A0A087XJS3_POEFO Loading...

Fibroblast growth factor receptor substrate 2b

AlphaFold DB , UniProt , Accession A0A087XJS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 533 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
1M45.6Very low42.2Very low255 Ų255141 Ų141100%1.25682%0.817SS**  0105.70-71.5-166.2176.200107.7
2G40.3Very low43.4Very low72 Ų72137.3 Ų137.374%0.74281%0.805SS**  trans-139.189.6172.300000106.2C4G2-C4 PolarHBondContact O-N 3.15Å
3S41Very low44.8Very low115 Ų115128.8 Ų128.880%0.80476%0.756SS**  trans-80.4105.3176.9-163.90000107.2L5S3-L5 PolarHBondContact O-N 3.34Å; S3-L5 VanDerWaalsContact O-N 3.15Å
4C38Very low46.2Very low113 Ų113125.2 Ų125.276%0.76474%0.738SS**  trans-62.9109.5167.9-27.70000106.6G2 S6G2-C4 PolarHBondContact O-N 3.15Å; C4-S6 PolarHBondContact O-N 3.38Å; C4-S6 VanDerWaalsContact O-N 3.12Å
5L41.5Very low47.1Very low166 Ų166123.8 Ų123.887%0.86973%0.726SS**  trans-72.6102.2165.5-75.4162.7000106.4S3 C7S3-L5 PolarHBondContact O-N 3.34Å; S3-L5 VanDerWaalsContact O-N 3.15Å; L5-C7 PolarHBondContact O-N 3.3Å
6S41.2Very low48.3Very low111 Ų111124.6 Ų124.678%0.77673%0.726SS**  trans-48.4123.1168.6-41.90000109C4C4-S6 PolarHBondContact O-N 3.38Å; C4-S6 VanDerWaalsContact O-N 3.12Å
7C35.5Very low49.9Very low112 Ų112120.5 Ų120.576%0.75770%0.698SS**  trans-49.7134.6160.6-58.50000107.6L5 E9L5-C7 PolarHBondContact O-N 3.3Å; C7-E9 PolarHBondContact O-N 3.12Å
8P46.8Very low51.6Low127 Ų127123.1 Ų123.183%0.82570%0.703SS**  trans-60.2113.1169.925.6-29.9000106.2K10P8-K10 PolarHBondContact O-N 3.27Å
9E38.2Very low53.4Low171 Ų171118.2 Ų118.280%0.79968%0.677SS**  trans-46.4127.7175.5-165.2170.4143.500107.8C7 E11C7-E9 PolarHBondContact O-N 3.12Å; E9-E11 PolarHBondContact O-N 3.3Å
10K48.1Very low55.3Low163 Ų163114.3 Ų114.371%0.70965%0.652SS**  trans-53.695.6172.4-172177.5-174.8-178.90106.2P8 S12 H50P8-K10 PolarHBondContact O-N 3.27Å; K10-S12 VanDerWaalsContact C-N 3.28Å; K10-S12 PolarHBondContact O-N 3.23Å; K10-H50 PolarHBondContact NZ-NE2 2.75Å; K10-H50 VanDerWaalsContact NZ-NE2 3.19Å
11E48.6Very low57.1Low146 Ų146108.9 Ų108.968%0.68262%0.621SS**  trans-58.193.4-170.6-169.1-179.9154.200107.6E9 V13E9-E11 PolarHBondContact O-N 3.3Å; E11-V13 PolarHBondContact O-N 2.9Å
12S56.6Low59.4Low96 Ų96102.2 Ų102.267%0.67159%0.585SS**  trans-70.790.5176.154.90000104.8K10 P14K10-S12 VanDerWaalsContact C-N 3.28Å; K10-S12 PolarHBondContact O-N 3.23Å; S12-P14 WeakPolarHBondContact O-CD 3.39Å
13V60.8Low62Low28 Ų2898.8 Ų98.817%0.1755%0.55CS..  trans-47.1116.9177.6176.50000106.5E11 D15 H17 K20E11-V13 PolarHBondContact O-N 2.9Å; V13-D15 PolarHBondContact O-N 3.32Å; V13-H17 HydrophobicContact CG1-CB 3.67Å; V13-K20 HydrophobicContact CG1-CB 3.68Å; V13-K20 HydrophobicContact CG1-CD 3.85Å; V13-K20 HydrophobicContact CG1-CG 4.38Å; V13-K20 HydrophobicContact CG2-CD 3.91Å
14P64.3Low64.5Low78 Ų7895.6 Ų95.651%0.50652%0.523SS..  trans-55.2138.4179.721-31.4000107.6S12 N16 H17S12-P14 WeakPolarHBondContact O-CD 3.39Å; P14-N16 CarbonylContact O-C 3.58Å; P14-N16 PolarHBondContact O-N 2.99Å; P14-H17 PolarHBondContact O-N 3.31Å
15D59.7Low67.2Low104 Ų10491.9 Ų91.956%0.55650%0.496SS*.THydrogen-bonded Turntrans-53.3-22-177.9-156.6-112.4000112.6V13 K22 R93V13-D15 PolarHBondContact O-N 3.32Å; D15-K22 WeakPolarHBondContact OD2-CD 3.39Å; D15-K22 WeakPolarHBondContact OD2-CE 3.46Å; D15-K22 IonicContact OD2-NZ 3.82Å; D15-K22 PolarHBondContact OD2-NZ 3Å; D15-R93 PolarHBondContact O-NH1 3.46Å
16N66Low69.7Low137 Ų13784.8 Ų84.873%0.73346%0.459SS*.THydrogen-bonded Turntrans-107.751.2176.1-156.2-50.1000112.2P14P14-N16 CarbonylContact O-C 3.58Å; P14-N16 PolarHBondContact O-N 2.99Å
17H76Confident72.1Confident54 Ų5481.7 Ų81.725%0.2543%0.434CS..  trans-81.3138.6166.3-153.1-78.3000108.9V13 P14 S19 K20 R93V13-H17 HydrophobicContact CG1-CB 3.67Å; P14-H17 PolarHBondContact O-N 3.31Å; H17-S19 PolarHBondContact CE1-OG 3.46Å; H17-S19 PolarHBondContact ND1-OG 2.76Å; H17-K20 HydrophobicContact CB-CB 3.8Å; H17-K20 HydrophobicContact CB-CG 4.49Å; H17-R93 PolarHBondContact O-NH1 2.73Å; H17-R93 PolarHBondContact O-NH2 2.72Å
18Q81.2Confident74.7Confident167 Ų16784.3 Ų84.378%0.7844%0.44SS*.SBendtrans-68.2-38.1-176.3-168.4170.713.500111.8F21 M100Q18-F21 WeakPolarHBondContact O-CZ 3.29Å; Q18-M100 VanDerWaalsContact O-CE 3.26Å; Q18-M100 WeakPolarHBondContact O-CE 3.37Å
19S85.9Confident76.8Confident31 Ų3184 Ų8422%0.21743%0.432CS..SBendtrans-105.7-5.3-178.558.70000115.6H17 E39 L40H17-S19 PolarHBondContact CE1-OG 3.46Å; H17-S19 PolarHBondContact ND1-OG 2.76Å; S19-E39 WeakPolarHBondContact O-CA 3.48Å; S19-L40 PolarHBondContact O-N 2.74Å
20K91.6Very high79Confident39 Ų3978 Ų7817%0.1742%0.417CS..EExtended strand (participates in β ladder)trans-123.8131.5-175.8-55.8-177.5-170.5-125.70111V13 H17 V37 M38 E39V13-K20 HydrophobicContact CG1-CB 3.68Å; V13-K20 HydrophobicContact CG1-CD 3.85Å; V13-K20 HydrophobicContact CG1-CG 4.38Å; V13-K20 HydrophobicContact CG2-CD 3.91Å; H17-K20 HydrophobicContact CB-CB 3.8Å; H17-K20 HydrophobicContact CB-CG 4.49Å; K20-V37 HydrophobicContact CB-CG1 3.84Å; K20-M38 CarbonylContact C-O 3.56Å; K20-M38 VanDerWaalsContact CA-O 3.3Å; K20-M38 WeakPolarHBondContact CA-O 3.19Å; K20-E39 VanDerWaalsContact CE-CD 3.46Å; K20-E39 WeakPolarHBondContact CE-OE1 3.47Å; K20-E39 VanDerWaalsContact CE-OE2 3.26Å; K20-E39 WeakPolarHBondContact CE-OE2 3.3Å; K20-E39 HydrophobicContact CG-CB 4.07Å; K20-E39 HydrophobicContact CG-CG 3.93Å; K20-E39 VanDerWaalsContact NZ-CD 3.28Å; K20-E39 IonicContact NZ-OE1 3Å; K20-E39 PolarHBondContact NZ-OE1 3.1Å; K20-E39 IonicContact NZ-OE2 3.23Å; K20-E39 PolarHBondContact NZ-OE2 3.23Å
21F92.6Very high81.1Confident1 Ų174.8 Ų74.80%0.00441%0.407CS..EExtended strand (participates in β ladder)trans-132133.4-172.1-55.3-92.9000110.4Q18 V23 V37 M38 L40 R93 E96 I97 M100Q18-F21 WeakPolarHBondContact O-CZ 3.29Å; F21-V23 HydrophobicContact CB-CG1 4.41Å; F21-V23 PolarHBondContact O-N 3.19Å; F21-V37 CarbonylContact O-C 3.59Å; F21-V37 WeakPolarHBondContact O-CA 3.43Å; F21-M38 PolarHBondContact N-O 3.33Å; F21-M38 PolarHBondContact O-N 3.23Å; F21-L40 HydrophobicContact CD2-CD1 3.93Å; F21-L40 HydrophobicContact CE2-CD1 3.8Å; F21-R93 HydrophobicContact CD1-CB 3.69Å; F21-R93 HydrophobicContact CE1-CB 4.1Å; F21-E96 HydrophobicContact CE1-CB 3.68Å; F21-E96 HydrophobicContact CZ-CB 4.15Å; F21-I97 HydrophobicContact CB-CD1 3.71Å; F21-I97 HydrophobicContact CB-CG1 3.97Å; F21-I97 HydrophobicContact CD1-CD1 4.3Å; F21-I97 HydrophobicContact CD1-CG1 3.74Å; F21-I97 HydrophobicContact CD2-CD1 4.1Å; F21-I97 HydrophobicContact CD2-CG1 3.45Å; F21-I97 VanDerWaalsContact CD2-CG1 3.45Å; F21-I97 HydrophobicContact CE1-CG1 4.03Å; F21-I97 HydrophobicContact CE2-CG1 3.79Å; F21-I97 HydrophobicContact CG-CD1 3.78Å; F21-I97 HydrophobicContact CG-CG1 3.43Å; F21-I97 VanDerWaalsContact CG-CG1 3.43Å; F21-I97 HydrophobicContact CZ-CG1 4.06Å; F21-M100 HydrophobicContact CE2-CE 3.25Å; F21-M100 HydrophobicContact CZ-CE 3.44Å; F21-M100 VanDerWaalsContact CZ-CE 3.44Å
22K93.2Very high83.2Confident115 Ų11573.1 Ų73.150%0.540%0.399SS..EExtended strand (participates in β ladder)trans-73.2125.6171.8-67.9177-171.5159.30109D15 C91D15-K22 WeakPolarHBondContact OD2-CD 3.39Å; D15-K22 WeakPolarHBondContact OD2-CE 3.46Å; D15-K22 IonicContact OD2-NZ 3.82Å; D15-K22 PolarHBondContact OD2-NZ 3Å; K22-C91 PolarHBondContact O-SG 3.48Å
23V94.6Very high84.7Confident1 Ų173.6 Ų73.61%0.00639%0.394CS..EExtended strand (participates in β ladder)trans-130.8153.3-177.9-60.40000110.7F21 S35 G36 M38 L47 F89 K90 C91 I97F21-V23 HydrophobicContact CB-CG1 4.41Å; F21-V23 PolarHBondContact O-N 3.19Å; V23-S35 CarbonylContact O-C 3.59Å; V23-S35 WeakPolarHBondContact O-CA 3.33Å; V23-G36 PolarHBondContact N-O 3.42Å; V23-G36 PolarHBondContact O-N 2.64Å; V23-M38 HydrophobicContact CB-CB 4.43Å; V23-M38 HydrophobicContact CG1-CB 3.6Å; V23-M38 HydrophobicContact CG2-CB 3.91Å; V23-L47 HydrophobicContact CG2-CD1 3.55Å; V23-F89 HydrophobicContact CB-CB 4.05Å; V23-F89 HydrophobicContact CB-CD1 4.19Å; V23-F89 HydrophobicContact CB-CG 4.41Å; V23-F89 HydrophobicContact CG1-CB 4.39Å; V23-F89 HydrophobicContact CG2-CD1 3.87Å; V23-F89 HydrophobicContact CG2-CE1 4.49Å; V23-F89 HydrophobicContact CG2-CG 4.43Å; V23-K90 CarbonylContact C-O 3.6Å; V23-K90 WeakPolarHBondContact CA-O 3.34Å; V23-C91 HydrophobicContact CG1-CB 3.94Å; V23-I97 HydrophobicContact CG1-CD1 4.09Å
24I95.1Very high86.1Confident48 Ų4874 Ų7425%0.24640%0.404CS..EExtended strand (participates in β ladder)trans-119.5119.1173.5-56.7168.7000107.5V26 E32 G34 F89 K90I24-V26 PolarHBondContact O-N 2.96Å; I24-E32 HydrophobicContact CG2-CB 3.73Å; I24-E32 HydrophobicContact CG2-CG 3.79Å; I24-G34 CarbonylContact C-O 3.52Å; I24-G34 WeakPolarHBondContact CA-O 3.49Å; I24-F89 CarbonylContact O-C 3.59Å; I24-F89 VanDerWaalsContact O-CA 3.27Å; I24-F89 WeakPolarHBondContact O-CA 3.46Å; I24-K90 HydrophobicContact CB-CB 4.27Å; I24-K90 PolarHBondContact N-O 2.65Å; I24-K90 PolarHBondContact O-N 3.31Å
25N93.9Very high87.5Confident35 Ų3574.5 Ų74.519%0.18741%0.409CS..EExtended strand (participates in β ladder)trans-66.5130.8175.2-172.6-4.3000109.3L33 G34 F89N25-L33 HydrophobicContact CB-CB 4.36Å; N25-L33 PolarHBondContact O-N 3.03Å; N25-G34 PolarHBondContact N-O 2.82Å; N25-F89 HydrophobicContact CB-CD1 4.15Å; N25-F89 HydrophobicContact CB-CE1 3.9Å
26V94.5Very high89Confident16 Ų1670.1 Ų70.110%0.09739%0.389CS..EExtended strand (participates in β ladder)trans-118.4147.1177.6-610000111.1I24 N31 E32 L71 A88 K90I24-V26 PolarHBondContact O-N 2.96Å; V26-N31 CarbonylContact C-O 3.49Å; V26-N31 VanDerWaalsContact CA-O 3.23Å; V26-N31 WeakPolarHBondContact CA-O 3.38Å; V26-E32 HydrophobicContact CG1-CG 4.47Å; V26-L71 HydrophobicContact CG2-CD1 3.88Å; V26-A88 HydrophobicContact CG2-CB 3.61Å; V26-A88 WeakPolarHBondContact CG2-O 3.45Å; V26-A88 PolarHBondContact N-O 2.86Å; V26-A88 VanDerWaalsContact N-O 3.07Å; V26-K90 HydrophobicContact CG1-CB 4.11Å
27D91.7Very high90.3Very high46 Ų4665.1 Ų65.125%0.24636%0.363CS..  trans-81.8179.7173.467.415.2000112.6D29 G30 N31 L33D27-D29 PolarHBondContact O-N 3.18Å; D27-D29 VanDerWaalsContact OD1-C 3.27Å; D27-D29 WeakPolarHBondContact OD1-CA 3.1Å; D27-D29 WeakPolarHBondContact OD1-CB 3.46Å; D27-D29 PolarHBondContact OD1-N 3.05Å; D27-G30 PolarHBondContact O-N 2.98Å; D27-G30 PolarHBondContact OD1-N 3.41Å; D27-N31 PolarHBondContact N-O 3.3Å; D27-N31 PolarHBondContact OD1-N 2.99Å; D27-N31 PolarHBondContact OD1-ND2 2.85Å; D27-N31 WeakPolarHBondContact OD2-CB 3.26Å; D27-N31 PolarHBondContact OD2-ND2 2.82Å; D27-L33 HydrophobicContact CB-CD1 3.94Å; D27-L33 HydrophobicContact CB-CD2 4.13Å; D27-L33 HydrophobicContact CB-CG 4.07Å
28D90.1Very high91.3Very high167 Ų16762.5 Ų62.589%0.89335%0.351SS*.THydrogen-bonded Turntrans-61.8-23.3177.4-62.4-53.8000113
29D89.6Confident91.9Very high120 Ų12056.3 Ų56.364%0.64232%0.322SS*.THydrogen-bonded Turntrans-89.5-3.8176.6-63.7-65.9000111.8D27 N31D27-D29 PolarHBondContact O-N 3.18Å; D27-D29 VanDerWaalsContact OD1-C 3.27Å; D27-D29 WeakPolarHBondContact OD1-CA 3.1Å; D27-D29 WeakPolarHBondContact OD1-CB 3.46Å; D27-D29 PolarHBondContact OD1-N 3.05Å; D29-N31 WeakPolarHBondContact CB-ND2 3.42Å
30G85.9Confident92.2Very high47 Ų4755.2 Ų55.249%0.48531%0.314SS..  trans84.18.1-17900000115.2D27D27-G30 PolarHBondContact O-N 2.98Å; D27-G30 PolarHBondContact OD1-N 3.41Å
31N91.6Very high92.2Very high94 Ų9455.2 Ų55.250%0.50332%0.317SS..  trans-75.6142.8178.7-50.8-63.2000111.5V26 D27 D29 L33V26-N31 CarbonylContact C-O 3.49Å; V26-N31 VanDerWaalsContact CA-O 3.23Å; V26-N31 WeakPolarHBondContact CA-O 3.38Å; D27-N31 PolarHBondContact N-O 3.3Å; D27-N31 PolarHBondContact OD1-N 2.99Å; D27-N31 PolarHBondContact OD1-ND2 2.85Å; D27-N31 WeakPolarHBondContact OD2-CB 3.26Å; D27-N31 PolarHBondContact OD2-ND2 2.82Å; D29-N31 WeakPolarHBondContact CB-ND2 3.42Å; N31-L33 PolarHBondContact O-N 3.34Å
32E93Very high92Very high112 Ų11262.8 Ų62.852%0.52335%0.352SS..EExtended strand (participates in β ladder)trans-76.3109.5-178.5-61.6-177.5172.600111I24 V26 K90I24-E32 HydrophobicContact CG2-CB 3.73Å; I24-E32 HydrophobicContact CG2-CG 3.79Å; V26-E32 HydrophobicContact CG1-CG 4.47Å; E32-K90 IonicContact OE1-NZ 3.57Å; E32-K90 PolarHBondContact OE1-NZ 2.81Å
33L88.1Confident91.7Very high106 Ų10661.1 Ų61.156%0.55536%0.355SS*.EExtended strand (participates in β ladder)trans-84-26.2-179.8-64.2178.2000113N25 D27 N31N25-L33 HydrophobicContact CB-CB 4.36Å; N25-L33 PolarHBondContact O-N 3.03Å; D27-L33 HydrophobicContact CB-CD1 3.94Å; D27-L33 HydrophobicContact CB-CD2 4.13Å; D27-L33 HydrophobicContact CB-CG 4.07Å; N31-L33 PolarHBondContact O-N 3.34Å
34G89.9Confident91.6Very high37 Ų3763.3 Ų63.338%0.38137%0.365SS..EExtended strand (participates in β ladder)trans160.9154.3175.300000114.5I24 N25I24-G34 CarbonylContact C-O 3.52Å; I24-G34 WeakPolarHBondContact CA-O 3.49Å; N25-G34 PolarHBondContact N-O 2.82Å
35S92.5Very high91.6Very high87 Ų8761 Ų6161%0.60835%0.354SS*.EExtended strand (participates in β ladder)trans-85.4143.2177.361.30000112.4V23V23-S35 CarbonylContact O-C 3.59Å; V23-S35 WeakPolarHBondContact O-CA 3.33Å
36G92.5Very high91.6Very high13 Ų1359.7 Ų59.713%0.13435%0.347CS..EExtended strand (participates in β ladder)trans-148.2-176.8172.500000111.9V23 H48V23-G36 PolarHBondContact N-O 3.42Å; V23-G36 PolarHBondContact O-N 2.64Å; G36-H48 CarbonylContact C-O 3.45Å; G36-H48 WeakPolarHBondContact CA-O 3.26Å
37V93.8Very high91.6Very high31 Ų3159.4 Ų59.419%0.18834%0.344CS..EExtended strand (participates in β ladder)trans-116.7119.4172.1-179.50000107.6K20 F21 H48K20-V37 HydrophobicContact CB-CG1 3.84Å; F21-V37 CarbonylContact O-C 3.59Å; F21-V37 WeakPolarHBondContact O-CA 3.43Å; V37-H48 HydrophobicContact CB-CB 4.28Å; V37-H48 PolarHBondContact N-O 2.79Å; V37-H48 PolarHBondContact O-N 3.46Å
38M95Very high91.7Very high0 Ų059.7 Ų59.70%034%0.344CS..EExtended strand (participates in β ladder)trans-85.3126171.4-169.764.676.700109K20 F21 V23 L40 L45 V46 L47 W57 F74 F89K20-M38 CarbonylContact C-O 3.56Å; K20-M38 VanDerWaalsContact CA-O 3.3Å; K20-M38 WeakPolarHBondContact CA-O 3.19Å; F21-M38 PolarHBondContact N-O 3.33Å; F21-M38 PolarHBondContact O-N 3.23Å; V23-M38 HydrophobicContact CB-CB 4.43Å; V23-M38 HydrophobicContact CG1-CB 3.6Å; V23-M38 HydrophobicContact CG2-CB 3.91Å; M38-L40 HydrophobicContact CG-CD1 4.3Å; M38-L45 HydrophobicContact CE-CD2 4.36Å; M38-L45 HydrophobicContact CG-CD1 3.74Å; M38-L45 HydrophobicContact CG-CG 4.37Å; M38-L45 HydrophobicContact SD-CD1 3.58Å; M38-L45 VanDerWaalsContact SD-CD1 3.58Å; M38-L45 HydrophobicContact SD-CD2 3.94Å; M38-L45 HydrophobicContact SD-CG 3.53Å; M38-L45 VanDerWaalsContact SD-CG 3.53Å; M38-V46 CarbonylContact C-O 3.6Å; M38-V46 WeakPolarHBondContact CA-O 3.3Å; M38-L47 HydrophobicContact CE-CB 4.24Å; M38-L47 HydrophobicContact CE-CD1 4.14Å; M38-L47 HydrophobicContact SD-CB 4.19Å; M38-W57 HydrophobicContact CE-CZ3 4.33Å; M38-W57 HydrophobicContact SD-CZ3 4.45Å; M38-F74 HydrophobicContact CE-CE1 4.22Å; M38-F89 HydrophobicContact CE-CD1 4.27Å; M38-F89 HydrophobicContact CE-CD2 3.72Å; M38-F89 HydrophobicContact CE-CE1 4.12Å; M38-F89 HydrophobicContact CE-CE2 3.54Å; M38-F89 HydrophobicContact CE-CG 4.08Å; M38-F89 HydrophobicContact CE-CZ 3.75Å
39E94.4Very high91.7Very high36 Ų3653.4 Ų53.417%0.16831%0.312CS..EExtended strand (participates in β ladder)trans-118.5126.6177.5177.1165.8-173.400109.6S19 K20 T41 V46 H48S19-E39 WeakPolarHBondContact O-CA 3.48Å; K20-E39 VanDerWaalsContact CE-CD 3.46Å; K20-E39 WeakPolarHBondContact CE-OE1 3.47Å; K20-E39 VanDerWaalsContact CE-OE2 3.26Å; K20-E39 WeakPolarHBondContact CE-OE2 3.3Å; K20-E39 HydrophobicContact CG-CB 4.07Å; K20-E39 HydrophobicContact CG-CG 3.93Å; K20-E39 VanDerWaalsContact NZ-CD 3.28Å; K20-E39 IonicContact NZ-OE1 3Å; K20-E39 PolarHBondContact NZ-OE1 3.1Å; K20-E39 IonicContact NZ-OE2 3.23Å; K20-E39 PolarHBondContact NZ-OE2 3.23Å; E39-T41 HydrophobicContact CG-CG2 4.04Å; E39-V46 HydrophobicContact CB-CB 4.41Å; E39-V46 PolarHBondContact N-O 2.85Å; E39-V46 PolarHBondContact O-N 2.8Å; E39-H48 IonicContact OE2-CD2 3.31Å; E39-H48 IonicContact OE2-NE2 2.65Å; E39-H48 PolarHBondContact OE2-NE2 2.97Å
40L93.6Very high91.2Very high9 Ų954.6 Ų54.65%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-97.3108.4171.6-68.569.2000107.1S19 F21 M38 L45 I97 M100 L101S19-L40 PolarHBondContact O-N 2.74Å; F21-L40 HydrophobicContact CD2-CD1 3.93Å; F21-L40 HydrophobicContact CE2-CD1 3.8Å; M38-L40 HydrophobicContact CG-CD1 4.3Å; L40-L45 HydrophobicContact CD1-CD1 3.78Å; L40-L45 HydrophobicContact CG-CD1 3.66Å; L40-I97 HydrophobicContact CD1-CG2 4.18Å; L40-I97 HydrophobicContact CD2-CG2 4.43Å; L40-M100 HydrophobicContact CB-CE 3.99Å; L40-M100 HydrophobicContact CD1-CE 4.1Å; L40-M100 HydrophobicContact CD2-CB 3.97Å; L40-M100 HydrophobicContact CD2-CE 3.76Å; L40-M100 HydrophobicContact CD2-CG 3.93Å; L40-M100 HydrophobicContact CG-CE 4.15Å; L40-L101 HydrophobicContact CD2-CB 4.03Å
41T91.5Very high90.7Very high38 Ų3863.5 Ų63.523%0.23333%0.332CS..  trans-88.9176.4171.973.30000109.6E39 S43 E44 V46 Y59E39-T41 HydrophobicContact CG-CG2 4.04Å; T41-S43 PolarHBondContact O-N 2.62Å; T41-S43 PolarHBondContact OG1-N 2.88Å; T41-E44 WeakPolarHBondContact CB-O 3.44Å; T41-E44 PolarHBondContact N-O 2.98Å; T41-E44 WeakPolarHBondContact OG1-CG 3.32Å; T41-E44 PolarHBondContact OG1-N 2.83Å; T41-E44 PolarHBondContact OG1-O 3.26Å; T41-V46 HydrophobicContact CG2-CG2 4.09Å; T41-Y59 PolarHBondContact N-OH 2.99Å; T41-Y59 VanDerWaalsContact O-CE2 3.3Å; T41-Y59 WeakPolarHBondContact O-CE2 3.47Å; T41-Y59 PolarHBondContact O-OH 2.75Å
42E86.9Confident90.2Very high160 Ų16068 Ų6875%0.74834%0.342SS*.SBendtrans-63.9-29174.8-65.3176.3-178.500112.2Y59 H108E42-Y59 WeakPolarHBondContact O-CE2 3.47Å; E42-H108 PolarHBondContact O-CE1 3.35Å; E42-H108 PolarHBondContact O-ND1 3.2Å; E42-H108 PolarHBondContact O-NE2 3.32Å
43S87.4Confident89.9Confident81 Ų8169.4 Ų69.457%0.56635%0.353SS*.SBendtrans-113.6-24.1-170.666.20000115.3T41 Y59T41-S43 PolarHBondContact O-N 2.62Å; T41-S43 PolarHBondContact OG1-N 2.88Å; S43-Y59 WeakPolarHBondContact O-CD2 3.48Å
44E93.3Very high90.1Very high47 Ų4767.2 Ų67.222%0.2234%0.342CS..EExtended strand (participates in β ladder)trans-152.8154.7-173.656.9-175.2177.500113T41 V46 R56 Y59T41-E44 WeakPolarHBondContact CB-O 3.44Å; T41-E44 PolarHBondContact N-O 2.98Å; T41-E44 WeakPolarHBondContact OG1-CG 3.32Å; T41-E44 PolarHBondContact OG1-N 2.83Å; T41-E44 PolarHBondContact OG1-O 3.26Å; E44-V46 HydrophobicContact CG-CG2 3.92Å; E44-R56 WeakPolarHBondContact OE1-CD 3.45Å; E44-Y59 PolarHBondContact O-OH 3.12Å
45L94.4Very high90.2Very high0 Ų066.8 Ų66.80%033%0.332CS..EExtended strand (participates in β ladder)trans-88.8126.7170.2-174.771.6000108.9M38 L40 R56 W57 Y59 F72 F74M38-L45 HydrophobicContact CE-CD2 4.36Å; M38-L45 HydrophobicContact CG-CD1 3.74Å; M38-L45 HydrophobicContact CG-CG 4.37Å; M38-L45 HydrophobicContact SD-CD1 3.58Å; M38-L45 VanDerWaalsContact SD-CD1 3.58Å; M38-L45 HydrophobicContact SD-CD2 3.94Å; M38-L45 HydrophobicContact SD-CG 3.53Å; M38-L45 VanDerWaalsContact SD-CG 3.53Å; L40-L45 HydrophobicContact CD1-CD1 3.78Å; L40-L45 HydrophobicContact CG-CD1 3.66Å; L45-R56 CarbonylContact O-C 3.53Å; L45-R56 WeakPolarHBondContact O-CA 3.44Å; L45-W57 HydrophobicContact CB-CB 4.34Å; L45-W57 HydrophobicContact CD2-CE3 4.29Å; L45-W57 HydrophobicContact CG-CE3 4.35Å; L45-W57 PolarHBondContact N-O 2.9Å; L45-W57 PolarHBondContact O-N 2.81Å; L45-Y59 HydrophobicContact CB-CE1 3.95Å; L45-F72 HydrophobicContact CD2-CE1 4.28Å; L45-F74 HydrophobicContact CD2-CD1 3.9Å; L45-F74 HydrophobicContact CD2-CE1 3.39Å; L45-F74 HydrophobicContact CD2-CE2 4.39Å; L45-F74 HydrophobicContact CD2-CZ 3.69Å
46V94.4Very high90.3Very high7 Ų768.4 Ų68.44%0.04233%0.325CS..EExtended strand (participates in β ladder)trans-122.4126.9-175.6-173.90000110.5M38 E39 T41 E44 D54 V55 R56M38-V46 CarbonylContact C-O 3.6Å; M38-V46 WeakPolarHBondContact CA-O 3.3Å; E39-V46 HydrophobicContact CB-CB 4.41Å; E39-V46 PolarHBondContact N-O 2.85Å; E39-V46 PolarHBondContact O-N 2.8Å; T41-V46 HydrophobicContact CG2-CG2 4.09Å; E44-V46 HydrophobicContact CG-CG2 3.92Å; V46-D54 HydrophobicContact CG1-CB 4.21Å; V46-V55 CarbonylContact C-O 3.59Å; V46-V55 WeakPolarHBondContact CA-O 3.27Å; V46-R56 HydrophobicContact CG1-CG 4.06Å; V46-R56 HydrophobicContact CG2-CG 4.04Å
47L94.6Very high90.4Very high9 Ų968 Ų685%0.04732%0.319CS..EExtended strand (participates in β ladder)trans-103111.3170.2174.873.6000109.9V23 M38 T49 D54 V55 W57 F89V23-L47 HydrophobicContact CG2-CD1 3.55Å; M38-L47 HydrophobicContact CE-CB 4.24Å; M38-L47 HydrophobicContact CE-CD1 4.14Å; M38-L47 HydrophobicContact SD-CB 4.19Å; L47-T49 HydrophobicContact CD2-CG2 3.75Å; L47-T49 HydrophobicContact CG-CG2 3.74Å; L47-D54 WeakPolarHBondContact O-CA 3.38Å; L47-V55 HydrophobicContact CB-CB 4.38Å; L47-V55 PolarHBondContact N-O 2.77Å; L47-V55 PolarHBondContact O-N 3.37Å; L47-W57 HydrophobicContact CB-CH2 3.81Å; L47-W57 HydrophobicContact CB-CZ3 3.48Å; L47-W57 VanDerWaalsContact CB-CZ3 3.48Å; L47-W57 HydrophobicContact CD2-CH2 4.03Å; L47-F89 HydrophobicContact CD1-CE1 4.05Å; L47-F89 HydrophobicContact CD2-CE1 3.69Å; L47-F89 HydrophobicContact CD2-CZ 3.91Å; L47-F89 HydrophobicContact CG-CE1 4.49Å
48H92.7Very high90.4Very high52 Ų5268.8 Ų68.824%0.24133%0.325CS..EExtended strand (participates in β ladder)trans-84.1116.6169.6-62.3-70.3000109.8G36 V37 E39 D54G36-H48 CarbonylContact C-O 3.45Å; G36-H48 WeakPolarHBondContact CA-O 3.26Å; V37-H48 HydrophobicContact CB-CB 4.28Å; V37-H48 PolarHBondContact N-O 2.79Å; V37-H48 PolarHBondContact O-N 3.46Å; E39-H48 IonicContact OE2-CD2 3.31Å; E39-H48 IonicContact OE2-NE2 2.65Å; E39-H48 PolarHBondContact OE2-NE2 2.97Å; H48-D54 WeakPolarHBondContact CA-OD1 3.46Å; H48-D54 IonicContact CE1-OD1 3.27Å; H48-D54 IonicContact CE1-OD2 3.95Å; H48-D54 PolarHBondContact CE1-OD2 3.32Å; H48-D54 VanDerWaalsContact CE1-OD2 3.23Å; H48-D54 IonicContact CG-OD1 2.71Å; H48-D54 IonicContact ND1-OD1 3.51Å; H48-D54 PolarHBondContact ND1-OD1 3.43Å; H48-D54 IonicContact ND1-OD2 3.08Å; H48-D54 PolarHBondContact ND1-OD2 2.6Å
49T91.1Very high90.2Very high36 Ų3668.8 Ų68.822%0.22133%0.325CS..EExtended strand (participates in β ladder)trans-110146.7176.376.50000110.4L47 R51 R52L47-T49 HydrophobicContact CD2-CG2 3.75Å; L47-T49 HydrophobicContact CG-CG2 3.74Å; T49-R51 PolarHBondContact O-N 2.83Å; T49-R52 WeakPolarHBondContact OG1-CA 3.37Å; T49-R52 VanDerWaalsContact OG1-CB 3.29Å; T49-R52 WeakPolarHBondContact OG1-CB 3.45Å; T49-R52 PolarHBondContact OG1-N 3.03Å; T49-R52 PolarHBondContact OG1-O 3.27Å
50H78.9Confident90Very high144 Ų14473.6 Ų73.667%0.66735%0.351SS*.SBendtrans-74.3-12.9-178.9-170-72.8000113.1K10K10-H50 PolarHBondContact NZ-NE2 2.75Å; K10-H50 VanDerWaalsContact NZ-NE2 3.19Å
51R75.8Confident89.9Confident235 Ų23574.4 Ų74.489%0.88736%0.357SS*.SBendtrans-124.6-7.3-171.2-66.5-163.7175.1-156.61.1114.8T49T49-R51 PolarHBondContact O-N 2.83Å
52R79.9Confident89.9Confident188 Ų18873 Ų7371%0.70935%0.349SS*.SBendtrans-137.6168.3-179-53.7-178.3-179.6141.30.4109.3T49T49-R52 WeakPolarHBondContact OG1-CA 3.37Å; T49-R52 VanDerWaalsContact OG1-CB 3.29Å; T49-R52 WeakPolarHBondContact OG1-CB 3.45Å; T49-R52 PolarHBondContact OG1-N 3.03Å; T49-R52 PolarHBondContact OG1-O 3.27Å
53D88.1Confident90.1Very high142 Ų14270 Ų7076%0.75933%0.33SS*.PPolyproline II helixtrans-59.4153.4171.8-58.9-49.8000111.3V55D53-V55 PolarHBondContact O-N 3.37Å
54D91.5Very high90.4Very high60 Ų6070 Ų7032%0.32132%0.318SS..PPolyproline II helixtrans-62.2130.4175.6-64.9-23.3000110.1V46 L47 H48V46-D54 HydrophobicContact CG1-CB 4.21Å; L47-D54 WeakPolarHBondContact O-CA 3.38Å; H48-D54 WeakPolarHBondContact CA-OD1 3.46Å; H48-D54 IonicContact CE1-OD1 3.27Å; H48-D54 IonicContact CE1-OD2 3.95Å; H48-D54 PolarHBondContact CE1-OD2 3.32Å; H48-D54 VanDerWaalsContact CE1-OD2 3.23Å; H48-D54 IonicContact CG-OD1 2.71Å; H48-D54 IonicContact ND1-OD1 3.51Å; H48-D54 PolarHBondContact ND1-OD1 3.43Å; H48-D54 IonicContact ND1-OD2 3.08Å; H48-D54 PolarHBondContact ND1-OD2 2.6Å
55V92.5Very high90.4Very high27 Ų2768 Ų6816%0.16431%0.308CS..EExtended strand (participates in β ladder)trans-98.5130.1178.5-178.70000109.1V46 L47 D53 W57 T82V46-V55 CarbonylContact C-O 3.59Å; V46-V55 WeakPolarHBondContact CA-O 3.27Å; L47-V55 HydrophobicContact CB-CB 4.38Å; L47-V55 PolarHBondContact N-O 2.77Å; L47-V55 PolarHBondContact O-N 3.37Å; D53-V55 PolarHBondContact O-N 3.37Å; V55-W57 HydrophobicContact CB-CH2 3.86Å; V55-W57 HydrophobicContact CB-CZ2 4.21Å; V55-W57 HydrophobicContact CB-CZ3 4.16Å; V55-W57 HydrophobicContact CG1-CD2 4.05Å; V55-W57 HydrophobicContact CG1-CE3 4.16Å; V55-W57 HydrophobicContact CG1-CH2 3.44Å; V55-W57 VanDerWaalsContact CG1-CH2 3.44Å; V55-W57 HydrophobicContact CG1-CZ2 3.29Å; V55-W57 HydrophobicContact CG1-CZ3 3.88Å; V55-T82 HydrophobicContact CG1-CG2 3.35Å; V55-T82 HydrophobicContact CG2-CG2 4.46Å
56R93.8Very high90.4Very high122 Ų12268.1 Ų68.146%0.4631%0.309SS..EExtended strand (participates in β ladder)trans-119.6134-177-56.3-177.8-177.1161.23111.5E44 L45 V46E44-R56 WeakPolarHBondContact OE1-CD 3.45Å; L45-R56 CarbonylContact O-C 3.53Å; L45-R56 WeakPolarHBondContact O-CA 3.44Å; V46-R56 HydrophobicContact CG1-CG 4.06Å; V46-R56 HydrophobicContact CG2-CG 4.04Å
57W94.8Very high90.4Very high3 Ų371.1 Ų71.11%0.01132%0.32CS..EExtended strand (participates in β ladder)trans-125104.6175.3-61.3-85.1000109.6M38 L45 L47 V55 Y59 L62 F74 T82 F87 F89M38-W57 HydrophobicContact CE-CZ3 4.33Å; M38-W57 HydrophobicContact SD-CZ3 4.45Å; L45-W57 HydrophobicContact CB-CB 4.34Å; L45-W57 HydrophobicContact CD2-CE3 4.29Å; L45-W57 HydrophobicContact CG-CE3 4.35Å; L45-W57 PolarHBondContact N-O 2.9Å; L45-W57 PolarHBondContact O-N 2.81Å; L47-W57 HydrophobicContact CB-CH2 3.81Å; L47-W57 HydrophobicContact CB-CZ3 3.48Å; L47-W57 VanDerWaalsContact CB-CZ3 3.48Å; L47-W57 HydrophobicContact CD2-CH2 4.03Å; V55-W57 HydrophobicContact CB-CH2 3.86Å; V55-W57 HydrophobicContact CB-CZ2 4.21Å; V55-W57 HydrophobicContact CB-CZ3 4.16Å; V55-W57 HydrophobicContact CG1-CD2 4.05Å; V55-W57 HydrophobicContact CG1-CE3 4.16Å; V55-W57 HydrophobicContact CG1-CH2 3.44Å; V55-W57 VanDerWaalsContact CG1-CH2 3.44Å; V55-W57 HydrophobicContact CG1-CZ2 3.29Å; V55-W57 HydrophobicContact CG1-CZ3 3.88Å; W57-Y59 PolarHBondContact O-N 3.39Å; W57-L62 HydrophobicContact CB-CD2 4.19Å; W57-F74 AromaticContact CD1-CE2 3.95Å; W57-F74 AromaticContact CD2-CE2 3.81Å; W57-F74 HydrophobicContact CD2-CE2 3.81Å; W57-F74 AromaticContact CD2-CZ 3.62Å; W57-F74 HydrophobicContact CD2-CZ 3.62Å; W57-F74 AromaticContact CE2-CE2 3.81Å; W57-F74 AromaticContact CE2-CZ 3.71Å; W57-F74 HydrophobicContact CE3-CE2 4.35Å; W57-F74 AromaticContact CE3-CZ 3.72Å; W57-F74 HydrophobicContact CE3-CZ 3.72Å; W57-F74 AromaticContact CG-CE2 3.89Å; W57-F74 HydrophobicContact CG-CE2 3.89Å; W57-F74 HydrophobicContact CG-CZ 4.16Å; W57-F74 HydrophobicContact CH2-CZ 4.01Å; W57-F74 HydrophobicContact CZ2-CE2 4.36Å; W57-F74 AromaticContact CZ2-CZ 3.91Å; W57-F74 HydrophobicContact CZ2-CZ 3.91Å; W57-F74 AromaticContact CZ3-CZ 3.91Å; W57-F74 HydrophobicContact CZ3-CZ 3.91Å; W57-F74 AromaticContact NE1-CE2 3.87Å; W57-T82 HydrophobicContact CZ2-CG2 4.27Å; W57-T82 PolarHBondContact NE1-OG1 3.47Å; W57-F87 HydrophobicContact CZ2-CD1 4.13Å; W57-F87 HydrophobicContact CZ2-CD2 4.2Å; W57-F87 HydrophobicContact CZ2-CE1 4.19Å; W57-F87 HydrophobicContact CZ2-CE2 4.26Å; W57-F87 HydrophobicContact CZ2-CG 4.14Å; W57-F87 HydrophobicContact CZ2-CZ 4.26Å; W57-F87 AromaticContact NE1-CE2 3.64Å; W57-F89 HydrophobicContact CH2-CZ 4.15Å
58P93.3Very high90.3Very high48 Ų4871.7 Ų71.731%0.31232%0.323SS..EExtended strand (participates in β ladder)trans-57.5137.9170.1-22.733.3000110.1L60 C61P58-L60 PolarHBondContact O-N 2.78Å; P58-L60 VanDerWaalsContact O-N 3.13Å; P58-C61 WeakPolarHBondContact O-CB 3.46Å; P58-C61 PolarHBondContact O-N 2.98Å
59Y91.9Very high90.1Very high1 Ų173.8 Ų73.80%0.00434%0.344CS..G310 helixtrans-58.2-32.5-177-63.3-53.4000113.1T41 E42 S43 E44 L45 W57 C61 L62 L101 V104T41-Y59 PolarHBondContact N-OH 2.99Å; T41-Y59 VanDerWaalsContact O-CE2 3.3Å; T41-Y59 WeakPolarHBondContact O-CE2 3.47Å; T41-Y59 PolarHBondContact O-OH 2.75Å; E42-Y59 WeakPolarHBondContact O-CE2 3.47Å; S43-Y59 WeakPolarHBondContact O-CD2 3.48Å; E44-Y59 PolarHBondContact O-OH 3.12Å; L45-Y59 HydrophobicContact CB-CE1 3.95Å; W57-Y59 PolarHBondContact O-N 3.39Å; Y59-C61 PolarHBondContact O-N 2.97Å; Y59-L62 HydrophobicContact CD1-CD1 4.09Å; Y59-L62 WeakPolarHBondContact O-CB 3.45Å; Y59-L62 PolarHBondContact O-N 2.98Å; Y59-L62 VanDerWaalsContact O-N 3.15Å; Y59-L101 HydrophobicContact CD1-CD1 3.49Å; Y59-L101 VanDerWaalsContact CD1-CD1 3.49Å; Y59-L101 HydrophobicContact CE1-CD1 3.29Å; Y59-V104 HydrophobicContact CD2-CG1 3.73Å; Y59-V104 HydrophobicContact CE2-CG1 3.26Å
60L90Very high90.2Very high137 Ų13776 Ų7672%0.71735%0.354SS*.G310 helixtrans-62.5-19.5174.5-66.3170.9000114.2P58 I110P58-L60 PolarHBondContact O-N 2.78Å; P58-L60 VanDerWaalsContact O-N 3.13Å; L60-I110 HydrophobicContact CD2-CD1 3.93Å; L60-I110 HydrophobicContact CD2-CG1 3.83Å; L60-I110 HydrophobicContact CD2-CG2 3.99Å; L60-I110 HydrophobicContact CG-CD1 4.11Å
61C91Very high90.9Very high26 Ų2670.6 Ų70.618%0.17633%0.33CS..G310 helixtrans-96.8-3.9179.9-60.30000112.9P58 Y59 G77 C80P58-C61 WeakPolarHBondContact O-CB 3.46Å; P58-C61 PolarHBondContact O-N 2.98Å; Y59-C61 PolarHBondContact O-N 2.97Å; C61-G77 PolarHBondContact O-N 2.87Å; C61-C80 WeakPolarHBondContact CB-SG 3.47Å
62L92.3Very high91.8Very high9 Ų959.4 Ų59.45%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-75.5141169.6-57.4-176.7000108.9W57 Y59 F74 E75 L101 V112W57-L62 HydrophobicContact CB-CD2 4.19Å; Y59-L62 HydrophobicContact CD1-CD1 4.09Å; Y59-L62 WeakPolarHBondContact O-CB 3.45Å; Y59-L62 PolarHBondContact O-N 2.98Å; Y59-L62 VanDerWaalsContact O-N 3.15Å; L62-F74 HydrophobicContact CD2-CB 4.46Å; L62-F74 HydrophobicContact CD2-CD2 3.38Å; L62-F74 HydrophobicContact CD2-CE2 3.81Å; L62-F74 HydrophobicContact CD2-CG 4.11Å; L62-E75 WeakPolarHBondContact CA-O 3.44Å; L62-L101 HydrophobicContact CD1-CD1 4.29Å; L62-L101 HydrophobicContact CD1-CD2 4.32Å; L62-V112 HydrophobicContact CB-CG1 4.3Å; L62-V112 VanDerWaalsContact O-CG1 3.22Å; L62-V112 WeakPolarHBondContact O-CG1 3.19Å
63R91.5Very high92.6Very high97 Ų9750.7 Ų50.737%0.36626%0.256SS..EExtended strand (participates in β ladder)trans-105.7-38.6177.8-69.6174.6171.3170.6-4.1112.1E75 Q84R63-E75 HydrophobicContact CB-CB 4.33Å; R63-E75 HydrophobicContact CB-CG 4.48Å; R63-E75 VanDerWaalsContact CD-OE1 3.26Å; R63-E75 WeakPolarHBondContact CD-OE1 3.39Å; R63-E75 IonicContact CZ-OE1 2.68Å; R63-E75 PolarHBondContact N-O 3Å; R63-E75 IonicContact NE-OE1 3.38Å; R63-E75 IonicContact NH1-OE1 3.86Å; R63-E75 PolarHBondContact NH1-OE1 3Å; R63-Q84 VanDerWaalsContact NH1-CD 3.29Å
64R92.3Very high92.9Very high80 Ų8044 Ų4430%0.30222%0.22SC..EExtended strand (participates in β ladder)trans-154.2152.517555.4175.1-177.4-94-8.7108.8F74 E75 Y188R64-F74 CarbonylContact O-C 3.48Å; R64-F74 VanDerWaalsContact O-CA 3.28Å; R64-F74 WeakPolarHBondContact O-CA 3.34Å; R64-F74 WeakPolarHBondContact O-CB 3.36Å; R64-E75 HydrophobicContact CG-CB 3.64Å; R64-E75 IonicContact CZ-OE2 3.66Å; R64-E75 IonicContact NE-OE2 3.51Å; R64-E75 IonicContact NH1-OE2 2.76Å; R64-E75 PolarHBondContact NH1-OE2 2.92Å; R64-E75 IonicContact NH2-OE2 2.91Å; R64-E75 PolarHBondContact NH2-OE2 3.5Å; R64-E75 VanDerWaalsContact NH2-OE2 3.12Å; R64-E75 PolarHBondContact O-N 3.45Å; R64-Y188 HydrophobicContact CG-CD1 4.26Å
65Y94Very high93.1Very high6 Ų642 Ų422%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-140.6154.7173.157.1-87000108.7S73 F98 L101 Q102 M105 V112 V189Y65-S73 CarbonylContact C-O 3.41Å; Y65-S73 WeakPolarHBondContact CA-O 3.27Å; Y65-F98 AromaticContact CD2-CD2 3.59Å; Y65-F98 HydrophobicContact CD2-CD2 3.59Å; Y65-F98 AromaticContact CD2-CE2 3.44Å; Y65-F98 HydrophobicContact CD2-CE2 3.44Å; Y65-F98 VanDerWaalsContact CD2-CE2 3.44Å; Y65-F98 AromaticContact CE2-CD2 3.87Å; Y65-F98 HydrophobicContact CE2-CD2 3.87Å; Y65-F98 AromaticContact CE2-CE2 3.43Å; Y65-F98 HydrophobicContact CE2-CE2 3.43Å; Y65-F98 VanDerWaalsContact CE2-CE2 3.43Å; Y65-F98 HydrophobicContact CE2-CZ 4.13Å; Y65-L101 HydrophobicContact CD1-CD2 4.09Å; Y65-L101 HydrophobicContact CD2-CD2 3.73Å; Y65-L101 HydrophobicContact CD2-CG 4.36Å; Y65-L101 HydrophobicContact CE2-CD2 4.34Å; Y65-L101 HydrophobicContact CE2-CG 4.49Å; Y65-L101 HydrophobicContact CG-CD2 3.6Å; Y65-L101 HydrophobicContact CG-CG 4.45Å; Y65-Q102 HydrophobicContact CE2-CG 3.71Å; Y65-M105 HydrophobicContact CD1-SD 3.8Å; Y65-M105 HydrophobicContact CE1-CE 3.87Å; Y65-M105 HydrophobicContact CE1-SD 3.17Å; Y65-M105 WeakPolarHBondContact CE1-SD 3.45Å; Y65-V112 HydrophobicContact CD1-CG1 4.46Å; Y65-V112 HydrophobicContact CD1-CG2 4.27Å; Y65-V112 HydrophobicContact CE1-CG1 4.41Å; Y65-V112 HydrophobicContact CE1-CG2 3.56Å; Y65-V189 PolarHBondContact O-N 2.68Å
66G93.8Very high93.2Very high1 Ų140.7 Ų40.71%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-163.5164.7-176.300000110.8S73 T187G66-S73 PolarHBondContact N-O 3.14Å; G66-S73 PolarHBondContact O-N 3.24Å; G66-T187 VanDerWaalsContact CA-O 3.28Å; G66-T187 WeakPolarHBondContact CA-O 3.27Å
67Y94.8Very high93.1Very high70 Ų7035.1 Ų35.128%0.27518%0.182SC..EExtended strand (participates in β ladder)trans-138.4159.9174.280.7-79.3000110L71 E95 F98Y67-L71 CarbonylContact C-O 3.57Å; Y67-L71 VanDerWaalsContact CA-O 3.23Å; Y67-L71 WeakPolarHBondContact CA-O 3.39Å; Y67-E95 HydrophobicContact CD2-CB 4.28Å; Y67-E95 HydrophobicContact CE2-CB 4.04Å; Y67-E95 HydrophobicContact CE2-CG 4.15Å; Y67-F98 HydrophobicContact CD1-CB 3.65Å; Y67-F98 AromaticContact CD1-CD1 3.5Å; Y67-F98 HydrophobicContact CD1-CD1 3.5Å; Y67-F98 VanDerWaalsContact CD1-CD1 3.5Å; Y67-F98 AromaticContact CD1-CD2 3.67Å; Y67-F98 HydrophobicContact CD1-CD2 3.67Å; Y67-F98 HydrophobicContact CD1-CE1 4.01Å; Y67-F98 HydrophobicContact CD1-CE2 4.19Å; Y67-F98 AromaticContact CD1-CG 3.3Å; Y67-F98 HydrophobicContact CD1-CG 3.3Å; Y67-F98 HydrophobicContact CD1-CZ 4.35Å; Y67-F98 HydrophobicContact CE1-CB 4.37Å; Y67-F98 AromaticContact CE1-CD1 3.5Å; Y67-F98 HydrophobicContact CE1-CD1 3.5Å; Y67-F98 VanDerWaalsContact CE1-CD1 3.5Å; Y67-F98 HydrophobicContact CE1-CD2 4.43Å; Y67-F98 AromaticContact CE1-CE1 3.8Å; Y67-F98 HydrophobicContact CE1-CE1 3.8Å; Y67-F98 AromaticContact CE1-CG 3.85Å; Y67-F98 HydrophobicContact CE1-CG 3.85Å; Y67-F98 HydrophobicContact CE1-CZ 4.42Å; Y67-F98 HydrophobicContact CG-CB 4.04Å; Y67-F98 HydrophobicContact CG-CG 4.17Å
68D92.7Very high93Very high22 Ų2244.1 Ų44.112%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-147110.1171.3165.431000107.9N70 L71 A184 H186D68-N70 VanDerWaalsContact C-N 3.3Å; D68-N70 CarbonylContact O-C 3.53Å; D68-N70 PolarHBondContact O-N 2.79Å; D68-L71 HydrophobicContact CB-CB 4.49Å; D68-L71 PolarHBondContact N-O 2.93Å; D68-L71 WeakPolarHBondContact O-CA 3.24Å; D68-L71 WeakPolarHBondContact O-CB 3.25Å; D68-L71 PolarHBondContact O-N 3.37Å; D68-A184 WeakPolarHBondContact OD2-CB 3.44Å; D68-H186 WeakPolarHBondContact CB-ND1 3.45Å; D68-H186 IonicContact OD2-CE1 3.98Å; D68-H186 PolarHBondContact OD2-CE1 2.79Å; D68-H186 IonicContact OD2-ND1 2.8Å; D68-H186 PolarHBondContact OD2-ND1 3.42Å
69S88.5Confident92.7Very high96 Ų9652.8 Ų52.867%0.67124%0.242SC*.THydrogen-bonded Turntrans44.4-78.9174.4-52.10000115.6
70N92.1Very high92.5Very high83 Ų8353.2 Ų53.244%0.44425%0.245SC..THydrogen-bonded Turntrans-117.319.8178.268.3-5.1000114.5D68 K90 C91D68-N70 VanDerWaalsContact C-N 3.3Å; D68-N70 CarbonylContact O-C 3.53Å; D68-N70 PolarHBondContact O-N 2.79Å; N70-K90 CarbonylContact O-C 3.59Å; N70-K90 VanDerWaalsContact O-CA 3.24Å; N70-K90 WeakPolarHBondContact O-CA 3.43Å; N70-C91 CarbonylContact C-O 3.43Å; N70-C91 WeakPolarHBondContact CA-O 3.47Å; N70-C91 CarbonylContact O-C 3.56Å; N70-C91 PolarHBondContact O-N 3.04Å; N70-C91 VanDerWaalsContact O-O 3.07Å
71L94.2Very high92.3Very high30 Ų3053.7 Ų53.716%0.15724%0.244CC..EExtended strand (participates in β ladder)trans-132.5126.7-176.8-16976.6000109.2V26 Y67 D68 A88 F89 K90 H186V26-L71 HydrophobicContact CG2-CD1 3.88Å; Y67-L71 CarbonylContact C-O 3.57Å; Y67-L71 VanDerWaalsContact CA-O 3.23Å; Y67-L71 WeakPolarHBondContact CA-O 3.39Å; D68-L71 HydrophobicContact CB-CB 4.49Å; D68-L71 PolarHBondContact N-O 2.93Å; D68-L71 WeakPolarHBondContact O-CA 3.24Å; D68-L71 WeakPolarHBondContact O-CB 3.25Å; D68-L71 PolarHBondContact O-N 3.37Å; L71-A88 HydrophobicContact CD1-CB 4.33Å; L71-F89 CarbonylContact C-O 3.47Å; L71-F89 WeakPolarHBondContact CA-O 3.37Å; L71-K90 HydrophobicContact CD1-CB 4.41Å; L71-H186 WeakPolarHBondContact CD2-CE1 3.36Å
72F95.8Very high92.1Very high0 Ų055.3 Ų55.30%025%0.253CS..EExtended strand (participates in β ladder)trans-111.5133.1171.5170.9-107.9000108.6L45 F74 A88 F89 A94 I97 L101L45-F72 HydrophobicContact CD2-CE1 4.28Å; F72-F74 HydrophobicContact CD1-CD1 4.35Å; F72-F74 AromaticContact CE1-CD1 3.52Å; F72-F74 HydrophobicContact CE1-CD1 3.52Å; F72-F74 AromaticContact CE1-CE1 3.96Å; F72-F74 HydrophobicContact CE1-CE1 3.96Å; F72-F74 AromaticContact CZ-CD1 3.93Å; F72-F74 HydrophobicContact CZ-CD1 3.93Å; F72-A88 CarbonylContact O-C 3.13Å; F72-F89 HydrophobicContact CD1-CD2 4.29Å; F72-F89 PolarHBondContact N-O 2.9Å; F72-F89 PolarHBondContact O-N 3.43Å; F72-A94 HydrophobicContact CB-CB 4.02Å; F72-I97 HydrophobicContact CB-CD1 4.48Å; F72-I97 HydrophobicContact CD1-CG2 3.8Å; F72-I97 HydrophobicContact CD2-CB 4.28Å; F72-I97 HydrophobicContact CD2-CG2 3.63Å; F72-I97 HydrophobicContact CE1-CG2 3.69Å; F72-I97 HydrophobicContact CE2-CG2 3.54Å; F72-I97 HydrophobicContact CG-CB 4.39Å; F72-I97 HydrophobicContact CG-CD1 4.5Å; F72-I97 HydrophobicContact CG-CG2 3.76Å; F72-I97 HydrophobicContact CZ-CG2 3.57Å; F72-L101 HydrophobicContact CE2-CD2 4.16Å; F72-L101 HydrophobicContact CZ-CD2 3.9Å
73S94.9Very high92Very high5 Ų555.9 Ų55.94%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-138.7150-179.167.60000112.6Y65 G66 F87Y65-S73 CarbonylContact C-O 3.41Å; Y65-S73 WeakPolarHBondContact CA-O 3.27Å; G66-S73 PolarHBondContact N-O 3.14Å; G66-S73 PolarHBondContact O-N 3.24Å; S73-F87 CarbonylContact C-O 3.5Å; S73-F87 WeakPolarHBondContact CA-O 3.47Å; S73-F87 WeakPolarHBondContact CB-O 3.23Å
74F95.6Very high92.1Very high0 Ų055.8 Ų55.80%026%0.264CS..EExtended strand (participates in β ladder)trans-149.9152.6172.763.6-91.7000111.8M38 L45 W57 L62 R64 F72 I86 F87 F89M38-F74 HydrophobicContact CE-CE1 4.22Å; L45-F74 HydrophobicContact CD2-CD1 3.9Å; L45-F74 HydrophobicContact CD2-CE1 3.39Å; L45-F74 HydrophobicContact CD2-CE2 4.39Å; L45-F74 HydrophobicContact CD2-CZ 3.69Å; W57-F74 AromaticContact CD1-CE2 3.95Å; W57-F74 AromaticContact CD2-CE2 3.81Å; W57-F74 HydrophobicContact CD2-CE2 3.81Å; W57-F74 AromaticContact CD2-CZ 3.62Å; W57-F74 HydrophobicContact CD2-CZ 3.62Å; W57-F74 AromaticContact CE2-CE2 3.81Å; W57-F74 AromaticContact CE2-CZ 3.71Å; W57-F74 HydrophobicContact CE3-CE2 4.35Å; W57-F74 AromaticContact CE3-CZ 3.72Å; W57-F74 HydrophobicContact CE3-CZ 3.72Å; W57-F74 AromaticContact CG-CE2 3.89Å; W57-F74 HydrophobicContact CG-CE2 3.89Å; W57-F74 HydrophobicContact CG-CZ 4.16Å; W57-F74 HydrophobicContact CH2-CZ 4.01Å; W57-F74 HydrophobicContact CZ2-CE2 4.36Å; W57-F74 AromaticContact CZ2-CZ 3.91Å; W57-F74 HydrophobicContact CZ2-CZ 3.91Å; W57-F74 AromaticContact CZ3-CZ 3.91Å; W57-F74 HydrophobicContact CZ3-CZ 3.91Å; W57-F74 AromaticContact NE1-CE2 3.87Å; L62-F74 HydrophobicContact CD2-CB 4.46Å; L62-F74 HydrophobicContact CD2-CD2 3.38Å; L62-F74 HydrophobicContact CD2-CE2 3.81Å; L62-F74 HydrophobicContact CD2-CG 4.11Å; R64-F74 CarbonylContact O-C 3.48Å; R64-F74 VanDerWaalsContact O-CA 3.28Å; R64-F74 WeakPolarHBondContact O-CA 3.34Å; R64-F74 WeakPolarHBondContact O-CB 3.36Å; F72-F74 HydrophobicContact CD1-CD1 4.35Å; F72-F74 AromaticContact CE1-CD1 3.52Å; F72-F74 HydrophobicContact CE1-CD1 3.52Å; F72-F74 AromaticContact CE1-CE1 3.96Å; F72-F74 HydrophobicContact CE1-CE1 3.96Å; F72-F74 AromaticContact CZ-CD1 3.93Å; F72-F74 HydrophobicContact CZ-CD1 3.93Å; F74-I86 WeakPolarHBondContact O-CA 3.5Å; F74-F87 HydrophobicContact CD2-CD2 4.21Å; F74-F87 HydrophobicContact CE1-CB 4.16Å; F74-F87 HydrophobicContact CE2-CB 4.19Å; F74-F87 AromaticContact CE2-CD2 3.62Å; F74-F87 HydrophobicContact CE2-CD2 3.62Å; F74-F87 HydrophobicContact CE2-CE2 4.46Å; F74-F87 HydrophobicContact CE2-CG 4.22Å; F74-F87 HydrophobicContact CZ-CB 3.95Å; F74-F87 HydrophobicContact CZ-CD2 4.07Å; F74-F87 HydrophobicContact CZ-CG 4.23Å; F74-F87 PolarHBondContact N-O 2.84Å; F74-F87 PolarHBondContact O-N 3.07Å; F74-F89 HydrophobicContact CD1-CE2 4.36Å; F74-F89 HydrophobicContact CE1-CD2 4.04Å; F74-F89 AromaticContact CE1-CE2 3.49Å; F74-F89 HydrophobicContact CE1-CE2 3.49Å; F74-F89 VanDerWaalsContact CE1-CE2 3.49Å; F74-F89 HydrophobicContact CZ-CE2 4.02Å
75E95.6Very high92.1Very high18 Ų1853 Ų538%0.08426%0.261CS..EExtended strand (participates in β ladder)trans-99.4126.4168.8-169.8-163.4165.800109.7L62 R63 R64 G85 I86L62-E75 WeakPolarHBondContact CA-O 3.44Å; R63-E75 HydrophobicContact CB-CB 4.33Å; R63-E75 HydrophobicContact CB-CG 4.48Å; R63-E75 VanDerWaalsContact CD-OE1 3.26Å; R63-E75 WeakPolarHBondContact CD-OE1 3.39Å; R63-E75 IonicContact CZ-OE1 2.68Å; R63-E75 PolarHBondContact N-O 3Å; R63-E75 IonicContact NE-OE1 3.38Å; R63-E75 IonicContact NH1-OE1 3.86Å; R63-E75 PolarHBondContact NH1-OE1 3Å; R64-E75 HydrophobicContact CG-CB 3.64Å; R64-E75 IonicContact CZ-OE2 3.66Å; R64-E75 IonicContact NE-OE2 3.51Å; R64-E75 IonicContact NH1-OE2 2.76Å; R64-E75 PolarHBondContact NH1-OE2 2.92Å; R64-E75 IonicContact NH2-OE2 2.91Å; R64-E75 PolarHBondContact NH2-OE2 3.5Å; R64-E75 VanDerWaalsContact NH2-OE2 3.12Å; R64-E75 PolarHBondContact O-N 3.45Å; E75-G85 WeakPolarHBondContact CA-O 3.45Å; E75-I86 HydrophobicContact CB-CG1 4.22Å; E75-I86 HydrophobicContact CG-CG1 4.03Å
76S94.5Very high92.1Very high0 Ų056.8 Ų56.80%028%0.281CS..EExtended strand (participates in β ladder)trans-102.7144.8174.5114.60000111C80 G83 Q84 G85S76-C80 VanDerWaalsContact CB-SG 3.56Å; S76-C80 WeakPolarHBondContact OG-CB 3.08Å; S76-C80 PolarHBondContact OG-SG 3Å; S76-G83 PolarHBondContact OG-O 3.2Å; S76-Q84 WeakPolarHBondContact O-CA 3.22Å; S76-G85 PolarHBondContact N-O 3.47Å; S76-G85 PolarHBondContact O-N 2.79Å
77G91.7Very high92.1Very high6 Ų658.6 Ų58.66%0.06229%0.289CS..PPolyproline II helixtrans-82.6171.7-179.200000114.5C61 R79 C80 G83C61-G77 PolarHBondContact O-N 2.87Å; G77-R79 PolarHBondContact O-N 3.23Å; G77-C80 WeakPolarHBondContact O-CB 3.32Å; G77-C80 PolarHBondContact O-N 2.85Å; G77-C80 VanDerWaalsContact O-N 3.14Å; G77-C80 PolarHBondContact O-SG 3.19Å; G77-G83 CarbonylContact O-C 3.55Å
78R91.6Very high92.2Very high191 Ų19156.3 Ų56.372%0.72128%0.284SS*.THydrogen-bonded Turntrans-60.3-15.3-180-65.2-178.8-175.1-179.11.9115Q84R78-Q84 HydrophobicContact CB-CB 4.49Å; R78-Q84 HydrophobicContact CG-CB 3.65Å; R78-Q84 HydrophobicContact CG-CG 4.45Å
79R87.6Confident92.3Very high230 Ų23055.2 Ų55.287%0.86828%0.278SS*.THydrogen-bonded Turntrans-86.2-11.4-178.1-59.2-178.3-168.4-115.85.1112.8G77G77-R79 PolarHBondContact O-N 3.23Å
80C88.8Confident92.6Very high10 Ų1054.5 Ų54.57%0.06826%0.263CS..SBendtrans-69.4155175.9-62.50000111.5C61 S76 G77 T82 G83C61-C80 WeakPolarHBondContact CB-SG 3.47Å; S76-C80 VanDerWaalsContact CB-SG 3.56Å; S76-C80 WeakPolarHBondContact OG-CB 3.08Å; S76-C80 PolarHBondContact OG-SG 3Å; G77-C80 WeakPolarHBondContact O-CB 3.32Å; G77-C80 PolarHBondContact O-N 2.85Å; G77-C80 VanDerWaalsContact O-N 3.14Å; G77-C80 PolarHBondContact O-SG 3.19Å; C80-T82 PolarHBondContact O-N 3.13Å; C80-G83 PolarHBondContact O-N 3.21Å
81Q84.6Confident92.7Very high148 Ų14850.8 Ų50.869%0.69224%0.243SC*.THydrogen-bonded Turntrans-57.1-34.8174.5-174.5-176.822.600112.5G83Q81-G83 VanDerWaalsContact C-N 3.32Å
82T88.1Confident92.6Very high59 Ų5954.4 Ų54.436%0.36227%0.271SS..THydrogen-bonded Turntrans-82.7-7.4176.643.10000114.1V55 W57 C80 F87V55-T82 HydrophobicContact CG1-CG2 3.35Å; V55-T82 HydrophobicContact CG2-CG2 4.46Å; W57-T82 HydrophobicContact CZ2-CG2 4.27Å; W57-T82 PolarHBondContact NE1-OG1 3.47Å; C80-T82 PolarHBondContact O-N 3.13Å; T82-F87 HydrophobicContact CG2-CZ 4.31Å
83G90.1Very high92.4Very high21 Ų2155.8 Ų55.822%0.21628%0.277CS..  trans75.7-169.7-17400000113.7S76 G77 C80 Q81 G85S76-G83 PolarHBondContact OG-O 3.2Å; G77-G83 CarbonylContact O-C 3.55Å; C80-G83 PolarHBondContact O-N 3.21Å; Q81-G83 VanDerWaalsContact C-N 3.32Å; G83-G85 PolarHBondContact O-N 3.25Å
84Q93Very high92.3Very high95 Ų9555.6 Ų55.644%0.44428%0.275SS..SBendtrans-72.4128.9179.6175.7176.2-1.200110.6R63 S76 R78R63-Q84 VanDerWaalsContact NH1-CD 3.29Å; S76-Q84 WeakPolarHBondContact O-CA 3.22Å; R78-Q84 HydrophobicContact CB-CB 4.49Å; R78-Q84 HydrophobicContact CG-CB 3.65Å; R78-Q84 HydrophobicContact CG-CG 4.45Å
85G92.7Very high92.2Very high23 Ų2360.7 Ų60.724%0.23730%0.299CS..EExtended strand (participates in β ladder)trans-179.1160.5179.700000112.7E75 S76 G83E75-G85 WeakPolarHBondContact CA-O 3.45Å; S76-G85 PolarHBondContact N-O 3.47Å; S76-G85 PolarHBondContact O-N 2.79Å; G83-G85 PolarHBondContact O-N 3.25Å
86I94.1Very high92Very high85 Ų8564.1 Ų64.144%0.43632%0.315SS..EExtended strand (participates in β ladder)trans-98.4130.5169.3-58.4173.7000106.8F74 E75F74-I86 WeakPolarHBondContact O-CA 3.5Å; E75-I86 HydrophobicContact CB-CG1 4.22Å; E75-I86 HydrophobicContact CG-CG1 4.03Å
87F94.3Very high91.9Very high39 Ų3964.1 Ų64.117%0.17132%0.315CS..EExtended strand (participates in β ladder)trans-115.9132.5176.7-58.4-84.9000108.5W57 S73 F74 T82 F89W57-F87 HydrophobicContact CZ2-CD1 4.13Å; W57-F87 HydrophobicContact CZ2-CD2 4.2Å; W57-F87 HydrophobicContact CZ2-CE1 4.19Å; W57-F87 HydrophobicContact CZ2-CE2 4.26Å; W57-F87 HydrophobicContact CZ2-CG 4.14Å; W57-F87 HydrophobicContact CZ2-CZ 4.26Å; W57-F87 AromaticContact NE1-CE2 3.64Å; S73-F87 CarbonylContact C-O 3.5Å; S73-F87 WeakPolarHBondContact CA-O 3.47Å; S73-F87 WeakPolarHBondContact CB-O 3.23Å; F74-F87 HydrophobicContact CD2-CD2 4.21Å; F74-F87 HydrophobicContact CE1-CB 4.16Å; F74-F87 HydrophobicContact CE2-CB 4.19Å; F74-F87 AromaticContact CE2-CD2 3.62Å; F74-F87 HydrophobicContact CE2-CD2 3.62Å; F74-F87 HydrophobicContact CE2-CE2 4.46Å; F74-F87 HydrophobicContact CE2-CG 4.22Å; F74-F87 HydrophobicContact CZ-CB 3.95Å; F74-F87 HydrophobicContact CZ-CD2 4.07Å; F74-F87 HydrophobicContact CZ-CG 4.23Å; F74-F87 PolarHBondContact N-O 2.84Å; F74-F87 PolarHBondContact O-N 3.07Å; T82-F87 HydrophobicContact CG2-CZ 4.31Å; F87-F89 HydrophobicContact CB-CD2 4.39Å; F87-F89 HydrophobicContact CB-CE2 3.51Å; F87-F89 HydrophobicContact CB-CZ 3.99Å
88A95.5Very high92Very high21 Ų2164.3 Ų64.317%0.17431%0.314CS..EExtended strand (participates in β ladder)trans-125.6139.1179.300000109.6V26 L71 F72V26-A88 HydrophobicContact CG2-CB 3.61Å; V26-A88 WeakPolarHBondContact CG2-O 3.45Å; V26-A88 PolarHBondContact N-O 2.86Å; V26-A88 VanDerWaalsContact N-O 3.07Å; L71-A88 HydrophobicContact CD1-CB 4.33Å; F72-A88 CarbonylContact O-C 3.13Å
89F95.8Very high92.1Very high0 Ų058.8 Ų58.80%030%0.299CS..EExtended strand (participates in β ladder)trans-138.9115.9-169.4-68.1-74.4000110.1V23 I24 N25 M38 L47 W57 L71 F72 F74 F87 C91V23-F89 HydrophobicContact CB-CB 4.05Å; V23-F89 HydrophobicContact CB-CD1 4.19Å; V23-F89 HydrophobicContact CB-CG 4.41Å; V23-F89 HydrophobicContact CG1-CB 4.39Å; V23-F89 HydrophobicContact CG2-CD1 3.87Å; V23-F89 HydrophobicContact CG2-CE1 4.49Å; V23-F89 HydrophobicContact CG2-CG 4.43Å; I24-F89 CarbonylContact O-C 3.59Å; I24-F89 VanDerWaalsContact O-CA 3.27Å; I24-F89 WeakPolarHBondContact O-CA 3.46Å; N25-F89 HydrophobicContact CB-CD1 4.15Å; N25-F89 HydrophobicContact CB-CE1 3.9Å; M38-F89 HydrophobicContact CE-CD1 4.27Å; M38-F89 HydrophobicContact CE-CD2 3.72Å; M38-F89 HydrophobicContact CE-CE1 4.12Å; M38-F89 HydrophobicContact CE-CE2 3.54Å; M38-F89 HydrophobicContact CE-CG 4.08Å; M38-F89 HydrophobicContact CE-CZ 3.75Å; L47-F89 HydrophobicContact CD1-CE1 4.05Å; L47-F89 HydrophobicContact CD2-CE1 3.69Å; L47-F89 HydrophobicContact CD2-CZ 3.91Å; L47-F89 HydrophobicContact CG-CE1 4.49Å; W57-F89 HydrophobicContact CH2-CZ 4.15Å; L71-F89 CarbonylContact C-O 3.47Å; L71-F89 WeakPolarHBondContact CA-O 3.37Å; F72-F89 HydrophobicContact CD1-CD2 4.29Å; F72-F89 PolarHBondContact N-O 2.9Å; F72-F89 PolarHBondContact O-N 3.43Å; F74-F89 HydrophobicContact CD1-CE2 4.36Å; F74-F89 HydrophobicContact CE1-CD2 4.04Å; F74-F89 AromaticContact CE1-CE2 3.49Å; F74-F89 HydrophobicContact CE1-CE2 3.49Å; F74-F89 VanDerWaalsContact CE1-CE2 3.49Å; F74-F89 HydrophobicContact CZ-CE2 4.02Å; F87-F89 HydrophobicContact CB-CD2 4.39Å; F87-F89 HydrophobicContact CB-CE2 3.51Å; F87-F89 HydrophobicContact CB-CZ 3.99Å; F89-C91 PolarHBondContact O-N 2.78Å
90K94.5Very high92.2Very high80 Ų8049.5 Ų49.535%0.34827%0.266SS..EExtended strand (participates in β ladder)trans-74.6122.7172.8-174.4177.9173.6-173.70109.5V23 I24 V26 E32 N70 L71V23-K90 CarbonylContact C-O 3.6Å; V23-K90 WeakPolarHBondContact CA-O 3.34Å; I24-K90 HydrophobicContact CB-CB 4.27Å; I24-K90 PolarHBondContact N-O 2.65Å; I24-K90 PolarHBondContact O-N 3.31Å; V26-K90 HydrophobicContact CG1-CB 4.11Å; E32-K90 IonicContact OE1-NZ 3.57Å; E32-K90 PolarHBondContact OE1-NZ 2.81Å; N70-K90 CarbonylContact O-C 3.59Å; N70-K90 VanDerWaalsContact O-CA 3.24Å; N70-K90 WeakPolarHBondContact O-CA 3.43Å; L71-K90 HydrophobicContact CD1-CB 4.41Å
91C93.6Very high92.4Very high5 Ų549 Ų493%0.03426%0.263CS..  trans-152.5131.2-176.4-171.80000110.2K22 V23 N70 F89 R93 A94 I97K22-C91 PolarHBondContact O-SG 3.48Å; V23-C91 HydrophobicContact CG1-CB 3.94Å; N70-C91 CarbonylContact C-O 3.43Å; N70-C91 WeakPolarHBondContact CA-O 3.47Å; N70-C91 CarbonylContact O-C 3.56Å; N70-C91 PolarHBondContact O-N 3.04Å; N70-C91 VanDerWaalsContact O-O 3.07Å; F89-C91 PolarHBondContact O-N 2.78Å; C91-R93 PolarHBondContact O-N 3.38Å; C91-R93 PolarHBondContact SG-N 2.85Å; C91-R93 VanDerWaalsContact SG-N 3.42Å; C91-A94 HydrophobicContact CB-CB 4.36Å; C91-A94 WeakPolarHBondContact O-CB 3.47Å; C91-A94 PolarHBondContact O-N 3.35Å; C91-I97 HydrophobicContact CB-CD1 4.29Å
92S92.2Very high92.7Very high107 Ų10744.9 Ų44.975%0.74824%0.243SC*.THydrogen-bonded Turntrans-65.2-24.8173.950.20000113.4
93R91.1Very high92.8Very high29 Ų2947.8 Ų47.811%0.10925%0.252CS..THydrogen-bonded Turntrans-104.730.8-178.9-62.7174.864.5-152-6.8111.4D15 H17 F21 C91 E95 E96 I97D15-R93 PolarHBondContact O-NH1 3.46Å; H17-R93 PolarHBondContact O-NH1 2.73Å; H17-R93 PolarHBondContact O-NH2 2.72Å; F21-R93 HydrophobicContact CD1-CB 3.69Å; F21-R93 HydrophobicContact CE1-CB 4.1Å; C91-R93 PolarHBondContact O-N 3.38Å; C91-R93 PolarHBondContact SG-N 2.85Å; C91-R93 VanDerWaalsContact SG-N 3.42Å; R93-E95 VanDerWaalsContact C-N 3.26Å; R93-E95 PolarHBondContact O-N 3.42Å; R93-E96 HydrophobicContact CB-CB 4.36Å; R93-E96 HydrophobicContact CB-CG 4.43Å; R93-E96 VanDerWaalsContact CG-OE1 3.27Å; R93-E96 WeakPolarHBondContact CG-OE1 3.17Å; R93-E96 IonicContact CZ-OE1 3.66Å; R93-E96 IonicContact CZ-OE2 2.85Å; R93-E96 VanDerWaalsContact CZ-OE2 3.27Å; R93-E96 VanDerWaalsContact NE-CD 3.26Å; R93-E96 IonicContact NE-OE1 3.27Å; R93-E96 PolarHBondContact NE-OE1 2.91Å; R93-E96 IonicContact NE-OE2 2.74Å; R93-E96 PolarHBondContact NE-OE2 3.24Å; R93-E96 IonicContact NH2-OE1 3.62Å; R93-E96 IonicContact NH2-OE2 3.03Å; R93-E96 PolarHBondContact NH2-OE2 3.27Å; R93-E96 PolarHBondContact O-N 2.78Å; R93-E96 VanDerWaalsContact O-N 3.14Å; R93-I97 PolarHBondContact O-N 2.86Å
94A93.4Very high92.7Very high0 Ų047.7 Ų47.70%025%0.248CC..Hα-helixtrans-58.8-37.5-178.300000112.7F72 C91 I97 F98F72-A94 HydrophobicContact CB-CB 4.02Å; C91-A94 HydrophobicContact CB-CB 4.36Å; C91-A94 WeakPolarHBondContact O-CB 3.47Å; C91-A94 PolarHBondContact O-N 3.35Å; A94-I97 PolarHBondContact O-N 3.04Å; A94-F98 PolarHBondContact O-N 2.8Å; A94-F98 VanDerWaalsContact O-N 3.07Å
95E93Very high92.5Very high108 Ų10843.4 Ų43.451%0.50523%0.228SC..Hα-helixtrans-61.7-42175-175.2-174.3169.200112.2Y67 R93 F98 N99Y67-E95 HydrophobicContact CD2-CB 4.28Å; Y67-E95 HydrophobicContact CE2-CB 4.04Å; Y67-E95 HydrophobicContact CE2-CG 4.15Å; R93-E95 VanDerWaalsContact C-N 3.26Å; R93-E95 PolarHBondContact O-N 3.42Å; E95-F98 WeakPolarHBondContact O-CB 3.38Å; E95-F98 PolarHBondContact O-N 3.18Å; E95-N99 PolarHBondContact O-N 2.74Å; E95-N99 PolarHBondContact O-ND2 2.9Å
96E92.4Very high92.1Very high90 Ų9049.5 Ų49.542%0.42125%0.25SC..Hα-helixtrans-65.9-40.8179.3-64.8-179.5-123.800111.9F21 R93 F98 N99 M100F21-E96 HydrophobicContact CE1-CB 3.68Å; F21-E96 HydrophobicContact CZ-CB 4.15Å; R93-E96 HydrophobicContact CB-CB 4.36Å; R93-E96 HydrophobicContact CB-CG 4.43Å; R93-E96 VanDerWaalsContact CG-OE1 3.27Å; R93-E96 WeakPolarHBondContact CG-OE1 3.17Å; R93-E96 IonicContact CZ-OE1 3.66Å; R93-E96 IonicContact CZ-OE2 2.85Å; R93-E96 VanDerWaalsContact CZ-OE2 3.27Å; R93-E96 VanDerWaalsContact NE-CD 3.26Å; R93-E96 IonicContact NE-OE1 3.27Å; R93-E96 PolarHBondContact NE-OE1 2.91Å; R93-E96 IonicContact NE-OE2 2.74Å; R93-E96 PolarHBondContact NE-OE2 3.24Å; R93-E96 IonicContact NH2-OE1 3.62Å; R93-E96 IonicContact NH2-OE2 3.03Å; R93-E96 PolarHBondContact NH2-OE2 3.27Å; R93-E96 PolarHBondContact O-N 2.78Å; R93-E96 VanDerWaalsContact O-N 3.14Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 3.42Å; E96-N99 PolarHBondContact O-N 3.43Å; E96-M100 WeakPolarHBondContact O-CB 3.17Å; E96-M100 PolarHBondContact O-N 3.14Å
97I92.9Very high91.7Very high0 Ų050.5 Ų50.50%026%0.256CS..Hα-helixtrans-57.5-47.3173-66.5170.9000109.8F21 V23 L40 F72 C91 R93 A94 L101F21-I97 HydrophobicContact CB-CD1 3.71Å; F21-I97 HydrophobicContact CB-CG1 3.97Å; F21-I97 HydrophobicContact CD1-CD1 4.3Å; F21-I97 HydrophobicContact CD1-CG1 3.74Å; F21-I97 HydrophobicContact CD2-CD1 4.1Å; F21-I97 HydrophobicContact CD2-CG1 3.45Å; F21-I97 VanDerWaalsContact CD2-CG1 3.45Å; F21-I97 HydrophobicContact CE1-CG1 4.03Å; F21-I97 HydrophobicContact CE2-CG1 3.79Å; F21-I97 HydrophobicContact CG-CD1 3.78Å; F21-I97 HydrophobicContact CG-CG1 3.43Å; F21-I97 VanDerWaalsContact CG-CG1 3.43Å; F21-I97 HydrophobicContact CZ-CG1 4.06Å; V23-I97 HydrophobicContact CG1-CD1 4.09Å; L40-I97 HydrophobicContact CD1-CG2 4.18Å; L40-I97 HydrophobicContact CD2-CG2 4.43Å; F72-I97 HydrophobicContact CB-CD1 4.48Å; F72-I97 HydrophobicContact CD1-CG2 3.8Å; F72-I97 HydrophobicContact CD2-CB 4.28Å; F72-I97 HydrophobicContact CD2-CG2 3.63Å; F72-I97 HydrophobicContact CE1-CG2 3.69Å; F72-I97 HydrophobicContact CE2-CG2 3.54Å; F72-I97 HydrophobicContact CG-CB 4.39Å; F72-I97 HydrophobicContact CG-CD1 4.5Å; F72-I97 HydrophobicContact CG-CG2 3.76Å; F72-I97 HydrophobicContact CZ-CG2 3.57Å; C91-I97 HydrophobicContact CB-CD1 4.29Å; R93-I97 PolarHBondContact O-N 2.86Å; A94-I97 PolarHBondContact O-N 3.04Å; I97-L101 VanDerWaalsContact O-CB 3.24Å; I97-L101 WeakPolarHBondContact O-CB 3.24Å; I97-L101 PolarHBondContact O-N 3.35Å
98F92.8Very high90.9Very high9 Ų953 Ų534%0.03927%0.268CS..Hα-helixtrans-62.9-49.5-178.9176.2-96.7000112.3Y65 Y67 A94 E95 E96 M100 L101 Q102 V189Y65-F98 AromaticContact CD2-CD2 3.59Å; Y65-F98 HydrophobicContact CD2-CD2 3.59Å; Y65-F98 AromaticContact CD2-CE2 3.44Å; Y65-F98 HydrophobicContact CD2-CE2 3.44Å; Y65-F98 VanDerWaalsContact CD2-CE2 3.44Å; Y65-F98 AromaticContact CE2-CD2 3.87Å; Y65-F98 HydrophobicContact CE2-CD2 3.87Å; Y65-F98 AromaticContact CE2-CE2 3.43Å; Y65-F98 HydrophobicContact CE2-CE2 3.43Å; Y65-F98 VanDerWaalsContact CE2-CE2 3.43Å; Y65-F98 HydrophobicContact CE2-CZ 4.13Å; Y67-F98 HydrophobicContact CD1-CB 3.65Å; Y67-F98 AromaticContact CD1-CD1 3.5Å; Y67-F98 HydrophobicContact CD1-CD1 3.5Å; Y67-F98 VanDerWaalsContact CD1-CD1 3.5Å; Y67-F98 AromaticContact CD1-CD2 3.67Å; Y67-F98 HydrophobicContact CD1-CD2 3.67Å; Y67-F98 HydrophobicContact CD1-CE1 4.01Å; Y67-F98 HydrophobicContact CD1-CE2 4.19Å; Y67-F98 AromaticContact CD1-CG 3.3Å; Y67-F98 HydrophobicContact CD1-CG 3.3Å; Y67-F98 HydrophobicContact CD1-CZ 4.35Å; Y67-F98 HydrophobicContact CE1-CB 4.37Å; Y67-F98 AromaticContact CE1-CD1 3.5Å; Y67-F98 HydrophobicContact CE1-CD1 3.5Å; Y67-F98 VanDerWaalsContact CE1-CD1 3.5Å; Y67-F98 HydrophobicContact CE1-CD2 4.43Å; Y67-F98 AromaticContact CE1-CE1 3.8Å; Y67-F98 HydrophobicContact CE1-CE1 3.8Å; Y67-F98 AromaticContact CE1-CG 3.85Å; Y67-F98 HydrophobicContact CE1-CG 3.85Å; Y67-F98 HydrophobicContact CE1-CZ 4.42Å; Y67-F98 HydrophobicContact CG-CB 4.04Å; Y67-F98 HydrophobicContact CG-CG 4.17Å; A94-F98 PolarHBondContact O-N 2.8Å; A94-F98 VanDerWaalsContact O-N 3.07Å; E95-F98 WeakPolarHBondContact O-CB 3.38Å; E95-F98 PolarHBondContact O-N 3.18Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 3.42Å; F98-M100 VanDerWaalsContact C-N 3.34Å; F98-M100 PolarHBondContact O-N 3.19Å; F98-L101 PolarHBondContact O-N 3.06Å; F98-Q102 HydrophobicContact CD1-CG 4.38Å; F98-Q102 HydrophobicContact CE1-CG 3.98Å; F98-Q102 HydrophobicContact CE2-CG 4.39Å; F98-Q102 VanDerWaalsContact CZ-CD 3.45Å; F98-Q102 HydrophobicContact CZ-CG 3.95Å; F98-Q102 WeakPolarHBondContact O-CG 3.48Å; F98-Q102 PolarHBondContact O-N 3.09Å; F98-V189 HydrophobicContact CE2-CB 4.41Å; F98-V189 HydrophobicContact CE2-CG2 4.17Å; F98-V189 HydrophobicContact CZ-CB 4.13Å; F98-V189 HydrophobicContact CZ-CG2 3.64Å
99N92.9Very high90.1Very high75 Ų7557.4 Ų57.440%0.40130%0.298SS..Hα-helixtrans-60.7-43.8-179.8-73.1-28.3000111.8E95 E96 Q102 E103E95-N99 PolarHBondContact O-N 2.74Å; E95-N99 PolarHBondContact O-ND2 2.9Å; E96-N99 PolarHBondContact O-N 3.43Å; N99-Q102 WeakPolarHBondContact O-CB 3.23Å; N99-Q102 PolarHBondContact O-N 3.17Å; N99-E103 PolarHBondContact O-N 3.33Å
100M91.3Very high89.3Confident36 Ų3659 Ų5918%0.17731%0.306CS..Hα-helixtrans-69.4-37.9178-175.7159.155.500112Q18 F21 L40 E96 F98 Q102 E103 V104Q18-M100 VanDerWaalsContact O-CE 3.26Å; Q18-M100 WeakPolarHBondContact O-CE 3.37Å; F21-M100 HydrophobicContact CE2-CE 3.25Å; F21-M100 HydrophobicContact CZ-CE 3.44Å; F21-M100 VanDerWaalsContact CZ-CE 3.44Å; L40-M100 HydrophobicContact CB-CE 3.99Å; L40-M100 HydrophobicContact CD1-CE 4.1Å; L40-M100 HydrophobicContact CD2-CB 3.97Å; L40-M100 HydrophobicContact CD2-CE 3.76Å; L40-M100 HydrophobicContact CD2-CG 3.93Å; L40-M100 HydrophobicContact CG-CE 4.15Å; E96-M100 WeakPolarHBondContact O-CB 3.17Å; E96-M100 PolarHBondContact O-N 3.14Å; F98-M100 VanDerWaalsContact C-N 3.34Å; F98-M100 PolarHBondContact O-N 3.19Å; M100-Q102 VanDerWaalsContact C-N 3.31Å; M100-Q102 PolarHBondContact O-N 3.31Å; M100-E103 PolarHBondContact O-N 3.42Å; M100-V104 HydrophobicContact CG-CG2 4.36Å; M100-V104 WeakPolarHBondContact O-CB 3.42Å; M100-V104 VanDerWaalsContact O-CG2 3.25Å; M100-V104 WeakPolarHBondContact O-CG2 3.12Å; M100-V104 PolarHBondContact O-N 3.49Å
101L92Very high88.2Confident0 Ų059 Ų590%032%0.316CS..Hα-helixtrans-61.3-42.1173.7-176.162.3000111L40 Y59 L62 Y65 F72 I97 F98 V104 M105L40-L101 HydrophobicContact CD2-CB 4.03Å; Y59-L101 HydrophobicContact CD1-CD1 3.49Å; Y59-L101 VanDerWaalsContact CD1-CD1 3.49Å; Y59-L101 HydrophobicContact CE1-CD1 3.29Å; L62-L101 HydrophobicContact CD1-CD1 4.29Å; L62-L101 HydrophobicContact CD1-CD2 4.32Å; Y65-L101 HydrophobicContact CD1-CD2 4.09Å; Y65-L101 HydrophobicContact CD2-CD2 3.73Å; Y65-L101 HydrophobicContact CD2-CG 4.36Å; Y65-L101 HydrophobicContact CE2-CD2 4.34Å; Y65-L101 HydrophobicContact CE2-CG 4.49Å; Y65-L101 HydrophobicContact CG-CD2 3.6Å; Y65-L101 HydrophobicContact CG-CG 4.45Å; F72-L101 HydrophobicContact CE2-CD2 4.16Å; F72-L101 HydrophobicContact CZ-CD2 3.9Å; I97-L101 VanDerWaalsContact O-CB 3.24Å; I97-L101 WeakPolarHBondContact O-CB 3.24Å; I97-L101 PolarHBondContact O-N 3.35Å; F98-L101 PolarHBondContact O-N 3.06Å; L101-V104 PolarHBondContact O-N 2.89Å; L101-M105 HydrophobicContact CD1-CG 4.25Å; L101-M105 HydrophobicContact CD1-SD 4.17Å; L101-M105 HydrophobicContact CG-CG 4.46Å; L101-M105 HydrophobicContact CG-SD 4.05Å; L101-M105 WeakPolarHBondContact O-CB 3.41Å; L101-M105 WeakPolarHBondContact O-CG 3.46Å; L101-M105 PolarHBondContact O-N 3.18Å
102Q90.7Very high86.7Confident60 Ų6059.7 Ų59.728%0.2832%0.32SS..Hα-helixtrans-59.8-46174.2-72.9-173.3-63.400112.2Y65 F98 N99 M100 M105 H106Y65-Q102 HydrophobicContact CE2-CG 3.71Å; F98-Q102 HydrophobicContact CD1-CG 4.38Å; F98-Q102 HydrophobicContact CE1-CG 3.98Å; F98-Q102 HydrophobicContact CE2-CG 4.39Å; F98-Q102 VanDerWaalsContact CZ-CD 3.45Å; F98-Q102 HydrophobicContact CZ-CG 3.95Å; F98-Q102 WeakPolarHBondContact O-CG 3.48Å; F98-Q102 PolarHBondContact O-N 3.09Å; N99-Q102 WeakPolarHBondContact O-CB 3.23Å; N99-Q102 PolarHBondContact O-N 3.17Å; M100-Q102 VanDerWaalsContact C-N 3.31Å; M100-Q102 PolarHBondContact O-N 3.31Å; Q102-M105 PolarHBondContact O-N 3.08Å; Q102-H106 WeakPolarHBondContact O-CB 3.41Å; Q102-H106 PolarHBondContact O-N 3.17Å
103E90.1Very high85Confident120 Ų12058.1 Ų58.156%0.56131%0.306SS*.Hα-helixtrans-61.4-47.7178.3-176.6178.6-178.200111.4N99 M100 M105 H106 N107N99-E103 PolarHBondContact O-N 3.33Å; M100-E103 PolarHBondContact O-N 3.42Å; E103-M105 VanDerWaalsContact C-N 3.33Å; E103-M105 PolarHBondContact O-N 3.15Å; E103-H106 PolarHBondContact O-N 3.44Å; E103-N107 WeakPolarHBondContact O-CB 3.26Å; E103-N107 PolarHBondContact O-N 3.33Å; E103-N107 PolarHBondContact O-ND2 2.87Å
104V88.8Confident83Confident20 Ų2065.4 Ų65.412%0.12134%0.341CS..Hα-helixtrans-61.8-42.2178.4172.70000111Y59 M100 L101 N107 H108Y59-V104 HydrophobicContact CD2-CG1 3.73Å; Y59-V104 HydrophobicContact CE2-CG1 3.26Å; M100-V104 HydrophobicContact CG-CG2 4.36Å; M100-V104 WeakPolarHBondContact O-CB 3.42Å; M100-V104 VanDerWaalsContact O-CG2 3.25Å; M100-V104 WeakPolarHBondContact O-CG2 3.12Å; M100-V104 PolarHBondContact O-N 3.49Å; L101-V104 PolarHBondContact O-N 2.89Å; V104-N107 PolarHBondContact O-N 3.21Å; V104-H108 WeakPolarHBondContact CG1-ND1 3.47Å; V104-H108 WeakPolarHBondContact O-CB 3.46Å; V104-H108 PolarHBondContact O-N 2.82Å; V104-H108 PolarHBondContact O-ND1 2.86Å
105M88.2Confident80.5Confident4 Ų472.4 Ų72.42%0.0237%0.374CS..Hα-helixtrans-67.7-37.5177.9-71.6-173.777.300112.4Y65 L101 Q102 E103 S109 I110 V112Y65-M105 HydrophobicContact CD1-SD 3.8Å; Y65-M105 HydrophobicContact CE1-CE 3.87Å; Y65-M105 HydrophobicContact CE1-SD 3.17Å; Y65-M105 WeakPolarHBondContact CE1-SD 3.45Å; L101-M105 HydrophobicContact CD1-CG 4.25Å; L101-M105 HydrophobicContact CD1-SD 4.17Å; L101-M105 HydrophobicContact CG-CG 4.46Å; L101-M105 HydrophobicContact CG-SD 4.05Å; L101-M105 WeakPolarHBondContact O-CB 3.41Å; L101-M105 WeakPolarHBondContact O-CG 3.46Å; L101-M105 PolarHBondContact O-N 3.18Å; Q102-M105 PolarHBondContact O-N 3.08Å; E103-M105 VanDerWaalsContact C-N 3.33Å; E103-M105 PolarHBondContact O-N 3.15Å; M105-S109 PolarHBondContact O-N 2.82Å; M105-I110 HydrophobicContact CE-CB 4.29Å; M105-I110 HydrophobicContact CE-CG2 3.67Å; M105-I110 PolarHBondContact O-N 2.93Å; M105-V112 HydrophobicContact CE-CB 4.07Å; M105-V112 HydrophobicContact CE-CG1 3.46Å; M105-V112 VanDerWaalsContact CE-CG1 3.46Å; M105-V112 HydrophobicContact CE-CG2 3.78Å
106H85.5Confident77.9Confident152 Ų15270.6 Ų70.670%0.70438%0.377SS*.Hα-helixtrans-66.8-46.1174.8-171.567.7000112Q102 E103 H108 S109Q102-H106 WeakPolarHBondContact O-CB 3.41Å; Q102-H106 PolarHBondContact O-N 3.17Å; E103-H106 PolarHBondContact O-N 3.44Å; H106-H108 VanDerWaalsContact C-N 3.28Å; H106-H108 PolarHBondContact O-N 3.15Å; H106-S109 PolarHBondContact O-N 3.34Å
107N84.1Confident75.5Confident105 Ų10572.7 Ų72.756%0.56140%0.396SS*.Hα-helixtrans-60.9-37.2178.6-72.6-20000112E103 V104 S109E103-N107 WeakPolarHBondContact O-CB 3.26Å; E103-N107 PolarHBondContact O-N 3.33Å; E103-N107 PolarHBondContact O-ND2 2.87Å; V104-N107 PolarHBondContact O-N 3.21Å; N107-S109 VanDerWaalsContact C-N 3.29Å; N107-S109 PolarHBondContact O-N 2.85Å
108H78.4Confident73.2Confident91 Ų9178.4 Ų78.442%0.42143%0.426SS..THydrogen-bonded Turntrans-85.75.1176.4-64.9105.2000114.2E42 V104 H106 I110E42-H108 PolarHBondContact O-CE1 3.35Å; E42-H108 PolarHBondContact O-ND1 3.2Å; E42-H108 PolarHBondContact O-NE2 3.32Å; V104-H108 WeakPolarHBondContact CG1-ND1 3.47Å; V104-H108 WeakPolarHBondContact O-CB 3.46Å; V104-H108 PolarHBondContact O-N 2.82Å; V104-H108 PolarHBondContact O-ND1 2.86Å; H106-H108 VanDerWaalsContact C-N 3.28Å; H106-H108 PolarHBondContact O-N 3.15Å; H108-I110 HydrophobicContact CB-CD1 3.63Å; H108-I110 HydrophobicContact CB-CG1 3.7Å; H108-I110 PolarHBondContact O-N 2.87Å
109S77.9Confident70.5Confident114 Ų11484.8 Ų84.880%0.79746%0.461SS*.THydrogen-bonded Turntrans52.433.6-175-58.10000113.3M105 H106 N107M105-S109 PolarHBondContact O-N 2.82Å; H106-S109 PolarHBondContact O-N 3.34Å; N107-S109 VanDerWaalsContact C-N 3.29Å; N107-S109 PolarHBondContact O-N 2.85Å
110I78.9Confident68.1Low33 Ų3387.3 Ų87.317%0.16948%0.481CS..  trans-90.9109.1179.8-58.8174.7000108.4L60 M105 H108L60-I110 HydrophobicContact CD2-CD1 3.93Å; L60-I110 HydrophobicContact CD2-CG1 3.83Å; L60-I110 HydrophobicContact CD2-CG2 3.99Å; L60-I110 HydrophobicContact CG-CD1 4.11Å; M105-I110 HydrophobicContact CE-CB 4.29Å; M105-I110 HydrophobicContact CE-CG2 3.67Å; M105-I110 PolarHBondContact O-N 2.93Å; H108-I110 HydrophobicContact CB-CD1 3.63Å; H108-I110 HydrophobicContact CB-CG1 3.7Å; H108-I110 PolarHBondContact O-N 2.87Å
111S71.8Confident65.4Low81 Ų8192.3 Ų92.357%0.56651%0.508SS*.  trans-93.7120.5169.7-174.80000109.7V113S111-V113 PolarHBondContact O-N 3.32Å; S111-V113 WeakPolarHBondContact OG-CB 3.46Å; S111-V113 WeakPolarHBondContact OG-CG2 3.28Å; S111-V113 PolarHBondContact OG-N 3.01Å
112V63.2Low63Low20 Ų20101.5 Ų101.512%0.12155%0.551CS.*  trans-75.32171-102.40000113.4L62 Y65 M105 E114L62-V112 HydrophobicContact CB-CG1 4.3Å; L62-V112 VanDerWaalsContact O-CG1 3.22Å; L62-V112 WeakPolarHBondContact O-CG1 3.19Å; Y65-V112 HydrophobicContact CD1-CG1 4.46Å; Y65-V112 HydrophobicContact CD1-CG2 4.27Å; Y65-V112 HydrophobicContact CE1-CG1 4.41Å; Y65-V112 HydrophobicContact CE1-CG2 3.56Å; M105-V112 HydrophobicContact CE-CB 4.07Å; M105-V112 HydrophobicContact CE-CG1 3.46Å; M105-V112 VanDerWaalsContact CE-CG1 3.46Å; M105-V112 HydrophobicContact CE-CG2 3.78Å; V112-E114 PolarHBondContact O-N 2.74Å; V112-E114 VanDerWaalsContact O-N 3.15Å
113V55.2Low60.4Low74 Ų74108 Ų10845%0.44858%0.582SS.*SBendtrans-63.8120.8175.91780000108.6S111 E115S111-V113 PolarHBondContact O-N 3.32Å; S111-V113 WeakPolarHBondContact OG-CB 3.46Å; S111-V113 WeakPolarHBondContact OG-CG2 3.28Å; S111-V113 PolarHBondContact OG-N 3.01Å; V113-E115 PolarHBondContact O-N 2.86Å
114E49.1Very low57.7Low182 Ų182106 Ų10685%0.8559%0.593SS**  trans-52.1101.7167.1-175176.6173.100108.5V112 A116V112-E114 PolarHBondContact O-N 2.74Å; V112-E114 VanDerWaalsContact O-N 3.15Å; E114-A116 VanDerWaalsContact C-N 3.3Å; E114-A116 PolarHBondContact O-N 2.96Å
115E41Very low55.2Low146 Ų146109.4 Ų109.468%0.68262%0.623SS**  trans-66.795169.8-166-178.7-170.100106.9V113 V117 L118V113-E115 PolarHBondContact O-N 2.86Å; E115-V117 PolarHBondContact O-N 2.97Å; E115-L118 HydrophobicContact CG-CG 4.3Å
116A39.5Very low52.5Low70 Ų70117.3 Ų117.358%0.57967%0.665SS**  trans-51.9122.715400000105.9E114 L118E114-A116 VanDerWaalsContact C-N 3.3Å; E114-A116 PolarHBondContact O-N 2.96Å; A116-L118 WeakPolarHBondContact O-CD2 3.28Å; A116-L118 WeakPolarHBondContact O-CG 3.37Å; A116-L118 PolarHBondContact O-N 3.23Å
117V41.3Very low49.8Very low134 Ų134116.6 Ų116.681%0.81267%0.671SS**  trans-42.999-176.3179.10000110.7E115E115-V117 PolarHBondContact O-N 2.97Å
118L45.5Very low48.1Very low121 Ų121117.2 Ų117.263%0.63468%0.681SS**  trans-95.6114162.2-16167000104.6E115 A116 P120E115-L118 HydrophobicContact CG-CG 4.3Å; A116-L118 WeakPolarHBondContact O-CD2 3.28Å; A116-L118 WeakPolarHBondContact O-CG 3.37Å; A116-L118 PolarHBondContact O-N 3.23Å; L118-P120 WeakPolarHBondContact O-CD 3.37Å
119D36.1Very low45.6Very low143 Ų143117.5 Ų117.577%0.76570%0.699SS**  trans-47.5121.6171.9-86.1-64.6000111.5N121D119-N121 VanDerWaalsContact C-N 3.26Å; D119-N121 PolarHBondContact O-N 2.76Å
120P41.2Very low43.2Very low128 Ų128116.5 Ų116.583%0.83170%0.698SS**  trans-82.877.4171.133.2-30.4000108.2L118L118-P120 WeakPolarHBondContact O-CD 3.37Å
121N35.9Very low41.2Very low140 Ų140123.7 Ų123.775%0.74974%0.735SS**  trans-146.760168.1-163.933.3000113.6D119D119-N121 VanDerWaalsContact C-N 3.26Å; D119-N121 PolarHBondContact O-N 2.76Å
122Q41Very low39.1Very low194 Ų194122.5 Ų122.591%0.90774%0.737SS**  trans-147.576.7150.9-69.3-162.662.500110.4
123Q35.6Very low37.7Very low196 Ų196132.7 Ų132.792%0.91677%0.774SS**  trans-109.884157.8-76.3174.52.200108.2
124G32.5Very low36.4Very low77 Ų77133.4 Ų133.479%0.79478%0.783SS**  trans-81.9110158.300000108.4
125A36.5Very low35.7Very low92 Ų92131.5 Ų131.576%0.7678%0.783SS**  trans-50.7137-175.200000115.1
126L32.5Very low36.4Very low170 Ų170129.7 Ų129.789%0.8978%0.784SS**  trans-146.5115.2152.8-69.5179.7000111.2
127T29.2Very low35.9Very low138 Ų138133 Ų13385%0.84780%0.797SS**  trans-141.1166.9150.954.50000106.9
128P46.8Very low35.7Very low118 Ų118132.7 Ų132.777%0.76680%0.796SS**  -130.6-178.7-69.935.1-17.1000112
129A27.4Very low35.9Very low97 Ų97131.7 Ų131.780%0.80280%0.796SS**  trans100.6134.7150.600000121.4
130A27.6Very low35.8Very low93 Ų93132.6 Ų132.677%0.76980%0.801SS**  trans80.7100.6137.600000121.3
131L35.3Very low35.2Very low183 Ų183129.6 Ų129.696%0.95879%0.793SS**  24.3123.5121.5-89.6148.3000119.5
132G28.7Very low35Very low57 Ų57129.5 Ų129.559%0.58880%0.797SS**  trans134.1126130.300000118.2
133Y33.1Very low34.5Very low233 Ų233124.6 Ų124.691%0.91479%0.785SS**  trans69.7143.5151.3-71.5-96.3000118.6
134S29.3Very low34.3Very low90 Ų90126.7 Ų126.763%0.62978%0.784SS**  cis179.5140.7-11.747.80000109.7
135V34.7Very low34.4Very low141 Ų141131 Ų13186%0.85579%0.788SS**  trans79.6146.4140.5172.30000120.5
136P55Low35Very low109 Ų109132.1 Ų132.171%0.70879%0.788SS**  trans-119.8175.1-147.241.9-27.2000114.8
137T28.8Very low35Very low139 Ų139129.1 Ų129.185%0.85378%0.781SS**  trans-152.4128.8161.5-630000112
138V36Very low35.3Very low128 Ų128129.4 Ų129.478%0.77678%0.782SS**  trans-121.1-177.8161-63.90000106.6
139P50.3Low34.6Very low99 Ų99127 Ų12764%0.64378%0.778SS**  cis-141.9-169.5-8.233.9-10.6000115.4
140N33.7Very low34.7Very low162 Ų162131.8 Ų131.887%0.86678%0.784SS**  trans78142.9152.6-70.6-3.2000120.4
141G29.8Very low35.1Very low65 Ų65133.4 Ų133.467%0.6779%0.785SS**  cis165.2144.5-200000114.1
142V31.9Very low35.8Very low138 Ų138129.8 Ų129.884%0.83677%0.772SS**  trans88.7126.2133.1-173.60000123.7
143S30.3Very low35.9Very low92 Ų92133.1 Ų133.164%0.64379%0.787SS**  trans85.6120.2144.2-78.90000123.6
144R32Very low36.2Very low240 Ų240130.7 Ų130.791%0.90678%0.783SS**  164141.585.4-116.7172.4-112.8-104.92.7113.2
145L33.4Very low37Very low168 Ų168131.6 Ų131.688%0.8879%0.787SS**  trans-76.9-169.5177.6-63.9157.7000112.9
146P50Low36.9Very low115 Ų115130.8 Ų130.875%0.74779%0.788SS**  cis-147.5175.73.741.1-19.2000119.6
147S32.1Very low35.9Very low106 Ų106131.3 Ų131.374%0.74179%0.789SS**  105.9134.5124.8-138.60000124.8
148V34.9Very low36.5Very low145 Ų145135.8 Ų135.888%0.87979%0.79SS**  trans81.1124.5159.1-160.10000117.8
149G32.3Very low36.6Very low66 Ų66138.2 Ų138.268%0.6879%0.793SS**  cis-176.9151.72.200000112.8
150E29.6Very low36.8Very low198 Ų198138.6 Ų138.693%0.92580%0.795SS**  trans69.8142.6158.9-85.2168.4132.600125
151T35.8Very low37Very low128 Ų128135.9 Ų135.979%0.78579%0.789SS**  trans-126.9-164-150.853.20000110.4
152P49.6Very low37.2Very low107 Ų107139.6 Ų139.670%0.69580%0.798SS**  cis-130.1162.4-41.825.1-4.8000113.6
153S31.5Very low37.1Very low127 Ų127137.4 Ų137.489%0.88880%0.795SS**  trans-172.5118.713321.40000111.3
154H39.7Very low37.7Very low181 Ų181138.6 Ų138.684%0.83880%0.803SS**  trans-91.7-179.5173.9-86.7-74.6000110.6
155P45.5Very low37.8Very low109 Ų109133 Ų13371%0.70880%0.795SS**  cis-134.7174-2729.3-9.3000112.4
156S32.2Very low38.1Very low125 Ų125137 Ų13787%0.87480%0.799SS**  -167.2112.3121.8-154.90000111.7
157T34.4Very low37.6Very low120 Ų120139.5 Ų139.574%0.73681%0.805SS**  trans-100.6135.5-179.9-730000108.8
158R42.1Very low37.9Very low232 Ų232140.4 Ų140.488%0.87581%0.808SS**  trans-39.2133.9158.4-83.8173.7157.1-142.9-3.2112.5
159H38.7Very low37.9Very low180 Ų180139 Ų13983%0.83381%0.805SS**  trans-149.2151.7134-96.4-75.4000110.3
160P54.3Low38.2Very low107 Ų107142.9 Ų142.970%0.69582%0.815SS**  trans-91.4152.5177.836-29.9000111.8
161S36.2Very low38.5Very low104 Ų104136.6 Ų136.673%0.72780%0.803SS**  trans136.1153140.5-59.20000114.7
162V35.5Very low38.5Very low143 Ų143138.4 Ų138.487%0.86780%0.803SS**  trans89.1137.6157.1-51.60000121.7
163A30.2Very low37.9Very low93 Ų93141.4 Ų141.477%0.76981%0.808SS**  trans96.494.1147.100000118.7
164S42.8Very low38Very low117 Ų117141.3 Ų141.382%0.81881%0.807SS**  trans-62.5134.3147.5-177.20000110.9
165T33.5Very low37.8Very low121 Ų121138 Ų13874%0.74280%0.8SS**  trans171.3119.2145.225.50000109.2
166R40.3Very low37.4Very low253 Ų253141.1 Ų141.196%0.95581%0.805SS**  trans179.6134.5137-95.3161.9-166.1-137.64.3111.2
167L38.3Very low37.7Very low168 Ų168140.5 Ų140.588%0.8880%0.798SS**  trans-73.5170.4-168.1-54.4160.1000114
168P39.3Very low37.8Very low124 Ų124142 Ų14281%0.80580%0.8SS**  -118.3117.8129.533.1-22.6000109
169S35.3Very low37.6Very low115 Ų115139 Ų13980%0.80480%0.801SS**  66.210582.7-1570000113.7
170V37.5Very low37.6Very low148 Ų148136.6 Ų136.690%0.89780%0.798SS**  trans-83.2147.3175.2-161.50000109.3
171G35.5Very low36.9Very low66 Ų66135 Ų13568%0.6880%0.795SS**  trans-176.584.2173.200000113.6
172E36.6Very low37.2Very low167 Ų167137.6 Ų137.678%0.7880%0.8SS**  trans50.6113.7135.3-66.1166.9150.800122.7
173E36.1Very low37.3Very low170 Ų170138.4 Ų138.479%0.79479%0.794SS**  57120.4129.782.5-150.2-167.600123.7
174S35.1Very low38.1Very low125 Ų125136.5 Ų136.587%0.87478%0.779SS**  -163.4121.4125.8-136.50000112.3
175T35.5Very low38.4Very low111 Ų111135.7 Ų135.768%0.68177%0.769SS**  trans-66.1144.4170.6-58.60000111.4
176H35.6Very low39.5Very low175 Ų175134 Ų13481%0.8175%0.752SS**  trans176155.4133.2-86.3-49.1000110.8
177P39.6Very low41.1Very low112 Ų112125.4 Ų125.473%0.72773%0.728SS**  -102.1168.3-113.138.9-40.1000116.2L179P177-L179 PolarHBondContact O-N 2.95Å
178L36.9Very low42.2Very low150 Ų150121.9 Ų121.979%0.78570%0.704SS**  trans-28.1117.7161.6-75.2163.6000114.4V180L178-V180 HydrophobicContact CD2-CG2 4.17Å
179L37.1Very low43.1Very low171 Ų171117.7 Ų117.790%0.89568%0.676SS**  trans-121.3110.5132.2-75.8179000107.4P177 A181P177-L179 PolarHBondContact O-N 2.95Å; L179-A181 VanDerWaalsContact C-N 3.33Å; L179-A181 PolarHBondContact O-N 2.85Å
180V39.1Very low44Very low128 Ų128117.4 Ų117.478%0.77667%0.665SS**  trans-6497.5161.6175.80000106L178L178-V180 HydrophobicContact CD2-CG2 4.17Å
181A38.4Very low44Very low75 Ų75113.4 Ų113.462%0.6264%0.641SS**  trans-97.6120.9151.600000105.3L179 E183L179-A181 VanDerWaalsContact C-N 3.33Å; L179-A181 PolarHBondContact O-N 2.85Å; A181-E183 PolarHBondContact O-N 2.86Å
182D42.7Very low44Very low158 Ų158116.1 Ų116.185%0.84565%0.645SS**  trans-60.679.6167.8-170.448000107.8A184D182-A184 PolarHBondContact O-N 2.9Å
183E38.3Very low43.9Very low159 Ų159112.4 Ų112.474%0.74365%0.651SS**  trans-77.8105166.5-65.9-136.2135.700105.8A181 V185A181-E183 PolarHBondContact O-N 2.86Å; E183-V185 HydrophobicContact CB-CG2 4.42Å; E183-V185 WeakPolarHBondContact O-CG2 3.12Å; E183-V185 PolarHBondContact O-N 3.24Å
184A46.5Very low43.9Very low54 Ų54111.5 Ų111.545%0.44665%0.651SS.*  trans-63.689.6167.600000107.6D68 D182 H186D68-A184 WeakPolarHBondContact OD2-CB 3.44Å; D182-A184 PolarHBondContact O-N 2.9Å; A184-H186 PolarHBondContact O-N 2.78Å
185V48.6Very low43.8Very low100 Ų100112.7 Ų112.761%0.60665%0.647SS**  trans-71.6102.2-178.2178.40000107.9E183 T187E183-V185 HydrophobicContact CB-CG2 4.42Å; E183-V185 WeakPolarHBondContact O-CG2 3.12Å; E183-V185 PolarHBondContact O-N 3.24Å; V185-T187 PolarHBondContact O-N 3.22Å; V185-T187 PolarHBondContact O-OG1 3.46Å
186H57.8Low43.8Very low84 Ų84115 Ų11539%0.38965%0.65SS.*  trans-61103.7168.3-66.6-46.1000109.8D68 L71 A184 Y188D68-H186 WeakPolarHBondContact CB-ND1 3.45Å; D68-H186 IonicContact OD2-CE1 3.98Å; D68-H186 PolarHBondContact OD2-CE1 2.79Å; D68-H186 IonicContact OD2-ND1 2.8Å; D68-H186 PolarHBondContact OD2-ND1 3.42Å; L71-H186 WeakPolarHBondContact CD2-CE1 3.36Å; A184-H186 PolarHBondContact O-N 2.78Å; H186-Y188 HydrophobicContact CB-CD2 4.4Å; H186-Y188 HydrophobicContact CB-CE2 3.85Å; H186-Y188 WeakPolarHBondContact O-CD2 3.47Å; H186-Y188 PolarHBondContact O-N 3.07Å
187T74.2Confident43.5Very low74 Ų74113.9 Ų113.945%0.45465%0.65SS.*EExtended strand (participates in β ladder)trans-81.4103.2-179.5-620000108.9G66 V185 V189G66-T187 VanDerWaalsContact CA-O 3.28Å; G66-T187 WeakPolarHBondContact CA-O 3.27Å; V185-T187 PolarHBondContact O-N 3.22Å; V185-T187 PolarHBondContact O-OG1 3.46Å; T187-V189 HydrophobicContact CG2-CG2 4.05Å
188Y61Low42.9Very low94 Ų94116.6 Ų116.637%0.36965%0.653SS.*EExtended strand (participates in β ladder)trans-87.5115.4168.6-70-84.8000108.6R64 H186 N190R64-Y188 HydrophobicContact CG-CD1 4.26Å; H186-Y188 HydrophobicContact CB-CD2 4.4Å; H186-Y188 HydrophobicContact CB-CE2 3.85Å; H186-Y188 WeakPolarHBondContact O-CD2 3.47Å; H186-Y188 PolarHBondContact O-N 3.07Å; Y188-N190 PolarHBondContact O-N 3.33Å
189V58.6Low42.6Very low36 Ų36114.7 Ų114.722%0.21865%0.649CS.*EExtended strand (participates in β ladder)trans-88.9112.3176.8-179.90000109Y65 F98 T187 T191Y65-V189 PolarHBondContact O-N 2.68Å; F98-V189 HydrophobicContact CE2-CB 4.41Å; F98-V189 HydrophobicContact CE2-CG2 4.17Å; F98-V189 HydrophobicContact CZ-CB 4.13Å; F98-V189 HydrophobicContact CZ-CG2 3.64Å; T187-V189 HydrophobicContact CG2-CG2 4.05Å; V189-T191 HydrophobicContact CG1-CG2 3.88Å
190N53.1Low42Very low108 Ų108111.4 Ų111.458%0.57864%0.641SS**  trans-94.4115.9153-65.9-0.6000105.1Y188 T192Y188-N190 PolarHBondContact O-N 3.33Å; N190-T192 PolarHBondContact O-N 2.91Å
191T38.6Very low42.2Very low65 Ų65110.3 Ų110.340%0.39964%0.637SS.*  trans-6890.3-172.142.80000111.8V189V189-T191 HydrophobicContact CG1-CG2 3.88Å
192T34.5Very low41.7Very low122 Ų122114.1 Ų114.175%0.74865%0.645SS**  trans-135.8110.6165.150.10000110.9N190N190-T192 PolarHBondContact O-N 2.91Å
193G34.9Very low41Very low89 Ų89112.3 Ų112.392%0.91864%0.64SS**  trans87112.1149.900000118.2
194L35.8Very low40.6Very low152 Ų152110.7 Ų110.780%0.79664%0.641SS**  trans-106.7128.3171.6-170.4176.4000107.4
195L33.8Very low39.8Very low150 Ų150114.3 Ų114.379%0.78566%0.658SS**  trans-176.4140.5135.7-146.855.8000114.4
196E35Very low38.7Very low158 Ų158115.4 Ų115.474%0.73867%0.665SS**  trans-58.1158.2-177.4-65.8157.392.900117
197D29.7Very low38Very low152 Ų152116.4 Ų116.481%0.81368%0.678SS**  173.4140.9104.3-164.8-111.9000112.6
198Q26.5Very low35.7Very low170 Ų170120 Ų12079%0.79469%0.694SS**  trans-126135.8170.5163.4-173.4107.600105.6
199P30.7Very low34.1Very low109 Ų109123.6 Ų123.671%0.70871%0.714SS**  -156.9158.787.236.4-12.9000119.9
200S23.3Very low32.5Very low102 Ų102126.9 Ų126.971%0.71374%0.739SS**  trans-69.1-171.7163-42.70000112.3
201P44.3Very low32.3Very low106 Ų106127 Ų12769%0.68875%0.745SS**  cis-143.6-170.9-2.530.8-4.4000116.9
202L28.7Very low31.6Very low154 Ų154130.1 Ų130.181%0.80677%0.765SS**  trans85.5139.3159-49.2176.7000116.8
203T27.8Very low31.3Very low120 Ų120129.5 Ų129.574%0.73677%0.765SS**  cis-171.4135.234.4-15.80000110.9
204V28.7Very low31.8Very low126 Ų126130.8 Ų130.876%0.76476%0.757SS**  trans34.5129.4131.9-169.10000121.4
205V30.3Very low31.5Very low130 Ų130132 Ų13279%0.78876%0.759SS**  160.4126.9116.1169.70000112.1
206T26Very low31.3Very low123 Ų123129.8 Ų129.876%0.75576%0.756SS**  trans-73.9-166.2169.350.90000112.2
207P41.5Very low31.1Very low104 Ų104131.1 Ų131.168%0.67576%0.762SS**  cis-142.5-179.7-0.441.5-21.1000117.3
208L27.9Very low31.3Very low149 Ų149129.9 Ų129.978%0.7876%0.764SS**  trans69142.8145.4-118.658000118.4
209E26.8Very low32Very low171 Ų171127.9 Ų127.980%0.79977%0.765SS**  cis-169.5147.835.3-158.9164.1166.900109.9
210S25.4Very low32.8Very low105 Ų105128.7 Ų128.773%0.73477%0.771SS**  trans-86.6-168.6170.553.80000111.4
211P47.4Very low33.6Very low110 Ų110130.2 Ų130.271%0.71478%0.776SS**  cis-132.8-172.6-7.332-7.4000112.8
212T25.1Very low33.5Very low131 Ų131130.7 Ų130.780%0.80478%0.779SS**  173.7141.593-35.90000111.2
213S26.7Very low34.5Very low108 Ų108129.1 Ų129.176%0.75578%0.778SS**  trans-91.6-161.9169.3-46.60000111.5
214P47.2Very low35.4Very low117 Ų117129.2 Ų129.276%0.7678%0.781SS**  cis-138.2-173.4-1237.3-15.5000115
215Q29.6Very low36.3Very low178 Ų178129.1 Ų129.183%0.83278%0.783SS**  159.9151.7118.7-146.7166.2-5.100115.6
216S29.4Very low36.8Very low102 Ų102129.1 Ų129.171%0.71379%0.786SS**  trans-97.8170.8-158.4-28.20000116.9
217Q30.1Very low37.1Very low187 Ų187133.8 Ų133.887%0.87479%0.789SS**  164.9146.7122.2-87.3173.523.100115.1
218C33.7Very low36.6Very low126 Ų126133.6 Ų133.685%0.85180%0.796SS**  trans-110.3167.8177.1-72.50000112.7
219P41.3Very low36.8Very low127 Ų127138.3 Ų138.383%0.82580%0.804SS**  trans-140176.5142.430.7-9.7000116
220P46.8Very low37.1Very low127 Ų127136.9 Ų136.983%0.82581%0.806SS**  trans-113.4-179.5-144.442.7-35000118.8
221T40.5Very low37.5Very low134 Ų134139.9 Ų139.982%0.82281%0.809SS**  trans-92.6159.7-170.5-38.40000116.3
222P42.7Very low36.9Very low115 Ų115140.5 Ų140.575%0.74781%0.813SS**  trans-122.8168.4158.937.9-24.4000116
223P48.9Very low37.6Very low122 Ų122140.3 Ų140.379%0.79281%0.811SS**  trans-101.7175.5-161.640.2-34.9000116.7
224P46.9Very low38.3Very low121 Ų121140.2 Ų140.279%0.78681%0.808SS**  trans-106.5165.7-170.839.7-32.6000116.7
225P47.4Very low38Very low125 Ų125140.8 Ų140.881%0.81281%0.812SS**  trans-107175.5172.840.8-31.3000114.7
226P40.7Very low38.5Very low130 Ų130138.3 Ų138.384%0.84481%0.809SS**  trans-100.5167.4-145.238.7-35.3000117.7
227R34.3Very low39.2Very low220 Ų220139.3 Ų139.383%0.8381%0.813SS**  trans-63.1138.2-176.2-70.9175.2164.1162.4-7.6114.9
228A30.6Very low40.2Very low100 Ų100135.9 Ų135.983%0.82680%0.797SS**  trans-118.1131.9157.600000109.8
229R31.4Very low41.2Very low249 Ų249133.5 Ų133.594%0.9478%0.78SS**  trans-88.9123.8-175.7177.5179.6178.6149.8-1.2109.5
230V34.3Very low41.9Very low140 Ų140134 Ų13485%0.84877%0.772SS**  trans-130.3135.1165.3179.60000109
231E33.6Very low42.7Very low168 Ų168132.8 Ų132.879%0.78576%0.763SS**PPolyproline II helixtrans-64.9148.6-174.5-167.2-179.3166.400113.5V233E231-V233 PolarHBondContact O-N 3.02Å
232P34.7Very low43.9Very low124 Ų124132.2 Ų132.281%0.80575%0.751SS**PPolyproline II helixtrans-79.6118.8-177.329.4-31.1000112.8
233V39.1Very low45.3Very low126 Ų126131 Ų13176%0.76474%0.741SS**PPolyproline II helixtrans-67.81441651740000109.4E231E231-V233 PolarHBondContact O-N 3.02Å
234P40.4Very low46.5Very low106 Ų106129.2 Ų129.269%0.68873%0.725SS**PPolyproline II helixtrans-60.4149.3179.225.1-35.3000112.1T236P234-T236 PolarHBondContact O-N 3.36Å
235P41.1Very low47.3Very low130 Ų130129.9 Ų129.984%0.84472%0.721SS**PPolyproline II helixtrans-65.3120.6-172.725.6-32.7000111.2
236T40.5Very low48.7Very low126 Ų126127.7 Ų127.777%0.77370%0.7SS**PPolyproline II helixtrans-61.3144.5165.5310000110.4P234 Q238P234-T236 PolarHBondContact O-N 3.36Å; T236-Q238 PolarHBondContact O-N 2.69Å
237P44.3Very low50Low123 Ų123127.3 Ų127.380%0.79970%0.698SS**PPolyproline II helixtrans-63.7132.6-179.725.4-32000110.4
238Q50.8Low51.4Low115 Ų115125.5 Ų125.554%0.53770%0.699SS.*PPolyproline II helixtrans-51.7138.3173.7-74.3-88.9-22.600110.3T236 E240 M264T236-Q238 PolarHBondContact O-N 2.69Å; Q238-E240 VanDerWaalsContact C-N 3.34Å; Q238-E240 PolarHBondContact O-N 2.92Å; Q238-M264 PolarHBondContact NE2-SD 3.41Å
239P54.2Low53.1Low75 Ų75122.6 Ų122.649%0.48768%0.679SS.*  trans-72.393.8174.529.2-30.8000108.5
240E56.1Low54.9Low139 Ų139114.4 Ų114.465%0.6566%0.656SS**  trans-64.3150.3166.1-71.6-167.1152.100109.9Q238 Q242Q238-E240 VanDerWaalsContact C-N 3.34Å; Q238-E240 PolarHBondContact O-N 2.92Å; E240-Q242 WeakPolarHBondContact O-CG 3.35Å; E240-Q242 PolarHBondContact O-N 3.36Å
241P65.3Low56.9Low100 Ų100114.1 Ų114.165%0.64964%0.64SS**  trans-59117.2176.424.9-33.3000109.7V253P241-V253 WeakPolarHBondContact CA-O 3.03Å
242Q65.5Low58.9Low122 Ų122112.8 Ų112.857%0.5763%0.632SS**EExtended strand (participates in β ladder)trans-124.2137.3-176.8-75.5177.712.800110.6E240 V253E240-Q242 WeakPolarHBondContact O-CG 3.35Å; E240-Q242 PolarHBondContact O-N 3.36Å; Q242-V253 PolarHBondContact N-O 3.36Å; Q242-V253 VanDerWaalsContact N-O 3.13Å; Q242-V253 PolarHBondContact O-N 2.98Å
243V70.4Confident61.1Low89 Ų89109.8 Ų109.854%0.53961%0.611SS.*EExtended strand (participates in β ladder)trans-106.6107.1171.7-174.90000107.1L245 V250 F252V243-L245 HydrophobicContact CG1-CD1 4.2Å; V243-V250 HydrophobicContact CG1-CG1 3.49Å; V243-V250 VanDerWaalsContact CG1-CG1 3.49Å; V243-F252 HydrophobicContact CB-CD1 4.44Å; V243-F252 HydrophobicContact CB-CE1 4.45Å; V243-F252 HydrophobicContact CG1-CD1 4.06Å; V243-F252 HydrophobicContact CG1-CE1 3.72Å; V243-F252 HydrophobicContact CG1-CZ 4.29Å; V243-F252 HydrophobicContact CG2-CD1 3.77Å; V243-F252 HydrophobicContact CG2-CE1 3.89Å
244L74.2Confident62.8Low85 Ų85110.9 Ų110.945%0.44561%0.612SS.*EExtended strand (participates in β ladder)trans-101.7116.5-179.9-176.164.9000109.1E246 R251L244-E246 HydrophobicContact CD2-CG 4.11Å; L244-E246 HydrophobicContact CG-CG 4.13Å; L244-E246 PolarHBondContact O-N 3.39Å; L244-R251 PolarHBondContact N-O 3.26Å; L244-R251 PolarHBondContact O-N 3.35Å
245L65Low64.7Low136 Ų136106.8 Ų106.871%0.71259%0.589SS**EExtended strand (participates in β ladder)trans-82.5113.6171.9-8274.2000108.5V243 V250V243-L245 HydrophobicContact CG1-CD1 4.2Å; L245-V250 HydrophobicContact CD1-CG1 4.33Å; L245-V250 HydrophobicContact CG-CG2 4.23Å
246E75.8Confident66.6Low78 Ų78101.8 Ų101.836%0.36456%0.556SS.*EExtended strand (participates in β ladder)trans-104.6158.2173.3-71.5-171.1155.500110.8L244 Q248 G249 R251L244-E246 HydrophobicContact CD2-CG 4.11Å; L244-E246 HydrophobicContact CG-CG 4.13Å; L244-E246 PolarHBondContact O-N 3.39Å; E246-Q248 PolarHBondContact O-N 3.39Å; E246-G249 CarbonylContact C-O 3.48Å; E246-G249 WeakPolarHBondContact CA-O 3.45Å; E246-G249 PolarHBondContact N-O 3.28Å; E246-G249 PolarHBondContact O-N 3.28Å; E246-R251 IonicContact OE1-CZ 2.6Å; E246-R251 IonicContact OE1-NH2 3.12Å; E246-R251 PolarHBondContact OE1-NH2 3.26Å; E246-R251 IonicContact OE2-CZ 3.75Å; E246-R251 IonicContact OE2-NE 3.56Å; E246-R251 IonicContact OE2-NH2 2.85Å; E246-R251 PolarHBondContact OE2-NH2 3.26Å
247P69.1Low68.7Low122 Ų12298.8 Ų98.879%0.79254%0.538SS*.THydrogen-bonded Turntrans-61.3-16.3-174-23.834.8000115.4
248Q62.2Low70.4Confident182 Ų18298.2 Ų98.285%0.8553%0.534SS*.THydrogen-bonded Turntrans-113.73.4178.4-76.471.451.500113.7E246E246-Q248 PolarHBondContact O-N 3.39Å
249G66.4Low71.9Confident40 Ų4097 Ų9741%0.41253%0.534SS..EExtended strand (participates in β ladder)trans160.6177.6-179.300000114.1E246E246-G249 CarbonylContact C-O 3.48Å; E246-G249 WeakPolarHBondContact CA-O 3.45Å; E246-G249 PolarHBondContact N-O 3.28Å; E246-G249 PolarHBondContact O-N 3.28Å
250V70.8Confident73.2Confident77 Ų7798.3 Ų98.347%0.46753%0.534SS..EExtended strand (participates in β ladder)trans-103.1123.8179.3-172.20000109.2V243 L245 F252V243-V250 HydrophobicContact CG1-CG1 3.49Å; V243-V250 VanDerWaalsContact CG1-CG1 3.49Å; L245-V250 HydrophobicContact CD1-CG1 4.33Å; L245-V250 HydrophobicContact CG-CG2 4.23Å; V250-F252 HydrophobicContact CB-CE2 4.06Å; V250-F252 HydrophobicContact CB-CZ 4.37Å; V250-F252 HydrophobicContact CG1-CD2 4.37Å; V250-F252 HydrophobicContact CG1-CE1 4.31Å; V250-F252 HydrophobicContact CG1-CE2 3.74Å; V250-F252 HydrophobicContact CG1-CZ 3.7Å
251R74.8Confident74.5Confident133 Ų13397.5 Ų97.550%0.50253%0.528SS..EExtended strand (participates in β ladder)trans-100.4124.9175.2-167.3-175.5-58.7178.95.9109.7L244 E246L244-R251 PolarHBondContact N-O 3.26Å; L244-R251 PolarHBondContact O-N 3.35Å; E246-R251 IonicContact OE1-CZ 2.6Å; E246-R251 IonicContact OE1-NH2 3.12Å; E246-R251 PolarHBondContact OE1-NH2 3.26Å; E246-R251 IonicContact OE2-CZ 3.75Å; E246-R251 IonicContact OE2-NE 3.56Å; E246-R251 IonicContact OE2-NH2 2.85Å; E246-R251 PolarHBondContact OE2-NH2 3.26Å
252F75.9Confident75.2Confident140 Ų14099.6 Ų99.661%0.61453%0.53SS*.EExtended strand (participates in β ladder)trans-100.6119.1173.8-61.4-91.6000108.8V243 V250V243-F252 HydrophobicContact CB-CD1 4.44Å; V243-F252 HydrophobicContact CB-CE1 4.45Å; V243-F252 HydrophobicContact CG1-CD1 4.06Å; V243-F252 HydrophobicContact CG1-CE1 3.72Å; V243-F252 HydrophobicContact CG1-CZ 4.29Å; V243-F252 HydrophobicContact CG2-CD1 3.77Å; V243-F252 HydrophobicContact CG2-CE1 3.89Å; V250-F252 HydrophobicContact CB-CE2 4.06Å; V250-F252 HydrophobicContact CB-CZ 4.37Å; V250-F252 HydrophobicContact CG1-CD2 4.37Å; V250-F252 HydrophobicContact CG1-CE1 4.31Å; V250-F252 HydrophobicContact CG1-CE2 3.74Å; V250-F252 HydrophobicContact CG1-CZ 3.7Å
253V80.6Confident76.1Confident62 Ų6299.8 Ų99.838%0.37653%0.53SS..EExtended strand (participates in β ladder)trans-100.4105.3171.7-177.80000106.9P241 Q242P241-V253 WeakPolarHBondContact CA-O 3.03Å; Q242-V253 PolarHBondContact N-O 3.36Å; Q242-V253 VanDerWaalsContact N-O 3.13Å; Q242-V253 PolarHBondContact O-N 2.98Å
254L75.5Confident76.6Confident149 Ų14999.9 Ų99.978%0.7853%0.526SS*.PPolyproline II helixtrans-77.6129.2175.7-123.274.6000109.4
255G80.5Confident77.1Confident19 Ų1999.2 Ų99.220%0.19652%0.52CS..PPolyproline II helixtrans-69.3170.1172.200000112.5T257G255-T257 PolarHBondContact O-N 2.99Å
256P81.8Confident78Confident26 Ų26100.1 Ų100.117%0.16952%0.519CS..PPolyproline II helixtrans-58.5137.5179.121.6-30.8000111.3Q260 K261P256-Q260 HydrophobicContact CB-CB 4.13Å; P256-K261 HydrophobicContact CB-CG 4.17Å; P256-K261 HydrophobicContact CG-CG 4.04Å; P256-K261 WeakPolarHBondContact O-CE 3.48Å
257T83.4Confident78.5Confident62 Ų62102.6 Ų102.638%0.3853%0.528SS..PPolyproline II helixtrans-65159.9-178.566.60000111.4G255 V259 Q260 K261G255-T257 PolarHBondContact O-N 2.99Å; T257-V259 PolarHBondContact O-N 3.41Å; T257-V259 VanDerWaalsContact O-N 3.16Å; T257-Q260 WeakPolarHBondContact O-CA 3.47Å; T257-Q260 WeakPolarHBondContact O-CB 3.34Å; T257-Q260 PolarHBondContact O-N 2.75Å; T257-Q260 VanDerWaalsContact OG1-CG 3.3Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.34Å; T257-Q260 PolarHBondContact OG1-N 3.2Å; T257-Q260 PolarHBondContact OG1-OE1 3.34Å; T257-K261 PolarHBondContact O-N 2.92Å
258P79.4Confident79.2Confident112 Ų112102.8 Ų102.873%0.72751%0.513SS*.Hα-helixtrans-54-38-179.8-27.635.5000113.6K261 Q262P258-K261 PolarHBondContact O-N 3.15Å; P258-Q262 PolarHBondContact O-N 3.48Å
259V83.8Confident80.1Confident89 Ų8999.1 Ų99.154%0.53950%0.496SS..Hα-helixtrans-67.8-41.9176.2-179.40000111.3T257 Q262 Q263T257-V259 PolarHBondContact O-N 3.41Å; T257-V259 VanDerWaalsContact O-N 3.16Å; V259-Q262 PolarHBondContact O-N 3.08Å; V259-Q263 WeakPolarHBondContact O-CG 3.45Å; V259-Q263 PolarHBondContact O-N 2.6Å
260Q79.9Confident80.6Confident102 Ų102103.1 Ų103.148%0.47750%0.504SS..Hα-helixtrans-65.7-37.9176.3-73171-13.700111.9P256 T257 Q263 M264P256-Q260 HydrophobicContact CB-CB 4.13Å; T257-Q260 WeakPolarHBondContact O-CA 3.47Å; T257-Q260 WeakPolarHBondContact O-CB 3.34Å; T257-Q260 PolarHBondContact O-N 2.75Å; T257-Q260 VanDerWaalsContact OG1-CG 3.3Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.34Å; T257-Q260 PolarHBondContact OG1-N 3.2Å; T257-Q260 PolarHBondContact OG1-OE1 3.34Å; Q260-Q263 PolarHBondContact O-N 3.12Å; Q260-M264 WeakPolarHBondContact O-CB 3.33Å; Q260-M264 PolarHBondContact O-N 2.87Å
261K83.6Confident80.9Confident122 Ų122104.6 Ų104.653%0.5351%0.506SS..Hα-helixtrans-62.3-43.5173.7-72.8-173.7177-175.40111.7P256 T257 P258 M264 E265P256-K261 HydrophobicContact CB-CG 4.17Å; P256-K261 HydrophobicContact CG-CG 4.04Å; P256-K261 WeakPolarHBondContact O-CE 3.48Å; T257-K261 PolarHBondContact O-N 2.92Å; P258-K261 PolarHBondContact O-N 3.15Å; K261-M264 PolarHBondContact O-N 3.38Å; K261-E265 PolarHBondContact O-N 3.21Å
262Q79.9Confident81Confident145 Ų145102.5 Ų102.568%0.67850%0.504SS*.Hα-helixtrans-65-40.6178.1-167.9179.726.800112.3P258 V259 E265 K266P258-Q262 PolarHBondContact O-N 3.48Å; V259-Q262 PolarHBondContact O-N 3.08Å; Q262-E265 PolarHBondContact O-N 3.02Å; Q262-K266 WeakPolarHBondContact O-CB 3.3Å; Q262-K266 PolarHBondContact O-N 3.3Å
263Q84.4Confident80.6Confident126 Ų126102.8 Ų102.859%0.58951%0.507SS*.Hα-helixtrans-66.4-40.4176-72.4178.810.200112.3V259 Q260 K266 K267V259-Q263 WeakPolarHBondContact O-CG 3.45Å; V259-Q263 PolarHBondContact O-N 2.6Å; Q260-Q263 PolarHBondContact O-N 3.12Å; Q263-K266 PolarHBondContact O-N 3.05Å; Q263-K267 WeakPolarHBondContact O-CB 3.46Å; Q263-K267 PolarHBondContact O-N 3.46Å
264M82.5Confident80Confident90 Ų90104.7 Ų104.744%0.44351%0.512SS..Hα-helixtrans-64.5-41.7176.9-170.2-175.7-63.500111.5Q238 Q260 K261 K267 R268Q238-M264 PolarHBondContact NE2-SD 3.41Å; Q260-M264 WeakPolarHBondContact O-CB 3.33Å; Q260-M264 PolarHBondContact O-N 2.87Å; K261-M264 PolarHBondContact O-N 3.38Å; M264-K267 PolarHBondContact O-N 3.27Å; M264-R268 WeakPolarHBondContact O-CB 3.41Å; M264-R268 PolarHBondContact O-N 2.64Å
265E83.6Confident79.5Confident71 Ų71100.4 Ų100.433%0.33250%0.499SS..Hα-helixtrans-67.1-40.2176.7-176.855.6-151.500111.8K261 Q262 K267 R268 Q269K261-E265 PolarHBondContact O-N 3.21Å; Q262-E265 PolarHBondContact O-N 3.02Å; E265-K267 VanDerWaalsContact C-N 3.33Å; E265-K267 PolarHBondContact O-N 3.18Å; E265-R268 PolarHBondContact O-N 3.5Å; E265-R268 IonicContact OE1-CZ 3.03Å; E265-R268 IonicContact OE1-NE 3.61Å; E265-R268 PolarHBondContact OE1-NE 2.96Å; E265-R268 IonicContact OE1-NH2 2.75Å; E265-R268 PolarHBondContact OE1-NH2 3.09Å; E265-R268 IonicContact OE2-CZ 3.49Å; E265-R268 IonicContact OE2-NE 2.72Å; E265-R268 PolarHBondContact OE2-NE 3.36Å; E265-R268 IonicContact OE2-NH2 2.89Å; E265-Q269 WeakPolarHBondContact O-CG 3.39Å; E265-Q269 PolarHBondContact O-N 3.04Å; E265-Q269 PolarHBondContact OE1-NE2 2.82Å
266K84.4Confident78.6Confident156 Ų156103.8 Ų103.868%0.67852%0.516SS*.Hα-helixtrans-61.2-42.4173.8-171.8176.4-179.2177.70111.6Q262 Q263 Q269 Q270Q262-K266 WeakPolarHBondContact O-CB 3.3Å; Q262-K266 PolarHBondContact O-N 3.3Å; Q263-K266 PolarHBondContact O-N 3.05Å; K266-Q269 PolarHBondContact O-N 3.32Å; K266-Q270 PolarHBondContact O-N 3.07Å; K266-Q270 VanDerWaalsContact O-N 3.08Å
267K85.6Confident77.4Confident129 Ų129109.6 Ų109.656%0.56154%0.54SS*.Hα-helixtrans-65.8-41.4176.3-170.4179.1177.8-176.40111.8Q263 M264 E265 Q269 Q270 E271Q263-K267 WeakPolarHBondContact O-CB 3.46Å; Q263-K267 PolarHBondContact O-N 3.46Å; M264-K267 PolarHBondContact O-N 3.27Å; E265-K267 VanDerWaalsContact C-N 3.33Å; E265-K267 PolarHBondContact O-N 3.18Å; K267-Q269 PolarHBondContact O-N 3.48Å; K267-Q270 WeakPolarHBondContact O-CB 3.49Å; K267-Q270 PolarHBondContact O-N 3.18Å; K267-E271 WeakPolarHBondContact CE-OE1 3.38Å; K267-E271 PolarHBondContact O-N 3.05Å
268R84.8Confident76Confident127 Ų127112.2 Ų112.248%0.47955%0.551SS.*Hα-helixtrans-61.8-42176.4-167-171.874.491.25.8111.8M264 E265 Q270 E271 L272M264-R268 WeakPolarHBondContact O-CB 3.41Å; M264-R268 PolarHBondContact O-N 2.64Å; E265-R268 PolarHBondContact O-N 3.5Å; E265-R268 IonicContact OE1-CZ 3.03Å; E265-R268 IonicContact OE1-NE 3.61Å; E265-R268 PolarHBondContact OE1-NE 2.96Å; E265-R268 IonicContact OE1-NH2 2.75Å; E265-R268 PolarHBondContact OE1-NH2 3.09Å; E265-R268 IonicContact OE2-CZ 3.49Å; E265-R268 IonicContact OE2-NE 2.72Å; E265-R268 PolarHBondContact OE2-NE 3.36Å; E265-R268 IonicContact OE2-NH2 2.89Å; R268-Q270 VanDerWaalsContact C-N 3.33Å; R268-E271 PolarHBondContact O-N 2.77Å; R268-L272 HydrophobicContact CG-CD1 4.36Å; R268-L272 WeakPolarHBondContact O-CD1 3.39Å; R268-L272 PolarHBondContact O-N 2.91Å
269Q79.6Confident74.7Confident104 Ų104117.5 Ų117.549%0.48656%0.557SS.*Hα-helixtrans-65.8-37176.1-72.3175.11900112.1E265 K266 K267 L272 Q273E265-Q269 WeakPolarHBondContact O-CG 3.39Å; E265-Q269 PolarHBondContact O-N 3.04Å; E265-Q269 PolarHBondContact OE1-NE2 2.82Å; K266-Q269 PolarHBondContact O-N 3.32Å; K267-Q269 PolarHBondContact O-N 3.48Å; Q269-L272 PolarHBondContact O-N 3.46Å; Q269-Q273 PolarHBondContact O-N 3.23Å
270Q78.1Confident73.3Confident125 Ų125121.3 Ų121.358%0.58457%0.569SS**Hα-helixtrans-66.2-42.8175.7-168.5172.210.400112K266 K267 R268 L272 Q273 E274K266-Q270 PolarHBondContact O-N 3.07Å; K266-Q270 VanDerWaalsContact O-N 3.08Å; K267-Q270 WeakPolarHBondContact O-CB 3.49Å; K267-Q270 PolarHBondContact O-N 3.18Å; R268-Q270 VanDerWaalsContact C-N 3.33Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 2.97Å; Q270-Q273 PolarHBondContact O-N 2.81Å; Q270-E274 PolarHBondContact O-N 3.31Å
271E77.6Confident71.8Confident108 Ų108121.7 Ų121.751%0.50558%0.578SS.*Hα-helixtrans-64.9-33.1175.4-74.1172-176.800112.3K267 R268 A275K267-E271 WeakPolarHBondContact CE-OE1 3.38Å; K267-E271 PolarHBondContact O-N 3.05Å; R268-E271 PolarHBondContact O-N 2.77Å; E271-A275 WeakPolarHBondContact O-CB 3.44Å; E271-A275 PolarHBondContact O-N 3.31Å
272L75.3Confident69.6Low89 Ų89123 Ų12347%0.46659%0.591SS.*Hα-helixtrans-69.6-38.5173.8-92.1149000112.9R268 Q269 Q270 T276R268-L272 HydrophobicContact CG-CD1 4.36Å; R268-L272 WeakPolarHBondContact O-CD1 3.39Å; R268-L272 PolarHBondContact O-N 2.91Å; Q269-L272 PolarHBondContact O-N 3.46Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 2.97Å; L272-T276 PolarHBondContact O-N 3.32Å; L272-T276 PolarHBondContact O-OG1 3.45Å
273Q67.7Low67.7Low145 Ų145119.6 Ų119.668%0.67860%0.595SS**Hα-helixtrans-65-45.7173.3-91.3175.3-6.600111.3Q269 Q270 A275 T276 E277Q269-Q273 PolarHBondContact O-N 3.23Å; Q270-Q273 PolarHBondContact O-N 2.81Å; Q273-A275 VanDerWaalsContact C-N 3.29Å; Q273-A275 PolarHBondContact O-N 2.71Å; Q273-T276 PolarHBondContact O-N 2.93Å; Q273-T276 VanDerWaalsContact O-N 3.07Å; Q273-E277 PolarHBondContact O-N 3.48Å
274E68.3Low65.8Low102 Ų102119.1 Ų119.148%0.47760%0.602SS.*Hα-helixtrans-65.5-32.4179.3-161.2176.2176.900112.2Q270 T276 L278Q270-E274 PolarHBondContact O-N 3.31Å; E274-T276 VanDerWaalsContact C-N 3.33Å; E274-L278 WeakPolarHBondContact O-CG 3.5Å
275A66.1Low63.4Low60 Ų60122.1 Ų122.150%0.49662%0.619SS.*Hα-helixtrans-71.6-24.6173.800000113.8E271 Q273E271-A275 WeakPolarHBondContact O-CB 3.44Å; E271-A275 PolarHBondContact O-N 3.31Å; Q273-A275 VanDerWaalsContact C-N 3.29Å; Q273-A275 PolarHBondContact O-N 2.71Å
276T60.4Low61.4Low90 Ų90124.7 Ų124.755%0.55264%0.642SS**Hα-helixtrans-82.1-39.6-178.9-51.60000111.1L272 Q273 E274 L278 R279L272-T276 PolarHBondContact O-N 3.32Å; L272-T276 PolarHBondContact O-OG1 3.45Å; Q273-T276 PolarHBondContact O-N 2.93Å; Q273-T276 VanDerWaalsContact O-N 3.07Å; E274-T276 VanDerWaalsContact C-N 3.33Å; T276-L278 VanDerWaalsContact C-N 3.28Å; T276-L278 PolarHBondContact O-N 2.97Å; T276-R279 PolarHBondContact O-N 2.71Å
277E57Low58.7Low148 Ų148123.9 Ų123.969%0.69265%0.65SS**Hα-helixtrans-65.9-27.5176.7-70.4-171.915500113.2Q273 R279Q273-E277 PolarHBondContact O-N 3.48Å; E277-R279 VanDerWaalsContact C-N 3.26Å; E277-R279 PolarHBondContact O-N 2.98Å
278L53.6Low56.9Low116 Ų116123 Ų12361%0.60766%0.658SS**THydrogen-bonded Turntrans-75.8-7.8178-70.1170.9000114.3E274 T276E274-L278 WeakPolarHBondContact O-CG 3.5Å; T276-L278 VanDerWaalsContact C-N 3.28Å; T276-L278 PolarHBondContact O-N 2.97Å
279R53.2Low54.2Low224 Ų224123.9 Ų123.985%0.84568%0.677SS**THydrogen-bonded Turntrans-94.3-14.5178.4-94.3-157.5169.7-159.3-0.8115T276 E277 T281T276-R279 PolarHBondContact O-N 2.71Å; E277-R279 VanDerWaalsContact C-N 3.26Å; E277-R279 PolarHBondContact O-N 2.98Å; R279-T281 PolarHBondContact O-N 2.93Å
280E53.5Low51.8Low169 Ų169126.5 Ų126.579%0.7969%0.694SS**SBendtrans-86.81-174.3-66.9-167.3139.900114.8
281T47.9Very low49.6Very low109 Ų109124.8 Ų124.867%0.66970%0.701SS**  trans-106.156.8-178.351.10000113.5R279R279-T281 PolarHBondContact O-N 2.93Å
282N39Very low47.2Very low151 Ų151127.4 Ų127.481%0.80771%0.713SS**  trans-147.679.9166.1-82.2-70.8000113.6
283G38.4Very low45.6Very low73 Ų73128.2 Ų128.275%0.75372%0.724SS**  trans54.9170.8152.200000120.8
284P45.1Very low43.7Very low116 Ų116129.3 Ų129.375%0.75373%0.729SS**  cis-140.6157.313.537.5-16.2000118.7
285I32.9Very low41.9Very low153 Ų153130.5 Ų130.579%0.78574%0.743SS**  trans49.7128139.8-53.5164.5000121.2
286P41.3Very low40.8Very low125 Ų125132 Ų13281%0.81275%0.747SS**  trans-103.8148.7162.136.7-26.3000113.6
287T27.5Very low39.2Very low139 Ų139135.9 Ų135.985%0.85376%0.759SS**  trans-126150.4162.515.40000110.7
288P47.9Very low37.8Very low111 Ų111133.3 Ų133.372%0.72176%0.758SS**  trans-113.2160.1-160.440-29000114.5
289T27.5Very low36.7Very low144 Ų144135.8 Ų135.888%0.88377%0.771SS**  trans178.7153.8159.38.10000108.8
290L30.2Very low35.4Very low160 Ų160128.6 Ų128.684%0.83877%0.767SS**  cis-176.4137-39.616763.4000104.9
291A30.6Very low34.3Very low89 Ų89126.6 Ų126.674%0.73677%0.772SS**  trans78.7119.7153.100000123.1
292E28.2Very low33.4Very low162 Ų162126.5 Ų126.576%0.75778%0.776SS**  trans-59.7-179151.4-115.8-163.4111.500113.2
293P42.1Very low33.1Very low107 Ų107124.4 Ų124.470%0.69577%0.773SS**  cis-152.4159.838.934.6-9000121.4
294Q26.3Very low32.8Very low167 Ų167128.3 Ų128.378%0.7878%0.776SS**  trans76.8142.6134.9-70.4-179.24.300125.7
295T30.2Very low32.8Very low127 Ų127128.6 Ų128.678%0.77978%0.779SS**  trans-82.9-170.6-176.361.80000111.8
296P43.4Very low32.8Very low91 Ų91125.6 Ų125.659%0.59178%0.776SS**  cis-159.7-179.44730.10.9000120.7
297H28.2Very low32.3Very low172 Ų172126.4 Ų126.480%0.79678%0.779SS**  trans79.4155156-50.4-57.8000120.6
298S27.6Very low32.7Very low95 Ų95124 Ų12466%0.66477%0.774SS**  cis178.2159.1-29.6-86.10000107.8
299N29.6Very low32.1Very low167 Ų167124.7 Ų124.789%0.89378%0.778SS**  trans105.7107.2158.7-64-9.4000120.4
300G26.9Very low32.5Very low74 Ų74128.5 Ų128.576%0.76378%0.776SS**  93.7104.988.400000121.4
301S29.1Very low32.7Very low127 Ų127133 Ų13389%0.88878%0.782SS**  trans76.7122.4142.3-65.30000122.7
302S28.9Very low33Very low107 Ų107136.7 Ų136.775%0.74878%0.784SS**  154.8128.4103.5-166.80000114.9
303S32.3Very low33.5Very low106 Ų106140 Ų14074%0.74179%0.789SS**  trans48.2118.6141.964.90000123.7
304N33.9Very low33.4Very low155 Ų155140.2 Ų140.283%0.82979%0.791SS**  trans-66.7162.3152.5-87.6-13.6000112.1
305P43.6Very low34.6Very low123 Ų123137.6 Ų137.680%0.79979%0.788SS**  -149153.95837-14.2000120.8
306A32.4Very low35.1Very low89 Ų89137.7 Ų137.774%0.73679%0.791SS**  trans43123.1141.500000122
307T31.6Very low34.8Very low142 Ų142141.5 Ų141.587%0.87181%0.806SS**  -171.5133.3117.4-49.70000111.7
308A35.6Very low35.8Very low89 Ų89139.3 Ų139.374%0.73680%0.804SS**  trans66.4134.5158.900000122.6
309P36.5Very low36.9Very low126 Ų126140.9 Ų140.982%0.81881%0.813SS**  trans-93.4118.7176.335.2-27.3000111.7
310R35.4Very low37.1Very low224 Ų224139.7 Ų139.785%0.84581%0.806SS**  trans-109.8109.2157.5-79.1-164.1171.5-175.9-0.7108.7H312R310-H312 PolarHBondContact O-N 2.79Å
311R33.9Very low38.1Very low254 Ų254144 Ų14496%0.95881%0.811SS**  trans-71.9108.5172.5-74.4-175.7177.5-177.4-0.5109
312H37.1Very low39.1Very low167 Ų167146.1 Ų146.177%0.77381%0.807SS**  trans-87.1120.3164.2-77.6-86.4000109.7R310R310-H312 PolarHBondContact O-N 2.79Å
313R38.5Very low39.9Very low230 Ų230148.2 Ų148.287%0.86881%0.809SS**  trans22.8117.8140.2-167.1-179.4-123.7173.7-0.4118.6
314P41.2Very low40.2Very low113 Ų113149.3 Ų149.373%0.73481%0.811SS**PPolyproline II helixtrans-80.7158.8161.232-29.2000112.3
315P51.1Low40.9Very low111 Ų111148.4 Ų148.472%0.72181%0.807SS**PPolyproline II helixtrans-73.6161.4-177.831.5-34.6000112.7
316P40.2Very low41.2Very low130 Ų130149.8 Ų149.884%0.84481%0.807SS**PPolyproline II helixtrans-73.3130.3-178.929.8-31.8000111.2
317L36.8Very low41.7Very low170 Ų170149.3 Ų149.389%0.8980%0.799SS**PPolyproline II helixtrans-82.2130.7173.4-68.9166.9000110.1
318T49.7Very low42.2Very low126 Ų126147.8 Ų147.877%0.77380%0.8SS**PPolyproline II helixtrans-66.1143.3164.844.50000110.7D320T318-D320 PolarHBondContact O-N 3.26Å
319P49.8Very low42.4Very low129 Ų129150.9 Ų150.984%0.83880%0.8SS**PPolyproline II helixtrans-78.1122.7179.930.6-30.4000110.8
320D34.9Very low42.8Very low141 Ų141155.2 Ų155.275%0.75480%0.8SS**PPolyproline II helixtrans-83.2138.2173.4-166.911000110.5T318 Q322T318-D320 PolarHBondContact O-N 3.26Å; D320-Q322 PolarHBondContact O-N 3.19Å
321L47.6Very low43.2Very low166 Ų166156 Ų15687%0.86980%0.803SS**SBendtrans-93.535.3-166.3-93.2172000113.5
322Q51Low43.8Very low170 Ų170150.2 Ų150.279%0.79480%0.795SS**  trans-140.965.6-173.9-85.5168.4-15.600113.2D320D320-Q322 PolarHBondContact O-N 3.19Å
323N43.8Very low44.1Very low151 Ų151146.2 Ų146.281%0.80779%0.791SS**  trans-164.385.3151.6-160.819.3000112.3
324V40.5Very low44.7Very low129 Ų129143.4 Ų143.478%0.78279%0.793SS**  trans-129.680.8173.8-158.20000109.4
325N47.3Very low45.3Very low136 Ų136143.8 Ų143.873%0.72779%0.788SS**  trans-133120.6161.9-159.911.5000108.5
326N49.6Very low45.1Very low152 Ų152144.2 Ų144.281%0.81378%0.784SS**SBendtrans84.975-172.6-57-62.7000117
327S43.4Very low45.7Very low80 Ų80146.8 Ų146.856%0.55978%0.778SS**  trans-158.9127.213553.80000109.3Q329S327-Q329 PolarHBondContact O-N 3.26Å
328A42Very low47.1Very low109 Ų109146.8 Ų146.890%0.90177%0.774SS**  trans-73.980.5173.200000109R330A328-R330 PolarHBondContact O-N 3.49Å
329Q40.1Very low47.4Very low155 Ų155147.5 Ų147.572%0.72477%0.773SS**  trans-70.1116.8165.6-75.7169.1-21.800108.4S327 R331S327-Q329 PolarHBondContact O-N 3.26Å; Q329-R331 PolarHBondContact O-N 3Å
330R43.8Very low48Very low216 Ų216147.4 Ų147.482%0.81577%0.765SS**  trans-50.1111.2167.1-68.2-178.5172.8-159.23.5108.2A328 T332A328-R330 PolarHBondContact O-N 3.49Å; R330-T332 PolarHBondContact O-N 3.27Å; R330-T332 VanDerWaalsContact O-N 3.09Å
331R45.5Very low49Very low242 Ų242145.9 Ų145.991%0.91376%0.763SS**  trans-66108.8167.2-65.1179.685172.65.4106.6Q329 A333Q329-R331 PolarHBondContact O-N 3Å; R331-A333 PolarHBondContact O-N 3.33Å
332T45.7Very low49.3Very low131 Ų131143 Ų14380%0.80476%0.763SS**  trans-60123.4159.944.10000107.1R330 L334R330-T332 PolarHBondContact O-N 3.27Å; R330-T332 VanDerWaalsContact O-N 3.09Å; T332-L334 PolarHBondContact O-N 3.44Å
333A44Very low49.3Very low83 Ų83142.4 Ų142.469%0.68676%0.764SS**  trans-65117.6169.800000107.1R331 L335R331-A333 PolarHBondContact O-N 3.33Å; A333-L335 VanDerWaalsContact C-N 3.27Å; A333-L335 PolarHBondContact O-N 3.05Å
334L50.6Low49.6Very low171 Ų171140.3 Ų140.390%0.89576%0.758SS**  trans-69.293.1169.8-161.5131.3000106.3T332 D336T332-L334 PolarHBondContact O-N 3.44Å; L334-D336 PolarHBondContact O-N 2.89Å
335L53.4Low50.3Low122 Ų122139.7 Ų139.764%0.63976%0.757SS**  trans-70.8120.2175.5-79.5154000107.8A333 Y337A333-L335 VanDerWaalsContact C-N 3.27Å; A333-L335 PolarHBondContact O-N 3.05Å; L335-Y337 HydrophobicContact CB-CE2 4.49Å; L335-Y337 WeakPolarHBondContact O-CD2 3.32Å; L335-Y337 VanDerWaalsContact O-CE2 3.32Å; L335-Y337 WeakPolarHBondContact O-CE2 3.42Å; L335-Y337 PolarHBondContact O-N 2.9Å
336D46.9Very low50.3Low120 Ų120139.5 Ų139.564%0.64276%0.761SS**  trans-72.6110.5175.6-165.33.2000108.7L334 E338L334-D336 PolarHBondContact O-N 2.89Å; D336-E338 VanDerWaalsContact C-N 3.29Å; D336-E338 PolarHBondContact O-N 3.06Å
337Y52.2Low50Low183 Ų183144 Ų14472%0.71877%0.767SS**G310 helixtrans-82.2-2.2-171.9-75.2-85.6000113.7L335 N339 L340L335-Y337 HydrophobicContact CB-CE2 4.49Å; L335-Y337 WeakPolarHBondContact O-CD2 3.32Å; L335-Y337 VanDerWaalsContact O-CE2 3.32Å; L335-Y337 WeakPolarHBondContact O-CE2 3.42Å; L335-Y337 PolarHBondContact O-N 2.9Å; Y337-N339 VanDerWaalsContact C-N 3.32Å; Y337-N339 PolarHBondContact O-N 3.36Å; Y337-L340 HydrophobicContact CD1-CD1 4.29Å
338E67Low50Low170 Ų170149 Ų14979%0.79478%0.781SS**G310 helixtrans-80-5.6-173-73.9-103.3115.600114.4D336D336-E338 VanDerWaalsContact C-N 3.29Å; D336-E338 PolarHBondContact O-N 3.06Å
339N55.7Low49.6Very low142 Ų142148.6 Ų148.676%0.75978%0.778SS**G310 helixtrans-131.126.9-174.5-82.4-74.8000115.4Y337Y337-N339 VanDerWaalsContact C-N 3.32Å; Y337-N339 PolarHBondContact O-N 3.36Å
340L62.3Low49.3Very low127 Ų127152.7 Ų152.767%0.66579%0.786SS**PPolyproline II helixtrans-90132.4173.1-67.3172.6000110.9Y337Y337-L340 HydrophobicContact CD1-CD1 4.29Å
341P56.3Low48.7Very low109 Ų109151.2 Ų151.271%0.70879%0.786SS**PPolyproline II helixtrans-62.6140.6174.926-32.7000110.7L343P341-L343 PolarHBondContact O-N 3.13Å; P341-L343 VanDerWaalsContact O-N 3.12Å
342A53.9Low48.1Very low105 Ų105145.8 Ų145.887%0.86878%0.782SS**PPolyproline II helixtrans-55118.2-175.400000111.5
343L52.3Low47.3Very low158 Ų158145.3 Ų145.383%0.82778%0.784SS**PPolyproline II helixtrans-70.6145.5173.6-65.2174.3000109.9P341P341-L343 PolarHBondContact O-N 3.13Å; P341-L343 VanDerWaalsContact O-N 3.12Å
344P49.3Very low46.8Very low106 Ų106145.6 Ų145.669%0.68879%0.787SS**PPolyproline II helixtrans-63.1151.1179.625.3-32.8000111.5V346P344-V346 PolarHBondContact O-N 2.9Å
345P55.5Low46.1Very low117 Ų117146.2 Ų146.276%0.7679%0.785SS**PPolyproline II helixtrans-62.4120.2-171.9-17.529.1000111.7W347P345-W347 PolarHBondContact O-N 2.76Å
346V46.8Very low45.2Very low131 Ų131149.7 Ų149.779%0.79480%0.798SS**PPolyproline II helixtrans-70124.9168.8176.50000108P344 E348P344-V346 PolarHBondContact O-N 2.9Å; V346-E348 PolarHBondContact O-N 2.99Å; V346-E348 VanDerWaalsContact O-N 3.1Å
347W43.2Very low44.6Very low248 Ų248152 Ų15294%0.93981%0.805SS**  trans-71102.5176-64-4.2000109.7P345 A349P345-W347 PolarHBondContact O-N 2.76Å; W347-A349 PolarHBondContact O-N 3.38Å
348E43.1Very low43.7Very low183 Ų183151.3 Ų151.386%0.85581%0.808SS**  trans-74.1110.7167.3-74.2-174.3158.200109.7V346 R350V346-E348 PolarHBondContact O-N 2.99Å; V346-E348 VanDerWaalsContact O-N 3.1Å; E348-R350 PolarHBondContact O-N 2.91Å
349A33.8Very low41.9Very low101 Ų101148.5 Ų148.584%0.83581%0.807SS**  trans-70.593.7168.800000109.6W347 K351W347-A349 PolarHBondContact O-N 3.38Å; A349-K351 PolarHBondContact O-N 3.33Å
350R33.8Very low40.9Very low241 Ų241146.5 Ų146.591%0.90981%0.81SS**  trans-67.5113.9171.1-161.6173.8-170.2158.91.9109.2E348E348-R350 PolarHBondContact O-N 2.91Å
351K31.7Very low39.4Very low186 Ų186148.5 Ų148.581%0.80982%0.821SS**PPolyproline II helixtrans-73.8130.4168.1-72.7-178175.4-178.50109.6A349A349-K351 PolarHBondContact O-N 3.33Å
352P33.2Very low38.3Very low128 Ų128146.4 Ų146.483%0.83182%0.82SS**PPolyproline II helixtrans-80.7123163.230.3-28.1000109.4
353S28Very low37.1Very low121 Ų121144.9 Ų144.985%0.84681%0.814SS**PPolyproline II helixtrans-90.3119.8170.4-50.30000108.6
354A34.4Very low36.3Very low89 Ų89145.2 Ų145.274%0.73682%0.816SS**PPolyproline II helixtrans-91118.6172.400000110.3
355E34.8Very low35.5Very low184 Ų184148.8 Ų148.886%0.8682%0.821SS**  49.6118.1126-52.8177.7-161.300121.6
356E34.1Very low34.7Very low194 Ų194149.2 Ų149.291%0.90782%0.821SS**  trans179.9133.2141-100.5169.4-177.600105.1
357E35.5Very low34.7Very low169 Ų169148 Ų14879%0.7982%0.816SS**  cis-156.2148.525.7-100.4-179.5145.200111.1
358E33.5Very low34.2Very low169 Ų169141.7 Ų141.779%0.7981%0.81SS**  trans41.4117.4134.2-157.9172.4136.700122.1
359S29.5Very low33.6Very low110 Ų110141.5 Ų141.577%0.76981%0.814SS**  -179.8121.6117.9-790000113.8
360A34.6Very low33.7Very low100 Ų100144.5 Ų144.583%0.82682%0.816SS**  trans43.4117.5143.900000121.2
361D30.9Very low33.4Very low169 Ų169136 Ų13690%0.90480%0.804SS**  164.5143.6102.7-170.127.7000112
362G31.9Very low33.3Very low65 Ų65137.9 Ų137.967%0.6781%0.807SS**  trans87.385.4145.600000121.2
363G30.1Very low33.2Very low73 Ų73138 Ų13875%0.75380%0.801SS**  81.4124.7114.700000122.7
364L35.5Very low33.3Very low166 Ų166141 Ų14187%0.86980%0.801SS**  trans92.696.5137-52.4177.8000121.5
365K32.3Very low33.1Very low181 Ų181144.2 Ų144.279%0.78780%0.8SS**  52.6116113.8-91.2-178.3170175.80122.8
366T37.5Very low32.9Very low125 Ų125141.6 Ų141.677%0.76780%0.797SS**  89167.3129.777.40000119.6
367P47.3Very low33Very low107 Ų107137 Ų13770%0.69578%0.783SS**  -137.3-177.4-100.335.5-10.4000115.9
368S32Very low32.8Very low115 Ų115137.3 Ų137.380%0.80478%0.784SS**  trans70.1129.4151.8-53.10000121.2
369L30.9Very low32.5Very low179 Ų179133.6 Ų133.694%0.93778%0.776SS**  -156.4132.9123.9-159.564.3000112.6
370N35.2Very low32.8Very low164 Ų164134.9 Ų134.988%0.87777%0.774SS**  trans-81154.9-175.7-110.24000114.1
371G29.5Very low32.8Very low63 Ų63137 Ų13765%0.64977%0.771SS**  105.9116.6121.300000118.4
372Y28.9Very low33Very low224 Ų224137.6 Ų137.688%0.87877%0.768SS**  -177.5143.891.4-117.4-96.2000112.7
373N30.2Very low32.9Very low132 Ų132142.3 Ų142.371%0.70677%0.772SS**  trans-74.7157.8173.9-82.8-65.7000112.2
374H31.4Very low32.7Very low183 Ų183142.8 Ų142.885%0.84776%0.764SS**  -158.7131.7122.4-90.1-57.7000112.6
375H29.1Very low32.5Very low156 Ų156145.7 Ų145.772%0.72277%0.765SS**  trans-73.8157.7174.1-110.2-88.3000113.1
376T31.9Very low32.3Very low129 Ų129142.7 Ų142.779%0.79177%0.767SS**  trans149.2144.9130.540.80000110.8
377T34.7Very low32.1Very low99 Ų99145.6 Ų145.661%0.60777%0.771SS**  cis172.7140.3-31.626.10000107.2
378H31.9Very low32.2Very low175 Ų175145.5 Ų145.581%0.8177%0.77SS**  trans73.5144.4153.9-82.3-104.6000119.1
379S27.9Very low32.2Very low90 Ų90147.4 Ų147.463%0.62977%0.771SS**  cis-165.6140.428.3-154.90000114.7
380L34.9Very low32.2Very low137 Ų137144.2 Ų144.272%0.71776%0.764SS**  trans45.7122.3136.2-63.1174.5000122.3
381L35.8Very low32Very low145 Ų145140.7 Ų140.776%0.75976%0.757SS**  79.4112.772.8-86.8-172.6000117
382Q33.6Very low32.1Very low181 Ų181144 Ų14485%0.84677%0.765SS**  trans-170.3103143.4-137.3117.518.800110.8
383H29.6Very low32.2Very low164 Ų164140.8 Ų140.876%0.75976%0.762SS**  73.6106.1100.9-84.9-54.1000120
384S27.1Very low32.3Very low84 Ų84141.5 Ų141.559%0.58776%0.761SS**  100.3130.2118.1-47.50000123.5
385Y30.5Very low32.3Very low227 Ų227141 Ų14189%0.8976%0.759SS**  trans67.6131.3162.3-64.8-80.9000117.4
386S29.3Very low32.6Very low117 Ų117137.4 Ų137.482%0.81875%0.751SS**  cis-168.6148.535.339.30000112
387H32.2Very low32.7Very low186 Ų186139.2 Ų139.286%0.86175%0.75SS**  trans-84.8-176.8171.4-84.3-62.4000112.7
388P50.8Low32.7Very low105 Ų105141.6 Ų141.668%0.68276%0.759SS**  cis-136.6-176.6-31.830-7.6000114.4
389L30.3Very low32.7Very low155 Ų155143.6 Ų143.681%0.81276%0.761SS**  trans124.5112.2146.3-64.9178.9000118.6
390S32Very low33Very low113 Ų113144.7 Ų144.779%0.7976%0.764SS**  trans32.6137.3133.8-51.10000123.6
391A30.8Very low32.9Very low90 Ų90146 Ų14674%0.74477%0.772SS**  trans124.9115.8140.400000113.3
392V30.4Very low33.2Very low132 Ų132145.1 Ų145.180%0.877%0.773SS**  105.2118.482.6163.20000110.9
393L33Very low33.7Very low157 Ų157145.1 Ų145.182%0.82277%0.772SS**  trans53.1143.3148.1-110.669.1000124.6
394E30.3Very low34Very low147 Ų147144.4 Ų144.469%0.68777%0.774SS**  trans85.1114.2147.4-92.4-144.8141.800120.6
395H32.3Very low34.5Very low172 Ų172146.6 Ų146.680%0.79678%0.784SS**  trans-130.4106.3144.1-99.455.9000108.5H397H395-H397 AromaticContact CD2-NE2 3.73Å
396S35.1Very low34.6Very low81 Ų81142.2 Ų142.257%0.56678%0.781SS**  trans-80.9129.6168.544.90000109.8
397H35.1Very low34.8Very low167 Ų167140.7 Ų140.777%0.77378%0.775SS**  trans-134.4105.1166.5-76.6-61.7000111.2H395H395-H397 AromaticContact CD2-NE2 3.73Å
398N33.8Very low35.1Very low149 Ų149138.1 Ų138.180%0.79778%0.775SS**  trans-79.2142.2148.9-79.5-77.8000108.6
399Y32.1Very low34.1Very low216 Ų216141.4 Ų141.485%0.84779%0.786SS**  trans171.7111.2140.7-112.1-100.4000108.1
400V33.5Very low34.2Very low113 Ų113139.8 Ų139.869%0.68579%0.788SS**  63.7111.293.7172.20000114
401N33.1Very low34.2Very low165 Ų165138.7 Ų138.788%0.88279%0.785SS**  trans-67.3132.4171.1-70.8-32.4000111.2
402T41.6Very low34.1Very low127 Ų127142.6 Ų142.678%0.77979%0.788SS**  trans-127119.8157.317.50000108.4
403E45.7Very low34.2Very low180 Ų180147 Ų14784%0.84179%0.79SS**  trans-80.1133.2179.959.2-162.1148.400110.9
404N35.3Very low35.1Very low149 Ų149144.8 Ų144.880%0.79779%0.785SS**  trans-97.8105.3-179.3-58.4-7.8000108.5
405V36.6Very low35.1Very low130 Ų130144.8 Ų144.879%0.78879%0.79SS**  trans-109.5107.3166.3178.20000109.1
406T33.3Very low35Very low136 Ų136142 Ų14283%0.83479%0.785SS**  trans-72.8123.4170.4-58.70000109.7
407A33.8Very low34.9Very low84 Ų84142.8 Ų142.869%0.69480%0.797SS**  trans-120.8141.3164.900000109.9
408P37.3Very low34.8Very low132 Ų132145.3 Ų145.386%0.85780%0.799SS**  trans-85.1151.2-175.233.7-32.4000113.1
409L31.6Very low34.9Very low174 Ų174148.2 Ų148.291%0.91180%0.799SS**  trans-77.3136.6178-69.1158.3000112.1
410S31.4Very low35.2Very low121 Ų121149 Ų14985%0.84680%0.801SS**  158.1135.3115.5-1680000113.7
411A31.2Very low35.3Very low90 Ų90148.7 Ų148.774%0.74480%0.799SS**  trans130.1103.2135.100000117
412H29.9Very low35.3Very low173 Ų173148.6 Ų148.680%0.80180%0.798SS**  trans47.3115.6131.9-109.6-87.4000123.4
413R32.9Very low35.3Very low225 Ų225145.6 Ų145.685%0.84979%0.793SS**  trans78.8151.3142.5-88.1-161.2-178-169.23.3122.4
414P51.5Low35.1Very low109 Ų109143 Ų14371%0.70879%0.791SS**  trans-102148.8-165.339.3-30.7000112.8
415D29.2Very low35.5Very low147 Ų147141.9 Ų141.979%0.78679%0.79SS**  trans-174.1152.1133.5-129.3-28.6000115
416T31.5Very low36.3Very low114 Ų114142.2 Ų142.270%0.69979%0.786SS**  trans39.8117.9151.660.30000123.5
417A31.7Very low36.5Very low98 Ų98144.2 Ų144.281%0.8178%0.783SS**  52.8125.511900000122.4
418R34.2Very low36.5Very low220 Ų220146 Ų14683%0.8378%0.781SS**  106.4130.4129.4-135.1178.8-170.2-156.92118.2
419R35.8Very low36.5Very low210 Ų210147.7 Ų147.779%0.79278%0.776SS**  trans93.7115.9165.2-52.1-163.7-166.9-105.98.6115
420R37.5Very low36.9Very low233 Ų233145.7 Ų145.788%0.87977%0.766SS**  58.7123.362.3-63.9-87.2-176.6-161.4-3.1109.7
421T36.1Very low37.5Very low105 Ų105149.2 Ų149.264%0.64477%0.766SS**  cis-168.4169.113.9-39.70000107.2
422D33.6Very low38.3Very low163 Ų163155.2 Ų155.287%0.87277%0.77SS**  trans128.4100.6143.4-61.5-38.6000117.2
423G41.3Very low39.1Very low64 Ų64157.8 Ų157.866%0.6677%0.772SS**  trans160.5122.2166.900000112.3T425G423-T425 PolarHBondContact O-N 3.48Å
424P41.6Very low39.5Very low126 Ų126152.3 Ų152.382%0.81877%0.766SS**  trans-86.695.4-174.833.3-30.4000111.3I426P424-I426 PolarHBondContact O-N 2.85Å
425T43.8Very low39.2Very low125 Ų125153.1 Ų153.177%0.76777%0.771SS**  trans-81.9103.6161.437.10000109.4G423G423-T425 PolarHBondContact O-N 3.48Å
426I53.1Low40.2Very low138 Ų138153.6 Ų153.671%0.70877%0.773SS**SBendtrans-71125.4165.9-60.5166.9000105.9P424P424-I426 PolarHBondContact O-N 2.85Å
427F37.1Very low40.6Very low177 Ų177154.5 Ų154.578%0.77678%0.781SS**  trans85.682-173.2-49.8-71.6000116.1
428N33.5Very low41.5Very low122 Ų122153.7 Ų153.765%0.65278%0.782SS**  trans-118.4119.7153.2-156.135.2000109.1D430N428-D430 PolarHBondContact ND2-OD2 3Å
429F38.8Very low41.8Very low168 Ų168151.7 Ų151.774%0.73778%0.782SS**  trans-96.580.8171.4-79.2-87000109F431F429-F431 PolarHBondContact O-N 3.07Å; F429-F431 VanDerWaalsContact O-N 3.17Å
430D39.7Very low42.2Very low132 Ų132150.4 Ų150.471%0.70679%0.787SS**  trans-73.8101.1167.5-86.6-48.9000109.4N428 R432N428-D430 PolarHBondContact ND2-OD2 3Å; D430-R432 PolarHBondContact O-N 2.84Å; D430-R432 VanDerWaalsContact O-N 3.09Å
431F44.4Very low42.6Very low195 Ų195145.1 Ų145.186%0.85577%0.772SS**  trans-64.7108.6164.6-73.6-83.1000108.7F429 R433F429-F431 PolarHBondContact O-N 3.07Å; F429-F431 VanDerWaalsContact O-N 3.17Å; F431-R433 PolarHBondContact O-N 2.94Å
432R46.6Very low43.3Very low216 Ų216145.2 Ų145.282%0.81578%0.775SS**PPolyproline II helixtrans-57120.3176.8-71.4-129.7-172.9-171.22.6110.9D430D430-R432 PolarHBondContact O-N 2.84Å; D430-R432 VanDerWaalsContact O-N 3.09Å
433R46.7Very low44Very low226 Ų226143.3 Ų143.385%0.85377%0.771SS**PPolyproline II helixtrans-53.8138.9160.6-173.5177.8-68.6175.4-1.5109.7F431F431-R433 PolarHBondContact O-N 2.94Å
434P42.9Very low44.5Very low111 Ų111147 Ų14772%0.72177%0.769SS**PPolyproline II helixtrans-61.3142175.9-1829.8000110.9
435P43.7Very low45Very low125 Ų125147.2 Ų147.281%0.81277%0.768SS**PPolyproline II helixtrans-74.8138.4177.728.5-29.5000111
436L50.2Low45.5Very low157 Ų157147.2 Ų147.282%0.82276%0.763SS**PPolyproline II helixtrans-65.7149.8162.7-71.5163.2000109.6G438L436-G438 PolarHBondContact O-N 3.2Å
437P39.6Very low45.5Very low133 Ų133148.1 Ų148.186%0.86477%0.769SS**THydrogen-bonded Turntrans-68.7124.5-175.127-32.2000111.1
438G51.5Low46.5Very low82 Ų82149.2 Ų149.285%0.84577%0.77SS**THydrogen-bonded Turntrans144.61.6165.500000119.3L436L436-G438 PolarHBondContact O-N 3.2Å
439H39.5Very low47.9Very low177 Ų177150.9 Ų150.982%0.81978%0.777SS**  trans-119.9109.8-177.1-156.8-76000112.5
440M45Very low48.3Very low184 Ų184151.7 Ų151.791%0.90678%0.783SS**PPolyproline II helixtrans-73.8122.5169-69-167.470.700109.6
441E45.9Very low48.8Very low122 Ų122150.7 Ų150.757%0.5778%0.781SS**PPolyproline II helixtrans-93.5134.4168.9-162-172.917000108.2K444E441-K444 WeakPolarHBondContact OE1-CE 3.46Å; E441-K444 IonicContact OE1-NZ 3.06Å; E441-K444 PolarHBondContact OE1-NZ 3.49Å; E441-K444 IonicContact OE2-NZ 3.46Å
442P50.8Low49.3Very low106 Ų106149.5 Ų149.569%0.68878%0.778SS**PPolyproline II helixtrans-66.3149.8176.627-33000111K444P442-K444 PolarHBondContact O-N 3.4Å
443P48.6Very low49.3Very low124 Ų124147.2 Ų147.281%0.80578%0.779SS**PPolyproline II helixtrans-63.8127.9-175.525.2-32.3000110.9T445P443-T445 PolarHBondContact O-N 3.47Å
444K51.3Low49.2Very low142 Ų142143.5 Ų143.562%0.61778%0.776SS**  trans-65.9110.8171.6-78170.3178.3113.50109E441 P442 L446E441-K444 WeakPolarHBondContact OE1-CE 3.46Å; E441-K444 IonicContact OE1-NZ 3.06Å; E441-K444 PolarHBondContact OE1-NZ 3.49Å; E441-K444 IonicContact OE2-NZ 3.46Å; P442-K444 PolarHBondContact O-N 3.4Å; K444-L446 PolarHBondContact O-N 3.46Å
445T52.1Low49.2Very low129 Ų129143.8 Ų143.879%0.79178%0.781SS**  trans-62.3114.1168.134.20000109.5P443P443-T445 PolarHBondContact O-N 3.47Å
446L54.7Low48.9Very low126 Ų126142 Ų14266%0.6679%0.785SS**  trans-92.7124.8167-65.7172.9000107.7K444 Y448K444-L446 PolarHBondContact O-N 3.46Å; L446-Y448 HydrophobicContact CB-CE2 4.19Å
447N52Low48.1Very low157 Ų157138 Ų13884%0.8478%0.782SS**  trans-86.5113.9175.1-64.5-39.8000108.6
448Y58.4Low47.9Very low200 Ų200135.9 Ų135.978%0.78478%0.784SS**  trans-88.2140.7170.9-66.8-85.8000109.7L446L446-Y448 HydrophobicContact CB-CE2 4.19Å
449I62.8Low47Very low157 Ų157135.9 Ų135.981%0.80578%0.784SS**  trans-91.6109.5166.6-61.4168.6000106.2V451I449-V451 HydrophobicContact CG2-CG2 4.08Å
450E48.4Very low46.9Very low185 Ų185130.7 Ų130.786%0.86478%0.779SS**  trans-86.4115.3169.2-171.4168.9-162.300107.7
451V49.6Very low46.5Very low111 Ų111131 Ų13167%0.67378%0.777SS**  trans-92.8103.8175.1-175.40000106.9I449 M453I449-V451 HydrophobicContact CG2-CG2 4.08Å; V451-M453 PolarHBondContact O-N 3.42Å
452E54.3Low46.1Very low169 Ų169134.9 Ų134.979%0.7979%0.792SS**  trans-64.2113.4175.5-171.7171.6-160.200109.2
453M46.2Very low45.2Very low168 Ų168132.8 Ų132.883%0.82879%0.79SS**  trans-99.4105.3166.4-69.2-169.4176.200107.1V451 S455V451-M453 PolarHBondContact O-N 3.42Å; M453-S455 PolarHBondContact O-N 2.98Å
454D46.4Very low44.6Very low149 Ų149133.2 Ų133.280%0.79779%0.79SS**  trans-48.9103.6176.5-77-43.4000111.1G456D454-G456 PolarHBondContact O-N 3.16Å; D454-G456 VanDerWaalsContact O-N 3.09Å
455S42.3Very low43.9Very low117 Ų117131.4 Ų131.482%0.81880%0.795SS**  trans-77.288.4169.3570000108.6M453 G457M453-S455 PolarHBondContact O-N 2.98Å; S455-G457 PolarHBondContact O-N 2.87Å
456G37Very low43.1Very low87 Ų87133.2 Ų133.290%0.89780%0.8SS**  trans-68.695.1174.400000112D454D454-G456 PolarHBondContact O-N 3.16Å; D454-G456 VanDerWaalsContact O-N 3.09Å
457G34.3Very low41.9Very low73 Ų73130.4 Ų130.475%0.75380%0.802SS**  trans-131.794.9172.500000112.5S455S455-G457 PolarHBondContact O-N 2.87Å
458G35.6Very low41.2Very low88 Ų88128.2 Ų128.291%0.90780%0.799SS**  trans41.7119.2148.900000122.3
459G32.6Very low40Very low82 Ų82126.6 Ų126.685%0.84580%0.804SS**  trans156.2106155.400000113
460G36.3Very low39.1Very low69 Ų69124.6 Ų124.671%0.71180%0.801SS**  trans-76.2159.7-172.300000115.7
461H37.7Very low38.5Very low189 Ų189123.9 Ų123.988%0.87580%0.797SS**  trans177114130.3-99.8-82.2000110.9
462K36.9Very low38Very low205 Ų205124.4 Ų124.489%0.89180%0.801SS**  trans43.5113.2131.6-152.2178.4-174.3-175.30120.2
463G31.4Very low37.3Very low61 Ų61121.7 Ų121.763%0.62980%0.798SS**  trans126.4114.3130.800000119.6
464T35.9Very low37.1Very low134 Ų134125.4 Ų125.482%0.82280%0.803SS**  trans74.4114.1136.860.50000122.4
465S36.6Very low36.8Very low103 Ų103124.5 Ų124.572%0.7280%0.803SS**  trans50.4142.1133.9560000119.9
466D35.7Very low36.7Very low167 Ų167124.9 Ų124.989%0.89380%0.802SS**  cis-167.9153.112.9-110.6-27.3000106.5
467G30.2Very low36.9Very low67 Ų67127.5 Ų127.569%0.69180%0.801SS**  trans154.169.816600000118.2
468S35.9Very low37Very low112 Ų112129 Ų12978%0.78380%0.8SS**  trans32.6108.9142.258.90000121.1
469N34.3Very low37.3Very low166 Ų166130.4 Ų130.489%0.88879%0.793SS**  trans-161152.7136.3-111.7-21.9000112.6
470P42.7Very low37.8Very low114 Ų114134.3 Ų134.374%0.7479%0.794SS**PPolyproline II helixtrans-85.2159.5-15334-36.7000115.7
471H37.3Very low38.3Very low171 Ų171136.3 Ų136.379%0.79279%0.794SS**PPolyproline II helixtrans-73.7119.8-170.2-171.180.8000113.8
472T39.4Very low38.7Very low122 Ų122133.2 Ų133.275%0.74879%0.791SS**PPolyproline II helixtrans-95.5133.7159.444.60000110.3
473P38Very low39Very low112 Ų112130 Ų13073%0.72779%0.789SS**PPolyproline II helixtrans-70.6143.9-172.628.5-34000112.6
474R43.4Very low39.4Very low246 Ų246132.9 Ų132.993%0.92879%0.794SS**PPolyproline II helixtrans-73.4128.5-177.1-69.5-167.9159.7-161.9-5.7112.5
475T38.7Very low39.8Very low130 Ų130132.3 Ų132.380%0.79879%0.793SS**PPolyproline II helixtrans-83.8143.6162.539.30000110.9
476P40.2Very low40.3Very low125 Ų125133.9 Ų133.981%0.81280%0.798SS**PPolyproline II helixtrans-75139.9-172.929.6-32.7000112.8
477T41.9Very low41Very low141 Ų141134.5 Ų134.587%0.86579%0.788SS**PPolyproline II helixtrans-61.6122.6176.9-49.70000111.9
478S35.7Very low42Very low105 Ų105142 Ų14273%0.73480%0.795SS**  trans-104.7135.1158.9-1720000108.3
479P42.5Very low43Very low117 Ų117143.4 Ų143.476%0.7680%0.8SS**PPolyproline II helixtrans-73.6136.6-170.428.8-33000112.4
480L43.8Very low44.3Very low165 Ų165141.2 Ų141.286%0.86478%0.784SS**PPolyproline II helixtrans-68.8143.5171.1-74.9149000110.7
481P47.1Very low45.6Very low110 Ų110143.4 Ų143.471%0.71479%0.786SS**PPolyproline II helixtrans-65153.4171.627.5-33000111.6T483P481-T483 PolarHBondContact O-N 3.48Å
482P45.2Very low46.9Very low125 Ų125146.6 Ų146.681%0.81279%0.793SS**PPolyproline II helixtrans-63.4136.1-170.524.1-32.7000112.9T484P482-T484 PolarHBondContact O-N 2.99Å
483T42.6Very low48.6Very low137 Ų137144.3 Ų144.384%0.8479%0.787SS**PPolyproline II helixtrans-46.7117.6-179.552.80000113.6P481P481-T483 PolarHBondContact O-N 3.48Å
484T40.5Very low50.6Low122 Ų122146.4 Ų146.475%0.74879%0.791SS**PPolyproline II helixtrans-71.2137.9153.444.20000108.4P482 T486P482-T484 PolarHBondContact O-N 2.99Å; T484-T486 PolarHBondContact O-N 2.88Å; T484-T486 VanDerWaalsContact O-N 3.12Å
485P44.5Very low52.4Low121 Ų121141.1 Ų141.179%0.78678%0.78SS**  trans-68115.9-175.126.8-31.9000109.4R487P485-R487 VanDerWaalsContact C-N 3.34Å; P485-R487 PolarHBondContact O-N 3.33Å
486T47.1Very low54.6Low136 Ų136139 Ų13983%0.83476%0.763SS**  trans-5896.1169.5-510000108.7T484 R488T484-T486 PolarHBondContact O-N 2.88Å; T484-T486 VanDerWaalsContact O-N 3.12Å; T486-R488 PolarHBondContact O-N 3.32Å
487R49.4Very low56.9Low181 Ų181139.6 Ų139.668%0.68376%0.759SS**  trans-63.7103.7168.8-150.6175-172.3-99.8-12.1105.4P485 T489 E490P485-R487 VanDerWaalsContact C-N 3.34Å; P485-R487 PolarHBondContact O-N 3.33Å; R487-T489 PolarHBondContact O-N 3.07Å; R487-E490 VanDerWaalsContact CZ-CD 3.4Å; R487-E490 IonicContact CZ-OE1 3.32Å; R487-E490 VanDerWaalsContact CZ-OE1 3.32Å; R487-E490 IonicContact CZ-OE2 3.17Å; R487-E490 IonicContact NH1-OE1 3.53Å; R487-E490 IonicContact NH1-OE2 2.67Å; R487-E490 PolarHBondContact NH1-OE2 3.42Å; R487-E490 VanDerWaalsContact NH2-CD 3.26Å; R487-E490 IonicContact NH2-OE1 2.95Å; R487-E490 PolarHBondContact NH2-OE1 2.96Å; R487-E490 IonicContact NH2-OE2 2.95Å; R487-E490 PolarHBondContact NH2-OE2 3.04Å
488R51.3Low59Low223 Ų223140.8 Ų140.884%0.84275%0.754SS**  trans-40.4132.1170.9-70.9174.978.6-176.55.4107.8T486 E490T486-R488 PolarHBondContact O-N 3.32Å; R488-E490 VanDerWaalsContact C-N 3.32Å; R488-E490 PolarHBondContact O-N 3.44Å
489T57.9Low61.1Low143 Ų143144 Ų14488%0.87775%0.75SS**  trans-44.389.9-177.5-41.10000111.4R487 M491R487-T489 PolarHBondContact O-N 3.07Å; T489-M491 PolarHBondContact O-N 3.37Å
490E61.7Low63.1Low120 Ų120141.7 Ų141.756%0.56173%0.734SS**  trans-73127.2167.9-74.6-171.8-169.100106.2R487 R488 Y492R487-E490 VanDerWaalsContact CZ-CD 3.4Å; R487-E490 IonicContact CZ-OE1 3.32Å; R487-E490 VanDerWaalsContact CZ-OE1 3.32Å; R487-E490 IonicContact CZ-OE2 3.17Å; R487-E490 IonicContact NH1-OE1 3.53Å; R487-E490 IonicContact NH1-OE2 2.67Å; R487-E490 PolarHBondContact NH1-OE2 3.42Å; R487-E490 VanDerWaalsContact NH2-CD 3.26Å; R487-E490 IonicContact NH2-OE1 2.95Å; R487-E490 PolarHBondContact NH2-OE1 2.96Å; R487-E490 IonicContact NH2-OE2 2.95Å; R487-E490 PolarHBondContact NH2-OE2 3.04Å; R488-E490 VanDerWaalsContact C-N 3.32Å; R488-E490 PolarHBondContact O-N 3.44Å; E490-Y492 PolarHBondContact O-N 3.48Å
491M68.6Low65Low160 Ų160136.6 Ų136.679%0.78872%0.716SS**  trans-54108.5-179.3-63.6168.1-130.500108.7T489 A493 L494T489-M491 PolarHBondContact O-N 3.37Å; M491-A493 PolarHBondContact O-N 3.45Å; M491-L494 HydrophobicContact SD-CD2 4.23Å
492Y65.7Low66.5Low237 Ų237134.1 Ų134.193%0.92970%0.704SS**SBendtrans-74-17.7-173.3-163.9-91.7000112.5E490E490-Y492 PolarHBondContact O-N 3.48Å
493A74.7Confident68Low75 Ų75133.2 Ų133.262%0.6269%0.691SS**  trans-154.8142.2172.200000111M491M491-A493 PolarHBondContact O-N 3.45Å
494L79.4Confident69.7Low156 Ų156129 Ų12982%0.81767%0.667SS**  trans-99.8118.5166.7-66.5172.2000107.8M491M491-L494 HydrophobicContact SD-CD2 4.23Å
495I81.3Confident71.4Confident134 Ų134127 Ų12769%0.68766%0.658SS**  trans-86.2115.2176.1-58.9174.1000107.9I497I495-I497 PolarHBondContact O-N 2.93Å
496D85.4Confident72.7Confident86 Ų86127.4 Ų127.446%0.4665%0.653SS.*  trans-76.4106.5169.9-176.8-23.5000109E498 R499 T500D496-E498 VanDerWaalsContact C-N 3.31Å; D496-E498 PolarHBondContact O-N 3.06Å; D496-E498 PolarHBondContact OD1-N 3.4Å; D496-R499 HydrophobicContact CB-CB 3.91Å; D496-R499 PolarHBondContact OD1-N 3.29Å; D496-T500 WeakPolarHBondContact O-CB 3.43Å; D496-T500 PolarHBondContact O-N 3.46Å; D496-T500 PolarHBondContact O-OG1 2.73Å
497I88.6Confident73.6Confident138 Ų138129.1 Ų129.171%0.70865%0.651SS**Hα-helixtrans-67-35.5-175.5-56.8174.2000110.6I495 T500 A501I495-I497 PolarHBondContact O-N 2.93Å; I497-T500 PolarHBondContact O-N 3.43Å; I497-A501 WeakPolarHBondContact O-CB 3.34Å; I497-A501 PolarHBondContact O-N 3.03Å
498E86.8Confident74.3Confident165 Ų165128.3 Ų128.377%0.77165%0.653SS**Hα-helixtrans-71.4-44.1-179.7-63.5-167.9166.200110.8D496 T500 A501 A502D496-E498 VanDerWaalsContact C-N 3.31Å; D496-E498 PolarHBondContact O-N 3.06Å; D496-E498 PolarHBondContact OD1-N 3.4Å; E498-T500 VanDerWaalsContact C-N 3.32Å; E498-T500 PolarHBondContact O-N 2.98Å; E498-A501 PolarHBondContact O-N 2.72Å; E498-A502 PolarHBondContact O-N 3.22Å
499R78.1Confident74.8Confident172 Ų172121 Ų12165%0.64964%0.64SS**Hα-helixtrans-62.7-41174.7-174.9-177.1-89.3-178.3-6.6111.5D496 A502 M503D496-R499 HydrophobicContact CB-CB 3.91Å; D496-R499 PolarHBondContact OD1-N 3.29Å; R499-A502 PolarHBondContact O-N 3.5Å; R499-M503 HydrophobicContact CG-CE 4.46Å; R499-M503 WeakPolarHBondContact O-CG 3.35Å; R499-M503 PolarHBondContact O-N 2.67Å; R499-M503 VanDerWaalsContact O-N 3.07Å
500T86.4Confident75.1Confident69 Ų69124.7 Ų124.742%0.42364%0.638SS.*Hα-helixtrans-65.2-41.1178.1-55.80000111.4D496 I497 E498 M503 S504D496-T500 WeakPolarHBondContact O-CB 3.43Å; D496-T500 PolarHBondContact O-N 3.46Å; D496-T500 PolarHBondContact O-OG1 2.73Å; I497-T500 PolarHBondContact O-N 3.43Å; E498-T500 VanDerWaalsContact C-N 3.32Å; E498-T500 PolarHBondContact O-N 2.98Å; T500-M503 PolarHBondContact O-N 3.45Å; T500-S504 PolarHBondContact O-N 3.43Å
501A83.7Confident74.9Confident59 Ų59125.2 Ų125.249%0.48865%0.652SS.*Hα-helixtrans-64.1-41.517500000112.2I497 E498 S504 S505I497-A501 WeakPolarHBondContact O-CB 3.34Å; I497-A501 PolarHBondContact O-N 3.03Å; E498-A501 PolarHBondContact O-N 2.72Å; A501-S504 PolarHBondContact O-N 3.03Å; A501-S505 PolarHBondContact O-N 3.22Å
502A78.3Confident74.4Confident57 Ų57128.2 Ų128.247%0.47165%0.654SS.*Hα-helixtrans-61.7-44.3176.900000112.2E498 R499 S504 S505 L506E498-A502 PolarHBondContact O-N 3.22Å; R499-A502 PolarHBondContact O-N 3.5Å; A502-S504 PolarHBondContact O-N 2.72Å; A502-S505 PolarHBondContact O-N 2.94Å; A502-L506 PolarHBondContact O-N 2.95Å
503M76Confident74Confident106 Ų106123.5 Ų123.552%0.52265%0.645SS.*Hα-helixtrans-64.9-38.2176-69.8-169.2-62.900112.6R499 T500 S505 L506 Q507R499-M503 HydrophobicContact CG-CE 4.46Å; R499-M503 WeakPolarHBondContact O-CG 3.35Å; R499-M503 PolarHBondContact O-N 2.67Å; R499-M503 VanDerWaalsContact O-N 3.07Å; T500-M503 PolarHBondContact O-N 3.45Å; M503-S505 VanDerWaalsContact C-N 3.28Å; M503-S505 PolarHBondContact O-N 3.08Å; M503-L506 PolarHBondContact O-N 3.21Å; M503-Q507 PolarHBondContact O-N 3.02Å
504S79.4Confident73.1Confident50 Ų50125 Ų12535%0.3564%0.643SS.*Hα-helixtrans-63.5-34.9174.4-172.70000112.2T500 A501 A502 Q507 K508T500-S504 PolarHBondContact O-N 3.43Å; A501-S504 PolarHBondContact O-N 3.03Å; A502-S504 PolarHBondContact O-N 2.72Å; S504-Q507 PolarHBondContact O-N 3.38Å; S504-K508 PolarHBondContact O-N 2.97Å
505S74.7Confident72.2Confident79 Ų79121 Ų12155%0.55264%0.639SS**Hα-helixtrans-70.3-32.1176.9-159.30000112.7A501 A502 M503 K508 A509A501-S505 PolarHBondContact O-N 3.22Å; A502-S505 PolarHBondContact O-N 2.94Å; M503-S505 VanDerWaalsContact C-N 3.28Å; M503-S505 PolarHBondContact O-N 3.08Å; S505-K508 PolarHBondContact O-N 3.07Å; S505-A509 PolarHBondContact O-N 3.01Å; S505-A509 VanDerWaalsContact O-N 3.15Å
506L72.6Confident71.1Confident130 Ų130120.5 Ų120.568%0.68164%0.643SS**Hα-helixtrans-65.5-39.3172.8-72.9170.4000111.9A502 M503 K508 A509A502-L506 PolarHBondContact O-N 2.95Å; M503-L506 PolarHBondContact O-N 3.21Å; L506-K508 PolarHBondContact O-N 3.36Å; L506-A509 WeakPolarHBondContact O-CB 3.41Å; L506-A509 PolarHBondContact O-N 3.28Å; L506-A509 VanDerWaalsContact O-N 3.17Å
507Q66.3Low69.6Low171 Ų171120.7 Ų120.780%0.79965%0.65SS**Hα-helixtrans-66.5-22.3176-69.8-178.9-27.100113.2M503 S504M503-Q507 PolarHBondContact O-N 3.02Å; S504-Q507 PolarHBondContact O-N 3.38Å
508K62.8Low68.2Low165 Ų165125.1 Ų125.172%0.71766%0.658SS**Hα-helixtrans-93.1-8.5175.9-71.1177.1178.8169.70113.5S504 S505 L506 R510S504-K508 PolarHBondContact O-N 2.97Å; S505-K508 PolarHBondContact O-N 3.07Å; L506-K508 PolarHBondContact O-N 3.36Å; K508-R510 PolarHBondContact O-N 3.46Å; K508-R510 VanDerWaalsContact O-N 3.08Å
509A62.5Low66.9Low68 Ų68126.8 Ų126.856%0.56266%0.663SS**  trans-71.2105.3173.600000108.5S505 L506S505-A509 PolarHBondContact O-N 3.01Å; S505-A509 VanDerWaalsContact O-N 3.15Å; L506-A509 WeakPolarHBondContact O-CB 3.41Å; L506-A509 PolarHBondContact O-N 3.28Å; L506-A509 VanDerWaalsContact O-N 3.17Å
510R63.5Low66.3Low221 Ų221123.4 Ų123.483%0.83466%0.662SS**  trans-56.6148.8165.1-72.2-170.1172.4-169.2-2.5108.7K508 R512K508-R510 PolarHBondContact O-N 3.46Å; K508-R510 VanDerWaalsContact O-N 3.08Å; R510-R512 PolarHBondContact O-N 3.23Å
511P58.3Low64.8Low132 Ų132131.5 Ų131.586%0.85768%0.684SS**  trans-52.3105.9173.8-20.830.8000108.3D513P511-D513 PolarHBondContact O-N 3.33Å
512R57.6Low63.3Low223 Ų223137.1 Ų137.184%0.84270%0.7SS**  trans-74.2112.9168.4-105.2-164.6178.91560.8104.8R510 D514R510-R512 PolarHBondContact O-N 3.23Å; R512-D514 PolarHBondContact O-N 3.19Å
513D57Low62.2Low138 Ų138140.5 Ų140.574%0.73871%0.71SS**  trans-67.775.4159.6-166.459.9000107P511 G515P511-D513 PolarHBondContact O-N 3.33Å; D513-G515 PolarHBondContact O-N 2.96Å
514D57Low60.8Low107 Ų107140.4 Ų140.457%0.57272%0.72SS**  trans-70.3106.4161-110.8-24.4000104.2R512 T516 S517R512-D514 PolarHBondContact O-N 3.19Å; D514-T516 PolarHBondContact O-N 3.33Å; D514-T516 PolarHBondContact O-OG1 2.88Å; D514-S517 PolarHBondContact O-N 3.3Å
515G59.9Low59.6Low72 Ų72144.1 Ų144.174%0.74274%0.741SS**THydrogen-bonded Turntrans-56.320.8-177.100000116.5D513 S517D513-G515 PolarHBondContact O-N 2.96Å; G515-S517 VanDerWaalsContact C-N 3.32Å
516T58.8Low58.3Low123 Ų123149.4 Ų149.476%0.75576%0.757SS**THydrogen-bonded Turntrans-85.54.4164.461.40000113.8D514 R518D514-T516 PolarHBondContact O-N 3.33Å; D514-T516 PolarHBondContact O-OG1 2.88Å; T516-R518 PolarHBondContact O-N 2.95Å
517S53.7Low57.3Low89 Ų89150.6 Ų150.662%0.62276%0.763SS**  trans-48.7113.3169.6-83.90000109.9D514 G515 K519D514-S517 PolarHBondContact O-N 3.3Å; G515-S517 VanDerWaalsContact C-N 3.32Å; S517-K519 PolarHBondContact O-N 2.84Å
518R59.8Low56.6Low232 Ų232148.3 Ų148.388%0.87576%0.763SS**  trans-44.1112178.2-80.5177.5165.7-155.9-2.4109.6T516 T520T516-R518 PolarHBondContact O-N 2.95Å; R518-T520 VanDerWaalsContact C-N 3.29Å; R518-T520 PolarHBondContact O-N 3.09Å
519K59.6Low55.9Low199 Ų199146.9 Ų146.987%0.86577%0.768SS**  trans-66.888.7173.9-164159.5166.1172.40108S517S517-K519 PolarHBondContact O-N 2.84Å
520T63.9Low55.3Low102 Ų102153 Ų15363%0.62678%0.782SS**  trans-73.7149.316858.90000108.4R518 H522R518-T520 VanDerWaalsContact C-N 3.29Å; R518-T520 PolarHBondContact O-N 3.09Å; T520-H522 PolarHBondContact O-N 3.01Å
521R55.5Low54.3Low238 Ų238148.3 Ų148.390%0.89878%0.783SS**THydrogen-bonded Turntrans-57.63.3-168.4-88.7179.8156.2-152.7-4.2116.9
522H53.1Low53.7Low177 Ų177146.6 Ų146.682%0.81978%0.78SS**THydrogen-bonded Turntrans-108.42.5-170-65.9-68.1000115.4T520T520-H522 PolarHBondContact O-N 3.01Å
523N54Low53.1Low128 Ų128144.6 Ų144.668%0.68481%0.811SS**  trans-11086.8172.1-155.5-19.7000110.8
524S46.9Very low52.9Low104 Ų104144.9 Ų144.973%0.72782%0.815SS**  trans-140.288.2169.9-57.30000107.7
525T54.1Low52.7Low128 Ų128146.9 Ų146.979%0.78583%0.828SS**  trans-114.870.9161-37.30000107.3
526E46.7Very low52.3Low191 Ų191151.1 Ų151.189%0.89383%0.832SS**  trans-114108.4165.3-72-165.4176.400108.4
527L51.5Low51.9Low154 Ų154152.7 Ų152.781%0.80684%0.837SS**  trans-76.9138166.2-70.1168.3000108.7T529L527-T529 PolarHBondContact O-N 3.12Å
528P52.9Low51.8Low124 Ų124156.7 Ų156.781%0.80585%0.85SS**  trans-77.2110.1174.429.5-29.2000109.5K530P528-K530 PolarHBondContact O-N 3.38Å
529T48.5Very low51.3Low135 Ų135151.7 Ų151.783%0.82885%0.849SS**  trans-77.8110.1162.746.50000108.8L527 S531L527-T529 PolarHBondContact O-N 3.12Å; T529-S531 PolarHBondContact O-N 3.49Å
530K49.5Very low50.7Low196 Ų196148.3 Ų148.385%0.85285%0.848SS**  trans-58.7120.7165.7-167.5178-176.1-179.50108.4P528P528-K530 PolarHBondContact O-N 3.38Å
531S42.7Very low49.7Very low122 Ų122151.8 Ų151.885%0.85387%0.865SS**  trans-140.4101.9158.7-75.90000107.8T529T529-S531 PolarHBondContact O-N 3.49Å
532A45.9Very low49.2Very low96 Ų96144.7 Ų144.779%0.79386%0.862SS**  trans-96.9122.4161.100000106.8
533A44.3Very low48.8Very low181 Ų181141.7 Ų141.7100%1.49687%0.866SS**  trans-173.90144.700000107.8

Retrieved 533 of 533 residues in 385.8 ms (Link to these results)