1 4.28Å; W241-I460 HydrophobicContact CE3-CD1 3.96Å; W241-I460 HydrophobicContact CG-CD1 3.46Å; W241-I460 VanDerWaalsContact CG-CD1 3.46Å; W241-I460 HydrophobicContact CG-CG1 3.94Å; W241-I460 HydrophobicContact CH2-CD1 4.46Å; W241-I460 HydrophobicContact CZ2-CD1 4.06Å; W241-I460 HydrophobicContact CZ3-CD1 4.46Å; L292-I460 HydrophobicContact CD2-CD1 4.16Å; L292-I460 HydrophobicContact CD2-CG1 4.17Å; E295-I460 HydrophobicContact CG-CG2 3.49Å; E295-I460 VanDerWaalsContact CG-CG2 3.49Å; E295-I460 WeakPolarHBondContact OE1-CG2 3.41Å; I370-I460 HydrophobicContact CD1-CD1 3.69Å; D456-I460 PolarHBondContact O-N 3.5Å; I460-S462 WeakPolarHBondContact CG2-OG 3.39Å; I460-S462 PolarHBondContact O-N 3.39Å; I460-L463 HydrophobicContact CB-CD1 4.28Å; I460-L463 HydrophobicContact CB-CG 4.46Å; I460-L463 WeakPolarHBondContact O-CA 3.42Å; I460-L463 WeakPolarHBondContact O-CB 3.26Å; I460-L463 PolarHBondContact O-N 2.77Å; I460-L463 VanDerWaalsContact O-N 3.08Å; I460-K464 PolarHBondContact O-N 3.48Å
461N64.8Low69.3Low59 Ų5957.8 Ų57.832%0.31629%0.286SS..Hα-helixtrans-69.9-33-171.7-51.4-59.8000113E295 C312 L463 K464 R465E295-N461 VanDerWaalsContact OE2-CA 3.31Å; E295-N461 WeakPolarHBondContact OE2-CA 3.48Å; E295-N461 WeakPolarHBondContact OE2-CB 3.43Å; E295-N461 VanDerWaalsContact OE2-CG 3.31Å; E295-N461 PolarHBondContact OE2-N 2.63Å; E295-N461 PolarHBondContact OE2-ND2 3.45Å; C312-N461 HydrophobicContact CB-CB 4.45Å; N461-L463 VanDerWaalsContact C-N 3.26Å; N461-L463 PolarHBondContact O-N 3.4Å; N461-K464 PolarHBondContact O-N 2.71Å; N461-K464 VanDerWaalsContact O-N 3.13Å; N461-K464 WeakPolarHBondContact OD1-CD 3.06Å; N461-K464 PolarHBondContact OD1-NZ 3Å; N461-R465 PolarHBondContact O-N 3.22Å
462S59.6Low68.2Low4 Ų463 Ų633%0.02831%0.308CS..Hα-helixtrans-51-45.6166.141.70000111.8E295 C312 T314 I460 R465 Q466E295-S462 WeakPolarHBondContact OE1-CB 3.49Å; E295-S462 PolarHBondContact OE1-N 3.19Å; E295-S462 VanDerWaalsContact OE1-N 3.13Å; E295-S462 PolarHBondContact OE1-OG 2.83Å; C312-S462 WeakPolarHBondContact O-CB 3.5Å; T314-S462 VanDerWaalsContact OG1-CB 3.3Å; T314-S462 WeakPolarHBondContact OG1-CB 3.42Å; I460-S462 WeakPolarHBondContact CG2-OG 3.39Å; I460-S462 PolarHBondContact O-N 3.39Å; S462-R465 PolarHBondContact O-N 3.35Å; S462-Q466 WeakPolarHBondContact O-CG 3.33Å; S462-Q466 PolarHBondContact O-N 3.17Å
463L61.3Low67Low59 Ų5962.9 Ų62.931%0.30931%0.307SS..Hα-helixtrans-66.6-43.1173.1-66.5173.8000112.8W241 I460 N461 R465 Q466 S467W241-L463 HydrophobicContact CZ2-CD1 4.06Å; I460-L463 HydrophobicContact CB-CD1 4.28Å; I460-L463 HydrophobicContact CB-CG 4.46Å; I460-L463 WeakPolarHBondContact O-CA 3.42Å; I460-L463 WeakPolarHBondContact O-CB 3.26Å; I460-L463 PolarHBondContact O-N 2.77Å; I460-L463 VanDerWaalsContact O-N 3.08Å; N461-L463 VanDerWaalsContact C-N 3.26Å; N461-L463 PolarHBondContact O-N 3.4Å; L463-R465 PolarHBondContact O-N 3.5Å; L463-Q466 PolarHBondContact O-N 3.01Å; L463-S467 WeakPolarHBondContact O-CB 3.39Å; L463-S467 PolarHBondContact O-N 2.95Å; L463-S467 PolarHBondContact O-OG 3.29Å
464K61.2Low65.9Low74 Ų7462.6 Ų62.632%0.32231%0.307SS..Hα-helixtrans-55.7-35.3178-67.9175.8-176.5143.80112D456 M459 I460 N461 S467D456-K464 IonicContact OD1-NZ 2.75Å; D456-K464 PolarHBondContact OD1-NZ 3.05Å; M459-K464 HydrophobicContact CB-CD 4.45Å; M459-K464 HydrophobicContact CB-CG 3.97Å; M459-K464 WeakPolarHBondContact O-CE 3.37Å; M459-K464 PolarHBondContact O-NZ 3.47Å; I460-K464 PolarHBondContact O-N 3.48Å; N461-K464 PolarHBondContact O-N 2.71Å; N461-K464 VanDerWaalsContact O-N 3.13Å; N461-K464 WeakPolarHBondContact OD1-CD 3.06Å; N461-K464 PolarHBondContact OD1-NZ 3Å; K464-S467 PolarHBondContact O-OG 3.38Å
465R56.4Low64.9Low167 Ų16764.6 Ų64.663%0.6332%0.324SS*.Hα-helixtrans-77.5-24.5178.6-67.5-163.6-73.2-155.510.3113.9C312 N461 S462 L463C312-R465 PolarHBondContact O-NH2 3.47Å; N461-R465 PolarHBondContact O-N 3.22Å; S462-R465 PolarHBondContact O-N 3.35Å; L463-R465 PolarHBondContact O-N 3.5Å
466Q52.7Low64Low102 Ų10265.6 Ų65.648%0.47733%0.329SS..Hα-helixtrans-95.6-22.9-179.3-67178.1-0.800113.4S462 L463 K468S462-Q466 WeakPolarHBondContact O-CG 3.33Å; S462-Q466 PolarHBondContact O-N 3.17Å; L463-Q466 PolarHBondContact O-N 3.01Å; Q466-K468 PolarHBondContact O-N 3.33Å
467S55.4Low63.2Low39 Ų3964 Ų6427%0.27332%0.322SS..  trans-77.7117.4-174.660.20000113.4L463 K464 D469 L473L463-S467 WeakPolarHBondContact O-CB 3.39Å; L463-S467 PolarHBondContact O-N 2.95Å; L463-S467 PolarHBondContact O-OG 3.29Å; K464-S467 PolarHBondContact O-OG 3.38Å; S467-D469 VanDerWaalsContact C-N 3.3Å; S467-D469 PolarHBondContact O-N 2.95Å; S467-L473 VanDerWaalsContact OG-CD1 3.22Å; S467-L473 WeakPolarHBondContact OG-CD1 3.3Å
468K52.7Low62.3Low211 Ų21166 Ų6692%0.91733%0.332SS*.SBendtrans-74.4-16.3172.4-60.9-178.2-178179.50113.9Q466 I470Q466-K468 PolarHBondContact O-N 3.33Å; K468-I470 PolarHBondContact O-N 2.97Å
469D54.3Low61.7Low68 Ų6872 Ų7236%0.36435%0.354SS..  trans-103.663.2-169-158.2-27.2000112.7S467 T471 K472S467-D469 VanDerWaalsContact C-N 3.3Å; S467-D469 PolarHBondContact O-N 2.95Å; D469-T471 PolarHBondContact O-N 3.47Å; D469-K472 PolarHBondContact O-N 3.03Å; D469-K472 WeakPolarHBondContact OD1-CG 3.49Å; D469-K472 VanDerWaalsContact OD2-CD 3.23Å; D469-K472 WeakPolarHBondContact OD2-CD 3.14Å; D469-K472 WeakPolarHBondContact OD2-CE 3.36Å; D469-K472 IonicContact OD2-NZ 2.66Å; D469-K472 PolarHBondContact OD2-NZ 2.82Å
470I58.2Low61.5Low123 Ų12371.3 Ų71.363%0.63135%0.351SS*.Hα-helixtrans-60.5-31.1-174.7-61172.2000111.8K468 L473 S474K468-I470 PolarHBondContact O-N 2.97Å; I470-L473 WeakPolarHBondContact O-CB 3.19Å; I470-L473 PolarHBondContact O-N 2.88Å; I470-S474 PolarHBondContact O-N 2.96Å
471T59.8Low61.4Low112 Ų11271.7 Ų71.769%0.68735%0.353SS*.Hα-helixtrans-68.1-43.9-175.3-45.40000112.3D469 L473 S474 A475D469-T471 PolarHBondContact O-N 3.47Å; T471-L473 VanDerWaalsContact C-N 3.29Å; T471-L473 PolarHBondContact O-N 2.94Å; T471-S474 PolarHBondContact O-N 3.36Å; T471-A475 PolarHBondContact O-N 2.72Å; T471-A475 VanDerWaalsContact O-N 3.11Å
472K60.5Low61.6Low113 Ų11373 Ų7349%0.49136%0.36SS..Hα-helixtrans-64.1-36173.9-70.7178.3-166.5147.20111.7D469 A475 I476D469-K472 PolarHBondContact O-N 3.03Å; D469-K472 WeakPolarHBondContact OD1-CG 3.49Å; D469-K472 VanDerWaalsContact OD2-CD 3.23Å; D469-K472 WeakPolarHBondContact OD2-CD 3.14Å; D469-K472 WeakPolarHBondContact OD2-CE 3.36Å; D469-K472 IonicContact OD2-NZ 2.66Å; D469-K472 PolarHBondContact OD2-NZ 2.82Å; K472-A475 PolarHBondContact O-N 3.18Å; K472-I476 WeakPolarHBondContact O-CG1 3.45Å; K472-I476 PolarHBondContact O-N 3.46Å; K472-I476 VanDerWaalsContact O-N 3.12Å
473L57.8Low62.3Low41 Ų4174 Ų7422%0.21536%0.364CS..Hα-helixtrans-65.5-44.4175.6-62.4-178.1000111.6M459 S467 I470 T471 A475 I476 S477M459-L473 HydrophobicContact CE-CB 3.96Å; M459-L473 HydrophobicContact CE-CD2 3.94Å; M459-L473 WeakPolarHBondContact CE-O 3.42Å; M459-L473 HydrophobicContact CG-CD2 3.98Å; M459-L473 HydrophobicContact SD-CB 3.78Å; M459-L473 HydrophobicContact SD-CD2 4.09Å; M459-L473 HydrophobicContact SD-CG 4.36Å; S467-L473 VanDerWaalsContact OG-CD1 3.22Å; S467-L473 WeakPolarHBondContact OG-CD1 3.3Å; I470-L473 WeakPolarHBondContact O-CB 3.19Å; I470-L473 PolarHBondContact O-N 2.88Å; T471-L473 VanDerWaalsContact C-N 3.29Å; T471-L473 PolarHBondContact O-N 2.94Å; L473-A475 VanDerWaalsContact C-N 3.32Å; L473-A475 PolarHBondContact O-N 3.16Å; L473-I476 PolarHBondContact O-N 3.31Å; L473-S477 WeakPolarHBondContact O-CB 3.25Å; L473-S477 PolarHBondContact O-N 2.99Å
474S64Low63.4Low30 Ų3071.2 Ų71.221%0.2135%0.349CS..Hα-helixtrans-55.1-46.7172.8-171.40000111.7I470 T471 I476 S477 Q478I470-S474 PolarHBondContact O-N 2.96Å; T471-S474 PolarHBondContact O-N 3.36Å; S474-I476 PolarHBondContact O-N 2.63Å; S474-S477 WeakPolarHBondContact O-CB 3.45Å; S474-S477 PolarHBondContact O-N 2.99Å; S474-Q478 WeakPolarHBondContact O-CG 3.33Å; S474-Q478 PolarHBondContact O-N 2.81Å
475A65.1Low64.4Low46 Ų4668.4 Ų68.438%0.3834%0.342SS..Hα-helixtrans-64.4-33.9-179.700000114T471 K472 L473T471-A475 PolarHBondContact O-N 2.72Å; T471-A475 VanDerWaalsContact O-N 3.11Å; K472-A475 PolarHBondContact O-N 3.18Å; L473-A475 VanDerWaalsContact C-N 3.32Å; L473-A475 PolarHBondContact O-N 3.16Å
476I63.1Low65.7Low28 Ų2862.7 Ų62.714%0.14432%0.321CS..Hα-helixtrans-71.7-44.4173-68167.9000110.2Y239 M458 M459 K472 L473 S474 Q478 R479Y239-I476 HydrophobicContact CD1-CD1 4.19Å; Y239-I476 HydrophobicContact CE1-CD1 4.25Å; M458-I476 HydrophobicContact SD-CG2 3.56Å; M458-I476 VanDerWaalsContact SD-CG2 3.56Å; M459-I476 HydrophobicContact CE-CB 3.79Å; M459-I476 HydrophobicContact CE-CG2 3.75Å; K472-I476 WeakPolarHBondContact O-CG1 3.45Å; K472-I476 PolarHBondContact O-N 3.46Å; K472-I476 VanDerWaalsContact O-N 3.12Å; L473-I476 PolarHBondContact O-N 3.31Å; S474-I476 PolarHBondContact O-N 2.63Å; I476-Q478 VanDerWaalsContact C-N 3.31Å; I476-Q478 PolarHBondContact O-N 3.25Å; I476-R479 WeakPolarHBondContact O-CB 3.25Å; I476-R479 PolarHBondContact O-N 3.35Å
477S66.9Low67.4Low26 Ų2658 Ų5818%0.18230%0.3CS..Hα-helixtrans-58.3-39.2178.3-1760000112.7V455 L473 S474 R479 A480V455-S477 WeakPolarHBondContact CG1-OG 3.35Å; V455-S477 VanDerWaalsContact CG2-OG 3.25Å; V455-S477 WeakPolarHBondContact CG2-OG 3.3Å; L473-S477 WeakPolarHBondContact O-CB 3.25Å; L473-S477 PolarHBondContact O-N 2.99Å; S474-S477 WeakPolarHBondContact O-CB 3.45Å; S474-S477 PolarHBondContact O-N 2.99Å; S477-R479 PolarHBondContact O-N 2.95Å; S477-R479 VanDerWaalsContact O-N 3.08Å; S477-A480 VanDerWaalsContact O-CB 3.27Å; S477-A480 WeakPolarHBondContact O-CB 3.46Å; S477-A480 PolarHBondContact O-N 3.23Å
478Q67.2Low69.1Low62 Ų6256.4 Ų56.429%0.2929%0.288SS..THydrogen-bonded Turntrans-58.5-20.8174.5-73.5179.420.300114.1E171 F177 S474 I476E171-Q478 PolarHBondContact OE1-NE2 3.07Å; F177-Q478 HydrophobicContact CZ-CB 4.33Å; S474-Q478 WeakPolarHBondContact O-CG 3.33Å; S474-Q478 PolarHBondContact O-N 2.81Å; I476-Q478 VanDerWaalsContact C-N 3.31Å; I476-Q478 PolarHBondContact O-N 3.25Å
479R67.2Low70.7Confident132 Ų13250.8 Ų50.850%0.49827%0.265SS..THydrogen-bonded Turntrans-85.9-18177-56.4-179.9-179.8-176-2.2113I476 S477 P481 L482 F483I476-R479 WeakPolarHBondContact O-CB 3.25Å; I476-R479 PolarHBondContact O-N 3.35Å; S477-R479 PolarHBondContact O-N 2.95Å; S477-R479 VanDerWaalsContact O-N 3.08Å; R479-P481 VanDerWaalsContact C-CD 3.46Å; R479-L482 VanDerWaalsContact O-CB 3.26Å; R479-L482 WeakPolarHBondContact O-CB 3.45Å; R479-L482 PolarHBondContact O-N 3.47Å; R479-F483 VanDerWaalsContact C-CE2 3.45Å; R479-F483 HydrophobicContact CB-CE2 3.6Å; R479-F483 HydrophobicContact CB-CZ 3.55Å; R479-F483 WeakPolarHBondContact O-CD2 3.46Å; R479-F483 WeakPolarHBondContact O-CE2 3.48Å
480A70.7Confident72.3Confident1 Ų149 Ų491%0.00826%0.255CS..THydrogen-bonded Turntrans-51.6-42.1-172.400000115.8I454 V455 S477 L482 F483I454-A480 HydrophobicContact CB-CB 4.28Å; I454-A480 HydrophobicContact CG2-CB 3.87Å; V455-A480 HydrophobicContact CG2-CB 3.48Å; V455-A480 VanDerWaalsContact CG2-CB 3.48Å; S477-A480 VanDerWaalsContact O-CB 3.27Å; S477-A480 WeakPolarHBondContact O-CB 3.46Å; S477-A480 PolarHBondContact O-N 3.23Å; A480-L482 PolarHBondContact O-N 3.24Å; A480-F483 PolarHBondContact O-N 3.26Å; A480-F483 VanDerWaalsContact O-N 3.1Å
481P69.8Low73.9Confident8 Ų843.1 Ų43.15%0.05223%0.225CC..Hα-helixtrans-59.5-31.3176.8-24.535.3000113.4F177 R479 F483 L484F177-P481 HydrophobicContact CB-CB 4.23Å; F177-P481 HydrophobicContact CB-CG 3.98Å; R479-P481 VanDerWaalsContact C-CD 3.46Å; P481-F483 PolarHBondContact O-N 2.87Å; P481-F483 VanDerWaalsContact O-N 3.15Å; P481-L484 PolarHBondContact O-N 3.36Å
482L69.5Low75.4Confident86 Ų8637.8 Ų37.845%0.4519%0.192SC..Hα-helixtrans-67.1-15.7-180-55.4174.2000113.1R479 A480R479-L482 VanDerWaalsContact O-CB 3.26Å; R479-L482 WeakPolarHBondContact O-CB 3.45Å; R479-L482 PolarHBondContact O-N 3.47Å; A480-L482 PolarHBondContact O-N 3.24Å
483F74.4Confident76.6Confident25 Ų2536.4 Ų36.411%0.1118%0.184CC..Hα-helixtrans-98.6-17-179.4-46.8-46.8000113S236 I454 M458 R479 A480 P481 G485 K486 F487S236-F483 WeakPolarHBondContact OG-CE1 3.31Å; S236-F483 WeakPolarHBondContact OG-CZ 3.35Å; I454-F483 HydrophobicContact CG2-CD2 4.39Å; M458-F483 HydrophobicContact CE-CD2 3.64Å; M458-F483 HydrophobicContact CE-CE2 3.66Å; R479-F483 VanDerWaalsContact C-CE2 3.45Å; R479-F483 HydrophobicContact CB-CE2 3.6Å; R479-F483 HydrophobicContact CB-CZ 3.55Å; R479-F483 WeakPolarHBondContact O-CD2 3.46Å; R479-F483 WeakPolarHBondContact O-CE2 3.48Å; A480-F483 PolarHBondContact O-N 3.26Å; A480-F483 VanDerWaalsContact O-N 3.1Å; P481-F483 PolarHBondContact O-N 2.87Å; P481-F483 VanDerWaalsContact O-N 3.15Å; F483-G485 PolarHBondContact O-N 3.15Å; F483-K486 PolarHBondContact O-N 3.1Å; F483-F487 PolarHBondContact O-N 3.45Å; F483-F487 VanDerWaalsContact O-N 3.15Å
484L84.1Confident78.1Confident1 Ų137.3 Ų37.31%0.00519%0.186CC..Hα-helixtrans-57.8-37.6-178.7-174.461.6000111.6L449 I454 P481 K486 F487 I488 L500 H502L449-L484 HydrophobicContact CB-CD1 4.2Å; I454-L484 HydrophobicContact CD1-CB 4.07Å; I454-L484 HydrophobicContact CD1-CD1 4.02Å; P481-L484 PolarHBondContact O-N 3.36Å; L484-K486 VanDerWaalsContact C-N 3.33Å; L484-K486 PolarHBondContact O-N 3.09Å; L484-F487 WeakPolarHBondContact O-CB 3.31Å; L484-F487 PolarHBondContact O-N 3.21Å; L484-I488 HydrophobicContact CG-CD1 4.06Å; L484-I488 HydrophobicContact CG-CG1 4.5Å; L484-I488 VanDerWaalsContact O-CG1 3.27Å; L484-I488 WeakPolarHBondContact O-CG1 2.88Å; L484-I488 PolarHBondContact O-N 2.99Å; L484-L500 HydrophobicContact CD1-CD1 4.44Å; L484-L500 HydrophobicContact CD2-CD1 4.3Å; L484-H502 HydrophobicContact CD2-CB 4.31Å
485G82.8Confident79.4Confident16 Ų1639.4 Ų39.417%0.16519%0.191CC..Hα-helixtrans-55-42172.200000114.1F483 I488 E489F483-G485 PolarHBondContact O-N 3.15Å; G485-I488 PolarHBondContact O-N 3.36Å; G485-E489 WeakPolarHBondContact O-CG 3.49Å; G485-E489 PolarHBondContact O-N 3Å; G485-E489 VanDerWaalsContact O-N 3.08Å
486K83.9Confident80.7Confident46 Ų4637.5 Ų37.520%0.217%0.174CC..Hα-helixtrans-70.1-39.1176.6-69-173171.3-176.30111.8E235 F237 F483 L484 I488 E489 I490E235-K486 IonicContact OE1-NZ 2.74Å; E235-K486 PolarHBondContact OE1-NZ 3.3Å; E235-K486 IonicContact OE2-NZ 3.94Å; E235-K486 PolarHBondContact OE2-NZ 3.26Å; F237-K486 HydrophobicContact CE2-CB 4.38Å; F237-K486 HydrophobicContact CE2-CD 3.96Å; F237-K486 HydrophobicContact CZ-CB 4.07Å; F237-K486 HydrophobicContact CZ-CD 4.47Å; F483-K486 PolarHBondContact O-N 3.1Å; L484-K486 VanDerWaalsContact C-N 3.33Å; L484-K486 PolarHBondContact O-N 3.09Å; K486-I488 VanDerWaalsContact C-N 3.32Å; K486-I488 PolarHBondContact O-N 2.6Å; K486-E489 PolarHBondContact O-N 2.75Å; K486-I490 WeakPolarHBondContact O-CG1 3.48Å; K486-I490 PolarHBondContact O-N 3.37Å
487F88.9Confident82.2Confident5 Ų536.8 Ų36.82%0.02217%0.171CC..Hα-helixtrans-60.8-41.1173.3-88.8-82.4000112.3L218 H219 F237 L240 L449 I454 F483 L484 I490 A491L218-F487 HydrophobicContact CB-CD1 4.17Å; L218-F487 HydrophobicContact CB-CE1 4.27Å; L218-F487 HydrophobicContact CD1-CD1 4.08Å; H219-F487 HydrophobicContact CB-CE1 4.45Å; H219-F487 HydrophobicContact CB-CZ 4.44Å; H219-F487 AromaticContact CG-CZ 3.95Å; H219-F487 AromaticContact ND1-CE1 3.44Å; H219-F487 WeakPolarHBondContact ND1-CE1 3.3Å; H219-F487 AromaticContact ND1-CZ 3.59Å; F237-F487 HydrophobicContact CD1-CE2 4.4Å; F237-F487 HydrophobicContact CD1-CZ 4.39Å; F237-F487 HydrophobicContact CE1-CD2 4.28Å; F237-F487 HydrophobicContact CE1-CE1 4.49Å; F237-F487 AromaticContact CE1-CE2 3.7Å; F237-F487 HydrophobicContact CE1-CE2 3.7Å; F237-F487 AromaticContact CE1-CZ 3.83Å; F237-F487 HydrophobicContact CE1-CZ 3.83Å; F237-F487 HydrophobicContact CZ-CE2 4.48Å; L240-F487 HydrophobicContact CD1-CE2 3.79Å; L240-F487 HydrophobicContact CD1-CZ 3.74Å; L449-F487 HydrophobicContact CD2-CB 4.45Å; I454-F487 HydrophobicContact CD1-CD2 3.6Å; I454-F487 HydrophobicContact CD1-CE2 3.99Å; I454-F487 HydrophobicContact CD1-CG 4.3Å; I454-F487 HydrophobicContact CG1-CD2 3.99Å; I454-F487 HydrophobicContact CG1-CE2 3.93Å; F483-F487 PolarHBondContact O-N 3.45Å; F483-F487 VanDerWaalsContact O-N 3.15Å; L484-F487 WeakPolarHBondContact O-CB 3.31Å; L484-F487 PolarHBondContact O-N 3.21Å; F487-I490 PolarHBondContact O-N 3.23Å; F487-A491 VanDerWaalsContact O-CB 3.25Å; F487-A491 WeakPolarHBondContact O-CB 3.46Å; F487-A491 PolarHBondContact O-N 2.6Å
488I89.9Confident83.6Confident5 Ų535.6 Ų35.63%0.02616%0.162CC..Hα-helixtrans-62-43.3174.3-69.5164.8000111.3L449 L484 G485 K486 I490 A491 A492 L500 K513 L516 F517L449-I488 HydrophobicContact CD1-CG1 4.43Å; L484-I488 HydrophobicContact CG-CD1 4.06Å; L484-I488 HydrophobicContact CG-CG1 4.5Å; L484-I488 VanDerWaalsContact O-CG1 3.27Å; L484-I488 WeakPolarHBondContact O-CG1 2.88Å; L484-I488 PolarHBondContact O-N 2.99Å; G485-I488 PolarHBondContact O-N 3.36Å; K486-I488 VanDerWaalsContact C-N 3.32Å; K486-I488 PolarHBondContact O-N 2.6Å; I488-I490 VanDerWaalsContact C-N 3.34Å; I488-I490 PolarHBondContact O-N 3.22Å; I488-A491 PolarHBondContact O-N 2.95Å; I488-A492 PolarHBondContact O-N 3.08Å; I488-L500 HydrophobicContact CD1-CD1 3.85Å; I488-L500 HydrophobicContact CD1-CD2 4.41Å; I488-L500 HydrophobicContact CG1-CD1 4.12Å; I488-K513 HydrophobicContact CD1-CD 4.16Å; I488-L516 HydrophobicContact CG2-CD1 3.77Å; I488-F517 HydrophobicContact CG2-CE2 3.8Å; I488-F517 HydrophobicContact CG2-CZ 4.14Å
489E86.8Confident85Confident92 Ų9232.6 Ų32.643%0.4315%0.149SC..Hα-helixtrans-66.5-30.8178.1-74178.2-17600113.8G485 K486 L516G485-E489 WeakPolarHBondContact O-CG 3.49Å; G485-E489 PolarHBondContact O-N 3Å; G485-E489 VanDerWaalsContact O-N 3.08Å; K486-E489 PolarHBondContact O-N 2.75Å; E489-L516 HydrophobicContact CG-CD1 4.19Å
490I88.4Confident86.3Confident30 Ų3026.3 Ų26.315%0.15413%0.125CC..Hα-helixtrans-77.6-43.4173.2-63.4164.7000110.6L218 F237 K486 F487 I488 A492 R493L218-I490 HydrophobicContact CB-CG2 3.98Å; F237-I490 HydrophobicContact CE1-CD1 4.42Å; F237-I490 HydrophobicContact CZ-CD1 3.93Å; K486-I490 WeakPolarHBondContact O-CG1 3.48Å; K486-I490 PolarHBondContact O-N 3.37Å; F487-I490 PolarHBondContact O-N 3.23Å; I488-I490 VanDerWaalsContact C-N 3.34Å; I488-I490 PolarHBondContact O-N 3.22Å; I490-A492 VanDerWaalsContact C-N 3.3Å; I490-A492 PolarHBondContact O-N 3.01Å; I490-R493 WeakPolarHBondContact O-CB 3.13Å; I490-R493 PolarHBondContact O-N 3.15Å; I490-R493 VanDerWaalsContact O-N 3.12Å
491A91.9Very high87.3Confident0 Ų026.7 Ų26.70%013%0.127CC..Hα-helixtrans-57.3-41.8178.400000112.1L218 L449 F487 I488 R493 K494 Y498 F517L218-A491 HydrophobicContact CD1-CB 3.82Å; L449-A491 HydrophobicContact CD1-CB 3.8Å; L449-A491 HydrophobicContact CD2-CB 4.43Å; F487-A491 VanDerWaalsContact O-CB 3.25Å; F487-A491 WeakPolarHBondContact O-CB 3.46Å; F487-A491 PolarHBondContact O-N 2.6Å; I488-A491 PolarHBondContact O-N 2.95Å; A491-R493 PolarHBondContact O-N 3.08Å; A491-K494 PolarHBondContact O-N 3Å; A491-K494 VanDerWaalsContact O-N 3.15Å; A491-Y498 HydrophobicContact CB-CD1 4.07Å; A491-Y498 HydrophobicContact CB-CD2 4.35Å; A491-Y498 HydrophobicContact CB-CE1 3.69Å; A491-Y498 HydrophobicContact CB-CE2 3.97Å; A491-Y498 HydrophobicContact CB-CG 4.4Å; A491-Y498 VanDerWaalsContact O-CE2 3.31Å; A491-Y498 WeakPolarHBondContact O-CE2 3.43Å; A491-Y498 PolarHBondContact O-OH 2.8Å; A491-F517 HydrophobicContact CB-CE1 4.03Å; A491-F517 HydrophobicContact CB-CZ 4Å
492A90.4Very high88Confident1 Ų126.4 Ų26.41%0.00813%0.125CC..THydrogen-bonded Turntrans-62-11179.100000115.1P196 I488 I490 L516 F517P196-A492 HydrophobicContact CG-CB 4.4Å; I488-A492 PolarHBondContact O-N 3.08Å; I490-A492 VanDerWaalsContact C-N 3.3Å; I490-A492 PolarHBondContact O-N 3.01Å; A492-L516 HydrophobicContact CB-CB 3.8Å; A492-F517 HydrophobicContact CB-CD1 4.08Å; A492-F517 HydrophobicContact CB-CE1 3.92Å; A492-F517 HydrophobicContact CB-CE2 4.42Å; A492-F517 HydrophobicContact CB-CG 4.39Å; A492-F517 HydrophobicContact CB-CZ 4.09Å
493R86.6Confident88.7Confident83 Ų8322.4 Ų22.431%0.31310%0.104SC..THydrogen-bonded Turntrans-97.4-24.3177.3-56.8-173.2-166.8-166.54.4114.1P196 E199 I490 A491P196-R493 HydrophobicContact CB-CG 3.58Å; P196-R493 HydrophobicContact CG-CG 3.82Å; E199-R493 WeakPolarHBondContact OE1-CD 3.39Å; E199-R493 IonicContact OE1-NH1 3.73Å; E199-R493 PolarHBondContact OE1-NH1 3.25Å; I490-R493 WeakPolarHBondContact O-CB 3.13Å; I490-R493 PolarHBondContact O-N 3.15Å; I490-R493 VanDerWaalsContact O-N 3.12Å; A491-R493 PolarHBondContact O-N 3.08Å
494K88.9Confident89.3Confident61 Ų6121.3 Ų21.327%0.26510%0.099SC..SBendtrans-99.1135.8-173.8-72179.9170.1-179.70109.9L218 A491 R496L218-K494 HydrophobicContact CD2-CD 3.75Å; L218-K494 PolarHBondContact O-NZ 3.35Å; A491-K494 PolarHBondContact O-N 3Å; A491-K494 VanDerWaalsContact O-N 3.15Å; K494-R496 HydrophobicContact CB-CG 4.45Å; K494-R496 PolarHBondContact O-N 2.93Å
495K90.3Very high89.5Confident73 Ų7321.3 Ų21.332%0.31710%0.099SC..  trans-75.386.2178.2-63.5-179.6-166.9148.50111.2D201 Q413 C418D201-K495 VanDerWaalsContact OD2-CD 3.23Å; D201-K495 WeakPolarHBondContact OD2-CD 3.37Å; D201-K495 WeakPolarHBondContact OD2-CE 3.45Å; D201-K495 IonicContact OD2-NZ 3.97Å; D201-K495 PolarHBondContact OD2-NZ 2.96Å; Q413-K495 WeakPolarHBondContact O-CD 3.43Å; Q413-K495 PolarHBondContact O-NZ 3.2Å; C418-K495 VanDerWaalsContact SG-CA 3.59Å
496R92.4Very high89.7Confident6 Ų621 Ų212%0.02310%0.095CC..  trans-145166.9175.8-44.8-168.7-174.5167.1-5.4112.2T213 Y214 C216 K494 Y498 F520T213-R496 PolarHBondContact O-NE 3.45Å; T213-R496 PolarHBondContact O-NH2 3.12Å; Y214-R496 HydrophobicContact CD2-CB 4.2Å; Y214-R496 HydrophobicContact CD2-CG 3.7Å; Y214-R496 HydrophobicContact CE2-CB 3.72Å; Y214-R496 HydrophobicContact CE2-CG 3.76Å; Y214-R496 PolarHBondContact O-NE 3.36Å; Y214-R496 PolarHBondContact O-NH1 2.68Å; Y214-R496 PolarHBondContact O-NH2 3.28Å; C216-R496 PolarHBondContact O-NH1 3.41Å; C216-R496 PolarHBondContact O-NH2 2.95Å; C216-R496 PolarHBondContact SG-NH2 2.63Å; K494-R496 HydrophobicContact CB-CG 4.45Å; K494-R496 PolarHBondContact O-N 2.93Å; R496-Y498 HydrophobicContact CB-CE1 4.26Å; R496-Y498 HydrophobicContact CB-CE2 3.95Å; R496-Y498 WeakPolarHBondContact O-CD2 3.48Å; R496-Y498 WeakPolarHBondContact O-CE2 3.49Å; R496-F520 WeakPolarHBondContact O-CE1 3.12Å
497N94.7Very high89.8Confident14 Ų1420.9 Ų20.98%0.07510%0.102CC..EExtended strand (participates in β ladder)trans-87.9138.1169.8-46.2-58.1000110.4E419 K445 Y446 Y447E419-N497 HydrophobicContact CB-CB 4.39Å; E419-N497 PolarHBondContact N-OD1 3.38Å; E419-N497 CarbonylContact O-C 3.27Å; E419-N497 WeakPolarHBondContact O-CA 3.27Å; K445-N497 WeakPolarHBondContact O-CB 3.3Å; K445-N497 PolarHBondContact O-ND2 3.37Å; Y446-N497 HydrophobicContact CD1-CB 3.67Å; Y446-N497 HydrophobicContact CE1-CB 4.1Å; Y447-N497 PolarHBondContact N-O 3.11Å
498Y95.9Very high89.7Confident0 Ų024.6 Ų24.60%013%0.127CC..EExtended strand (participates in β ladder)trans-128.3143.2-174.2-65.1-71.1000111.8L218 E419 I420 I421 Y447 L449 A491 R496 F517 F520L218-Y498 HydrophobicContact CD1-CE1 4.11Å; L218-Y498 HydrophobicContact CD2-CE1 4.08Å; L218-Y498 WeakPolarHBondContact CD2-OH 3.22Å; E419-Y498 PolarHBondContact O-N 2.97Å; I420-Y498 WeakPolarHBondContact CA-O 3.46Å; I421-Y498 PolarHBondContact N-O 3.39Å; Y447-Y498 HydrophobicContact CD1-CD1 4.18Å; Y447-Y498 HydrophobicContact CD1-CE1 4.11Å; Y447-Y498 HydrophobicContact CG-CD1 4.39Å; Y447-Y498 HydrophobicContact CG-CE1 4.19Å; Y447-Y498 WeakPolarHBondContact O-CA 3.31Å; L449-Y498 HydrophobicContact CD1-CD1 3.96Å; L449-Y498 HydrophobicContact CD1-CG 4.24Å; L449-Y498 HydrophobicContact CD2-CD1 4.38Å; L449-Y498 HydrophobicContact CG-CD1 4.1Å; A491-Y498 HydrophobicContact CB-CD1 4.07Å; A491-Y498 HydrophobicContact CB-CD2 4.35Å; A491-Y498 HydrophobicContact CB-CE1 3.69Å; A491-Y498 HydrophobicContact CB-CE2 3.97Å; A491-Y498 HydrophobicContact CB-CG 4.4Å; A491-Y498 VanDerWaalsContact O-CE2 3.31Å; A491-Y498 WeakPolarHBondContact O-CE2 3.43Å; A491-Y498 PolarHBondContact O-OH 2.8Å; R496-Y498 HydrophobicContact CB-CE1 4.26Å; R496-Y498 HydrophobicContact CB-CE2 3.95Å; R496-Y498 WeakPolarHBondContact O-CD2 3.48Å; R496-Y498 WeakPolarHBondContact O-CE2 3.49Å; Y498-F517 AromaticContact CD2-CE1 3.96Å; Y498-F517 HydrophobicContact CD2-CE1 3.96Å; Y498-F517 HydrophobicContact CE2-CE1 4.32Å; Y498-F520 HydrophobicContact CD2-CE1 4Å; Y498-F520 AromaticContact CE2-CE1 3.99Å; Y498-F520 HydrophobicContact CE2-CE1 3.99Å; Y498-F520 HydrophobicContact CE2-CZ 4.41Å
499I96.6Very high89.4Confident0 Ų024.7 Ų24.70%013%0.129CC..EExtended strand (participates in β ladder)trans-117.1118.8163.6-62.8171.2000108.1I421 M423 V435 Q438 V439 Y446 Y447 L449 D501I421-I499 HydrophobicContact CB-CG1 4.2Å; I421-I499 HydrophobicContact CD1-CG1 4.35Å; I421-I499 CarbonylContact O-C 3.47Å; I421-I499 WeakPolarHBondContact O-CA 3.48Å; M423-I499 HydrophobicContact CG-CG2 4.2Å; M423-I499 HydrophobicContact SD-CG2 4.31Å; V435-I499 HydrophobicContact CB-CG2 4.36Å; V435-I499 HydrophobicContact CG1-CB 4.49Å; V435-I499 HydrophobicContact CG1-CD1 4.26Å; V435-I499 HydrophobicContact CG1-CG2 3.84Å; V435-I499 HydrophobicContact CG2-CG2 3.61Å; Q438-I499 HydrophobicContact CG-CD1 4.21Å; V439-I499 HydrophobicContact CG2-CD1 4.05Å; Y446-I499 HydrophobicContact CD1-CD1 4.1Å; Y446-I499 HydrophobicContact CD1-CG1 3.83Å; Y446-I499 HydrophobicContact CD2-CD1 3.7Å; Y446-I499 HydrophobicContact CD2-CG1 4.36Å; Y446-I499 HydrophobicContact CE1-CG1 4.48Å; Y446-I499 HydrophobicContact CE2-CD1 4.28Å; Y446-I499 HydrophobicContact CG-CD1 3.57Å; Y446-I499 HydrophobicContact CG-CG1 3.77Å; Y447-I499 PolarHBondContact O-N 3.32Å; Y447-I499 VanDerWaalsContact O-N 3.11Å; L449-I499 PolarHBondContact N-O 2.9Å; I499-D501 PolarHBondContact O-N 3.43Å
500L94.8Very high89.6Confident0 Ų020.7 Ų20.70%011%0.11CC..EExtended strand (participates in β ladder)trans-9292.2174.1178.765.9000109.7I421 V422 M423 L449 L484 I488 H502 K513I421-L500 PolarHBondContact O-N 3.08Å; V422-L500 HydrophobicContact CG1-CD2 4.35Å; V422-L500 HydrophobicContact CG2-CD2 4.45Å; M423-L500 WeakPolarHBondContact CB-O 3.33Å; M423-L500 WeakPolarHBondContact CG-O 3.5Å; M423-L500 PolarHBondContact N-O 3.48Å; M423-L500 VanDerWaalsContact N-O 3.08Å; L449-L500 HydrophobicContact CB-CD1 4Å; L484-L500 HydrophobicContact CD1-CD1 4.44Å; L484-L500 HydrophobicContact CD2-CD1 4.3Å; I488-L500 HydrophobicContact CD1-CD1 3.85Å; I488-L500 HydrophobicContact CD1-CD2 4.41Å; I488-L500 HydrophobicContact CG1-CD1 4.12Å; L500-H502 HydrophobicContact CD1-CB 4.28Å; L500-H502 HydrophobicContact CG-CB 4.26Å; L500-H502 PolarHBondContact O-N 3.25Å; L500-K513 HydrophobicContact CD2-CD 3.66Å
501D92.6Very high89.5Confident9 Ų922.4 Ų22.45%0.04812%0.116CC..EExtended strand (participates in β ladder)trans-83.791.1173.3-169.321.1000110M423 K431 T432 V435 L449 S450 I499M423-D501 HydrophobicContact CG-CB 4.38Å; K431-D501 WeakPolarHBondContact CB-OD1 3.28Å; T432-D501 VanDerWaalsContact CA-OD2 3.24Å; T432-D501 WeakPolarHBondContact CA-OD2 3.37Å; T432-D501 WeakPolarHBondContact CB-OD2 3.34Å; T432-D501 WeakPolarHBondContact CG2-OD2 3.2Å; T432-D501 PolarHBondContact OG1-OD2 3.28Å; V435-D501 HydrophobicContact CG2-CB 4.06Å; L449-D501 PolarHBondContact O-N 3.12Å; S450-D501 WeakPolarHBondContact CB-O 3.39Å; I499-D501 PolarHBondContact O-N 3.43Å
502H84.8Confident89.2Confident1 Ų126.6 Ų26.61%0.00513%0.132CC..SBendtrans-149.9163.3178.3-174.9-83.2000108.1E178 E181 E182 K431 L484 L500 N504 K513E178-H502 WeakPolarHBondContact CB-NE2 3.25Å; E178-H502 WeakPolarHBondContact CG-NE2 3.45Å; E178-H502 IonicContact OE2-CD2 3.59Å; E178-H502 IonicContact OE2-CE1 3.9Å; E178-H502 IonicContact OE2-CG 2.73Å; E178-H502 IonicContact OE2-ND1 2.85Å; E178-H502 IonicContact OE2-NE2 2.69Å; E181-H502 IonicContact OE2-NE2 3.68Å; E182-H502 IonicContact OE1-CE1 2.99Å; E182-H502 IonicContact OE1-ND1 3.71Å; K431-H502 WeakPolarHBondContact CD-O 3.44Å; K431-H502 VanDerWaalsContact CE-O 3.26Å; K431-H502 WeakPolarHBondContact CE-O 3.44Å; L484-H502 HydrophobicContact CD2-CB 4.31Å; L500-H502 HydrophobicContact CD1-CB 4.28Å; L500-H502 HydrophobicContact CG-CB 4.26Å; L500-H502 PolarHBondContact O-N 3.25Å; H502-N504 PolarHBondContact ND1-N 3.25Å; H502-N504 PolarHBondContact ND1-OD1 2.8Å; H502-N504 PolarHBondContact O-ND2 2.65Å; H502-N504 VanDerWaalsContact O-ND2 3.12Å; H502-K513 PolarHBondContact ND1-NZ 3.02Å
503T83Confident89.1Confident3 Ų327.4 Ų27.42%0.01814%0.136CC..  trans-63.6-45.6-178.342.60000114.7E178 G425 P427 L505E178-T503 VanDerWaalsContact OE2-CB 3.24Å; E178-T503 WeakPolarHBondContact OE2-CB 3.15Å; E178-T503 WeakPolarHBondContact OE2-CG2 3.46Å; E178-T503 PolarHBondContact OE2-N 3.13Å; E178-T503 VanDerWaalsContact OE2-N 3.07Å; E178-T503 PolarHBondContact OE2-OG1 3.02Å; G425-T503 PolarHBondContact N-O 3.41Å; G425-T503 VanDerWaalsContact N-O 3.13Å; P427-T503 HydrophobicContact CG-CG2 3.86Å; T503-L505 PolarHBondContact O-N 3.42Å
504N86.6Confident89.3Confident1 Ų123.5 Ų23.51%0.00512%0.121CC..  trans54.844.2170.4-59.8-53.4000113.8E182 V422 M423 V424 H502 Q510 K513E182-N504 WeakPolarHBondContact OE1-CA 3.41Å; E182-N504 PolarHBondContact OE1-N 3.48Å; V422-N504 HydrophobicContact CG1-CB 4Å; V422-N504 WeakPolarHBondContact CG1-ND2 3.42Å; M423-N504 WeakPolarHBondContact O-CB 3.39Å; M423-N504 PolarHBondContact O-ND2 3.43Å; V424-N504 HydrophobicContact CG2-CB 4.25Å; H502-N504 PolarHBondContact ND1-N 3.25Å; H502-N504 PolarHBondContact ND1-OD1 2.8Å; H502-N504 PolarHBondContact O-ND2 2.65Å; H502-N504 VanDerWaalsContact O-ND2 3.12Å; N504-Q510 HydrophobicContact CB-CG 4.49Å; N504-Q510 WeakPolarHBondContact O-CG 3.4Å; N504-Q510 PolarHBondContact O-NE2 3.31Å; N504-K513 PolarHBondContact OD1-NZ 3.06Å
505L88.4Confident89.4Confident1 Ų121.8 Ų21.81%0.00512%0.116CC..  trans-82-25.3-168.4-57.8173.9000113.4E182 L426 T503 M557 F560 Y561 A562E182-L505 PolarHBondContact OE1-N 3.32Å; E182-L505 PolarHBondContact OE2-N 3.3Å; L426-L505 HydrophobicContact CD2-CD1 3.89Å; L426-L505 HydrophobicContact CD2-CD2 4.17Å; T503-L505 PolarHBondContact O-N 3.42Å; L505-M557 HydrophobicContact CD1-CB 3.64Å; L505-M557 HydrophobicContact CD1-CG 3.75Å; L505-M557 HydrophobicContact CD1-SD 4.06Å; L505-F560 HydrophobicContact CB-CD2 4.46Å; L505-F560 HydrophobicContact CB-CE2 3.94Å; L505-Y561 HydrophobicContact CB-CD2 4.02Å; L505-Y561 HydrophobicContact CB-CG 4.31Å; L505-Y561 HydrophobicContact CD2-CD1 4.07Å; L505-Y561 HydrophobicContact CD2-CD2 3.64Å; L505-Y561 HydrophobicContact CD2-CE1 4.14Å; L505-Y561 HydrophobicContact CD2-CE2 3.76Å; L505-Y561 HydrophobicContact CD2-CG 3.85Å; L505-Y561 HydrophobicContact CG-CD2 4.43Å; L505-Y561 CarbonylContact O-C 3.54Å; L505-Y561 WeakPolarHBondContact O-CA 3.42Å; L505-A562 PolarHBondContact O-N 3.11Å
506S87.5Confident89.3Confident10 Ų1019 Ų197%0.0711%0.105CC..  trans-92.8126-176.654.30000113.1E182 G509 Q510E182-S506 PolarHBondContact OE2-N 3.35Å; E182-S506 VanDerWaalsContact OE2-N 3.07Å; E182-S506 PolarHBondContact OE2-OG 3.35Å; S506-G509 WeakPolarHBondContact O-CA 3.2Å; S506-G509 PolarHBondContact O-N 2.94Å; S506-Q510 WeakPolarHBondContact O-CG 3.04Å; S506-Q510 PolarHBondContact O-N 3.27Å
507A87.2Confident89.3Confident43 Ų4318.8 Ų18.836%0.35510%0.104SC..Hα-helixtrans-55.9-38.9176.500000114.4G509 Q510 K511 A562A507-G509 VanDerWaalsContact C-N 3.33Å; A507-G509 PolarHBondContact O-N 3.47Å; A507-Q510 PolarHBondContact O-N 3.15Å; A507-K511 WeakPolarHBondContact O-CB 3.36Å; A507-K511 PolarHBondContact O-N 3.26Å; A507-A562 HydrophobicContact CB-CB 3.77Å
508P85.1Confident89Confident84 Ų8419.7 Ų19.755%0.54511%0.114SC..Hα-helixtrans-62.4-36.9170.8-24.235.2000113.4R512P508-R512 VanDerWaalsContact O-CB 3.25Å; P508-R512 WeakPolarHBondContact O-CB 3.5Å; P508-R512 PolarHBondContact O-N 2.92Å
509G84.9Confident88.7Confident6 Ų622 Ų226%0.06214%0.137CC..Hα-helixtrans-66.7-48.7176.100000111.9S506 A507 R512 K513S506-G509 WeakPolarHBondContact O-CA 3.2Å; S506-G509 PolarHBondContact O-N 2.94Å; A507-G509 VanDerWaalsContact C-N 3.33Å; A507-G509 PolarHBondContact O-N 3.47Å; G509-R512 PolarHBondContact O-N 3.08Å; G509-K513 WeakPolarHBondContact O-CG 3.41Å; G509-K513 PolarHBondContact O-N 2.93Å
510Q89.6Confident88.6Confident8 Ų822.4 Ų22.44%0.03714%0.139CC..Hα-helixtrans-52.6-56.4172.7-68.2166.49.800110.8N504 S506 A507 R512 K513 M514 A562 F570N504-Q510 HydrophobicContact CB-CG 4.49Å; N504-Q510 WeakPolarHBondContact O-CG 3.4Å; N504-Q510 PolarHBondContact O-NE2 3.31Å; S506-Q510 WeakPolarHBondContact O-CG 3.04Å; S506-Q510 PolarHBondContact O-N 3.27Å; A507-Q510 PolarHBondContact O-N 3.15Å; Q510-R512 PolarHBondContact O-N 3.36Å; Q510-K513 PolarHBondContact O-N 2.88Å; Q510-M514 WeakPolarHBondContact O-CB 3.06Å; Q510-M514 WeakPolarHBondContact O-CG 3.24Å; Q510-M514 PolarHBondContact O-N 3.11Å; Q510-A562 PolarHBondContact NE2-O 2.98Å; Q510-F570 HydrophobicContact CB-CE2 4.11Å; Q510-F570 HydrophobicContact CB-CZ 4.02Å; Q510-F570 HydrophobicContact CG-CZ 4.37Å
511K87.8Confident88.6Confident67 Ų6726.1 Ų26.129%0.29116%0.156SC..Hα-helixtrans-58.7-44.6179.8-178.4165-178.2168.40112.1A507 K513 M514 C515 E568A507-K511 WeakPolarHBondContact O-CB 3.36Å; A507-K511 PolarHBondContact O-N 3.26Å; K511-K513 PolarHBondContact O-N 2.91Å; K511-M514 CarbonylContact O-C 3.6Å; K511-M514 PolarHBondContact O-N 3.5Å; K511-C515 PolarHBondContact O-N 3.04Å; K511-C515 PolarHBondContact O-SG 3.21Å; K511-E568 VanDerWaalsContact CE-OE1 3.28Å; K511-E568 WeakPolarHBondContact CE-OE1 3.34Å; K511-E568 IonicContact NZ-OE1 2.76Å; K511-E568 PolarHBondContact NZ-OE1 2.89Å; K511-E568 IonicContact NZ-OE2 3.3Å; K511-E568 PolarHBondContact NZ-OE2 2.85Å
512R84.8Confident88.7Confident88 Ų8827.6 Ų27.633%0.33216%0.161SC..Hα-helixtrans-60.1-45.7179176.7175.5171.7159-3.7112.3P193 P508 G509 Q510 C515P193-R512 HydrophobicContact CG-CG 4.25Å; P508-R512 VanDerWaalsContact O-CB 3.25Å; P508-R512 WeakPolarHBondContact O-CB 3.5Å; P508-R512 PolarHBondContact O-N 2.92Å; G509-R512 PolarHBondContact O-N 3.08Å; Q510-R512 PolarHBondContact O-N 3.36Å; R512-C515 PolarHBondContact O-N 2.77Å
513K88.4Confident89.3Confident18 Ų1829.5 Ų29.58%0.07817%0.169CC..Hα-helixtrans-64.8-44.1176.7-65.9-177.1-173.8-176.40110.3I488 L500 H502 N504 G509 Q510 K511 C515 L516 F517I488-K513 HydrophobicContact CD1-CD 4.16Å; L500-K513 HydrophobicContact CD2-CD 3.66Å; H502-K513 PolarHBondContact ND1-NZ 3.02Å; N504-K513 PolarHBondContact OD1-NZ 3.06Å; G509-K513 WeakPolarHBondContact O-CG 3.41Å; G509-K513 PolarHBondContact O-N 2.93Å; Q510-K513 PolarHBondContact O-N 2.88Å; K511-K513 PolarHBondContact O-N 2.91Å; K513-C515 VanDerWaalsContact C-N 3.3Å; K513-C515 PolarHBondContact O-N 2.96Å; K513-L516 WeakPolarHBondContact O-CB 3.25Å; K513-L516 PolarHBondContact O-N 3.29Å; K513-L516 VanDerWaalsContact O-N 3.15Å; K513-F517 WeakPolarHBondContact O-CD2 3.48Å
514M91.9Very high89.9Confident1 Ų129.3 Ų29.31%0.00517%0.168CC..Hα-helixtrans-71.3-14.6179.5-67.7-54.590.700115.7I420 V422 Q510 K511 F517 R522 S569 F570I420-M514 HydrophobicContact CD1-CE 3.95Å; I420-M514 HydrophobicContact CG1-CE 4.47Å; I420-M514 HydrophobicContact CG2-SD 4.39Å; V422-M514 HydrophobicContact CG2-CE 3.27Å; V422-M514 HydrophobicContact CG2-SD 3.61Å; Q510-M514 WeakPolarHBondContact O-CB 3.06Å; Q510-M514 WeakPolarHBondContact O-CG 3.24Å; Q510-M514 PolarHBondContact O-N 3.11Å; K511-M514 CarbonylContact O-C 3.6Å; K511-M514 PolarHBondContact O-N 3.5Å; M514-F517 HydrophobicContact CE-CD2 4.01Å; M514-R522 VanDerWaalsContact O-CD 3.29Å; M514-R522 WeakPolarHBondContact O-CD 3.42Å; M514-R522 PolarHBondContact O-NH1 3.41Å; M514-R522 HydrophobicContact SD-CB 3.83Å; M514-R522 HydrophobicContact SD-CG 3.89Å; M514-S569 WeakPolarHBondContact CB-O 3.22Å; M514-F570 HydrophobicContact CG-CD1 4.06Å; M514-F570 HydrophobicContact CG-CE1 3.45Å; M514-F570 VanDerWaalsContact CG-CE1 3.45Å; M514-F570 HydrophobicContact CG-CZ 3.76Å; M514-F570 HydrophobicContact SD-CD1 4.15Å; M514-F570 HydrophobicContact SD-CE1 3.67Å
515C89.4Confident90.4Very high25 Ų2529.5 Ų29.517%0.16917%0.169CC..Hα-helixtrans-71.6-28.8168.3-73.30000113K511 R512 K513K511-C515 PolarHBondContact O-N 3.04Å; K511-C515 PolarHBondContact O-SG 3.21Å; R512-C515 PolarHBondContact O-N 2.77Å; K513-C515 VanDerWaalsContact C-N 3.3Å; K513-C515 PolarHBondContact O-N 2.96Å
516L88.8Confident90.8Very high15 Ų1529.5 Ų29.58%0.07917%0.169CC..Hα-helixtrans-70.4-42.2-179.7-66.1171.6000111.3P193 I488 E489 A492 K513 A518P193-L516 HydrophobicContact CB-CD2 3.74Å; P193-L516 HydrophobicContact CG-CD2 3.67Å; P193-L516 HydrophobicContact CG-CG 4.02Å; I488-L516 HydrophobicContact CG2-CD1 3.77Å; E489-L516 HydrophobicContact CG-CD1 4.19Å; A492-L516 HydrophobicContact CB-CB 3.8Å; K513-L516 WeakPolarHBondContact O-CB 3.25Å; K513-L516 PolarHBondContact O-N 3.29Å; K513-L516 VanDerWaalsContact O-N 3.15Å; L516-A518 PolarHBondContact O-N 2.89Å
517F92.3Very high91.1Very high0 Ų029 Ų290%017%0.166CC..THydrogen-bonded Turntrans-81.636.6177.7-59.2-88.3000112.8I420 I488 A491 A492 Y498 K513 M514 G519 F520 R522I420-F517 HydrophobicContact CB-CD1 4.49Å; I420-F517 HydrophobicContact CD1-CD1 3.81Å; I420-F517 HydrophobicContact CD1-CD2 3.51Å; I420-F517 HydrophobicContact CD1-CE1 3.65Å; I420-F517 HydrophobicContact CD1-CE2 3.33Å; I420-F517 HydrophobicContact CD1-CG 3.75Å; I420-F517 HydrophobicContact CD1-CZ 3.42Å; I420-F517 VanDerWaalsContact CD1-CZ 3.42Å; I420-F517 HydrophobicContact CG2-CB 3.97Å; I420-F517 HydrophobicContact CG2-CD1 4.38Å; I420-F517 HydrophobicContact CG2-CG 4.07Å; I488-F517 HydrophobicContact CG2-CE2 3.8Å; I488-F517 HydrophobicContact CG2-CZ 4.14Å; A491-F517 HydrophobicContact CB-CE1 4.03Å; A491-F517 HydrophobicContact CB-CZ 4Å; A492-F517 HydrophobicContact CB-CD1 4.08Å; A492-F517 HydrophobicContact CB-CE1 3.92Å; A492-F517 HydrophobicContact CB-CE2 4.42Å; A492-F517 HydrophobicContact CB-CG 4.39Å; A492-F517 HydrophobicContact CB-CZ 4.09Å; Y498-F517 AromaticContact CD2-CE1 3.96Å; Y498-F517 HydrophobicContact CD2-CE1 3.96Å; Y498-F517 HydrophobicContact CE2-CE1 4.32Å; K513-F517 WeakPolarHBondContact O-CD2 3.48Å; M514-F517 HydrophobicContact CE-CD2 4.01Å; F517-G519 PolarHBondContact O-N 3.28Å; F517-F520 HydrophobicContact CB-CB 4.04Å; F517-F520 HydrophobicContact CB-CD2 3.82Å; F517-F520 HydrophobicContact CB-CE2 4.43Å; F517-F520 HydrophobicContact CB-CG 3.92Å; F517-F520 AromaticContact CD1-CD1 4Å; F517-F520 HydrophobicContact CD1-CD1 4Å; F517-F520 HydrophobicContact CD1-CD2 4.08Å; F517-F520 AromaticContact CD1-CE1 3.9Å; F517-F520 HydrophobicContact CD1-CE1 3.9Å; F517-F520 AromaticContact CD1-CE2 3.96Å; F517-F520 HydrophobicContact CD1-CE2 3.96Å; F517-F520 HydrophobicContact CD1-CG 4.11Å; F517-F520 AromaticContact CD1-CZ 3.89Å; F517-F520 HydrophobicContact CD1-CZ 3.89Å; F517-F520 HydrophobicContact CE1-CE1 4.49Å; F517-F520 HydrophobicContact CG-CD2 4.46Å; F517-F520 WeakPolarHBondContact O-CB 3.07Å; F517-F520 PolarHBondContact O-N 3.19Å; F517-F520 VanDerWaalsContact O-N 3.07Å; F517-R522 HydrophobicContact CB-CG 4.38Å
518A89.1Confident91.4Very high34 Ų3427.3 Ų27.328%0.28115%0.151SC..THydrogen-bonded Turntrans-61.4121.517400000110P195 K415 L516P195-A518 HydrophobicContact CB-CB 4.07Å; P195-A518 HydrophobicContact CG-CB 3.69Å; K415-A518 WeakPolarHBondContact CE-O 3.27Å; K415-A518 PolarHBondContact NZ-O 3.13Å; L516-A518 PolarHBondContact O-N 2.89Å
519G88.6Confident91.8Very high47 Ų4723.5 Ų23.549%0.48513%0.126SC..THydrogen-bonded Turntrans103.6-15.4-17500000114.8K415 A416 F517K415-G519 CarbonylContact C-O 3.6Å; A416-G519 VanDerWaalsContact CA-O 3.3Å; A416-G519 WeakPolarHBondContact CA-O 3.26Å; A416-G519 PolarHBondContact N-O 3.46Å; F517-G519 PolarHBondContact O-N 3.28Å
520F94.7Very high92.2Very high9 Ų925.5 Ų25.54%0.03914%0.137CC..SBendtrans-81.8160.4173.5-70.1-119.9000111.4K415 C418 I420 R496 Y498 F517 R522K415-F520 HydrophobicContact CD-CD2 4.31Å; K415-F520 HydrophobicContact CD-CE2 4.16Å; K415-F520 HydrophobicContact CG-CD2 3.71Å; K415-F520 HydrophobicContact CG-CE2 3.64Å; K415-F520 HydrophobicContact CG-CZ 4.41Å; K415-F520 WeakPolarHBondContact O-CA 3.21Å; C418-F520 HydrophobicContact CB-CD1 3.25Å; C418-F520 HydrophobicContact CB-CE1 3.41Å; C418-F520 VanDerWaalsContact CB-CE1 3.41Å; C418-F520 HydrophobicContact CB-CG 3.97Å; C418-F520 HydrophobicContact CB-CZ 4.24Å; C418-F520 WeakPolarHBondContact O-CA 3.22Å; I420-F520 HydrophobicContact CG2-CB 4.15Å; R496-F520 WeakPolarHBondContact O-CE1 3.12Å; Y498-F520 HydrophobicContact CD2-CE1 4Å; Y498-F520 AromaticContact CE2-CE1 3.99Å; Y498-F520 HydrophobicContact CE2-CE1 3.99Å; Y498-F520 HydrophobicContact CE2-CZ 4.41Å; F517-F520 HydrophobicContact CB-CB 4.04Å; F517-F520 HydrophobicContact CB-CD2 3.82Å; F517-F520 HydrophobicContact CB-CE2 4.43Å; F517-F520 HydrophobicContact CB-CG 3.92Å; F517-F520 AromaticContact CD1-CD1 4Å; F517-F520 HydrophobicContact CD1-CD1 4Å; F517-F520 HydrophobicContact CD1-CD2 4.08Å; F517-F520 AromaticContact CD1-CE1 3.9Å; F517-F520 HydrophobicContact CD1-CE1 3.9Å; F517-F520 AromaticContact CD1-CE2 3.96Å; F517-F520 HydrophobicContact CD1-CE2 3.96Å; F517-F520 HydrophobicContact CD1-CG 4.11Å; F517-F520 AromaticContact CD1-CZ 3.89Å; F517-F520 HydrophobicContact CD1-CZ 3.89Å; F517-F520 HydrophobicContact CE1-CE1 4.49Å; F517-F520 HydrophobicContact CG-CD2 4.46Å; F517-F520 WeakPolarHBondContact O-CB 3.07Å; F517-F520 PolarHBondContact O-N 3.19Å; F517-F520 VanDerWaalsContact O-N 3.07Å; F520-R522 HydrophobicContact CB-CG 4.41Å; F520-R522 PolarHBondContact O-N 2.98Å
521Q95Very high92.2Very high79 Ų7926.7 Ų26.737%0.36914%0.143SC..EExtended strand (participates in β ladder)trans-75107.2162.9-54.4-177.118.900108.7A416 C418 I420A416-Q521 VanDerWaalsContact O-CG 3.3Å; A416-Q521 WeakPolarHBondContact O-CG 3.5Å; A416-Q521 PolarHBondContact O-NE2 2.97Å; C418-Q521 PolarHBondContact O-N 3.21Å; I420-Q521 PolarHBondContact N-O 2.91Å
522R95.9Very high92.3Very high39 Ų3930.7 Ų30.715%0.14716%0.163CC..EExtended strand (participates in β ladder)trans-100.1110.8-173.5-65.7168.7-61.9154.517.2109.9I420 M514 F517 F520 E568 S569 F570 N571I420-R522 HydrophobicContact CG2-CB 4.25Å; I420-R522 HydrophobicContact CG2-CG 3.73Å; M514-R522 VanDerWaalsContact O-CD 3.29Å; M514-R522 WeakPolarHBondContact O-CD 3.42Å; M514-R522 PolarHBondContact O-NH1 3.41Å; M514-R522 HydrophobicContact SD-CB 3.83Å; M514-R522 HydrophobicContact SD-CG 3.89Å; F517-R522 HydrophobicContact CB-CG 4.38Å; F520-R522 HydrophobicContact CB-CG 4.41Å; F520-R522 PolarHBondContact O-N 2.98Å; R522-E568 PolarHBondContact NH1-O 3.12Å; R522-E568 VanDerWaalsContact NH1-O 3.1Å; R522-E568 PolarHBondContact NH2-O 3.21Å; R522-S569 WeakPolarHBondContact CB-O 3.28Å; R522-S569 VanDerWaalsContact CZ-O 3.31Å; R522-S569 PolarHBondContact NE-O 3.07Å; R522-S569 PolarHBondContact NH1-O 3.15Å; R522-F570 CarbonylContact O-C 3.59Å; R522-F570 WeakPolarHBondContact O-CA 3.18Å; R522-N571 PolarHBondContact N-OD1 3.02Å; R522-N571 PolarHBondContact O-N 2.9Å
523K96.3Very high92.6Very high41 Ų4130 Ų3018%0.17816%0.164CC..EExtended strand (participates in β ladder)trans-113.9147-178.7-54.5-168.9179.6-179.90110.9E419 I420 V422 E572E419-K523 HydrophobicContact CG-CD 4.34Å; E419-K523 VanDerWaalsContact OE1-CD 3.25Å; E419-K523 WeakPolarHBondContact OE1-CD 3.43Å; E419-K523 WeakPolarHBondContact OE1-CE 3.15Å; E419-K523 IonicContact OE1-NZ 3.77Å; E419-K523 PolarHBondContact OE1-NZ 3.42Å; I420-K523 PolarHBondContact O-N 3.02Å; V422-K523 PolarHBondContact N-O 3.25Å; K523-E572 WeakPolarHBondContact CA-O 3.49Å; K523-E572 HydrophobicContact CD-CB 4.39Å; K523-E572 VanDerWaalsContact CD-OE2 3.24Å; K523-E572 WeakPolarHBondContact CD-OE2 2.95Å; K523-E572 WeakPolarHBondContact CE-OE2 3.22Å; K523-E572 HydrophobicContact CG-CB 4.13Å; K523-E572 IonicContact NZ-OE2 2.78Å; K523-E572 PolarHBondContact NZ-OE2 2.87Å; K523-E572 VanDerWaalsContact NZ-OE2 3.11Å
524A96.5Very high92.7Very high0 Ų030 Ų300%016%0.163CC..EExtended strand (participates in β ladder)trans-115.1135.6168.800000110.3V422 P564 F570 E572 V573 T574V422-A524 WeakPolarHBondContact O-CA 3.43Å; A524-P564 HydrophobicContact CB-CB 3.78Å; A524-P564 HydrophobicContact CB-CG 3.68Å; A524-F570 HydrophobicContact CB-CD1 3.76Å; A524-F570 HydrophobicContact CB-CD2 4.31Å; A524-F570 HydrophobicContact CB-CE1 3.77Å; A524-F570 HydrophobicContact CB-CE2 4.33Å; A524-F570 HydrophobicContact CB-CG 4.03Å; A524-F570 HydrophobicContact CB-CZ 4.06Å; A524-E572 PolarHBondContact N-O 3.11Å; A524-V573 HydrophobicContact CB-CG1 4.45Å; A524-V573 HydrophobicContact CB-CG2 4.23Å; A524-V573 WeakPolarHBondContact O-CA 3.27Å; A524-T574 PolarHBondContact O-N 3.24Å
525V96.8Very high92.6Very high4 Ų436 Ų362%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-115.2113.3171.91750000108.5I421 V422 M423 V424 W434 V527 T574 A576I421-V525 HydrophobicContact CG2-CB 4.26Å; I421-V525 HydrophobicContact CG2-CG2 3.6Å; V422-V525 PolarHBondContact O-N 3.22Å; M423-V525 HydrophobicContact CE-CB 4.04Å; M423-V525 HydrophobicContact CE-CG1 3.79Å; M423-V525 HydrophobicContact SD-CB 4.06Å; M423-V525 HydrophobicContact SD-CG1 4.41Å; V424-V525 PolarHBondContact N-O 2.97Å; W434-V525 HydrophobicContact CD2-CG1 3.98Å; W434-V525 HydrophobicContact CE3-CG1 4.36Å; W434-V525 HydrophobicContact CH2-CB 4.41Å; W434-V525 HydrophobicContact CH2-CG1 4.29Å; W434-V525 HydrophobicContact CH2-CG2 3.75Å; W434-V525 HydrophobicContact CZ2-CB 4.43Å; W434-V525 HydrophobicContact CZ2-CG1 3.89Å; W434-V525 HydrophobicContact CZ2-CG2 3.86Å; W434-V525 HydrophobicContact CZ3-CG2 4.32Å; V525-V527 HydrophobicContact CG1-CG2 4.29Å; V525-T574 WeakPolarHBondContact CA-O 3.48Å; V525-A576 HydrophobicContact CG1-CB 4.16Å
526V96.1Very high92.5Very high1 Ų140.7 Ų40.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-89.4113.9179.5-176.30000109.1V424 F528 L563 P564 V573 T574 Y575 A576V424-V526 HydrophobicContact CB-CG2 4.5Å; V424-V526 WeakPolarHBondContact O-CA 3.38Å; V526-F528 HydrophobicContact CG1-CB 4.06Å; V526-F528 HydrophobicContact CG1-CD2 4.49Å; V526-L563 HydrophobicContact CG1-CD2 3.92Å; V526-P564 HydrophobicContact CG2-CG 3.46Å; V526-P564 VanDerWaalsContact CG2-CG 3.46Å; V526-V573 HydrophobicContact CG2-CG1 4.11Å; V526-T574 PolarHBondContact N-O 3.21Å; V526-Y575 HydrophobicContact CB-CD1 3.86Å; V526-Y575 HydrophobicContact CB-CE1 3.99Å; V526-Y575 HydrophobicContact CB-CG 4.26Å; V526-Y575 HydrophobicContact CG1-CD1 3.9Å; V526-Y575 HydrophobicContact CG1-CE1 3.85Å; V526-Y575 HydrophobicContact CG2-CD1 4.34Å; V526-Y575 HydrophobicContact CG2-CE1 4.05Å; V526-Y575 HydrophobicContact CG2-CE2 4.44Å; V526-A576 PolarHBondContact O-N 3.01Å
527V95Very high92.6Very high1 Ų143.5 Ų43.51%0.00622%0.22CC..  trans-102.197.7172.7-177.50000107.9M423 V424 K431 W434 V525 A576 E577M423-V527 HydrophobicContact CE-CG2 3.65Å; V424-V527 PolarHBondContact O-N 3.47Å; K431-V527 HydrophobicContact CG-CB 4.11Å; K431-V527 HydrophobicContact CG-CG2 4.32Å; W434-V527 HydrophobicContact CB-CG2 4.29Å; W434-V527 HydrophobicContact CG-CG2 4.48Å; V525-V527 HydrophobicContact CG1-CG2 4.29Å; V527-A576 HydrophobicContact CG2-CB 4.23Å; V527-E577 WeakPolarHBondContact CG1-OE1 3.49Å
528F93.6Very high92.3Very high7 Ų744.9 Ų44.93%0.03123%0.228CC..  trans-131.190.9-177.1-149.8-50.7000108.2V526 Y561 L563 L578 A583 L586 L587 Y590V526-F528 HydrophobicContact CG1-CB 4.06Å; V526-F528 HydrophobicContact CG1-CD2 4.49Å; F528-Y561 AromaticContact CD2-CE1 3.76Å; F528-Y561 HydrophobicContact CD2-CE1 3.76Å; F528-Y561 AromaticContact CD2-CZ 3.91Å; F528-Y561 WeakPolarHBondContact CD2-OH 3.33Å; F528-Y561 HydrophobicContact CE2-CD1 4.15Å; F528-Y561 AromaticContact CE2-CE1 3.36Å; F528-Y561 HydrophobicContact CE2-CE1 3.36Å; F528-Y561 AromaticContact CE2-CZ 3.9Å; F528-Y561 HydrophobicContact CZ-CE1 4.21Å; F528-L563 HydrophobicContact CD2-CD2 4.07Å; F528-L563 HydrophobicContact CE2-CD2 4.34Å; F528-L578 HydrophobicContact CD1-CD1 4.08Å; F528-L578 VanDerWaalsContact O-CB 3.24Å; F528-L578 WeakPolarHBondContact O-CB 3.48Å; F528-L578 WeakPolarHBondContact O-CG 3.29Å; F528-L578 PolarHBondContact O-N 3.48Å; F528-A583 HydrophobicContact CB-CB 4.3Å; F528-A583 HydrophobicContact CD2-CB 4.12Å; F528-A583 HydrophobicContact CG-CB 4.1Å; F528-L586 HydrophobicContact CD1-CD2 4.35Å; F528-L586 HydrophobicContact CE1-CB 4.28Å; F528-L586 HydrophobicContact CE1-CD2 3.7Å; F528-L586 HydrophobicContact CE1-CG 3.89Å; F528-L586 HydrophobicContact CZ-CG 4.39Å; F528-L587 HydrophobicContact CE2-CB 4.16Å; F528-L587 HydrophobicContact CZ-CB 4.21Å; F528-Y590 HydrophobicContact CE1-CD2 4.49Å; F528-Y590 AromaticContact CE1-CE2 3.86Å; F528-Y590 HydrophobicContact CE1-CE2 3.86Å; F528-Y590 AromaticContact CZ-CD2 3.99Å; F528-Y590 HydrophobicContact CZ-CD2 3.99Å; F528-Y590 AromaticContact CZ-CE2 3.81Å; F528-Y590 HydrophobicContact CZ-CE2 3.81Å
529P92.8Very high92.1Very high3 Ų348.4 Ų48.42%0.01924%0.239CC..  trans-68.9168.3171.125.3-33.2000112.2E533 Y534 E577 L578P529-E533 HydrophobicContact CB-CB 3.94Å; P529-Y534 HydrophobicContact CG-CD2 4.18Å; P529-E577 WeakPolarHBondContact CA-OE2 3.26Å; P529-E577 WeakPolarHBondContact CB-OE2 3.43Å; P529-L578 WeakPolarHBondContact O-CD1 3.39Å
530T92.3Very high92Very high48 Ų4853.4 Ų53.429%0.29425%0.248SC..  trans-58.3156.816459.70000111.1E532 E533 Y534 L578T530-E532 VanDerWaalsContact C-N 3.26Å; T530-E532 PolarHBondContact O-N 3.16Å; T530-E533 PolarHBondContact O-N 2.99Å; T530-E533 WeakPolarHBondContact OG1-CB 3.23Å; T530-E533 VanDerWaalsContact OG1-CG 3.28Å; T530-E533 WeakPolarHBondContact OG1-CG 3.41Å; T530-E533 PolarHBondContact OG1-N 3.44Å; T530-E533 PolarHBondContact OG1-OE1 2.75Å; T530-E533 VanDerWaalsContact OG1-OE1 3.11Å; T530-Y534 WeakPolarHBondContact O-CB 3.41Å; T530-Y534 PolarHBondContact O-N 3.44Å; T530-L578 HydrophobicContact CG2-CD2 4.08Å; T530-L578 HydrophobicContact CG2-CG 4.46Å
531D89.7Confident91.4Very high33 Ų3356.9 Ų56.918%0.17626%0.262CS..Hα-helixtrans-62.8-33.4-178.7-172.769.5000112.7K535 L586 Y590D531-K535 WeakPolarHBondContact O-CD 3.5Å; D531-K535 VanDerWaalsContact O-CG 3.31Å; D531-K535 WeakPolarHBondContact O-CG 3.16Å; D531-K535 PolarHBondContact O-N 2.96Å; D531-K535 WeakPolarHBondContact OD2-CE 3.37Å; D531-K535 IonicContact OD2-NZ 2.64Å; D531-K535 PolarHBondContact OD2-NZ 3.37Å; D531-L586 HydrophobicContact CB-CD1 4.33Å; D531-L586 HydrophobicContact CB-CD2 4.4Å; D531-Y590 VanDerWaalsContact OD1-CE1 3.28Å; D531-Y590 WeakPolarHBondContact OD1-CE1 3.16Å; D531-Y590 PolarHBondContact OD1-OH 3.03Å
532E90.3Very high90.8Very high152 Ų15255 Ų5571%0.7126%0.256SS*.Hα-helixtrans-66.2-50.4174.9-63.9177.9-17600111.3T530 Y534 K535 M536T530-E532 VanDerWaalsContact C-N 3.26Å; T530-E532 PolarHBondContact O-N 3.16Å; E532-Y534 VanDerWaalsContact C-N 3.33Å; E532-Y534 PolarHBondContact O-N 2.82Å; E532-K535 PolarHBondContact O-N 3.5Å; E532-M536 WeakPolarHBondContact O-CG 3.43Å; E532-M536 PolarHBondContact O-N 3.24Å
533E91.1Very high90.1Very high72 Ų7259.4 Ų59.434%0.33628%0.279SS..Hα-helixtrans-64.1-37174.9-74.7177.3-116.900112.6P529 T530 M536 R537P529-E533 HydrophobicContact CB-CB 3.94Å; T530-E533 PolarHBondContact O-N 2.99Å; T530-E533 WeakPolarHBondContact OG1-CB 3.23Å; T530-E533 VanDerWaalsContact OG1-CG 3.28Å; T530-E533 WeakPolarHBondContact OG1-CG 3.41Å; T530-E533 PolarHBondContact OG1-N 3.44Å; T530-E533 PolarHBondContact OG1-OE1 2.75Å; T530-E533 VanDerWaalsContact OG1-OE1 3.11Å; E533-M536 HydrophobicContact CB-CE 4.45Å; E533-M536 HydrophobicContact CG-CE 4Å; E533-M536 PolarHBondContact O-N 3.24Å; E533-R537 WeakPolarHBondContact O-CB 3.43Å; E533-R537 WeakPolarHBondContact O-CG 3.29Å; E533-R537 PolarHBondContact O-N 3.24Å; E533-R537 IonicContact OE2-CZ 2.66Å; E533-R537 IonicContact OE2-NE 2.68Å; E533-R537 IonicContact OE2-NH2 2.98Å; E533-R537 PolarHBondContact OE2-NH2 3.1Å
534Y90.8Very high89Confident19 Ų1961.5 Ų61.58%0.07530%0.298CS..Hα-helixtrans-58.1-49.3175.2-178.9-112.7000110.8L426 P427 P529 T530 E532 R537 V538L426-Y534 HydrophobicContact CB-CE2 3.81Å; L426-Y534 HydrophobicContact CD1-CE1 4.21Å; L426-Y534 HydrophobicContact CD1-CE2 4.27Å; P427-Y534 VanDerWaalsContact O-CE2 3.25Å; P427-Y534 WeakPolarHBondContact O-CE2 3.42Å; P427-Y534 PolarHBondContact O-OH 3.18Å; P529-Y534 HydrophobicContact CG-CD2 4.18Å; T530-Y534 WeakPolarHBondContact O-CB 3.41Å; T530-Y534 PolarHBondContact O-N 3.44Å; E532-Y534 VanDerWaalsContact C-N 3.33Å; E532-Y534 PolarHBondContact O-N 2.82Å; Y534-R537 PolarHBondContact O-N 2.95Å; Y534-V538 HydrophobicContact CD1-CG2 4.4Å; Y534-V538 HydrophobicContact CD2-CG2 4.19Å; Y534-V538 HydrophobicContact CE1-CG2 3.95Å; Y534-V538 HydrophobicContact CE2-CG2 3.7Å; Y534-V538 WeakPolarHBondContact O-CB 3.39Å; Y534-V538 VanDerWaalsContact O-CG2 3.31Å; Y534-V538 WeakPolarHBondContact O-CG2 3.4Å; Y534-V538 PolarHBondContact O-N 3.04Å
535K89.1Confident87.7Confident126 Ų12665 Ų6555%0.54832%0.317SS..Hα-helixtrans-59.4-47176.5-75.3164174.5164.20111.7D531 E532 R537 V538 Q539D531-K535 WeakPolarHBondContact O-CD 3.5Å; D531-K535 VanDerWaalsContact O-CG 3.31Å; D531-K535 WeakPolarHBondContact O-CG 3.16Å; D531-K535 PolarHBondContact O-N 2.96Å; D531-K535 WeakPolarHBondContact OD2-CE 3.37Å; D531-K535 IonicContact OD2-NZ 2.64Å; D531-K535 PolarHBondContact OD2-NZ 3.37Å; E532-K535 PolarHBondContact O-N 3.5Å; K535-R537 PolarHBondContact O-N 2.93Å; K535-V538 PolarHBondContact O-N 2.9Å; K535-Q539 WeakPolarHBondContact O-CB 3.09Å; K535-Q539 PolarHBondContact O-N 3.18Å
536M89.1Confident86.1Confident124 Ų12468 Ų6861%0.61135%0.348SS*.Hα-helixtrans-60.4-43.1176.5-69.6-169.7-68.300112.8E532 E533 K540E532-M536 WeakPolarHBondContact O-CG 3.43Å; E532-M536 PolarHBondContact O-N 3.24Å; E533-M536 HydrophobicContact CB-CE 4.45Å; E533-M536 HydrophobicContact CG-CE 4Å; E533-M536 PolarHBondContact O-N 3.24Å; M536-K540 WeakPolarHBondContact O-CB 3.47Å; M536-K540 PolarHBondContact O-N 3.48Å
537R89.6Confident84.8Confident74 Ų7473.5 Ų73.528%0.27937%0.372SS..Hα-helixtrans-68.7-37.8179-68.7171.1-164.8-163.88.4112.3G428 S429 E533 Y534 K535 K541 E577G428-R537 WeakPolarHBondContact O-CB 3.28Å; S429-R537 PolarHBondContact O-NH1 3.24Å; E533-R537 WeakPolarHBondContact O-CB 3.43Å; E533-R537 WeakPolarHBondContact O-CG 3.29Å; E533-R537 PolarHBondContact O-N 3.24Å; E533-R537 IonicContact OE2-CZ 2.66Å; E533-R537 IonicContact OE2-NE 2.68Å; E533-R537 IonicContact OE2-NH2 2.98Å; E533-R537 PolarHBondContact OE2-NH2 3.1Å; Y534-R537 PolarHBondContact O-N 2.95Å; K535-R537 PolarHBondContact O-N 2.93Å; R537-K541 VanDerWaalsContact O-CB 3.3Å; R537-K541 WeakPolarHBondContact O-CB 3.5Å; R537-K541 PolarHBondContact O-N 3.01Å; R537-K541 VanDerWaalsContact O-N 3.08Å; R537-E577 IonicContact CZ-OE1 3.7Å; R537-E577 IonicContact CZ-OE2 3.88Å; R537-E577 VanDerWaalsContact NH1-CD 3.26Å; R537-E577 IonicContact NH1-OE1 3.7Å; R537-E577 PolarHBondContact NH1-OE1 3.39Å; R537-E577 IonicContact NH1-OE2 2.65Å; R537-E577 PolarHBondContact NH1-OE2 3.14Å; R537-E577 IonicContact NH2-OE1 3.91Å; R537-E577 IonicContact NH2-OE2 2.63Å; R537-E577 PolarHBondContact NH2-OE2 3.22Å
538V86.1Confident83.8Confident30 Ų3079.1 Ų79.118%0.18240%0.399CS..Hα-helixtrans-65.7-48.4174.2170.40000110.5Y534 K535 K540 K541 V542Y534-V538 HydrophobicContact CD1-CG2 4.4Å; Y534-V538 HydrophobicContact CD2-CG2 4.19Å; Y534-V538 HydrophobicContact CE1-CG2 3.95Å; Y534-V538 HydrophobicContact CE2-CG2 3.7Å; Y534-V538 WeakPolarHBondContact O-CB 3.39Å; Y534-V538 VanDerWaalsContact O-CG2 3.31Å; Y534-V538 WeakPolarHBondContact O-CG2 3.4Å; Y534-V538 PolarHBondContact O-N 3.04Å; K535-V538 PolarHBondContact O-N 2.9Å; V538-K540 PolarHBondContact O-N 2.82Å; V538-K541 CarbonylContact O-C 3.58Å; V538-K541 WeakPolarHBondContact O-CA 2.91Å; V538-K541 WeakPolarHBondContact O-CB 3.43Å; V538-K541 PolarHBondContact O-N 3.48Å; V538-V542 HydrophobicContact CG1-CG2 4.49Å; V538-V542 WeakPolarHBondContact O-CG2 3.26Å; V538-V542 PolarHBondContact O-N 3.36Å
539Q85Confident83Confident107 Ų10779.7 Ų79.750%0.540%0.403SS..Hα-helixtrans-55.8-53.3177.7-179.558.933.600111.4K535 K541 V542 E543K535-Q539 WeakPolarHBondContact O-CB 3.09Å; K535-Q539 PolarHBondContact O-N 3.18Å; Q539-K541 PolarHBondContact O-N 3.01Å; Q539-V542 PolarHBondContact O-N 2.97Å; Q539-E543 WeakPolarHBondContact CG-OE1 3.43Å; Q539-E543 PolarHBondContact NE2-OE1 3.39Å; Q539-E543 WeakPolarHBondContact O-CG 3.37Å; Q539-E543 PolarHBondContact O-N 2.95Å
540K86.2Confident82.5Confident153 Ų15381.9 Ų81.967%0.66542%0.417SS*.Hα-helixtrans-58.1-31.9176.4-176.1169.9-177.1171.10113.1M536 V538 S544M536-K540 WeakPolarHBondContact O-CB 3.47Å; M536-K540 PolarHBondContact O-N 3.48Å; V538-K540 PolarHBondContact O-N 2.82Å; K540-S544 PolarHBondContact O-N 3.49Å; K540-S544 PolarHBondContact O-OG 2.9Å
541K82.1Confident82Confident81 Ų8186.5 Ų86.535%0.35244%0.435SS..Hα-helixtrans-76.3-33.2176.6-175.5164.5-171163.50112.9R537 V538 Q539 E543 S544 D545R537-K541 VanDerWaalsContact O-CB 3.3Å; R537-K541 WeakPolarHBondContact O-CB 3.5Å; R537-K541 PolarHBondContact O-N 3.01Å; R537-K541 VanDerWaalsContact O-N 3.08Å; V538-K541 CarbonylContact O-C 3.58Å; V538-K541 WeakPolarHBondContact O-CA 2.91Å; V538-K541 WeakPolarHBondContact O-CB 3.43Å; V538-K541 PolarHBondContact O-N 3.48Å; Q539-K541 PolarHBondContact O-N 3.01Å; K541-E543 VanDerWaalsContact C-N 3.34Å; K541-S544 PolarHBondContact O-N 3.24Å; K541-S544 PolarHBondContact O-OG 3Å; K541-D545 WeakPolarHBondContact CE-OD2 3.47Å; K541-D545 HydrophobicContact CG-CB 4.5Å; K541-D545 IonicContact NZ-OD2 2.63Å; K541-D545 VanDerWaalsContact O-CB 3.31Å; K541-D545 WeakPolarHBondContact O-CB 3.49Å; K541-D545 PolarHBondContact O-N 3.43Å
542V82.6Confident81.6Confident39 Ų3989.8 Ų89.824%0.23645%0.449CS..Hα-helixtrans-66.6-41.5171.8173.80000109.9V538 Q539 G546 E548V538-V542 HydrophobicContact CG1-CG2 4.49Å; V538-V542 WeakPolarHBondContact O-CG2 3.26Å; V538-V542 PolarHBondContact O-N 3.36Å; Q539-V542 PolarHBondContact O-N 2.97Å; V542-G546 VanDerWaalsContact O-CA 3.3Å; V542-G546 WeakPolarHBondContact O-CA 3.29Å; V542-G546 PolarHBondContact O-N 2.93Å; V542-E548 HydrophobicContact CG1-CB 4.49Å; V542-E548 HydrophobicContact CG2-CB 3.92Å; V542-E548 HydrophobicContact CG2-CG 3.89Å
543E81.1Confident81.2Confident133 Ų13382.7 Ų82.762%0.62142%0.416SS*.Hα-helixtrans-62.3-38.5174.4-69.7162.8-17300113.1Q539 K541Q539-E543 WeakPolarHBondContact CG-OE1 3.43Å; Q539-E543 PolarHBondContact NE2-OE1 3.39Å; Q539-E543 WeakPolarHBondContact O-CG 3.37Å; Q539-E543 PolarHBondContact O-N 2.95Å; K541-E543 VanDerWaalsContact C-N 3.34Å
544S74.4Confident80.9Confident84 Ų8480.6 Ų80.659%0.58741%0.407SS*.Hα-helixtrans-82.4-42179.968.10000114.7K540 K541K540-S544 PolarHBondContact O-N 3.49Å; K540-S544 PolarHBondContact O-OG 2.9Å; K541-S544 PolarHBondContact O-N 3.24Å; K541-S544 PolarHBondContact O-OG 3Å
545D68.1Low80.7Confident74 Ų7481 Ų8140%0.39641%0.411SS..Hα-helixtrans-101.5-11.3-168.9-65.220000112.8K541 K547K541-D545 WeakPolarHBondContact CE-OD2 3.47Å; K541-D545 HydrophobicContact CG-CB 4.5Å; K541-D545 IonicContact NZ-OD2 2.63Å; K541-D545 VanDerWaalsContact O-CB 3.31Å; K541-D545 WeakPolarHBondContact O-CB 3.49Å; K541-D545 PolarHBondContact O-N 3.43Å; D545-K547 WeakPolarHBondContact O-CG 3.46Å; D545-K547 PolarHBondContact O-N 2.92Å; D545-K547 VanDerWaalsContact O-N 3.09Å
546G64.1Low80.5Confident66 Ų6677.9 Ų77.968%0.6840%0.397SS*.SBendtrans61.912-176.100000114.9V542V542-G546 VanDerWaalsContact O-CA 3.3Å; V542-G546 WeakPolarHBondContact O-CA 3.29Å; V542-G546 PolarHBondContact O-N 2.93Å
547K68.8Low80.4Confident118 Ų11872 Ų7251%0.51337%0.368SS..  trans-130.790.5-165.7-75.7173.7-177176.90112.1D545D545-K547 WeakPolarHBondContact O-CG 3.46Å; D545-K547 PolarHBondContact O-N 2.92Å; D545-K547 VanDerWaalsContact O-N 3.09Å
548E74.2Confident80.4Confident119 Ų11969.8 Ų69.856%0.55636%0.361SS*.PPolyproline II helixtrans-75.2151.8174.7-164.3174-175.800112.5V542V542-E548 HydrophobicContact CG1-CB 4.49Å; V542-E548 HydrophobicContact CG2-CB 3.92Å; V542-E548 HydrophobicContact CG2-CG 3.89Å
549V75.9Confident80.4Confident19 Ų1969.7 Ų69.712%0.11537%0.365CS..PPolyproline II helixtrans-96.1121.4168.9-179.10000107.7P427 E551 A553 L554 M557P427-V549 HydrophobicContact CB-CG2 4.07Å; P427-V549 HydrophobicContact CG-CG2 4.5Å; V549-E551 PolarHBondContact O-N 3.41Å; V549-A553 HydrophobicContact CG1-CB 4.31Å; V549-L554 HydrophobicContact CB-CD1 4.44Å; V549-L554 HydrophobicContact CB-CD2 4.04Å; V549-L554 HydrophobicContact CB-CG 4.15Å; V549-L554 HydrophobicContact CG1-CD2 3.8Å; V549-L554 HydrophobicContact CG1-CG 3.93Å; V549-M557 HydrophobicContact CG1-CE 4.43Å
550P81.3Confident80.4Confident49 Ų4967.9 Ų67.932%0.31836%0.356SS..PPolyproline II helixtrans-52.1133.7-175-29.234.6000113.3H552 A553 L554P550-H552 VanDerWaalsContact C-N 3.3Å; P550-H552 PolarHBondContact O-N 3.4Å; P550-A553 WeakPolarHBondContact O-CA 3.39Å; P550-A553 VanDerWaalsContact O-CB 3.29Å; P550-A553 WeakPolarHBondContact O-CB 3.41Å; P550-A553 PolarHBondContact O-N 3.46Å; P550-L554 PolarHBondContact O-N 3.46Å
551E81.9Confident80.7Confident144 Ų14460.6 Ų60.667%0.67332%0.324SS*.Hα-helixtrans-51.3-45.3-174.3-170.7-167.9-178.400112.8V549 A553 L554 L555V549-E551 PolarHBondContact O-N 3.41Å; E551-A553 PolarHBondContact O-N 2.91Å; E551-L554 CarbonylContact O-C 3.55Å; E551-L554 WeakPolarHBondContact O-CB 2.97Å; E551-L554 PolarHBondContact O-N 3.14Å; E551-L555 HydrophobicContact CG-CD1 4.28Å; E551-L555 PolarHBondContact O-N 3.13Å
552H81.6Confident81.1Confident103 Ų10358 Ų5848%0.47732%0.317SS..Hα-helixtrans-60.2-27.2176.4162.4-100.4000113.7P550 K556 L598P550-H552 VanDerWaalsContact C-N 3.3Å; P550-H552 PolarHBondContact O-N 3.4Å; H552-K556 PolarHBondContact CE1-NZ 3.33Å; H552-K556 VanDerWaalsContact CE1-NZ 3.28Å; H552-K556 WeakPolarHBondContact NE2-CE 3.44Å; H552-K556 PolarHBondContact NE2-NZ 3.38Å; H552-K556 WeakPolarHBondContact O-CG 3.48Å; H552-K556 PolarHBondContact O-N 2.99Å; H552-L598 VanDerWaalsContact CD2-CD2 3.45Å; H552-L598 WeakPolarHBondContact CD2-CD2 3.33Å
553A81.9Confident81.6Confident3 Ų357.6 Ų57.63%0.02531%0.314CS..Hα-helixtrans-77.5-40172.100000111.7Y176 V549 P550 E551 K556 M557Y176-A553 HydrophobicContact CD2-CB 4.09Å; V549-A553 HydrophobicContact CG1-CB 4.31Å; P550-A553 WeakPolarHBondContact O-CA 3.39Å; P550-A553 VanDerWaalsContact O-CB 3.29Å; P550-A553 WeakPolarHBondContact O-CB 3.41Å; P550-A553 PolarHBondContact O-N 3.46Å; E551-A553 PolarHBondContact O-N 2.91Å; A553-K556 WeakPolarHBondContact O-CB 3.46Å; A553-K556 PolarHBondContact O-N 2.9Å; A553-M557 WeakPolarHBondContact O-CG 3.48Å; A553-M557 PolarHBondContact O-N 3.32Å
554L85.6Confident82.1Confident27 Ų2751.3 Ų51.314%0.14129%0.285CS..Hα-helixtrans-63.1-42173.4-67.4176.7000111.9P427 V549 P550 E551 K556 M557 K558P427-L554 HydrophobicContact CB-CD2 4.4Å; P427-L554 HydrophobicContact CG-CD2 4.06Å; V549-L554 HydrophobicContact CB-CD1 4.44Å; V549-L554 HydrophobicContact CB-CD2 4.04Å; V549-L554 HydrophobicContact CB-CG 4.15Å; V549-L554 HydrophobicContact CG1-CD2 3.8Å; V549-L554 HydrophobicContact CG1-CG 3.93Å; P550-L554 PolarHBondContact O-N 3.46Å; E551-L554 CarbonylContact O-C 3.55Å; E551-L554 WeakPolarHBondContact O-CB 2.97Å; E551-L554 PolarHBondContact O-N 3.14Å; L554-K556 VanDerWaalsContact C-N 3.29Å; L554-K556 PolarHBondContact O-N 3.07Å; L554-M557 HydrophobicContact CD2-SD 4.01Å; L554-M557 WeakPolarHBondContact O-CB 3.46Å; L554-M557 PolarHBondContact O-N 2.98Å; L554-K558 WeakPolarHBondContact O-CB 3.41Å; L554-K558 PolarHBondContact O-N 3.26Å
555L86.3Confident82.8Confident28 Ų2854.8 Ų54.815%0.14729%0.292CS..Hα-helixtrans-59.9-38.2173.6-76170.4000111.9E551 G559 S594 A597 L598E551-L555 HydrophobicContact CG-CD1 4.28Å; E551-L555 PolarHBondContact O-N 3.13Å; L555-G559 PolarHBondContact O-N 3.31Å; L555-G559 VanDerWaalsContact O-N 3.15Å; L555-S594 VanDerWaalsContact O-CB 3.26Å; L555-S594 WeakPolarHBondContact O-CB 3.38Å; L555-S594 PolarHBondContact O-OG 2.84Å; L555-A597 HydrophobicContact CD1-CB 3.92Å; L555-A597 HydrophobicContact CD2-CB 4.34Å; L555-L598 HydrophobicContact CB-CD1 4.37Å; L555-L598 HydrophobicContact CB-CD2 4.24Å; L555-L598 HydrophobicContact CB-CG 4.34Å
556K85.2Confident83.9Confident60 Ų6057.4 Ų57.426%0.26130%0.302SS..Hα-helixtrans-65.1-49.4172.9-78.1179.9179.9-178.40111.8F179 H552 A553 L554 K558 G559 F560 L598F179-K556 HydrophobicContact CE2-CB 4.09Å; F179-K556 HydrophobicContact CE2-CD 4.29Å; F179-K556 HydrophobicContact CZ-CB 4.48Å; F179-K556 HydrophobicContact CZ-CD 3.87Å; H552-K556 PolarHBondContact CE1-NZ 3.33Å; H552-K556 VanDerWaalsContact CE1-NZ 3.28Å; H552-K556 WeakPolarHBondContact NE2-CE 3.44Å; H552-K556 PolarHBondContact NE2-NZ 3.38Å; H552-K556 WeakPolarHBondContact O-CG 3.48Å; H552-K556 PolarHBondContact O-N 2.99Å; A553-K556 WeakPolarHBondContact O-CB 3.46Å; A553-K556 PolarHBondContact O-N 2.9Å; L554-K556 VanDerWaalsContact C-N 3.29Å; L554-K556 PolarHBondContact O-N 3.07Å; K556-K558 PolarHBondContact O-N 2.64Å; K556-G559 WeakPolarHBondContact O-CA 3.47Å; K556-G559 PolarHBondContact O-N 3.39Å; K556-F560 HydrophobicContact CB-CE1 4.42Å; K556-F560 WeakPolarHBondContact O-CD1 3.38Å; K556-F560 WeakPolarHBondContact O-CE1 3.42Å; K556-F560 PolarHBondContact O-N 2.98Å; K556-L598 HydrophobicContact CB-CD1 4.38Å; K556-L598 HydrophobicContact CG-CD1 3.5Å; K556-L598 VanDerWaalsContact CG-CD1 3.5Å; K556-L598 HydrophobicContact CG-CD2 4.44Å
557M86.4Confident85Confident1 Ų156.7 Ų56.71%0.00529%0.294CS..Hα-helixtrans-52.1-52.1175.7-73.1176.5-174.400111.8G175 F179 L426 P427 L505 V549 A553 L554 G559 F560 Y561G175-M557 WeakPolarHBondContact O-CE 3.48Å; F179-M557 HydrophobicContact CB-CE 3.66Å; L426-M557 HydrophobicContact CD2-CB 4.01Å; P427-M557 WeakPolarHBondContact CD-SD 3.26Å; P427-M557 HydrophobicContact CG-CE 3.78Å; P427-M557 HydrophobicContact CG-SD 3.51Å; P427-M557 VanDerWaalsContact CG-SD 3.51Å; L505-M557 HydrophobicContact CD1-CB 3.64Å; L505-M557 HydrophobicContact CD1-CG 3.75Å; L505-M557 HydrophobicContact CD1-SD 4.06Å; V549-M557 HydrophobicContact CG1-CE 4.43Å; A553-M557 WeakPolarHBondContact O-CG 3.48Å; A553-M557 PolarHBondContact O-N 3.32Å; L554-M557 HydrophobicContact CD2-SD 4.01Å; L554-M557 WeakPolarHBondContact O-CB 3.46Å; L554-M557 PolarHBondContact O-N 2.98Å; M557-G559 PolarHBondContact O-N 3.24Å; M557-F560 HydrophobicContact CB-CZ 4.48Å; M557-F560 HydrophobicContact CG-CE1 4.46Å; M557-F560 HydrophobicContact CG-CZ 4.19Å; M557-F560 PolarHBondContact O-N 3.2Å; M557-Y561 VanDerWaalsContact O-CB 3.26Å; M557-Y561 WeakPolarHBondContact O-CB 3.38Å; M557-Y561 PolarHBondContact O-N 2.8Å
558K88.8Confident85.4Confident28 Ų2857.7 Ų57.712%0.12230%0.301CS..Hα-helixtrans-50-43.3173.4-83.7-174.7164.5-1670112.5L426 L554 K556 Y590 E593L426-K558 HydrophobicContact CD1-CG 4.24Å; L554-K558 WeakPolarHBondContact O-CB 3.41Å; L554-K558 PolarHBondContact O-N 3.26Å; K556-K558 PolarHBondContact O-N 2.64Å; K558-Y590 HydrophobicContact CD-CD1 3.98Å; K558-Y590 HydrophobicContact CD-CD2 4.17Å; K558-Y590 HydrophobicContact CD-CG 3.77Å; K558-Y590 VanDerWaalsContact CE-CD1 3.42Å; K558-Y590 VanDerWaalsContact CE-CE1 3.49Å; K558-Y590 HydrophobicContact CG-CD2 3.97Å; K558-Y590 HydrophobicContact CG-CG 3.94Å; K558-Y590 VanDerWaalsContact NZ-CD1 3.27Å; K558-E593 IonicContact NZ-OE2 2.65Å; K558-E593 PolarHBondContact NZ-OE2 2.8Å
559G86.5Confident86Confident27 Ų2753 Ų5328%0.27828%0.281SS..Hα-helixtrans-67-37.1-177.900000115.8L555 K556 M557 S594L555-G559 PolarHBondContact O-N 3.31Å; L555-G559 VanDerWaalsContact O-N 3.15Å; K556-G559 WeakPolarHBondContact O-CA 3.47Å; K556-G559 PolarHBondContact O-N 3.39Å; M557-G559 PolarHBondContact O-N 3.24Å; G559-S594 VanDerWaalsContact CA-CB 3.47Å; G559-S594 WeakPolarHBondContact CA-OG 3.32Å; G559-S594 PolarHBondContact N-OG 2.92Å
560F85.1Confident86.8Confident70 Ų7052.2 Ų52.231%0.30728%0.276SS..Hα-helixtrans-103-3.8-179.469.4-104.2000114.7F179 L505 K556 M557 A562F179-F560 AromaticContact CD2-CE1 3.75Å; F179-F560 HydrophobicContact CD2-CE1 3.75Å; F179-F560 AromaticContact CD2-CZ 3.9Å; F179-F560 HydrophobicContact CD2-CZ 3.9Å; F179-F560 AromaticContact CE2-CE1 3.77Å; F179-F560 HydrophobicContact CE2-CE1 3.77Å; F179-F560 HydrophobicContact CE2-CZ 4.34Å; L505-F560 HydrophobicContact CB-CD2 4.46Å; L505-F560 HydrophobicContact CB-CE2 3.94Å; K556-F560 HydrophobicContact CB-CE1 4.42Å; K556-F560 WeakPolarHBondContact O-CD1 3.38Å; K556-F560 WeakPolarHBondContact O-CE1 3.42Å; K556-F560 PolarHBondContact O-N 2.98Å; M557-F560 HydrophobicContact CB-CZ 4.48Å; M557-F560 HydrophobicContact CG-CE1 4.46Å; M557-F560 HydrophobicContact CG-CZ 4.19Å; M557-F560 PolarHBondContact O-N 3.2Å; F560-A562 PolarHBondContact O-N 3.29Å
561Y91.9Very high87.4Confident0 Ų054.7 Ų54.70%029%0.287CS..  trans-58.5123.1-179.7-179.3-169000111.1V424 L426 L505 F528 M557 L563 L587 K591V424-Y561 HydrophobicContact CG1-CE2 3.65Å; L426-Y561 HydrophobicContact CD2-CD1 4.07Å; L426-Y561 HydrophobicContact CD2-CE1 4.49Å; L426-Y561 HydrophobicContact CG-CD1 4.28Å; L426-Y561 HydrophobicContact CG-CE1 4.25Å; L505-Y561 HydrophobicContact CB-CD2 4.02Å; L505-Y561 HydrophobicContact CB-CG 4.31Å; L505-Y561 HydrophobicContact CD2-CD1 4.07Å; L505-Y561 HydrophobicContact CD2-CD2 3.64Å; L505-Y561 HydrophobicContact CD2-CE1 4.14Å; L505-Y561 HydrophobicContact CD2-CE2 3.76Å; L505-Y561 HydrophobicContact CD2-CG 3.85Å; L505-Y561 HydrophobicContact CG-CD2 4.43Å; L505-Y561 CarbonylContact O-C 3.54Å; L505-Y561 WeakPolarHBondContact O-CA 3.42Å; F528-Y561 AromaticContact CD2-CE1 3.76Å; F528-Y561 HydrophobicContact CD2-CE1 3.76Å; F528-Y561 AromaticContact CD2-CZ 3.91Å; F528-Y561 WeakPolarHBondContact CD2-OH 3.33Å; F528-Y561 HydrophobicContact CE2-CD1 4.15Å; F528-Y561 AromaticContact CE2-CE1 3.36Å; F528-Y561 HydrophobicContact CE2-CE1 3.36Å; F528-Y561 AromaticContact CE2-CZ 3.9Å; F528-Y561 HydrophobicContact CZ-CE1 4.21Å; M557-Y561 VanDerWaalsContact O-CB 3.26Å; M557-Y561 WeakPolarHBondContact O-CB 3.38Å; M557-Y561 PolarHBondContact O-N 2.8Å; Y561-L563 HydrophobicContact CE2-CD2 4.22Å; Y561-L587 HydrophobicContact CD1-CD1 3.67Å; Y561-L587 HydrophobicContact CE1-CD1 4.48Å; Y561-L587 HydrophobicContact CG-CD1 3.83Å; Y561-K591 WeakPolarHBondContact O-CE 3.23Å; Y561-K591 PolarHBondContact O-NZ 3.34Å
562A91.3Very high87.9Confident25 Ų2551.7 Ų51.721%0.20727%0.273CS..  trans-116128.9172.700000109.8L505 A507 Q510 F560L505-A562 PolarHBondContact O-N 3.11Å; A507-A562 HydrophobicContact CB-CB 3.77Å; Q510-A562 PolarHBondContact NE2-O 2.98Å; F560-A562 PolarHBondContact O-N 3.29Å
563L92.8Very high88.6Confident31 Ų3147.7 Ų47.716%0.16226%0.255CS..  trans-66.8144.3169.8-64.1173.3000109.5V526 F528 Y561 Y575 A583 A584 L587V526-L563 HydrophobicContact CG1-CD2 3.92Å; F528-L563 HydrophobicContact CD2-CD2 4.07Å; F528-L563 HydrophobicContact CE2-CD2 4.34Å; Y561-L563 HydrophobicContact CE2-CD2 4.22Å; L563-Y575 HydrophobicContact CD1-CE1 4.39Å; L563-Y575 HydrophobicContact CD2-CE1 4.37Å; L563-A583 HydrophobicContact CD1-CB 4.48Å; L563-A584 HydrophobicContact CD1-CB 4.29Å; L563-L587 HydrophobicContact CD1-CD2 4.16Å; L563-L587 HydrophobicContact CD2-CD2 4.29Å; L563-L587 HydrophobicContact CG-CD2 3.67Å
564P92.7Very high89.3Confident2 Ų250.3 Ų50.31%0.01327%0.271CS..  trans-69.5146.6174.929.1-33.7000111V424 A524 V526 F570 V573V424-P564 HydrophobicContact CG2-CG 4.23Å; A524-P564 HydrophobicContact CB-CB 3.78Å; A524-P564 HydrophobicContact CB-CG 3.68Å; V526-P564 HydrophobicContact CG2-CG 3.46Å; V526-P564 VanDerWaalsContact CG2-CG 3.46Å; P564-F570 HydrophobicContact CB-CD2 3.75Å; P564-F570 HydrophobicContact CB-CE2 3.54Å; P564-F570 HydrophobicContact CB-CZ 4.29Å; P564-V573 HydrophobicContact CB-CG1 4.41Å; P564-V573 HydrophobicContact CB-CG2 4.24Å; P564-V573 HydrophobicContact CG-CG1 3.76Å; P564-V573 HydrophobicContact CG-CG2 4.45Å
565E89.2Confident89.7Confident156 Ų15651.1 Ų51.173%0.72927%0.273SS*.  trans-118.4142.2176.7-65.7-178.4167.400110.4
566E90.4Very high90Very high129 Ų12951.7 Ų51.760%0.60328%0.281SS*.BIsolated β-bridgetrans-67.5137.9173-66.1177.5163.600110.6V573E566-V573 HydrophobicContact CG-CB 3.95Å; E566-V573 HydrophobicContact CG-CG2 3.67Å; E566-V573 PolarHBondContact OE1-N 3.21Å
567G86.3Confident90.3Very high51 Ų5152.4 Ų52.453%0.52629%0.285SS..THydrogen-bonded Turntrans142.4-123.6-179.600000113.1S569 F570G567-S569 VanDerWaalsContact C-N 3.3Å; G567-S569 PolarHBondContact O-N 3.14Å; G567-F570 PolarHBondContact N-O 3.38Å
568E79Confident90.5Very high140 Ų14053.8 Ų53.865%0.65429%0.293SS*.THydrogen-bonded Turntrans-63.2-32.4-169.9-164-167.3161.200113.6K511 R522K511-E568 VanDerWaalsContact CE-OE1 3.28Å; K511-E568 WeakPolarHBondContact CE-OE1 3.34Å; K511-E568 IonicContact NZ-OE1 2.76Å; K511-E568 PolarHBondContact NZ-OE1 2.89Å; K511-E568 IonicContact NZ-OE2 3.3Å; K511-E568 PolarHBondContact NZ-OE2 2.85Å; R522-E568 PolarHBondContact NH1-O 3.12Å; R522-E568 VanDerWaalsContact NH1-O 3.1Å; R522-E568 PolarHBondContact NH2-O 3.21Å
569S84.9Confident90.7Very high20 Ų2056.1 Ų56.114%0.1431%0.311CS..THydrogen-bonded Turntrans-97.6-36.3-176.6-55.30000113.4M514 R522 G567M514-S569 WeakPolarHBondContact CB-O 3.22Å; R522-S569 WeakPolarHBondContact CB-O 3.28Å; R522-S569 VanDerWaalsContact CZ-O 3.31Å; R522-S569 PolarHBondContact NE-O 3.07Å; R522-S569 PolarHBondContact NH1-O 3.15Å; G567-S569 VanDerWaalsContact C-N 3.3Å; G567-S569 PolarHBondContact O-N 3.14Å
570F92.8Very high91Very high2 Ų260.4 Ų60.41%0.00932%0.322CS..BIsolated β-bridgetrans-131.1134.5-174.6-59.6-71.4000111.2V422 Q510 M514 R522 A524 P564 G567 V573V422-F570 HydrophobicContact CB-CE1 4.06Å; V422-F570 HydrophobicContact CG2-CE1 3.98Å; Q510-F570 HydrophobicContact CB-CE2 4.11Å; Q510-F570 HydrophobicContact CB-CZ 4.02Å; Q510-F570 HydrophobicContact CG-CZ 4.37Å; M514-F570 HydrophobicContact CG-CD1 4.06Å; M514-F570 HydrophobicContact CG-CE1 3.45Å; M514-F570 VanDerWaalsContact CG-CE1 3.45Å; M514-F570 HydrophobicContact CG-CZ 3.76Å; M514-F570 HydrophobicContact SD-CD1 4.15Å; M514-F570 HydrophobicContact SD-CE1 3.67Å; R522-F570 CarbonylContact O-C 3.59Å; R522-F570 WeakPolarHBondContact O-CA 3.18Å; A524-F570 HydrophobicContact CB-CD1 3.76Å; A524-F570 HydrophobicContact CB-CD2 4.31Å; A524-F570 HydrophobicContact CB-CE1 3.77Å; A524-F570 HydrophobicContact CB-CE2 4.33Å; A524-F570 HydrophobicContact CB-CG 4.03Å; A524-F570 HydrophobicContact CB-CZ 4.06Å; P564-F570 HydrophobicContact CB-CD2 3.75Å; P564-F570 HydrophobicContact CB-CE2 3.54Å; P564-F570 HydrophobicContact CB-CZ 4.29Å; G567-F570 PolarHBondContact N-O 3.38Å; F570-V573 HydrophobicContact CB-CG2 4.04Å
571N93.8Very high91.3Very high102 Ų10262.6 Ų62.655%0.54534%0.337SS..SBendtrans-76.8-31.8173.3-65.486000112.2R522R522-N571 PolarHBondContact N-OD1 3.02Å; R522-N571 PolarHBondContact O-N 2.9Å
572E94.3Very high91.3Very high81 Ų8165.9 Ų65.938%0.37935%0.354SS..EExtended strand (participates in β ladder)trans-148137.9-174.8-173.9-176.8172.500109K523 A524K523-E572 WeakPolarHBondContact CA-O 3.49Å; K523-E572 HydrophobicContact CD-CB 4.39Å; K523-E572 VanDerWaalsContact CD-OE2 3.24Å; K523-E572 WeakPolarHBondContact CD-OE2 2.95Å; K523-E572 WeakPolarHBondContact CE-OE2 3.22Å; K523-E572 HydrophobicContact CG-CB 4.13Å; K523-E572 IonicContact NZ-OE2 2.78Å; K523-E572 PolarHBondContact NZ-OE2 2.87Å; K523-E572 VanDerWaalsContact NZ-OE2 3.11Å; A524-E572 PolarHBondContact N-O 3.11Å
573V96Very high91.3Very high18 Ų1864.7 Ų64.711%0.10934%0.344CS..EExtended strand (participates in β ladder)trans-125.6108.6173.5179.40000110.5A524 V526 P564 E566 F570 Y575A524-V573 HydrophobicContact CB-CG1 4.45Å; A524-V573 HydrophobicContact CB-CG2 4.23Å; A524-V573 WeakPolarHBondContact O-CA 3.27Å; V526-V573 HydrophobicContact CG2-CG1 4.11Å; P564-V573 HydrophobicContact CB-CG1 4.41Å; P564-V573 HydrophobicContact CB-CG2 4.24Å; P564-V573 HydrophobicContact CG-CG1 3.76Å; P564-V573 HydrophobicContact CG-CG2 4.45Å; E566-V573 HydrophobicContact CG-CB 3.95Å; E566-V573 HydrophobicContact CG-CG2 3.67Å; E566-V573 PolarHBondContact OE1-N 3.21Å; F570-V573 HydrophobicContact CB-CG2 4.04Å; V573-Y575 HydrophobicContact CG1-CD2 4.29Å; V573-Y575 HydrophobicContact CG1-CE2 3.66Å
574T95.8Very high91.3Very high58 Ų5864.9 Ų64.936%0.35635%0.35SS..EExtended strand (participates in β ladder)trans-97.1135.1179-38.80000110.5A524 V525 V526A524-T574 PolarHBondContact O-N 3.24Å; V525-T574 WeakPolarHBondContact CA-O 3.48Å; V526-T574 PolarHBondContact N-O 3.21Å
575Y95.1Very high91.3Very high45 Ų4570.2 Ų70.218%0.17637%0.373CS..EExtended strand (participates in β ladder)trans-102.3118.7171.3-73.2-104.3000108.3V526 L563 V573 L578 K580 A583V526-Y575 HydrophobicContact CB-CD1 3.86Å; V526-Y575 HydrophobicContact CB-CE1 3.99Å; V526-Y575 HydrophobicContact CB-CG 4.26Å; V526-Y575 HydrophobicContact CG1-CD1 3.9Å; V526-Y575 HydrophobicContact CG1-CE1 3.85Å; V526-Y575 HydrophobicContact CG2-CD1 4.34Å; V526-Y575 HydrophobicContact CG2-CE1 4.05Å; V526-Y575 HydrophobicContact CG2-CE2 4.44Å; L563-Y575 HydrophobicContact CD1-CE1 4.39Å; L563-Y575 HydrophobicContact CD2-CE1 4.37Å; V573-Y575 HydrophobicContact CG1-CD2 4.29Å; V573-Y575 HydrophobicContact CG1-CE2 3.66Å; Y575-L578 WeakPolarHBondContact CB-O 3.31Å; Y575-K580 HydrophobicContact CD1-CB 4.36Å; Y575-K580 HydrophobicContact CD2-CB 4.1Å; Y575-K580 HydrophobicContact CE1-CB 4.07Å; Y575-K580 HydrophobicContact CE1-CG 4.31Å; Y575-K580 HydrophobicContact CE2-CB 3.8Å; Y575-K580 HydrophobicContact CE2-CD 4.12Å; Y575-K580 HydrophobicContact CE2-CG 3.97Å; Y575-K580 HydrophobicContact CG-CB 4.39Å; Y575-A583 HydrophobicContact CD1-CB 4.34Å; Y575-A583 HydrophobicContact CE1-CB 4.17Å
576A92.3Very high91.4Very high39 Ų3963.9 Ų63.932%0.32234%0.344SS..SBendtrans-80.8-24.2-170.600000113.9V525 V526 V527V525-A576 HydrophobicContact CG1-CB 4.16Å; V526-A576 PolarHBondContact O-N 3.01Å; V527-A576 HydrophobicContact CG2-CB 4.23Å
577E90.8Very high91.5Very high75 Ų7558 Ų5835%0.3532%0.317SS..SBendtrans-137.3-85.4-170.4-62.2-179.8-147.900111.1V527 P529 R537V527-E577 WeakPolarHBondContact CG1-OE1 3.49Å; P529-E577 WeakPolarHBondContact CA-OE2 3.26Å; P529-E577 WeakPolarHBondContact CB-OE2 3.43Å; R537-E577 IonicContact CZ-OE1 3.7Å; R537-E577 IonicContact CZ-OE2 3.88Å; R537-E577 VanDerWaalsContact NH1-CD 3.26Å; R537-E577 IonicContact NH1-OE1 3.7Å; R537-E577 PolarHBondContact NH1-OE1 3.39Å; R537-E577 IonicContact NH1-OE2 2.65Å; R537-E577 PolarHBondContact NH1-OE2 3.14Å; R537-E577 IonicContact NH2-OE1 3.91Å; R537-E577 IonicContact NH2-OE2 2.63Å; R537-E577 PolarHBondContact NH2-OE2 3.22Å
578L91.4Very high91.7Very high31 Ų3161.9 Ų61.916%0.16232%0.321CS..SBendtrans-70.1135.2174-80.2173.6000112.2F528 P529 T530 Y575 D582 A583 L586F528-L578 HydrophobicContact CD1-CD1 4.08Å; F528-L578 VanDerWaalsContact O-CB 3.24Å; F528-L578 WeakPolarHBondContact O-CB 3.48Å; F528-L578 WeakPolarHBondContact O-CG 3.29Å; F528-L578 PolarHBondContact O-N 3.48Å; P529-L578 WeakPolarHBondContact O-CD1 3.39Å; T530-L578 HydrophobicContact CG2-CD2 4.08Å; T530-L578 HydrophobicContact CG2-CG 4.46Å; Y575-L578 WeakPolarHBondContact CB-O 3.31Å; L578-D582 HydrophobicContact CD2-CB 4.3Å; L578-A583 HydrophobicContact CB-CB 4.21Å; L578-L586 HydrophobicContact CD1-CD2 4.05Å
579P92.6Very high92.3Very high76 Ų7660.4 Ų60.449%0.49431%0.314SS..  trans-56.8151.5168.5-24.134.4000112.5D581 D582 A583P579-D581 VanDerWaalsContact C-N 3.28Å; P579-D581 PolarHBondContact O-N 2.76Å; P579-D581 VanDerWaalsContact O-N 3.14Å; P579-D582 PolarHBondContact O-N 3.45Å; P579-D582 VanDerWaalsContact O-N 3.08Å; P579-A583 PolarHBondContact O-N 2.82Å
580K92.2Very high92.6Very high118 Ų11859.5 Ų59.551%0.51331%0.308SS..Hα-helixtrans-46.5-46.4-178.3178.7173.1-179.2178.10114.1Y575 A584Y575-K580 HydrophobicContact CD1-CB 4.36Å; Y575-K580 HydrophobicContact CD2-CB 4.1Å; Y575-K580 HydrophobicContact CE1-CB 4.07Å; Y575-K580 HydrophobicContact CE1-CG 4.31Å; Y575-K580 HydrophobicContact CE2-CB 3.8Å; Y575-K580 HydrophobicContact CE2-CD 4.12Å; Y575-K580 HydrophobicContact CE2-CG 3.97Å; Y575-K580 HydrophobicContact CG-CB 4.39Å; K580-A584 WeakPolarHBondContact O-CB 3.28Å; K580-A584 PolarHBondContact O-N 3.3Å
581D91.5Very high92.4Very high116 Ų11662 Ų6262%0.6232%0.319SS*.Hα-helixtrans-70.6-32.6-174.5-64.2-19.1000112.6P579 K585P579-D581 VanDerWaalsContact C-N 3.28Å; P579-D581 PolarHBondContact O-N 2.76Å; P579-D581 VanDerWaalsContact O-N 3.14Å; D581-K585 WeakPolarHBondContact O-CE 3.42Å; D581-K585 VanDerWaalsContact O-CG 3.3Å; D581-K585 WeakPolarHBondContact O-CG 3.35Å; D581-K585 PolarHBondContact O-N 2.99Å
582D92.1Very high92.2Very high69 Ų6963.1 Ų63.137%0.36932%0.321SS..Hα-helixtrans-83.7-38179.4-64.3-39.2000111.5L578 P579 A584 K585 L586L578-D582 HydrophobicContact CD2-CB 4.3Å; P579-D582 PolarHBondContact O-N 3.45Å; P579-D582 VanDerWaalsContact O-N 3.08Å; D582-A584 VanDerWaalsContact C-N 3.25Å; D582-A584 PolarHBondContact O-N 3.42Å; D582-K585 PolarHBondContact O-N 3.11Å; D582-K585 IonicContact OD1-NZ 3.11Å; D582-K585 PolarHBondContact OD1-NZ 3.24Å; D582-L586 PolarHBondContact O-N 3.23Å
583A92.2Very high92Very high0 Ų063 Ų630%032%0.32CS..Hα-helixtrans-58.7-37.1168.600000111.9F528 L563 Y575 L578 P579 L587F528-A583 HydrophobicContact CB-CB 4.3Å; F528-A583 HydrophobicContact CD2-CB 4.12Å; F528-A583 HydrophobicContact CG-CB 4.1Å; L563-A583 HydrophobicContact CD1-CB 4.48Å; Y575-A583 HydrophobicContact CD1-CB 4.34Å; Y575-A583 HydrophobicContact CE1-CB 4.17Å; L578-A583 HydrophobicContact CB-CB 4.21Å; P579-A583 PolarHBondContact O-N 2.82Å; A583-L587 WeakPolarHBondContact O-CB 3.45Å; A583-L587 PolarHBondContact O-N 2.79Å
584A92.3Very high91.6Very high35 Ų3562.5 Ų62.529%0.28932%0.318SS..Hα-helixtrans-65.5-46.5175.300000112.5L563 K580 D582 L587 E588L563-A584 HydrophobicContact CD1-CB 4.29Å; K580-A584 WeakPolarHBondContact O-CB 3.28Å; K580-A584 PolarHBondContact O-N 3.3Å; D582-A584 VanDerWaalsContact C-N 3.25Å; D582-A584 PolarHBondContact O-N 3.42Å; A584-L587 PolarHBondContact O-N 3.17Å; A584-E588 PolarHBondContact O-N 3.26Å
585K93Very high91.1Very high114 Ų11466.9 Ų66.950%0.49633%0.332SS..Hα-helixtrans-60.2-47176.8-66.3162.2-1571610111.9D581 D582 L587 E588 Q589D581-K585 WeakPolarHBondContact O-CE 3.42Å; D581-K585 VanDerWaalsContact O-CG 3.3Å; D581-K585 WeakPolarHBondContact O-CG 3.35Å; D581-K585 PolarHBondContact O-N 2.99Å; D582-K585 PolarHBondContact O-N 3.11Å; D582-K585 IonicContact OD1-NZ 3.11Å; D582-K585 PolarHBondContact OD1-NZ 3.24Å; K585-L587 VanDerWaalsContact C-N 3.31Å; K585-L587 PolarHBondContact O-N 3.45Å; K585-E588 PolarHBondContact O-N 3.04Å; K585-Q589 PolarHBondContact O-N 3.28Å; K585-Q589 VanDerWaalsContact O-N 3.16Å
586L91.3Very high90.7Very high23 Ų2370.5 Ų70.512%0.1236%0.359CS..Hα-helixtrans-66.2-35.4179.7-176.252.8000111.5F528 D531 L578 D582 Q589 Y590F528-L586 HydrophobicContact CD1-CD2 4.35Å; F528-L586 HydrophobicContact CE1-CB 4.28Å; F528-L586 HydrophobicContact CE1-CD2 3.7Å; F528-L586 HydrophobicContact CE1-CG 3.89Å; F528-L586 HydrophobicContact CZ-CG 4.39Å; D531-L586 HydrophobicContact CB-CD1 4.33Å; D531-L586 HydrophobicContact CB-CD2 4.4Å; L578-L586 HydrophobicContact CD1-CD2 4.05Å; D582-L586 PolarHBondContact O-N 3.23Å; L586-Q589 PolarHBondContact O-N 3Å; L586-Y590 HydrophobicContact CD1-CD1 4.24Å; L586-Y590 HydrophobicContact CD1-CE1 3.75Å; L586-Y590 HydrophobicContact CG-CE1 4.22Å; L586-Y590 HydrophobicContact CG-CE2 4.19Å; L586-Y590 PolarHBondContact O-N 2.95Å
587L91.6Very high90.3Very high6 Ų671.6 Ų71.63%0.03137%0.367CS..Hα-helixtrans-67.1-33.1172.5179.759.1000113.3F528 Y561 L563 A583 A584 K585 K591F528-L587 HydrophobicContact CE2-CB 4.16Å; F528-L587 HydrophobicContact CZ-CB 4.21Å; Y561-L587 HydrophobicContact CD1-CD1 3.67Å; Y561-L587 HydrophobicContact CE1-CD1 4.48Å; Y561-L587 HydrophobicContact CG-CD1 3.83Å; L563-L587 HydrophobicContact CD1-CD2 4.16Å; L563-L587 HydrophobicContact CD2-CD2 4.29Å; L563-L587 HydrophobicContact CG-CD2 3.67Å; A583-L587 WeakPolarHBondContact O-CB 3.45Å; A583-L587 PolarHBondContact O-N 2.79Å; A584-L587 PolarHBondContact O-N 3.17Å; K585-L587 VanDerWaalsContact C-N 3.31Å; K585-L587 PolarHBondContact O-N 3.45Å; L587-K591 HydrophobicContact CD1-CD 4.46Å; L587-K591 HydrophobicContact CD1-CG 4.49Å; L587-K591 HydrophobicContact CG-CD 4.3Å; L587-K591 WeakPolarHBondContact O-CB 3.31Å; L587-K591 VanDerWaalsContact O-CG 3.29Å; L587-K591 WeakPolarHBondContact O-CG 3.45Å; L587-K591 PolarHBondContact O-N 3.4Å
588E91.9Very high89.8Confident131 Ų13169.5 Ų69.561%0.61236%0.359SS*.Hα-helixtrans-64.6-44.4172.3-73.8-176.216300111.2A584 K585 Y590 K591 E592A584-E588 PolarHBondContact O-N 3.26Å; K585-E588 PolarHBondContact O-N 3.04Å; E588-Y590 PolarHBondContact O-N 3.29Å; E588-K591 WeakPolarHBondContact O-CB 3.21Å; E588-K591 PolarHBondContact O-N 3.26Å; E588-K591 VanDerWaalsContact O-N 3.11Å; E588-E592 PolarHBondContact O-N 3.32Å
589Q90.8Very high88.9Confident109 Ų10973.3 Ų73.351%0.50939%0.385SS..Hα-helixtrans-58-49.6173.9-65.5170.9-8.200111.5K585 L586 K591 E592 E593K585-Q589 PolarHBondContact O-N 3.28Å; K585-Q589 VanDerWaalsContact O-N 3.16Å; L586-Q589 PolarHBondContact O-N 3Å; Q589-K591 PolarHBondContact O-N 3.26Å; Q589-E592 WeakPolarHBondContact O-CA 3.18Å; Q589-E592 PolarHBondContact O-N 3.37Å; Q589-E593 WeakPolarHBondContact O-CG 3.34Å; Q589-E593 PolarHBondContact O-N 3.29Å
590Y90.8Very high87.4Confident2 Ų274.4 Ų74.41%0.00840%0.401CS..Hα-helixtrans-57.6-32.1175.1-74-5.9000113.7L426 F528 D531 K558 L586 E588 E593 S594L426-Y590 HydrophobicContact CD1-CD2 4.49Å; L426-Y590 HydrophobicContact CD1-CE2 4.13Å; F528-Y590 HydrophobicContact CE1-CD2 4.49Å; F528-Y590 AromaticContact CE1-CE2 3.86Å; F528-Y590 HydrophobicContact CE1-CE2 3.86Å; F528-Y590 AromaticContact CZ-CD2 3.99Å; F528-Y590 HydrophobicContact CZ-CD2 3.99Å; F528-Y590 AromaticContact CZ-CE2 3.81Å; F528-Y590 HydrophobicContact CZ-CE2 3.81Å; D531-Y590 VanDerWaalsContact OD1-CE1 3.28Å; D531-Y590 WeakPolarHBondContact OD1-CE1 3.16Å; D531-Y590 PolarHBondContact OD1-OH 3.03Å; K558-Y590 HydrophobicContact CD-CD1 3.98Å; K558-Y590 HydrophobicContact CD-CD2 4.17Å; K558-Y590 HydrophobicContact CD-CG 3.77Å; K558-Y590 VanDerWaalsContact CE-CD1 3.42Å; K558-Y590 VanDerWaalsContact CE-CE1 3.49Å; K558-Y590 HydrophobicContact CG-CD2 3.97Å; K558-Y590 HydrophobicContact CG-CG 3.94Å; K558-Y590 VanDerWaalsContact NZ-CD1 3.27Å; L586-Y590 HydrophobicContact CD1-CD1 4.24Å; L586-Y590 HydrophobicContact CD1-CE1 3.75Å; L586-Y590 HydrophobicContact CG-CE1 4.22Å; L586-Y590 HydrophobicContact CG-CE2 4.19Å; L586-Y590 PolarHBondContact O-N 2.95Å; E588-Y590 PolarHBondContact O-N 3.29Å; Y590-E593 WeakPolarHBondContact CD1-OE2 3.36Å; Y590-S594 VanDerWaalsContact O-CB 3.29Å; Y590-S594 WeakPolarHBondContact O-CB 3.38Å; Y590-S594 PolarHBondContact O-N 3.07Å; Y590-S594 VanDerWaalsContact O-N 3.07Å
591K89.6Confident85.8Confident54 Ų5477 Ų7724%0.23542%0.415CS..Hα-helixtrans-75.7-27.6174.4-76.6168.3177.5163.60113.1Y561 L587 E588 Q589 K595Y561-K591 WeakPolarHBondContact O-CE 3.23Å; Y561-K591 PolarHBondContact O-NZ 3.34Å; L587-K591 HydrophobicContact CD1-CD 4.46Å; L587-K591 HydrophobicContact CD1-CG 4.49Å; L587-K591 HydrophobicContact CG-CD 4.3Å; L587-K591 WeakPolarHBondContact O-CB 3.31Å; L587-K591 VanDerWaalsContact O-CG 3.29Å; L587-K591 WeakPolarHBondContact O-CG 3.45Å; L587-K591 PolarHBondContact O-N 3.4Å; E588-K591 WeakPolarHBondContact O-CB 3.21Å; E588-K591 PolarHBondContact O-N 3.26Å; E588-K591 VanDerWaalsContact O-N 3.11Å; Q589-K591 PolarHBondContact O-N 3.26Å; K591-K595 WeakPolarHBondContact O-CD 3.49Å; K591-K595 WeakPolarHBondContact O-CE 3.49Å; K591-K595 WeakPolarHBondContact O-CG 3.2Å; K591-K595 PolarHBondContact O-N 2.82Å
592E89.6Confident83.6Confident126 Ų12681.2 Ų81.259%0.58943%0.427SS*.Hα-helixtrans-75.9-47.8173.2-68.3-172.216300111E588 Q589 S594 K595 T596E588-E592 PolarHBondContact O-N 3.32Å; Q589-E592 WeakPolarHBondContact O-CA 3.18Å; Q589-E592 PolarHBondContact O-N 3.37Å; E592-S594 VanDerWaalsContact C-N 3.29Å; E592-S594 PolarHBondContact O-N 2.88Å; E592-K595 PolarHBondContact O-N 3.45Å; E592-K595 VanDerWaalsContact O-N 3.07Å; E592-T596 WeakPolarHBondContact O-CG2 3.45Å; E592-T596 PolarHBondContact O-N 3.24Å; E592-T596 PolarHBondContact O-OG1 3.27Å
593E88.4Confident81.4Confident78 Ų7886.9 Ų86.936%0.36445%0.449SS..Hα-helixtrans-48.8-50170-70.2174.1177.200111.7K558 Q589 Y590 K595 T596 A597K558-E593 IonicContact NZ-OE2 2.65Å; K558-E593 PolarHBondContact NZ-OE2 2.8Å; Q589-E593 WeakPolarHBondContact O-CG 3.34Å; Q589-E593 PolarHBondContact O-N 3.29Å; Y590-E593 WeakPolarHBondContact CD1-OE2 3.36Å; E593-K595 VanDerWaalsContact C-N 3.34Å; E593-K595 PolarHBondContact O-N 3.33Å; E593-T596 PolarHBondContact O-N 3.49Å; E593-T596 PolarHBondContact O-OG1 3.18Å; E593-A597 VanDerWaalsContact O-CB 3.31Å; E593-A597 WeakPolarHBondContact O-CB 3.4Å; E593-A597 PolarHBondContact O-N 2.86Å
594S88.2Confident79.1Confident8 Ų892.1 Ų92.16%0.05648%0.483CS..Hα-helixtrans-60-41.5179.3-174.50000112.7L555 G559 Y590 E592 L598L555-S594 VanDerWaalsContact O-CB 3.26Å; L555-S594 WeakPolarHBondContact O-CB 3.38Å; L555-S594 PolarHBondContact O-OG 2.84Å; G559-S594 VanDerWaalsContact CA-CB 3.47Å; G559-S594 WeakPolarHBondContact CA-OG 3.32Å; G559-S594 PolarHBondContact N-OG 2.92Å; Y590-S594 VanDerWaalsContact O-CB 3.29Å; Y590-S594 WeakPolarHBondContact O-CB 3.38Å; Y590-S594 PolarHBondContact O-N 3.07Å; Y590-S594 VanDerWaalsContact O-N 3.07Å; E592-S594 VanDerWaalsContact C-N 3.29Å; E592-S594 PolarHBondContact O-N 2.88Å; S594-L598 WeakPolarHBondContact O-CB 3.27Å; S594-L598 VanDerWaalsContact O-CG 3.31Å; S594-L598 WeakPolarHBondContact O-CG 3.4Å; S594-L598 PolarHBondContact O-N 3.35Å; S594-L598 WeakPolarHBondContact OG-CD1 2.9Å
595K86.3Confident76.5Confident150 Ų15098.2 Ų98.265%0.65251%0.511SS*.Hα-helixtrans-72.4-28179-70.3163.1-163.4158.40113.4K591 E592 E593K591-K595 WeakPolarHBondContact O-CD 3.49Å; K591-K595 WeakPolarHBondContact O-CE 3.49Å; K591-K595 WeakPolarHBondContact O-CG 3.2Å; K591-K595 PolarHBondContact O-N 2.82Å; E592-K595 PolarHBondContact O-N 3.45Å; E592-K595 VanDerWaalsContact O-N 3.07Å; E593-K595 VanDerWaalsContact C-N 3.34Å; E593-K595 PolarHBondContact O-N 3.33Å
596T86.3Confident74.1Confident121 Ų121101.2 Ų101.274%0.74253%0.527SS*.Hα-helixtrans-84-38178.755.50000111.8E592 E593E592-T596 WeakPolarHBondContact O-CG2 3.45Å; E592-T596 PolarHBondContact O-N 3.24Å; E592-T596 PolarHBondContact O-OG1 3.27Å; E593-T596 PolarHBondContact O-N 3.49Å; E593-T596 PolarHBondContact O-OG1 3.18Å
597A82.8Confident71.5Confident61 Ų61102.9 Ų102.950%0.50455%0.549SS..Hα-helixtrans-80.8-32.1-179.300000113.9L555 E593L555-A597 HydrophobicContact CD1-CB 3.92Å; L555-A597 HydrophobicContact CD2-CB 4.34Å; E593-A597 VanDerWaalsContact O-CB 3.31Å; E593-A597 WeakPolarHBondContact O-CB 3.4Å; E593-A597 PolarHBondContact O-N 2.86Å
598L80.3Confident68.9Low32 Ų32107.9 Ų107.917%0.16859%0.585CS.*SBendtrans-94.4138.2-177.9-59.5176.1000112.5H552 L555 K556 S594 A600H552-L598 VanDerWaalsContact CD2-CD2 3.45Å; H552-L598 WeakPolarHBondContact CD2-CD2 3.33Å; L555-L598 HydrophobicContact CB-CD1 4.37Å; L555-L598 HydrophobicContact CB-CD2 4.24Å; L555-L598 HydrophobicContact CB-CG 4.34Å; K556-L598 HydrophobicContact CB-CD1 4.38Å; K556-L598 HydrophobicContact CG-CD1 3.5Å; K556-L598 VanDerWaalsContact CG-CD1 3.5Å; K556-L598 HydrophobicContact CG-CD2 4.44Å; S594-L598 WeakPolarHBondContact O-CB 3.27Å; S594-L598 VanDerWaalsContact O-CG 3.31Å; S594-L598 WeakPolarHBondContact O-CG 3.4Å; S594-L598 PolarHBondContact O-N 3.35Å; S594-L598 WeakPolarHBondContact OG-CD1 2.9Å; L598-A600 PolarHBondContact O-N 2.94Å
599P73.2Confident66.5Low110 Ų110108 Ų10871%0.71460%0.595SS**PPolyproline II helixtrans-63.7136173.927.2-34.1000110.6E601P599-E601 PolarHBondContact O-N 2.95Å
600A62Low64Low100 Ų100108.4 Ų108.483%0.82660%0.604SS**PPolyproline II helixtrans-49.9122.5-175.700000112.5L598 K602L598-A600 PolarHBondContact O-N 2.94Å; A600-K602 PolarHBondContact O-N 2.65Å
601E57.1Low61.6Low171 Ų171114.2 Ų114.280%0.79964%0.643SS**PPolyproline II helixtrans-58.2125.6-177.6-68.2-162.4140.600111.2P599 K603P599-E601 PolarHBondContact O-N 2.95Å; E601-K603 VanDerWaalsContact C-N 3.34Å; E601-K603 PolarHBondContact O-N 3.47Å
602K46.8Very low59Low205 Ų205121.6 Ų121.689%0.89168%0.675SS**  trans-65.496.7169-72179.8-179173.10107.9A600A600-K602 PolarHBondContact O-N 2.65Å
603K44.3Very low56.3Low188 Ų188127.1 Ų127.182%0.81769%0.69SS**  trans-44.3128.1173.7-68.6-173.6177.9-177.60109E601 N605E601-K603 VanDerWaalsContact C-N 3.34Å; E601-K603 PolarHBondContact O-N 3.47Å; K603-N605 PolarHBondContact O-N 3.38Å; K603-N605 VanDerWaalsContact O-N 3.16Å
604P43.5Very low53.7Low111 Ų111127.2 Ų127.272%0.72171%0.712SS**  trans-55.6128.2173.823.4-32.5000107.6Q606P604-Q606 VanDerWaalsContact C-N 3.3Å; P604-Q606 PolarHBondContact O-N 2.88Å
605N39.5Very low51Low163 Ų163130.7 Ų130.787%0.87275%0.75SS**  trans-67.888.6-168.4-164.116000109.2K603 G607K603-N605 PolarHBondContact O-N 3.38Å; K603-N605 VanDerWaalsContact O-N 3.16Å; N605-G607 VanDerWaalsContact C-N 3.33Å; N605-G607 PolarHBondContact O-N 3.23Å
606Q41.3Very low48.6Very low177 Ų177130 Ų13083%0.82776%0.763SS**  trans-62.698.3174.8-72.7-169.72.300107.5P604 S608P604-Q606 VanDerWaalsContact C-N 3.3Å; P604-Q606 PolarHBondContact O-N 2.88Å; Q606-S608 PolarHBondContact O-N 3.17Å; Q606-S608 VanDerWaalsContact O-N 3.15Å
607G37.3Very low46Very low58 Ų58127.7 Ų127.760%0.59876%0.764SS**  trans-51.7123.1-17900000109.4N605 T609N605-G607 VanDerWaalsContact C-N 3.33Å; N605-G607 PolarHBondContact O-N 3.23Å; G607-T609 VanDerWaalsContact C-N 3.33Å; G607-T609 PolarHBondContact O-N 3.49Å
608S36.9Very low43.5Very low110 Ų110128.7 Ų128.777%0.76978%0.78SS**  trans-66.287.6-169.849.70000111.8Q606 T610Q606-S608 PolarHBondContact O-N 3.17Å; Q606-S608 VanDerWaalsContact O-N 3.15Å; S608-T610 PolarHBondContact O-N 3.12Å
609T42Very low41.1Very low134 Ų134131.2 Ų131.282%0.82281%0.814SS**  trans-71.483.2165.639.40000108.5G607G607-T609 VanDerWaalsContact C-N 3.33Å; G607-T609 PolarHBondContact O-N 3.49Å
610T38.5Very low39Very low117 Ų117129.6 Ų129.672%0.71882%0.817SS**  trans-53.1124.9170.544.90000109S608 K612S608-T610 PolarHBondContact O-N 3.12Å; T610-K612 PolarHBondContact O-N 3.25Å
611P39.9Very low38.1Very low125 Ų125130.4 Ų130.481%0.81281%0.814SS**  trans-69.6112.2-173.125.3-32.9000109.6R613P611-R613 VanDerWaalsContact C-N 3.31Å; P611-R613 PolarHBondContact O-N 3Å
612K34.3Very low37Very low208 Ų208134.4 Ų134.490%0.90482%0.822SS**  trans-63.893.4167.8-87.9-170.7174.6-179.60109.1T610 G614T610-K612 PolarHBondContact O-N 3.25Å; K612-G614 PolarHBondContact O-N 2.86Å
613R33.5Very low36.2Very low242 Ų242128.2 Ų128.291%0.91382%0.816SS**  trans-57121.1166.9-125.9178.7-177.8177.40.5108.4P611P611-R613 VanDerWaalsContact C-N 3.31Å; P611-R613 PolarHBondContact O-N 3Å
614G33Very low35.6Very low80 Ų80125.2 Ų125.283%0.82582%0.818SS**  trans-65.2141173.900000111.1K612K612-G614 PolarHBondContact O-N 2.86Å
615G31.4Very low34.9Very low82 Ų82122.8 Ų122.885%0.84581%0.814SS**  trans-15396.7176.200000109.8
616S35.9Very low34.5Very low134 Ų134127.2 Ų127.294%0.93782%0.818SS**  trans-93.9132.5168.2-1780000108.8
617G32Very low33.9Very low73 Ų73122.7 Ų122.775%0.75382%0.819SS**  trans140.6106.7164.100000116.7
618G31.1Very low33.6Very low83 Ų83123.5 Ų123.586%0.85683%0.827SS**  trans97117.4135.100000120
619G30.4Very low33.5Very low85 Ų85127.3 Ų127.388%0.87683%0.83SS**  trans88.3119.3140.700000118.8
620G28.5Very low33Very low75 Ų75126.7 Ų126.777%0.77382%0.822SS**  trans-88-152.9159.300000111.7
621P43.1Very low32.7Very low118 Ų118127.7 Ų127.777%0.76682%0.818SS**  cis-139.5168.2341.7-24000116.9
622R32.9Very low32.4Very low255 Ų255131.1 Ų131.196%0.96282%0.821SS**  trans43.7122.8146.1-67.4175.6176.5174.2-1121.5
623G30.3Very low32.1Very low74 Ų74124.9 Ų124.976%0.76382%0.815SS**  trans-175.394154.100000111.8
624S31.2Very low32Very low125 Ų125125.6 Ų125.687%0.87482%0.818SS**  64.2122.4108.1-167.60000116.5
625G30.6Very low31.8Very low60 Ų60127.9 Ų127.962%0.61982%0.821SS**  trans-90.4-157.9172.100000114.3
626R31Very low31.7Very low257 Ų257127.6 Ų127.697%0.9782%0.819SS**  trans82.6130.6-159.5-58175.4173.4-177.6-1.7111.7
627G28.7Very low31.4Very low82 Ų82131 Ų13185%0.84582%0.82SS**  cis117.7115.6-0.500000112.6
628G29.6Very low31.2Very low74 Ų74130.9 Ų130.976%0.76382%0.818SS**  trans157154.8170.700000112.3
629K35.7Very low31.3Very low191 Ų191134.5 Ų134.583%0.8381%0.813SS**  cis-171.5166.7-19.5-134.3-178.1-179-176.90108.2
630N31.1Very low31.2Very low121 Ų121141 Ų14165%0.64781%0.811SS**  trans73.4145.9156.4-70.119.3000118
631Q33.2Very low31.2Very low137 Ų137141.5 Ų141.564%0.6482%0.816SS**  cis-168-176.7-18.5-150.11620.400110
632F31.8Very low30.5Very low198 Ų198139.9 Ų139.987%0.86882%0.82SS**  trans77.3133.4174.5-50.2-76.9000116
633G28.9Very low30.3Very low77 Ų77131.7 Ų131.779%0.79482%0.816SS**  cis-160.4162.5-3.400000112.4
634R32.4Very low30.2Very low256 Ų256131.5 Ų131.597%0.96681%0.814SS**  trans-88.6141.6179.5-78.2176.2164.2-176.7-4.7112
635S29Very low30.2Very low128 Ų128137.6 Ų137.690%0.89582%0.818SS**  -179.1154.6129.9550000112
636G28.3Very low30.1Very low77 Ų77138.6 Ų138.679%0.79483%0.828SS**  trans119.1123.5157.800000117.3
637Q30.2Very low30Very low205 Ų205130.1 Ų130.196%0.95882%0.82SS**  trans-57160173.8-65.2150.2-32.600113.9
638G28Very low30.1Very low70 Ų70136 Ų13672%0.72282%0.823SS**  cis165.6-177.2-3.600000113.9
639Q32.3Very low30.3Very low160 Ų160141.1 Ų141.175%0.74883%0.827SS**  trans62.4121.7164.6-75.5-159.25.200122.8
640R28.2Very low30Very low222 Ų222138.7 Ų138.784%0.83882%0.823SS**  80.4115.9129.6-74.2-179.7170.3-176.5-4120.9
641G28.7Very low29.8Very low85 Ų85144.5 Ų144.588%0.87684%0.836SS**  trans88.9123.6142.800000114.8
642G28.2Very low29.6Very low83 Ų83141.6 Ų141.686%0.85684%0.843SS**  cis144.5135.6-1.200000110.3
643G28.9Very low29.6Very low84 Ų84139.8 Ų139.887%0.86684%0.842SS**  trans94.888.3166.600000117
644G28.8Very low29.6Very low70 Ų70146.4 Ų146.472%0.72285%0.849SS**  105.9108.298.300000119.5
645R30.5Very low29.6Very low253 Ų253146 Ų14696%0.95585%0.848SS**  trans65.6124.9146.1-54.9175.1178.5-178.3-1.7115.7
646G28Very low29.6Very low81 Ų81143.7 Ų143.784%0.83585%0.845SS**  cis97.8127.627.400000109.6
647G29Very low29.7Very low78 Ų78143.6 Ų143.680%0.80484%0.843SS**  cis-171.6-178.7-0.100000112.4
648F31.6Very low30.2Very low207 Ų207140.1 Ų140.191%0.90884%0.838SS**  trans-81.5139.1172.7-88.3-100.9000111.8
649Q34.3Very low30.2Very low180 Ų180140 Ų14084%0.84184%0.838SS**  trans176.9151.1138.1-95.7156.123.600108.2
650N28.2Very low31.4Very low141 Ų141138.6 Ų138.675%0.75484%0.842SS**  cis-149.7167.528.4-137.3-19.4000115.4
651R27.6Very low31.4Very low243 Ų243140.1 Ų140.192%0.91785%0.848SS**  trans-78.6163170.6-68.1167.9164.6162-6.7111.7
652G28.4Very low31.3Very low76 Ų76139.9 Ų139.978%0.78485%0.845SS**  trans173.992.5157.700000115.9
653N32.1Very low31.2Very low159 Ų159139 Ų13985%0.8584%0.837SS**  trans-69.5149.8164.2-68.314.7000110.4
654F29.8Very low31.1Very low217 Ų217144.3 Ų144.395%0.95284%0.836SS**  -156.8151.4129.6-114.4-77.1000112.2
655R31.3Very low31.1Very low247 Ų247147.3 Ų147.393%0.93284%0.836SS**  trans-85.7142177.3-73.4176.5170.5175.2-4.4111.1
656G29.9Very low31.4Very low80 Ų80145.6 Ų145.683%0.82583%0.829SS**  trans171.6120.1162.200000112
657G30.6Very low31.8Very low74 Ų74147.4 Ų147.476%0.76383%0.826SS**  trans-96-172.6161.600000110.5
658P39.1Very low32.5Very low132 Ų132149.8 Ų149.886%0.85783%0.828SS**  cis-112.3-176.5-2.138.1-24.5000112.7
659G27.7Very low32.5Very low69 Ų69152 Ų15271%0.71183%0.83SS**  trans-81.9-159.2171.800000113.1
660P57.6Low32.2Very low129 Ų129147 Ų14784%0.83883%0.827SS**  cis-127.8154.7-13.439.1-24.9000113.4
661R29.2Very low32.3Very low254 Ų254149.8 Ų149.896%0.95883%0.833SS**  trans-161.2132.9161.2-116.2172.7-175171.11.6110.5
662G26.3Very low32.5Very low80 Ų80145.1 Ų145.183%0.82583%0.825SS**  trans-108.6175.1172.900000112.4
663G27.3Very low33Very low66 Ų66146.4 Ų146.468%0.6882%0.82SS**  trans124150161.300000115.8
664F26.3Very low33.2Very low194 Ų194144.6 Ų144.685%0.85182%0.817SS**  trans77.6132170.3-59.7-88000118.2
665N28.9Very low34Very low133 Ų133139.5 Ų139.571%0.71181%0.806SS**  cis-160.2169.9-25.1-136.2-4.4000112.8
666R35.4Very low34Very low218 Ų218132.8 Ų132.882%0.82380%0.803SS**  trans-60168.5175.2-59.8170.6172173-5.8114.7
667P37.7Very low33.9Very low118 Ų118138 Ų13877%0.76680%0.803SS**  -139175.5109.940-30.1000113.5
668P42.9Very low33.8Very low129 Ų129146 Ų14684%0.83881%0.81SS**  cis-119.9-165-26.128.8-7.9000112.5
669R32.6Very low33.2Very low252 Ų252143.6 Ų143.695%0.95181%0.81SS**  trans-103.7152.2-173.2-95.6-179.1168-177.3-3.4114
670G27.9Very low33.1Very low76 Ų76143.2 Ų143.278%0.78481%0.806SS**  trans138.3138.5157.900000111.4
671F28.7Very low31.9Very low199 Ų199146.8 Ų146.887%0.87381%0.809SS**  cis-151.6150.2-10.5-171.4-94.1000108.3
672L33.3Very low32.4Very low145 Ų145140 Ų14076%0.75980%0.798SS**  trans-30.1163.4-171.1-70.4163.7000123
673P38.6Very low33Very low103 Ų103147.4 Ų147.467%0.66980%0.801SS**  trans-95.4171.9-177.240.6-37.7000115.2
674P36.8Very low33.4Very low122 Ų122150.5 Ų150.579%0.79281%0.809SS**  trans-74.5167.6165.3-9.827.9000113.3
675P45.6Very low33.4Very low110 Ų110145.1 Ų145.171%0.71481%0.808SS**  trans-105.3156.1-14838.3-35.8000116.5F677P675-F677 HydrophobicContact CB-CD2 4.44Å
676A30.8Very low33.3Very low106 Ų106143.1 Ų143.188%0.87680%0.804SS**  trans-112.3121.8146.500000108.3
677F28.7Very low33Very low188 Ų188142.5 Ų142.583%0.82581%0.808SS**  trans-101.7113.7-174.5-128.2-81.3000111.1P675P675-F677 HydrophobicContact CB-CD2 4.44Å
678R27.9Very low32.4Very low242 Ų242140.3 Ų140.391%0.91381%0.807SS**  trans160.5146.5134-91178.1-177.3-161.52.8113.1
679G26.3Very low31.7Very low82 Ų82146.4 Ų146.485%0.84581%0.813SS**  trans108.454.4145.500000118.5
680G26.7Very low31.3Very low62 Ų62138.3 Ų138.364%0.63981%0.808SS**  trans-75.6176.7-175.700000119.6
681F31.1Very low31.2Very low204 Ų204138.5 Ų138.590%0.89581%0.809SS**  trans78.9158.4154.5-58.7-70000118.2
682P41.3Very low31.2Very low112 Ų112132.7 Ų132.773%0.72781%0.806SS**  -133.2175.4-85.332.5-11000114.8
683R37.1Very low31.8Very low235 Ų235132 Ų13289%0.88781%0.81SS**  trans-62.3156.4164.6-62.8175.9176.3-97-0.7110.8
684P36.4Very low31.8Very low131 Ų131134.5 Ų134.585%0.85182%0.816SS**  -147167104.637.1-22.1000115
685G26Very low32.3Very low81 Ų81134.3 Ų134.384%0.83582%0.815SS**  trans137.3131.3164.600000114
686S28.4Very low31.7Very low90 Ų90133.7 Ų133.763%0.62981%0.813SS**  trans-147.1161.4-173.2-174.10000112.1
687F27.4Very low31.7Very low206 Ų206136.7 Ų136.790%0.90481%0.814SS**  trans75121.4166.3-51.7-71.6000119.6
688G25.4Very low31.7Very low71 Ų71132.5 Ų132.573%0.73281%0.813SS**  139133.9111.500000118.7
689R27.8Very low31.7Very low258 Ų258124.1 Ų124.197%0.97480%0.803SS**  trans70.5143.9164.8-65-175.1174.7-130.3-0.8118.2
690G25.8Very low32.2Very low82 Ų82126.1 Ų126.185%0.84580%0.803SS**  trans-126.4-172.3170.200000111.2
691G25.8Very low33.4Very low79 Ų79128.6 Ų128.681%0.81481%0.808SS**  trans135121.5179.800000111.4
692G28.8Very low33.8Very low77 Ų77130.9 Ų130.979%0.79481%0.811SS**  trans-86.1-167.715600000110.3
693P44.4Very low33.1Very low130 Ų130129.1 Ų129.184%0.84481%0.814SS**  cis-127.8-169.73.538.3-19.4000114.4
694I38.9Very low32.8Very low157 Ų157121.6 Ų121.681%0.80581%0.809SS**  trans-66.9158.7179.1-10.9177.6000112.5
695P47.9Very low33.6Very low117 Ų117120.7 Ų120.776%0.7680%0.803SS**  -154.3156.479.140.1-19.4000119.9
696S32.6Very low34.1Very low97 Ų97125.3 Ų125.368%0.67881%0.805SS**  trans10.3132.3151.762.40000124.9
697L30.5Very low34.4Very low170 Ų170132.5 Ų132.589%0.8982%0.818SS**  -176.1157.9115.1-117.566.3000107.4
698A29.8Very low34.4Very low99 Ų99126.3 Ų126.382%0.81881%0.813SS**  cis-148.9177.9-13.800000106.7
699G26.4Very low34.6Very low67 Ų67126.9 Ų126.969%0.69182%0.819SS**  cis-160.2-134.3500000111.4
700S38.1Very low35Very low123 Ų123124.1 Ų124.186%0.8682%0.819SS**  trans-156.8177.1176.2-40.10000111
701P51.4Low35.3Very low114 Ų114123.7 Ų123.774%0.7482%0.815SS**  -151.2148.660.638.9-17.2000120.3
702R38.7Very low35.7Very low252 Ų252127.9 Ų127.995%0.95182%0.818SS**  trans57.7141.1144.6-68.3177.1169.6161.4-3.9121
703G28.5Very low35.8Very low76 Ų76136.1 Ų136.178%0.78483%0.825SS**  cis-177.5162.2-1.800000113.8
704G29.3Very low35Very low76 Ų76133.9 Ų133.978%0.78483%0.826SS**  trans-93.8-148.4174.700000113.3
705P53Low34.4Very low113 Ų113130.2 Ų130.273%0.73483%0.826SS**  cis-145.2151.329.140-19.6000119.9
706M36.4Very low34.2Very low178 Ų178130.6 Ų130.688%0.87783%0.829SS**  60.4153.2127.8-56.2-66.1174.400121.2
707R34.5Very low34Very low240 Ų240134.5 Ų134.591%0.90684%0.838SS**  cis-158.6145.824.6-148.6175-172.4-177.21.6106.8
708G28.8Very low34.1Very low77 Ų77133.8 Ų133.879%0.79484%0.836SS**  cis101.8136.835.700000109.9
709G29.1Very low34Very low83 Ų83141 Ų14186%0.85684%0.842SS**  cis167.3151.21.800000111.2
710M37.3Very low34Very low199 Ų199141.2 Ų141.298%0.9884%0.844SS**  trans-71165.6-168.9-134.1178.4-172.100116.7
711G31.3Very low33.5Very low74 Ų74138.8 Ų138.876%0.76384%0.839SS**  trans-168.4147.2170.300000116.1
712L33.6Very low32.6Very low166 Ų166141.8 Ų141.887%0.86984%0.842SS**  trans-123.3167-160.8-73.7156.1000116.3
713R31.1Very low32.1Very low251 Ų251137.3 Ų137.395%0.94783%0.834SS**  trans74.7111.6153.6-78.8-179.8173.3-177-1.2122.5
714G27.1Very low32.3Very low83 Ų83141.3 Ų141.386%0.85684%0.838SS**  105.185.8104.900000124.5
715G27.7Very low32.3Very low79 Ų79150 Ų15081%0.81485%0.847SS**  trans76.8170.5150.700000119.3
716P42Very low31Very low126 Ų126148.7 Ų148.782%0.81885%0.854SS**  cis-133.5178.6-3.743.4-26.5000116.8
717M28.8Very low30.7Very low178 Ų178143.8 Ų143.888%0.87785%0.849SS**  trans29.8118.4156.4-68.6-160.7-157.500124.4
718N33.6Very low30.5Very low155 Ų155141.5 Ų141.583%0.82985%0.848SS**  62.7109.6114.6-152.213.7000121.8
719R27.9Very low30.6Very low251 Ų251147.4 Ų147.495%0.94786%0.858SS**  trans-163.1140.1145.5-117.1179.6-162.3165.86.9111.9
720G26.4Very low30.8Very low72 Ų72148.5 Ų148.574%0.74285%0.853SS**  trans-108158.4173.900000113.3
721G27.7Very low30.5Very low72 Ų72150.8 Ų150.874%0.74285%0.85SS**  trans66.3122.3153.800000119.9
722Q31.4Very low30.4Very low176 Ų176151 Ų15182%0.82285%0.853SS**  178.1134104.2-98.6-171.1-20.800114.9
723M28.4Very low30.2Very low159 Ų159147 Ų14778%0.78385%0.852SS**  trans49.7121131.7-64.3-177.4174.600124.2
724N33.8Very low30.2Very low160 Ų160144.2 Ų144.286%0.85685%0.85SS**  49.2118.1127.4-79.8-1000123.1
725R27.7Very low30.3Very low258 Ų258149.8 Ų149.897%0.97486%0.856SS**  -157.7139.3122.3-86.7175.9-171.4169.22105.9
726G27.1Very low30.6Very low85 Ų85153 Ų15388%0.87685%0.854SS**  cis142.6128.3-1.600000110.1
727G29.3Very low30.1Very low75 Ų75158.8 Ų158.877%0.77386%0.86SS**  trans135.590.5166.100000119.3
728Q30.7Very low30.1Very low192 Ų192153.9 Ų153.990%0.89786%0.855SS**  trans48.2119.4133.7-63.6174.9-32.600122.9
729M31.1Very low29.9Very low201 Ų201150.5 Ų150.599%0.9986%0.857SS**  -138.9166114.3-83.5-139179.900109.6
730S33Very low29.9Very low107 Ų107142.7 Ų142.775%0.74886%0.855SS**  trans-148.3158.2-156.6-156.70000115.2
731R31.5Very low30.1Very low246 Ų246146.8 Ų146.893%0.92886%0.859SS**  trans67.5138.6168-60.1177.2173.1179.2-3.4116.5
732G28.5Very low30.3Very low80 Ų80152.7 Ų152.783%0.82587%0.87SS**  cis157.7170.210.500000109.8
733G28.7Very low30.4Very low82 Ų82151.2 Ų151.285%0.84587%0.868SS**  trans136.3108.9167.200000116.1
734Q32.5Very low30.5Very low192 Ų192154.7 Ų154.790%0.89787%0.872SS**  trans-71.8156.7171.9-63.2154.2-74.300112.4
735M29.6Very low30.2Very low199 Ų199154 Ų15498%0.9887%0.868SS**  -163.2166113.5-105.9-168.4-166.400113.3
736N32.7Very low30.3Very low147 Ų147145.5 Ų145.579%0.78685%0.854SS**  trans-134.5138.3-163173.329.6000111
737R32.6Very low30.5Very low247 Ų247148 Ų14893%0.93285%0.847SS**  trans-177122.5157.3-96.5168.2-165-160.94.5104.3
738G28.2Very low30.6Very low75 Ų75155.6 Ų155.677%0.77385%0.852SS**  cis95.7122.131.600000108.3
739G28.6Very low30.5Very low85 Ų85149.6 Ų149.688%0.87684%0.842SS**  cis-179.1-174.5-1.400000109.1
740G27.6Very low31.6Very low87 Ų87146 Ų14690%0.89783%0.834SS**  trans15679.4174.700000114.9
741N32.1Very low32.7Very low157 Ų157146.3 Ų146.384%0.8483%0.833SS**  trans-101.6125.2171.5-165.124.1000108.9
742M30.4Very low32.6Very low196 Ų196138.9 Ų138.997%0.96682%0.824SS**  trans-131124.6161.8-95.8-153.8-173.900110.1
743N35.1Very low32.7Very low145 Ų145144.2 Ų144.278%0.77583%0.827SS**  trans-124.2129.2173.1178.212.2000107.2
744R30.2Very low32.7Very low232 Ų232147.9 Ų147.988%0.87582%0.82SS**  trans-159.2121.5165.2-109.9179.8-162.2-165.85.2112.1
745N27.8Very low32.6Very low145 Ų145145 Ų14578%0.77581%0.807SS**  trans60127.6160.1-74.84.2000117.7
746A29.3Very low32.5Very low81 Ų81142.2 Ų142.267%0.66979%0.792SS**  cis66.1140.144.700000112.4
747N31.6Very low32.1Very low136 Ų136146.6 Ų146.673%0.72780%0.797SS**  cis-166.3163.227.1-153.5-10.8000111.9
748R31.8Very low31.8Very low235 Ų235138.5 Ų138.589%0.88779%0.79SS**  trans66.4149.9165.4-58.9172.2175.2169.4-3.7117.2
749G27Very low31.7Very low67 Ų67139 Ų13969%0.69180%0.796SS**  cis162.3156.3-4.100000111.7
750P55.9Low31.5Very low126 Ų126138.5 Ų138.582%0.81879%0.79SS**  trans-114.6-149.4-15741.1-24.2000110.8
751P54.7Low31.4Very low113 Ų113147 Ų14773%0.73480%0.795SS**  cis-144.8-174.2-4.340.1-18.4000118.4
752A30.4Very low31.1Very low90 Ų90143.4 Ų143.474%0.74480%0.796SS**  trans84.1128138.700000122.2
753H30.3Very low30.9Very low191 Ų191141.1 Ų141.188%0.88479%0.787SS**  -151.3165.7108.6-142.839.1000113.1
754F27.5Very low30.4Very low160 Ų160144.3 Ų144.370%0.70280%0.795SS**  trans-151.7129-162.5178.6-99.1000111.2
755Q30.4Very low30.2Very low132 Ų132136.2 Ų136.262%0.61778%0.784SS**  trans64167.9169.1-69.8-171.95.300115.7
756Q28.8Very low30.1Very low140 Ų140138.8 Ų138.865%0.65479%0.791SS**  cis-157.6152.54-137.2-177.276.600112.3
757R23.6Very low29.9Very low238 Ų238145 Ų14590%0.89880%0.803SS**  trans50.3131137.1-114.5176.9173.1-177.6-2.6125.1
758G26.1Very low29.5Very low77 Ų77145.1 Ų145.179%0.79480%0.804SS**  trans160.5128.1147.200000109.4
759G26.6Very low29.3Very low87 Ų87140 Ų14090%0.89780%0.804SS**  cis98.8116.214.700000110.9
760G25Very low29.1Very low73 Ų73142.6 Ų142.675%0.75380%0.802SS**  cis166.4173.7-7.200000112.2
761R25.7Very low27.5Very low265 Ų265147.6 Ų147.6100%181%0.806SS**  trans70.8132.7167.9-59.4-174.2175.5-160.3-1119.8
762G25.7Very low26.1Very low83 Ų83145 Ų14586%0.85680%0.8SS**  trans-172.187.3161.400000110.5
763N25.7Very low25.7Very low147 Ų147148.7 Ų148.779%0.78681%0.807SS**  trans-120.2112.8-173.9173.390.4000111.4
764F25.3Very low25.4Very low212 Ų212147 Ų14793%0.9380%0.804SS**  trans-137.1140.9158.5-84.3-95.4000106.3
765G24.8Very low25.2Very low62 Ų62150.9 Ų150.964%0.63981%0.814SS**  cis133.581.916.400000107.4
766Q26.2Very low24.9Very low199 Ų199152.5 Ų152.593%0.9383%0.827SS**  trans-57.3138.9-174.9-70.2174.5-23.700111.9
767K25.3Very low24.7Very low211 Ų211151.4 Ų151.492%0.91784%0.835SS**  trans-115.6118.8149.5-91.5-171.7176179.60109.8
768N23.7Very low24.7Very low140 Ų140142.8 Ų142.875%0.74982%0.82SS**  trans-74.2140.2173.9-171.616.7000109.4
769S26Very low24.7Very low128 Ų128142.6 Ų142.690%0.89582%0.819SS**  trans-139.7119.3156.5-153.70000107.7
770N23Very low24.6Very low120 Ų120148 Ų14864%0.64282%0.818SS**  trans-127.4119.7-163.6173.364.6000108.9
771Y23.5Very low24.6Very low231 Ų231147.8 Ų147.891%0.90682%0.816SS**  trans-131127.3154.7-108.9-90.5000108
772G23.6Very low24.8Very low58 Ų58142.9 Ų142.960%0.59881%0.809SS**  trans-66.4170.3174.200000111.5
773N22.8Very low24.9Very low168 Ų168149.8 Ų149.890%0.89881%0.81SS**  -155.8170.154.4-144.2-3.6000115
774N23.6Very low25.1Very low155 Ų155148.4 Ų148.483%0.82980%0.802SS**  trans78123.8168.5-133.56.5000118
775R23.8Very low25.5Very low242 Ų242141.9 Ų141.991%0.91380%0.795SS**  trans-105.2125.4-178-69173.5173.9167.2-2.6109.5
776N23.9Very low25.8Very low167 Ų167146.3 Ų146.389%0.89380%0.8SS**  trans-135103.9145.2-164.414.6000108.5
777S24.6Very low26Very low116 Ų116141.9 Ų141.981%0.81178%0.783SS**  trans-121.984.9178.7-175.10000108.5G779S777-G779 PolarHBondContact O-N 3.22Å; S777-G779 VanDerWaalsContact O-N 3.17Å
778G24.2Very low26.4Very low57 Ų57139.7 Ų139.759%0.58877%0.774SS**  trans-75.492170.500000110F780G778-F780 PolarHBondContact O-N 3.2Å
779G24.9Very low26.8Very low74 Ų74136.2 Ų136.276%0.76377%0.765SS**  trans-7587.1169.800000111.2S777S777-G779 PolarHBondContact O-N 3.22Å; S777-G779 VanDerWaalsContact O-N 3.17Å
780F24.7Very low27Very low199 Ų199135.9 Ų135.987%0.87375%0.749SS**  trans-90.6101.3170.1-82.8-81000111G778 N782G778-F780 PolarHBondContact O-N 3.2Å; F780-N782 PolarHBondContact O-N 3.24Å
781G26.4Very low27.3Very low69 Ų69132.8 Ų132.871%0.71174%0.74SS**  trans-65.4119.7167.100000109.9R783G781-R783 PolarHBondContact O-N 2.59Å
782N28.9Very low27.7Very low162 Ų162127 Ų12787%0.86672%0.72SS**  trans-7296.7-175.5-163.43.4000110.8F780F780-N782 PolarHBondContact O-N 3.24Å
783R29.1Very low28.2Very low229 Ų229128.6 Ų128.686%0.86472%0.715SS**  trans-139.152.1-174.4-159.5-169.1-157.6-165.96111.6G781G781-R783 PolarHBondContact O-N 2.59Å
784N29.9Very low28.5Very low118 Ų118126.2 Ų126.263%0.63170%0.698SS**  trans-144.322.6-179.2-103-5.8000115.1
785G32.3Very low28.9Very low75 Ų75122.3 Ų122.377%0.77368%0.683SS**SBendtrans-85.4-10.6176.700000115.7
786M31.6Very low29.4Very low154 Ų154113.6 Ų113.676%0.75965%0.65SS**SBendtrans-104.1-32.7-165.4-153.9153.7-179.100113.9
787D29.7Very low29.9Very low106 Ų106111.2 Ų111.257%0.56763%0.634SS**Hα-helixtrans-80.1-28.8-178.4-63.6-47.4000113.1A789 Q790 A791D787-A789 PolarHBondContact O-N 2.83Å; D787-Q790 PolarHBondContact O-N 3.19Å; D787-A791 PolarHBondContact O-N 3.15Å
788K33.9Very low30.3Very low165 Ų165111.5 Ų111.572%0.71762%0.622SS**Hα-helixtrans-64.6-36.1-179.3-75.7-168173.2-168.90113.5A791 F792K788-A791 PolarHBondContact O-N 3.05Å; K788-F792 WeakPolarHBondContact O-CB 3.49Å; K788-F792 PolarHBondContact O-N 2.95Å
789A31.9Very low30.7Very low68 Ų68110.7 Ų110.756%0.56261%0.613SS**Hα-helixtrans-70-31.2176.900000112.8D787 N793D787-A789 PolarHBondContact O-N 2.83Å; A789-N793 PolarHBondContact O-N 2.87Å
790Q30.7Very low31.4Very low121 Ų121110.5 Ų110.557%0.56559%0.592SS**Hα-helixtrans-77.1-35172.7-70.4-166.5-79.700112.2D787 N793 Q794D787-Q790 PolarHBondContact O-N 3.19Å; Q790-N793 PolarHBondContact O-N 3.16Å; Q790-Q794 WeakPolarHBondContact O-CG 3.06Å; Q790-Q794 PolarHBondContact O-N 2.93Å; Q790-Q794 VanDerWaalsContact O-N 3.15Å
791A29.2Very low32Very low55 Ų55107.7 Ų107.746%0.45558%0.576SS.*Hα-helixtrans-64.6-41.2172.300000112D787 K788 Q794 S795D787-A791 PolarHBondContact O-N 3.15Å; K788-A791 PolarHBondContact O-N 3.05Å; A791-Q794 PolarHBondContact O-N 3.15Å; A791-S795 PolarHBondContact O-N 3.38Å
792F32.1Very low32.1Very low108 Ų108109.9 Ų109.947%0.47457%0.571SS.*Hα-helixtrans-59.8-46.1174.2179-98.4000112.3K788 Q794 S795 W796K788-F792 WeakPolarHBondContact O-CB 3.49Å; K788-F792 PolarHBondContact O-N 2.95Å; F792-Q794 VanDerWaalsContact C-N 3.28Å; F792-Q794 PolarHBondContact O-N 2.98Å; F792-S795 PolarHBondContact O-N 3Å; F792-S795 PolarHBondContact O-OG 3.39Å; F792-S795 VanDerWaalsContact O-OG 3.08Å; F792-W796 AromaticContact CZ-CD1 3.89Å; F792-W796 WeakPolarHBondContact O-CB 3.37Å; F792-W796 PolarHBondContact O-N 2.77Å
793N33.1Very low32.2Very low93 Ų93109.9 Ų109.950%0.49757%0.566SS.*Hα-helixtrans-64.7-33.7178.3-157.9-33.4000111.9A789 Q790 Q797A789-N793 PolarHBondContact O-N 2.87Å; Q790-N793 PolarHBondContact O-N 3.16Å; N793-Q797 WeakPolarHBondContact O-CG 3.32Å; N793-Q797 PolarHBondContact O-N 2.75Å; N793-Q797 VanDerWaalsContact O-N 3.17Å; N793-Q797 PolarHBondContact OD1-NE2 2.96Å
794Q30.5Very low32.1Very low118 Ų118107.6 Ų107.655%0.55156%0.562SS**Hα-helixtrans-73.5-38.5174.7-71.9174.646.400113.2Q790 A791 F792 Q798Q790-Q794 WeakPolarHBondContact O-CG 3.06Å; Q790-Q794 PolarHBondContact O-N 2.93Å; Q790-Q794 VanDerWaalsContact O-N 3.15Å; A791-Q794 PolarHBondContact O-N 3.15Å; F792-Q794 VanDerWaalsContact C-N 3.28Å; F792-Q794 PolarHBondContact O-N 2.98Å; Q794-Q798 PolarHBondContact O-N 3.32Å
795S31.9Very low31.9Very low73 Ų73107.4 Ų107.451%0.5157%0.567SS.*Hα-helixtrans-70.3-33.617568.50000112A791 F792 Q798 G799A791-S795 PolarHBondContact O-N 3.38Å; F792-S795 PolarHBondContact O-N 3Å; F792-S795 PolarHBondContact O-OG 3.39Å; F792-S795 VanDerWaalsContact O-OG 3.08Å; S795-Q798 PolarHBondContact O-N 3.16Å; S795-G799 PolarHBondContact O-N 3.1Å
796W34.7Very low31.8Very low58 Ų58115.5 Ų115.522%0.2258%0.575CS.*Hα-helixtrans-64.6-46.2174.2-134.787.9000111.6M234 F792 Q798 G799 F800M234-W796 HydrophobicContact CE-CH2 3.97Å; M234-W796 HydrophobicContact CE-CZ2 3.4Å; F792-W796 AromaticContact CZ-CD1 3.89Å; F792-W796 WeakPolarHBondContact O-CB 3.37Å; F792-W796 PolarHBondContact O-N 2.77Å; W796-Q798 VanDerWaalsContact C-N 3.29Å; W796-Q798 PolarHBondContact O-N 3.16Å; W796-G799 PolarHBondContact O-N 2.69Å; W796-F800 HydrophobicContact CE3-CB 4.15Å; W796-F800 HydrophobicContact CE3-CD2 4.39Å; W796-F800 HydrophobicContact CE3-CG 4.27Å; W796-F800 HydrophobicContact CH2-CD2 4.04Å; W796-F800 HydrophobicContact CH2-CE2 4.19Å; W796-F800 HydrophobicContact CZ3-CB 4.32Å; W796-F800 HydrophobicContact CZ3-CD1 4.42Å; W796-F800 AromaticContact CZ3-CD2 3.76Å; W796-F800 HydrophobicContact CZ3-CD2 3.76Å; W796-F800 HydrophobicContact CZ3-CE2 4.12Å; W796-F800 AromaticContact CZ3-CG 3.93Å; W796-F800 HydrophobicContact CZ3-CG 3.93Å; W796-F800 WeakPolarHBondContact O-CB 3.38Å; W796-F800 PolarHBondContact O-N 2.84Å
797Q33.8Very low31.9Very low117 Ų117112.6 Ų112.655%0.54757%0.569SS.*Hα-helixtrans-62.3-33.4176.6-73.3176.930.400113N793N793-Q797 WeakPolarHBondContact O-CG 3.32Å; N793-Q797 PolarHBondContact O-N 2.75Å; N793-Q797 VanDerWaalsContact O-N 3.17Å; N793-Q797 PolarHBondContact OD1-NE2 2.96Å
798Q33.3Very low31.8Very low123 Ų123115.4 Ų115.458%0.57558%0.579SS**Hα-helixtrans-84.4-35.9175.9-65.2-163.130.600113.3Q794 S795 W796 N802Q794-Q798 PolarHBondContact O-N 3.32Å; S795-Q798 PolarHBondContact O-N 3.16Å; W796-Q798 VanDerWaalsContact C-N 3.29Å; W796-Q798 PolarHBondContact O-N 3.16Å; Q798-N802 WeakPolarHBondContact O-CA 3.35Å; Q798-N802 WeakPolarHBondContact O-CB 3.04Å; Q798-N802 PolarHBondContact O-N 3.24Å
799G33.1Very low31.5Very low39 Ų39115.2 Ų115.240%0.40258%0.581SS.*Hα-helixtrans-75.9-30.3-179.200000114.4S795 W796 Q803S795-G799 PolarHBondContact O-N 3.1Å; W796-G799 PolarHBondContact O-N 2.69Å; G799-Q803 PolarHBondContact O-NE2 2.85Å
800F38.6Very low31.3Very low71 Ų71123.2 Ų123.231%0.31160%0.598SS.*Hα-helixtrans-76.4-26.3177.4-169.8-103.6000112.5M234 W796M234-F800 HydrophobicContact CE-CD2 4.4Å; W796-F800 HydrophobicContact CE3-CB 4.15Å; W796-F800 HydrophobicContact CE3-CD2 4.39Å; W796-F800 HydrophobicContact CE3-CG 4.27Å; W796-F800 HydrophobicContact CH2-CD2 4.04Å; W796-F800 HydrophobicContact CH2-CE2 4.19Å; W796-F800 HydrophobicContact CZ3-CB 4.32Å; W796-F800 HydrophobicContact CZ3-CD1 4.42Å; W796-F800 AromaticContact CZ3-CD2 3.76Å; W796-F800 HydrophobicContact CZ3-CD2 3.76Å; W796-F800 HydrophobicContact CZ3-CE2 4.12Å; W796-F800 AromaticContact CZ3-CG 3.93Å; W796-F800 HydrophobicContact CZ3-CG 3.93Å; W796-F800 WeakPolarHBondContact O-CB 3.38Å; W796-F800 PolarHBondContact O-N 2.84Å
801W37.1Very low31Very low140 Ų140124.9 Ų124.953%0.5361%0.606SS.*Hα-helixtrans-120.6-23.9-173.9-63.6124.6000116.9E199E199-W801 HydrophobicContact CG-CH2 4.38Å; E199-W801 HydrophobicContact CG-CZ2 4.17Å; E199-W801 WeakPolarHBondContact OE1-CZ2 3.43Å; E199-W801 WeakPolarHBondContact OE2-CH2 3.34Å
802N28.8Very low31.2Very low115 Ų115128 Ų12862%0.61562%0.622SS**  trans-94.512178.9-70-24.8000114.4Q798 K804Q798-N802 WeakPolarHBondContact O-CA 3.35Å; Q798-N802 WeakPolarHBondContact O-CB 3.04Å; Q798-N802 PolarHBondContact O-N 3.24Å; N802-K804 PolarHBondContact O-N 3.05Å; N802-K804 VanDerWaalsContact O-N 3.15Å
803Q32Very low30.9Very low162 Ų162126 Ų12676%0.75763%0.631SS**SBendtrans-68.1114.4162.2-71.2-165.555.900108G799G799-Q803 PolarHBondContact O-NE2 2.85Å
804K25.6Very low30.5Very low181 Ų181132.2 Ų132.279%0.78765%0.649SS**  trans-52.9143.3-176.6-68.1178.8178.2177.50110.1N802 W806N802-K804 PolarHBondContact O-N 3.05Å; N802-K804 VanDerWaalsContact O-N 3.15Å; K804-W806 PolarHBondContact O-N 2.86Å
805P26.7Very low30.7Very low113 Ų113141 Ų14173%0.73468%0.679SS**  trans-56.5131.1168.125.9-33.4000108.9S807P805-S807 PolarHBondContact O-N 3.15Å
806W30.1Very low30.6Very low246 Ų246144.4 Ų144.493%0.93269%0.688SS**  trans-73.383.3172.5-94.580.7000109.2K804K804-W806 PolarHBondContact O-N 2.86Å
807S32.9Very low30.4Very low93 Ų93148.9 Ų148.965%0.6571%0.712SS**  trans-119.188.7164.2650000108.6P805P805-S807 PolarHBondContact O-N 3.15Å
808Q28.2Very low30.2Very low164 Ų164150.7 Ų150.777%0.76672%0.722SS**  trans-113.488.5163.6-76-159.931.700110.3Y810Q808-Y810 PolarHBondContact O-N 3.06Å
809Q26.3Very low30.1Very low162 Ų162152.3 Ų152.376%0.75773%0.73SS**  trans24.793.7137.8-62.7173.6-74.100116.6Q811Q809-Q811 PolarHBondContact O-N 3.17Å
810Y28.3Very low29.9Very low235 Ų235159.4 Ų159.492%0.92275%0.751SS**PPolyproline II helixtrans-61118.4143.9-83-91.2000108.5Q808Q808-Y810 PolarHBondContact O-N 3.06Å
811Q25.2Very low29.3Very low156 Ų156165.3 Ų165.373%0.72978%0.78SS**PPolyproline II helixtrans-80.9125.9163.7-77.1-78.3-8.700108.2Q809 G813Q809-Q811 PolarHBondContact O-N 3.17Å; Q811-G813 PolarHBondContact O-N 3.41Å
812P32.8Very low28.7Very low122 Ų122167.1 Ų167.179%0.79280%0.798SS**PPolyproline II helixtrans-81120.6177.530.6-31.8000111.5
813G25.3Very low28.7Very low65 Ų65171.1 Ų171.167%0.6781%0.812SS**  trans99.2119.2161.300000116.1Q811Q811-G813 PolarHBondContact O-N 3.41Å
814Y25.8Very low28.5Very low224 Ų224171.8 Ų171.888%0.87882%0.816SS**  -175.3115.1107.5-102.7-75.5000109
815Y34.3Very low28.7Very low301 Ų301171 Ų171100%1.1882%0.819SS**  trans41.30170.9-81.6-80.7000119

Retrieved 815 of 815 residues in 446.9 ms (Link to these results)

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