A0A096MHE1_POEFO Loading...

Villin like

AlphaFold DB , UniProt , Accession A0A096MHE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 794 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
1T35.1Very low43.6Very low193 Ų193129.5 Ų129.5100%1.18467%0.671SS**  085.4026.90000109.2
2S34.4Very low45.9Very low122 Ų122118.8 Ų118.885%0.85362%0.616SS**PPolyproline II helixtrans-79.8121.1170.7175.20000107.8M4S2-M4 PolarHBondContact O-N 3.11Å
3K37.2Very low47Very low207 Ų207114.2 Ų114.290%0.961%0.607SS**PPolyproline II helixtrans-65.8116.8-178.8-80.4176.6174.21760109.7
4M38.7Very low48.3Very low78 Ų78116.5 Ų116.538%0.38462%0.619SS.*PPolyproline II helixtrans-58.3143.3165.1-138.9168.117700109.3S2 D8S2-M4 PolarHBondContact O-N 3.11Å; M4-D8 HydrophobicContact CE-CB 4.37Å; M4-D8 HydrophobicContact CG-CB 4.23Å
5N41.5Very low50.4Low119 Ų119109.7 Ų109.764%0.63658%0.583SS**PPolyproline II helixtrans-67.2148.7-172.7-134-10.2000110.6K7 D8N5-K7 PolarHBondContact O-N 3.27Å; N5-K7 VanDerWaalsContact O-N 3.11Å; N5-D8 PolarHBondContact O-N 3.05Å
6S40.2Very low52Low97 Ų97107.8 Ų107.868%0.67857%0.573SS**Hα-helixtrans-61.8-23.9-173.3600000114.1
7K45.3Very low53.5Low176 Ų176109.9 Ų109.977%0.76557%0.571SS**Hα-helixtrans-71-31.4174.8-78.3-177.1174.21790113.9N5 R9N5-K7 PolarHBondContact O-N 3.27Å; N5-K7 VanDerWaalsContact O-N 3.11Å; K7-R9 VanDerWaalsContact C-N 3.32Å
8D45Very low55Low49 Ų49112.1 Ų112.126%0.26258%0.575SS.*Hα-helixtrans-75.6-24.4-179.2-59.2-35.9000111.8M4 N5M4-D8 HydrophobicContact CE-CB 4.37Å; M4-D8 HydrophobicContact CG-CB 4.23Å; N5-D8 PolarHBondContact O-N 3.05Å
9R46.4Very low56.4Low191 Ų191110.3 Ų110.372%0.72157%0.572SS**Hα-helixtrans-69.1-34176.2-90-173.7175.5-174.9-2.5113.5K7 A13K7-R9 VanDerWaalsContact C-N 3.32Å; R9-A13 PolarHBondContact O-N 3.19Å
10D54.8Low57.7Low133 Ų133106.5 Ų106.571%0.71156%0.56SS**Hα-helixtrans-74.3-32.6179.3-112.3-5.3000112F12 A13D10-F12 VanDerWaalsContact C-N 3.33Å; D10-F12 PolarHBondContact O-N 3.44Å; D10-A13 PolarHBondContact O-N 3.38Å
11M61Low59.1Low59 Ų59103.4 Ų103.429%0.29154%0.544SS..Hα-helixtrans-67.5-30.1-175.4-167.8166.57500113.8Y84M11-Y84 HydrophobicContact CE-CD1 4.31Å; M11-Y84 HydrophobicContact CE-CE1 4.09Å; M11-Y84 HydrophobicContact CG-CE1 4.24Å; M11-Y84 HydrophobicContact SD-CD1 4.34Å; M11-Y84 HydrophobicContact SD-CE1 3.56Å; M11-Y84 VanDerWaalsContact SD-CE1 3.56Å
12F71.3Confident61.7Low1 Ų195.7 Ų95.70%0.00450%0.495CS..THydrogen-bonded Turntrans-1126.9-178.8-63.2-52.7000113.6D10 N14 I15 M31 Q87 L88 Y91D10-F12 VanDerWaalsContact C-N 3.33Å; D10-F12 PolarHBondContact O-N 3.44Å; F12-N14 PolarHBondContact O-N 3.46Å; F12-I15 HydrophobicContact CB-CD1 3.92Å; F12-I15 HydrophobicContact CD1-CD1 3.42Å; F12-I15 VanDerWaalsContact CD1-CD1 3.42Å; F12-I15 HydrophobicContact CE1-CD1 4.3Å; F12-I15 HydrophobicContact CG-CD1 4.03Å; F12-I15 PolarHBondContact O-N 3.16Å; F12-I15 VanDerWaalsContact O-N 3.16Å; F12-M31 HydrophobicContact CD1-CE 4.21Å; F12-M31 HydrophobicContact CE1-CE 4.29Å; F12-Q87 HydrophobicContact CE2-CB 3.95Å; F12-Q87 HydrophobicContact CZ-CB 3.76Å; F12-L88 HydrophobicContact CD1-CD1 4.29Å; F12-L88 HydrophobicContact CE1-CB 4.21Å; F12-L88 HydrophobicContact CE1-CD1 4.26Å; F12-L88 HydrophobicContact CZ-CB 4.35Å; F12-Y91 HydrophobicContact CB-CD1 3.99Å; F12-Y91 HydrophobicContact CB-CD2 4.29Å; F12-Y91 HydrophobicContact CB-CE1 3.87Å; F12-Y91 HydrophobicContact CB-CE2 4.2Å; F12-Y91 HydrophobicContact CB-CG 4.19Å; F12-Y91 HydrophobicContact CD2-CD2 4.29Å; F12-Y91 HydrophobicContact CD2-CG 4.09Å; F12-Y91 HydrophobicContact CG-CD1 4.32Å; F12-Y91 HydrophobicContact CG-CG 4.29Å
13A60.2Low64.4Low60 Ų6090.1 Ų90.150%0.49646%0.455SS..THydrogen-bonded Turntrans-60.5-27.8-178.800000113.3R9 D10R9-A13 PolarHBondContact O-N 3.19Å; D10-A13 PolarHBondContact O-N 3.38Å
14N65.8Low66.9Low146 Ų14681 Ų8178%0.78142%0.415SS*.THydrogen-bonded Turntrans-90.84.7-178.3-67.3-31.3000114.2F12 N16F12-N14 PolarHBondContact O-N 3.46Å; N14-N16 PolarHBondContact O-N 3.49Å
15I78.6Confident69.3Low15 Ų1577.6 Ų77.68%0.07740%0.399CS..  trans-78.9119.5175.9-68.3171.6000109.5F12 W24 L51 L88F12-I15 HydrophobicContact CB-CD1 3.92Å; F12-I15 HydrophobicContact CD1-CD1 3.42Å; F12-I15 VanDerWaalsContact CD1-CD1 3.42Å; F12-I15 HydrophobicContact CE1-CD1 4.3Å; F12-I15 HydrophobicContact CG-CD1 4.03Å; F12-I15 PolarHBondContact O-N 3.16Å; F12-I15 VanDerWaalsContact O-N 3.16Å; I15-W24 HydrophobicContact CG1-CH2 4Å; I15-W24 HydrophobicContact CG1-CZ2 3.8Å; I15-L51 HydrophobicContact CG2-CD2 3.73Å; I15-L88 HydrophobicContact CD1-CD1 3.3Å
16N76.8Confident71.4Confident79 Ų7971.9 Ų71.942%0.42237%0.368SS..  trans-82.9128174.7-170.1-5.1000110N14 K18 Q22N14-N16 PolarHBondContact O-N 3.49Å; N16-K18 VanDerWaalsContact C-N 3.29Å; N16-K18 VanDerWaalsContact OD1-CB 3.3Å; N16-K18 WeakPolarHBondContact OD1-CB 3.42Å; N16-K18 VanDerWaalsContact OD1-CG 3.24Å; N16-K18 WeakPolarHBondContact OD1-CG 3.38Å; N16-K18 PolarHBondContact OD1-N 2.8Å; N16-Q22 PolarHBondContact O-NE2 2.98Å
17R78.1Confident73.1Confident144 Ų14468.8 Ų68.854%0.54335%0.346SS..  trans-876.1175.4-66.2-171.3178.7-160.2-4.3113.7Y91R17-Y91 PolarHBondContact NH2-O 2.77Å
18K79.3Confident74.6Confident148 Ų14868.9 Ų68.964%0.64335%0.347SS*.SBendtrans-78.2152.6175.9-67.6177.5-177.3-178.30110.8N16 G20N16-K18 VanDerWaalsContact C-N 3.29Å; N16-K18 VanDerWaalsContact OD1-CB 3.3Å; N16-K18 WeakPolarHBondContact OD1-CB 3.42Å; N16-K18 VanDerWaalsContact OD1-CG 3.24Å; N16-K18 WeakPolarHBondContact OD1-CG 3.38Å; N16-K18 PolarHBondContact OD1-N 2.8Å; K18-G20 PolarHBondContact O-N 3.43Å
19P82.1Confident76Confident79 Ų7970.7 Ų70.751%0.51336%0.355SS..SBendtrans-54.1134.9174.7-26.735000112.5I53 K55P19-I53 CarbonylContact C-O 3.57Å; P19-I53 WeakPolarHBondContact CA-O 3.24Å; P19-K55 HydrophobicContact CG-CB 4.05Å
20G81.9Confident77.5Confident33 Ų3370.8 Ų70.834%0.3436%0.355SS..EExtended strand (participates in β ladder)trans145.4173.4-178.300000114.1K18 I53K18-G20 PolarHBondContact O-N 3.43Å; G20-I53 PolarHBondContact N-O 2.97Å; G20-I53 PolarHBondContact O-N 3.49Å; G20-I53 VanDerWaalsContact O-N 3.07Å
21L86.8Confident78.9Confident42 Ų4266 Ų6622%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-96.1132.8179.6-168.769.4000110.6I23 F39 I50 N52 Y113 F114L21-I23 HydrophobicContact CD2-CD1 4.15Å; L21-I23 HydrophobicContact CD2-CG1 4.47Å; L21-I23 HydrophobicContact CG-CG1 4.3Å; L21-F39 HydrophobicContact CB-CE2 4.33Å; L21-F39 HydrophobicContact CD2-CD2 3.93Å; L21-F39 HydrophobicContact CD2-CE2 4.26Å; L21-F39 HydrophobicContact CG-CD2 4.45Å; L21-F39 HydrophobicContact CG-CE2 4.27Å; L21-F39 WeakPolarHBondContact O-CE2 3.3Å; L21-I50 HydrophobicContact CD1-CG2 3.42Å; L21-I50 VanDerWaalsContact CD1-CG2 3.42Å; L21-I50 HydrophobicContact CG-CG2 4.29Å; L21-N52 HydrophobicContact CD1-CB 3.95Å; L21-Y113 HydrophobicContact CD1-CD2 3.99Å; L21-Y113 HydrophobicContact CD1-CG 4.12Å; L21-F114 HydrophobicContact CD2-CE1 3.99Å; L21-F114 HydrophobicContact CD2-CZ 4.26Å
22Q90.7Very high79.9Confident31 Ų3164.8 Ų64.815%0.14533%0.329CS..EExtended strand (participates in β ladder)trans-130.1136.3174.2-65.3168.793.900109N16 W24 I50 L51N16-Q22 PolarHBondContact O-NE2 2.98Å; Q22-W24 HydrophobicContact CB-CE3 4.48Å; Q22-W24 HydrophobicContact CB-CH2 3.28Å; Q22-W24 HydrophobicContact CB-CZ2 3.91Å; Q22-W24 HydrophobicContact CB-CZ3 3.62Å; Q22-W24 HydrophobicContact CG-CH2 4.16Å; Q22-I50 CarbonylContact O-C 3.57Å; Q22-I50 WeakPolarHBondContact O-CA 3.45Å; Q22-L51 HydrophobicContact CB-CB 4.46Å; Q22-L51 PolarHBondContact N-O 2.8Å; Q22-L51 PolarHBondContact O-N 3.25Å
23I90.2Very high80.5Confident6 Ų669.6 Ų69.63%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-130134.6-176.5-54.4-176.1000109.2L21 V34 F39 F42 Y48 I49 I50 F114L21-I23 HydrophobicContact CD2-CD1 4.15Å; L21-I23 HydrophobicContact CD2-CG1 4.47Å; L21-I23 HydrophobicContact CG-CG1 4.3Å; I23-V34 HydrophobicContact CB-CB 4.13Å; I23-V34 HydrophobicContact CB-CG2 4.47Å; I23-V34 HydrophobicContact CG2-CB 3.99Å; I23-V34 HydrophobicContact CG2-CG2 3.84Å; I23-V34 WeakPolarHBondContact O-CB 3.38Å; I23-V34 PolarHBondContact O-N 3.17Å; I23-F39 HydrophobicContact CB-CD1 4.18Å; I23-F39 HydrophobicContact CB-CE1 3.7Å; I23-F39 HydrophobicContact CB-CZ 4.05Å; I23-F39 HydrophobicContact CD1-CB 4.14Å; I23-F39 HydrophobicContact CD1-CD1 3.68Å; I23-F39 HydrophobicContact CD1-CD2 4Å; I23-F39 HydrophobicContact CD1-CE1 3.99Å; I23-F39 HydrophobicContact CD1-CE2 4.29Å; I23-F39 HydrophobicContact CD1-CG 3.68Å; I23-F39 HydrophobicContact CD1-CZ 4.29Å; I23-F39 HydrophobicContact CG1-CD1 4.06Å; I23-F39 HydrophobicContact CG1-CD2 4.36Å; I23-F39 HydrophobicContact CG1-CE1 3.83Å; I23-F39 HydrophobicContact CG1-CE2 4.14Å; I23-F39 HydrophobicContact CG1-CG 4.32Å; I23-F39 HydrophobicContact CG1-CZ 3.87Å; I23-F42 HydrophobicContact CD1-CZ 4.36Å; I23-Y48 HydrophobicContact CG2-CD1 4.04Å; I23-I49 CarbonylContact C-O 3.59Å; I23-I49 WeakPolarHBondContact CA-O 3.46Å; I23-I50 HydrophobicContact CD1-CG1 4.33Å; I23-I50 HydrophobicContact CG1-CB 4.49Å; I23-I50 HydrophobicContact CG1-CG1 4.02Å; I23-I50 HydrophobicContact CG1-CG2 4.14Å; I23-I50 HydrophobicContact CG2-CG1 4.11Å; I23-F114 HydrophobicContact CD1-CE1 3.71Å; I23-F114 HydrophobicContact CD1-CZ 3.83Å
24W91.1Very high81.4Confident15 Ų1567.8 Ų67.86%0.05734%0.342CS..EExtended strand (participates in β ladder)trans-125153.1171.2-59.2-96.1000110.1I15 Q22 M31 A32 P33 Y48 I49 L51I15-W24 HydrophobicContact CG1-CH2 4Å; I15-W24 HydrophobicContact CG1-CZ2 3.8Å; Q22-W24 HydrophobicContact CB-CE3 4.48Å; Q22-W24 HydrophobicContact CB-CH2 3.28Å; Q22-W24 HydrophobicContact CB-CZ2 3.91Å; Q22-W24 HydrophobicContact CB-CZ3 3.62Å; Q22-W24 HydrophobicContact CG-CH2 4.16Å; W24-M31 HydrophobicContact CB-CG 3.38Å; W24-M31 HydrophobicContact CB-SD 4.04Å; W24-M31 HydrophobicContact CD2-CE 4.07Å; W24-M31 HydrophobicContact CD2-CG 4.45Å; W24-M31 HydrophobicContact CD2-SD 4.11Å; W24-M31 HydrophobicContact CG-CE 3.99Å; W24-M31 HydrophobicContact CG-CG 3.59Å; W24-M31 HydrophobicContact CG-SD 3.86Å; W24-A32 CarbonylContact C-O 3.48Å; W24-A32 WeakPolarHBondContact CA-O 3.47Å; W24-A32 WeakPolarHBondContact CB-O 3.42Å; W24-P33 VanDerWaalsContact CD1-CA 3.43Å; W24-Y48 CarbonylContact O-C 3.58Å; W24-Y48 WeakPolarHBondContact O-CA 3.17Å; W24-Y48 WeakPolarHBondContact O-CB 3.41Å; W24-I49 HydrophobicContact CE3-CG2 4.46Å; W24-I49 PolarHBondContact N-O 3.13Å; W24-I49 PolarHBondContact O-N 2.98Å; W24-L51 HydrophobicContact CH2-CB 4.12Å; W24-L51 HydrophobicContact CH2-CD2 4.23Å; W24-L51 HydrophobicContact CZ3-CB 3.65Å
25T88.6Confident81.7Confident6 Ų664.9 Ų64.94%0.03733%0.331CS..EExtended strand (participates in β ladder)trans-113.2148.7171.7-1770000109.1A32 V34 C47 L125T25-A32 HydrophobicContact CG2-CB 4.14Å; T25-A32 PolarHBondContact N-O 3.37Å; T25-A32 PolarHBondContact O-N 3.28Å; T25-V34 HydrophobicContact CG2-CG2 4.11Å; T25-C47 WeakPolarHBondContact CA-O 3.46Å; T25-C47 PolarHBondContact OG1-O 3Å; T25-L125 HydrophobicContact CG2-CD1 3.35Å
26I84.6Confident81.4Confident0 Ų069.3 Ų69.30%036%0.36CS..EExtended strand (participates in β ladder)trans-88.8111.7172.7-57-51.9000107.9M31 C47 I49 E77 A81 Y84I26-M31 HydrophobicContact CD1-CB 4.43Å; I26-C47 HydrophobicContact CB-CB 4.37Å; I26-C47 HydrophobicContact CG1-CB 4.21Å; I26-C47 PolarHBondContact N-O 3.34Å; I26-I49 HydrophobicContact CD1-CD1 3.89Å; I26-I49 HydrophobicContact CD1-CG1 4.38Å; I26-E77 HydrophobicContact CG2-CB 4.35Å; I26-E77 HydrophobicContact CG2-CG 4.24Å; I26-A81 HydrophobicContact CG1-CB 3.92Å; I26-Y84 HydrophobicContact CD1-CD2 3.59Å; I26-Y84 HydrophobicContact CD1-CE2 4.03Å; I26-Y84 HydrophobicContact CD1-CG 4.44Å
27S76.8Confident81Confident31 Ų3175.1 Ų75.122%0.21738%0.381CS..EExtended strand (participates in β ladder)trans-126.4125.2175.6-1730000109.5M29 R30S27-M29 VanDerWaalsContact C-N 3.26Å; S27-M29 PolarHBondContact O-N 2.83Å; S27-R30 PolarHBondContact N-O 2.92Å; S27-R30 PolarHBondContact O-N 2.87Å
28K75.6Confident80.3Confident179 Ų17970.1 Ų70.178%0.77837%0.366SS*.THydrogen-bonded Turntrans51.245.2-176.6-56.8180-178.8179.40112.2R30K28-R30 PolarHBondContact O-N 3.45Å
29M74.7Confident80.3Confident87 Ų8765.6 Ų65.643%0.42935%0.347SS..THydrogen-bonded Turntrans61.917.1-178.6-47.3-66.9-90.600114.5S27 D76 S80 Y84S27-M29 VanDerWaalsContact C-N 3.26Å; S27-M29 PolarHBondContact O-N 2.83Å; M29-D76 HydrophobicContact CE-CB 3.83Å; M29-D76 WeakPolarHBondContact CE-O 3.43Å; M29-D76 HydrophobicContact SD-CB 3.88Å; M29-S80 WeakPolarHBondContact CE-OG 3.44Å; M29-S80 PolarHBondContact SD-OG 3.17Å; M29-Y84 WeakPolarHBondContact O-CE2 3.37Å; M29-Y84 PolarHBondContact O-OH 3.32Å
30R79.3Confident79.3Confident192 Ų19262 Ų6273%0.72533%0.325SS*.EExtended strand (participates in β ladder)trans-121143.4177.8-66-173.6-178.2-1751.4111.6S27 K28 A32 Y84S27-R30 PolarHBondContact N-O 2.92Å; S27-R30 PolarHBondContact O-N 2.87Å; K28-R30 PolarHBondContact O-N 3.45Å; R30-A32 PolarHBondContact O-N 3.5Å; R30-Y84 WeakPolarHBondContact CA-OH 3.24Å
31M82.9Confident78.7Confident33 Ų3362 Ų6216%0.16332%0.317CS..EExtended strand (participates in β ladder)trans-76.4117175.4-167.5176.981.600110F12 W24 I26 I49 Y84F12-M31 HydrophobicContact CD1-CE 4.21Å; F12-M31 HydrophobicContact CE1-CE 4.29Å; W24-M31 HydrophobicContact CB-CG 3.38Å; W24-M31 HydrophobicContact CB-SD 4.04Å; W24-M31 HydrophobicContact CD2-CE 4.07Å; W24-M31 HydrophobicContact CD2-CG 4.45Å; W24-M31 HydrophobicContact CD2-SD 4.11Å; W24-M31 HydrophobicContact CG-CE 3.99Å; W24-M31 HydrophobicContact CG-CG 3.59Å; W24-M31 HydrophobicContact CG-SD 3.86Å; I26-M31 HydrophobicContact CD1-CB 4.43Å; M31-I49 HydrophobicContact SD-CD1 4.25Å; M31-Y84 HydrophobicContact CB-CD1 4.32Å; M31-Y84 HydrophobicContact CB-CE1 4.17Å
32A82.9Confident78.4Confident34 Ų3460.1 Ų60.128%0.28131%0.307SS..EExtended strand (participates in β ladder)trans-118.3133.8179.300000110.8W24 T25 R30W24-A32 CarbonylContact C-O 3.48Å; W24-A32 WeakPolarHBondContact CA-O 3.47Å; W24-A32 WeakPolarHBondContact CB-O 3.42Å; T25-A32 HydrophobicContact CG2-CB 4.14Å; T25-A32 PolarHBondContact N-O 3.37Å; T25-A32 PolarHBondContact O-N 3.28Å; R30-A32 PolarHBondContact O-N 3.5Å
33P82.8Confident77.8Confident101 Ų10160.3 Ų60.366%0.65631%0.308SS*.EExtended strand (participates in β ladder)trans-69.1138.3-177.728.1-34.1000111.6W24W24-P33 VanDerWaalsContact CD1-CA 3.43Å
34V79.8Confident77.4Confident22 Ų2261.7 Ų61.713%0.13331%0.314CS..PPolyproline II helixtrans-88.7134.2173.7177.40000109I23 T25 T36 T38 F39 Y48I23-V34 HydrophobicContact CB-CB 4.13Å; I23-V34 HydrophobicContact CB-CG2 4.47Å; I23-V34 HydrophobicContact CG2-CB 3.99Å; I23-V34 HydrophobicContact CG2-CG2 3.84Å; I23-V34 WeakPolarHBondContact O-CB 3.38Å; I23-V34 PolarHBondContact O-N 3.17Å; T25-V34 HydrophobicContact CG2-CG2 4.11Å; V34-T36 PolarHBondContact O-N 3.35Å; V34-T38 WeakPolarHBondContact CG1-OG1 3.15Å; V34-F39 HydrophobicContact CB-CE1 4.3Å; V34-F39 HydrophobicContact CG1-CD1 4.17Å; V34-F39 HydrophobicContact CG1-CE1 4.28Å; V34-F39 WeakPolarHBondContact O-CE1 3.34Å; V34-Y48 HydrophobicContact CG2-CD1 4.04Å; V34-Y48 HydrophobicContact CG2-CE1 3.94Å
35P72.9Confident76.9Confident85 Ų8561.6 Ų61.655%0.55232%0.317SS*.PPolyproline II helixtrans-58.5137.9174.2-2534.6000112.3K37 T38 F39P35-K37 PolarHBondContact O-N 3.14Å; P35-T38 PolarHBondContact O-N 3.22Å; P35-T38 PolarHBondContact O-OG1 2.81Å; P35-F39 VanDerWaalsContact O-CD1 3.31Å; P35-F39 WeakPolarHBondContact O-CD1 2.94Å
36T72.3Confident76.8Confident109 Ų10961.4 Ų61.467%0.66932%0.316SS*.G310 helixtrans-58.9-32.6-178.7520000113.4V34 T38 F39V34-T36 PolarHBondContact O-N 3.35Å; T36-T38 PolarHBondContact O-N 2.81Å; T36-F39 HydrophobicContact CG2-CE1 4.44Å; T36-F39 HydrophobicContact CG2-CE2 4.24Å; T36-F39 HydrophobicContact CG2-CZ 3.98Å; T36-F39 WeakPolarHBondContact O-CB 3.38Å; T36-F39 WeakPolarHBondContact O-CG 3.2Å; T36-F39 PolarHBondContact O-N 2.94Å
37K66.8Low77Confident200 Ų20061.4 Ų61.487%0.8732%0.316SS*.G310 helixtrans-63.7-22.6176.9-64.7-176-179.8-178.90113.6P35P35-K37 PolarHBondContact O-N 3.14Å
38T64.6Low77.8Confident39 Ų3960.2 Ų60.224%0.23931%0.307CS..G310 helixtrans-102.45.7-177.354.50000112.9V34 P35 T36 G40 N41V34-T38 WeakPolarHBondContact CG1-OG1 3.15Å; P35-T38 PolarHBondContact O-N 3.22Å; P35-T38 PolarHBondContact O-OG1 2.81Å; T36-T38 PolarHBondContact O-N 2.81Å; T38-G40 PolarHBondContact O-N 3.39Å; T38-N41 WeakPolarHBondContact O-CB 3.09Å; T38-N41 PolarHBondContact O-N 3.44Å; T38-N41 PolarHBondContact O-ND2 3.2Å
39F78.4Confident78.6Confident53 Ų5351.7 Ų51.723%0.23227%0.27CS..THydrogen-bonded Turntrans-56.8135.5176-75.49000111L21 I23 V34 P35 T36 F114L21-F39 HydrophobicContact CB-CE2 4.33Å; L21-F39 HydrophobicContact CD2-CD2 3.93Å; L21-F39 HydrophobicContact CD2-CE2 4.26Å; L21-F39 HydrophobicContact CG-CD2 4.45Å; L21-F39 HydrophobicContact CG-CE2 4.27Å; L21-F39 WeakPolarHBondContact O-CE2 3.3Å; I23-F39 HydrophobicContact CB-CD1 4.18Å; I23-F39 HydrophobicContact CB-CE1 3.7Å; I23-F39 HydrophobicContact CB-CZ 4.05Å; I23-F39 HydrophobicContact CD1-CB 4.14Å; I23-F39 HydrophobicContact CD1-CD1 3.68Å; I23-F39 HydrophobicContact CD1-CD2 4Å; I23-F39 HydrophobicContact CD1-CE1 3.99Å; I23-F39 HydrophobicContact CD1-CE2 4.29Å; I23-F39 HydrophobicContact CD1-CG 3.68Å; I23-F39 HydrophobicContact CD1-CZ 4.29Å; I23-F39 HydrophobicContact CG1-CD1 4.06Å; I23-F39 HydrophobicContact CG1-CD2 4.36Å; I23-F39 HydrophobicContact CG1-CE1 3.83Å; I23-F39 HydrophobicContact CG1-CE2 4.14Å; I23-F39 HydrophobicContact CG1-CG 4.32Å; I23-F39 HydrophobicContact CG1-CZ 3.87Å; V34-F39 HydrophobicContact CB-CE1 4.3Å; V34-F39 HydrophobicContact CG1-CD1 4.17Å; V34-F39 HydrophobicContact CG1-CE1 4.28Å; V34-F39 WeakPolarHBondContact O-CE1 3.34Å; P35-F39 VanDerWaalsContact O-CD1 3.31Å; P35-F39 WeakPolarHBondContact O-CD1 2.94Å; T36-F39 HydrophobicContact CG2-CE1 4.44Å; T36-F39 HydrophobicContact CG2-CE2 4.24Å; T36-F39 HydrophobicContact CG2-CZ 3.98Å; T36-F39 WeakPolarHBondContact O-CB 3.38Å; T36-F39 WeakPolarHBondContact O-CG 3.2Å; T36-F39 PolarHBondContact O-N 2.94Å; F39-F114 HydrophobicContact CB-CE1 4.45Å
40G60.9Low79.5Confident5 Ų547.6 Ų47.65%0.05225%0.25CC..THydrogen-bonded Turntrans93.5-11.8-172.400000114.2T38 F114 I119T38-G40 PolarHBondContact O-N 3.39Å; G40-F114 VanDerWaalsContact CA-CD1 3.46Å; G40-I119 PolarHBondContact O-N 3.15Å
41N71Confident80.1Confident33 Ų3338.4 Ų38.418%0.17622%0.215CC..EExtended strand (participates in β ladder)trans-97.3122.3171.5-57.7-80.7000110.5T38 I119 K121T38-N41 WeakPolarHBondContact O-CB 3.09Å; T38-N41 PolarHBondContact O-N 3.44Å; T38-N41 PolarHBondContact O-ND2 3.2Å; N41-I119 WeakPolarHBondContact CA-O 3.38Å; N41-K121 HydrophobicContact CB-CD 4.26Å; N41-K121 WeakPolarHBondContact OD1-CE 3.44Å; N41-K121 PolarHBondContact OD1-NZ 2.83Å
42F78.6Confident80.3Confident1 Ų137.9 Ų37.90%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-126132.2-179.3-65.9-88.3000110.4I23 Y48 I50 W68 F110 F114 L118 I119 Y120 K121I23-F42 HydrophobicContact CD1-CZ 4.36Å; F42-Y48 HydrophobicContact CB-CE2 4.16Å; F42-Y48 AromaticContact CD1-CD1 3.94Å; F42-Y48 HydrophobicContact CD1-CD1 3.94Å; F42-Y48 AromaticContact CD1-CD2 3.58Å; F42-Y48 HydrophobicContact CD1-CD2 3.58Å; F42-Y48 HydrophobicContact CD1-CE1 4.18Å; F42-Y48 AromaticContact CD1-CE2 3.82Å; F42-Y48 HydrophobicContact CD1-CE2 3.82Å; F42-Y48 AromaticContact CD1-CG 3.61Å; F42-Y48 HydrophobicContact CD1-CG 3.61Å; F42-Y48 HydrophobicContact CE1-CD1 4.08Å; F42-Y48 HydrophobicContact CE1-CD2 4.29Å; F42-Y48 AromaticContact CE1-CG 3.87Å; F42-Y48 HydrophobicContact CE1-CG 3.87Å; F42-Y48 HydrophobicContact CG-CE2 4.49Å; F42-I50 HydrophobicContact CE1-CD1 4.21Å; F42-W68 HydrophobicContact CB-CD2 4.47Å; F42-W68 HydrophobicContact CB-CE3 4.26Å; F42-W68 HydrophobicContact CB-CH2 3.58Å; F42-W68 HydrophobicContact CB-CZ2 3.83Å; F42-W68 HydrophobicContact CB-CZ3 3.82Å; F42-W68 HydrophobicContact CD1-CD2 4.1Å; F42-W68 HydrophobicContact CD1-CE3 4.05Å; F42-W68 HydrophobicContact CD1-CG 4.48Å; F42-W68 HydrophobicContact CD1-CZ3 4.41Å; F42-W68 HydrophobicContact CG-CD2 4.4Å; F42-W68 HydrophobicContact CG-CE3 4.46Å; F42-W68 HydrophobicContact CG-CH2 4.47Å; F42-W68 HydrophobicContact CG-CZ2 4.41Å; F42-F110 HydrophobicContact CE1-CZ 4.19Å; F42-F110 HydrophobicContact CE2-CE1 4.5Å; F42-F110 HydrophobicContact CE2-CZ 4.14Å; F42-F110 HydrophobicContact CZ-CE1 4.49Å; F42-F110 AromaticContact CZ-CZ 3.71Å; F42-F110 HydrophobicContact CZ-CZ 3.71Å; F42-F114 HydrophobicContact CE2-CE1 4.18Å; F42-F114 HydrophobicContact CE2-CE2 4.19Å; F42-F114 AromaticContact CE2-CZ 3.9Å; F42-F114 HydrophobicContact CE2-CZ 3.9Å; F42-F114 HydrophobicContact CZ-CE1 4.16Å; F42-F114 HydrophobicContact CZ-CE2 4.15Å; F42-F114 AromaticContact CZ-CZ 3.63Å; F42-F114 HydrophobicContact CZ-CZ 3.63Å; F42-L118 HydrophobicContact CD2-CD2 3.81Å; F42-L118 HydrophobicContact CE2-CD2 3.44Å; F42-L118 VanDerWaalsContact CE2-CD2 3.44Å; F42-I119 PolarHBondContact N-O 3Å; F42-Y120 CarbonylContact O-C 3.5Å; F42-Y120 WeakPolarHBondContact O-CA 3.41Å; F42-K121 PolarHBondContact O-N 3.42Å
43F79.9Confident80.4Confident36 Ų3636.5 Ų36.516%0.15820%0.201CC..EExtended strand (participates in β ladder)trans-81.9131.1174.9-76.8-70.1000110.8G45 D46 Y48 W68 K121 G123F43-G45 PolarHBondContact O-N 3.3Å; F43-D46 HydrophobicContact CB-CB 4.09Å; F43-D46 WeakPolarHBondContact CB-OD2 3.19Å; F43-D46 PolarHBondContact O-N 2.95Å; F43-D46 VanDerWaalsContact O-N 3.13Å; F43-Y48 VanDerWaalsContact CD2-OH 3.27Å; F43-Y48 WeakPolarHBondContact CD2-OH 3.22Å; F43-Y48 PolarHBondContact N-OH 3.48Å; F43-W68 WeakPolarHBondContact O-CZ3 3.46Å; F43-K121 CarbonylContact C-O 3.54Å; F43-K121 VanDerWaalsContact CA-O 3.27Å; F43-K121 WeakPolarHBondContact CA-O 3.33Å; F43-K121 HydrophobicContact CD1-CB 3.52Å; F43-K121 HydrophobicContact CE1-CB 3.59Å; F43-K121 HydrophobicContact CE1-CD 4.16Å; F43-K121 HydrophobicContact CE1-CG 4.5Å; F43-K121 HydrophobicContact CG-CB 4.35Å; F43-K121 HydrophobicContact CZ-CB 4.45Å; F43-K121 HydrophobicContact CZ-CD 4.26Å; F43-G123 WeakPolarHBondContact CB-O 3.45Å
44E80.6Confident80Confident34 Ų3432.9 Ų32.916%0.15918%0.178CC..THydrogen-bonded Turntrans-62.1-25.8-179.6-55.7-168.2145.900112.5G70 K71 S72 S73 Q103 K121E44-G70 CarbonylContact O-C 3.53Å; E44-G70 WeakPolarHBondContact O-CA 3.34Å; E44-K71 PolarHBondContact O-N 2.85Å; E44-K71 VanDerWaalsContact O-N 3.13Å; E44-S72 CarbonylContact O-C 3.58Å; E44-S72 WeakPolarHBondContact O-CA 3.42Å; E44-S72 PolarHBondContact O-N 2.79Å; E44-S73 PolarHBondContact O-N 2.82Å; E44-Q103 PolarHBondContact OE1-NE2 3.45Å; E44-K121 WeakPolarHBondContact CG-O 3.06Å; E44-K121 PolarHBondContact N-O 2.84Å
45G81Confident79.4Confident13 Ų1339.2 Ų39.213%0.13420%0.203CC..THydrogen-bonded Turntrans-86.9-4178.800000115F43 S73 G123F43-G45 PolarHBondContact O-N 3.3Å; G45-S73 VanDerWaalsContact O-CA 3.3Å; G45-S73 WeakPolarHBondContact O-CA 3.44Å; G45-G123 VanDerWaalsContact CA-O 3.3Å; G45-G123 WeakPolarHBondContact CA-O 3.35Å; G45-G123 PolarHBondContact N-O 3.12Å
46D85.8Confident78.2Confident2 Ų239.8 Ų39.81%0.01120%0.202CC..  trans-116.1163.5-172.7-65.1-18.4000111.9F43 Y48 G70 G124 L125F43-D46 HydrophobicContact CB-CB 4.09Å; F43-D46 WeakPolarHBondContact CB-OD2 3.19Å; F43-D46 PolarHBondContact O-N 2.95Å; F43-D46 VanDerWaalsContact O-N 3.13Å; D46-Y48 HydrophobicContact CB-CD2 4.37Å; D46-Y48 HydrophobicContact CB-CE2 3.7Å; D46-G70 PolarHBondContact O-N 2.9Å; D46-G70 VanDerWaalsContact O-N 3.11Å; D46-G124 WeakPolarHBondContact OD1-CA 3.41Å; D46-L125 PolarHBondContact OD1-N 3.44Å; D46-L125 VanDerWaalsContact OD1-N 3.08Å; D46-L125 PolarHBondContact OD2-N 3.37Å
47C90.4Very high76.6Confident0 Ų044.1 Ų44.10%021%0.211CC..EExtended strand (participates in β ladder)trans-109.3146.7166.8-68.30000110.3T25 I26 W68 A81T25-C47 WeakPolarHBondContact CA-O 3.46Å; T25-C47 PolarHBondContact OG1-O 3Å; I26-C47 HydrophobicContact CB-CB 4.37Å; I26-C47 HydrophobicContact CG1-CB 4.21Å; I26-C47 PolarHBondContact N-O 3.34Å; C47-W68 CarbonylContact C-O 3.59Å; C47-W68 WeakPolarHBondContact CA-O 3.37Å; C47-A81 HydrophobicContact CB-CB 3.85Å
48Y91.9Very high75.4Confident7 Ų738.8 Ų38.83%0.02721%0.213CC..EExtended strand (participates in β ladder)trans-128.7150-178.5-65.5-103000111.4I23 W24 V34 F42 F43 D46 Y67 W68I23-Y48 HydrophobicContact CG2-CD1 4.04Å; W24-Y48 CarbonylContact O-C 3.58Å; W24-Y48 WeakPolarHBondContact O-CA 3.17Å; W24-Y48 WeakPolarHBondContact O-CB 3.41Å; V34-Y48 HydrophobicContact CG2-CD1 4.04Å; V34-Y48 HydrophobicContact CG2-CE1 3.94Å; F42-Y48 HydrophobicContact CB-CE2 4.16Å; F42-Y48 AromaticContact CD1-CD1 3.94Å; F42-Y48 HydrophobicContact CD1-CD1 3.94Å; F42-Y48 AromaticContact CD1-CD2 3.58Å; F42-Y48 HydrophobicContact CD1-CD2 3.58Å; F42-Y48 HydrophobicContact CD1-CE1 4.18Å; F42-Y48 AromaticContact CD1-CE2 3.82Å; F42-Y48 HydrophobicContact CD1-CE2 3.82Å; F42-Y48 AromaticContact CD1-CG 3.61Å; F42-Y48 HydrophobicContact CD1-CG 3.61Å; F42-Y48 HydrophobicContact CE1-CD1 4.08Å; F42-Y48 HydrophobicContact CE1-CD2 4.29Å; F42-Y48 AromaticContact CE1-CG 3.87Å; F42-Y48 HydrophobicContact CE1-CG 3.87Å; F42-Y48 HydrophobicContact CG-CE2 4.49Å; F43-Y48 VanDerWaalsContact CD2-OH 3.27Å; F43-Y48 WeakPolarHBondContact CD2-OH 3.22Å; F43-Y48 PolarHBondContact N-OH 3.48Å; D46-Y48 HydrophobicContact CB-CD2 4.37Å; D46-Y48 HydrophobicContact CB-CE2 3.7Å; Y48-Y67 CarbonylContact O-C 3.54Å; Y48-Y67 VanDerWaalsContact O-CA 3.24Å; Y48-Y67 WeakPolarHBondContact O-CA 3.26Å; Y48-W68 AromaticContact CD2-CE3 3.62Å; Y48-W68 HydrophobicContact CD2-CE3 3.62Å; Y48-W68 AromaticContact CD2-CZ3 3.89Å; Y48-W68 HydrophobicContact CD2-CZ3 3.89Å; Y48-W68 HydrophobicContact CE2-CE3 4.19Å; Y48-W68 AromaticContact CE2-CZ3 3.99Å; Y48-W68 HydrophobicContact CE2-CZ3 3.99Å; Y48-W68 PolarHBondContact N-O 3.34Å; Y48-W68 PolarHBondContact O-N 2.82Å
49I93.1Very high74.4Confident0 Ų042.3 Ų42.30%024%0.235CC..EExtended strand (participates in β ladder)trans-118.4128.3171.5-59.1176.1000107.3I23 W24 I26 M31 I65 H66 Y84 V85 L88I23-I49 CarbonylContact C-O 3.59Å; I23-I49 WeakPolarHBondContact CA-O 3.46Å; W24-I49 HydrophobicContact CE3-CG2 4.46Å; W24-I49 PolarHBondContact N-O 3.13Å; W24-I49 PolarHBondContact O-N 2.98Å; I26-I49 HydrophobicContact CD1-CD1 3.89Å; I26-I49 HydrophobicContact CD1-CG1 4.38Å; M31-I49 HydrophobicContact SD-CD1 4.25Å; I49-I65 HydrophobicContact CG2-CG2 4.27Å; I49-H66 CarbonylContact C-O 3.48Å; I49-H66 WeakPolarHBondContact CA-O 3.09Å; I49-Y84 HydrophobicContact CD1-CG 4.18Å; I49-V85 HydrophobicContact CD1-CG2 4.26Å; I49-V85 HydrophobicContact CG1-CG2 4.22Å; I49-V85 HydrophobicContact CG2-CG2 4.41Å; I49-L88 HydrophobicContact CG2-CD2 4.11Å
50I93.1Very high73.3Confident0 Ų042 Ų420%025%0.247CC..EExtended strand (participates in β ladder)trans-122.7125.5-177.2-58.479.5000107.3L21 Q22 I23 F42 I65 H66 W68 F110L21-I50 HydrophobicContact CD1-CG2 3.42Å; L21-I50 VanDerWaalsContact CD1-CG2 3.42Å; L21-I50 HydrophobicContact CG-CG2 4.29Å; Q22-I50 CarbonylContact O-C 3.57Å; Q22-I50 WeakPolarHBondContact O-CA 3.45Å; I23-I50 HydrophobicContact CD1-CG1 4.33Å; I23-I50 HydrophobicContact CG1-CB 4.49Å; I23-I50 HydrophobicContact CG1-CG1 4.02Å; I23-I50 HydrophobicContact CG1-CG2 4.14Å; I23-I50 HydrophobicContact CG2-CG1 4.11Å; F42-I50 HydrophobicContact CE1-CD1 4.21Å; I50-I65 CarbonylContact O-C 3.54Å; I50-I65 WeakPolarHBondContact O-CA 3.37Å; I50-H66 HydrophobicContact CB-CB 4.16Å; I50-H66 PolarHBondContact N-O 2.9Å; I50-H66 PolarHBondContact O-N 2.85Å; I50-W68 HydrophobicContact CD1-CB 4.06Å; I50-F110 HydrophobicContact CB-CE2 4.43Å; I50-F110 HydrophobicContact CD1-CE2 3.67Å; I50-F110 HydrophobicContact CD1-CZ 4.27Å; I50-F110 HydrophobicContact CG1-CE2 3.84Å
51L91.5Very high73.6Confident0 Ų047 Ų470%027%0.268CS..EExtended strand (participates in β ladder)trans-113.1124.7173.4177.968.1000108.7I15 Q22 W24 I53 I63 D64 I65 L92I15-L51 HydrophobicContact CG2-CD2 3.73Å; Q22-L51 HydrophobicContact CB-CB 4.46Å; Q22-L51 PolarHBondContact N-O 2.8Å; Q22-L51 PolarHBondContact O-N 3.25Å; W24-L51 HydrophobicContact CH2-CB 4.12Å; W24-L51 HydrophobicContact CH2-CD2 4.23Å; W24-L51 HydrophobicContact CZ3-CB 3.65Å; L51-I53 HydrophobicContact CD2-CD1 4.33Å; L51-I53 HydrophobicContact CG-CG1 4.29Å; L51-I63 HydrophobicContact CD1-CG2 3.59Å; L51-D64 WeakPolarHBondContact CA-O 3.43Å; L51-I65 HydrophobicContact CD1-CG1 3.76Å; L51-L92 HydrophobicContact CD1-CD1 3.88Å; L51-L92 HydrophobicContact CD2-CD1 4.44Å
52N88.3Confident73.8Confident22 Ų2247.3 Ų47.312%0.11827%0.273CS..EExtended strand (participates in β ladder)trans-118.1121.9172.6179.959000109.7L21 D64 Y113L21-N52 HydrophobicContact CD1-CB 3.95Å; N52-D64 HydrophobicContact CB-CB 4.38Å; N52-D64 PolarHBondContact N-O 3.43Å; N52-D64 PolarHBondContact O-N 3.45Å; N52-Y113 HydrophobicContact CB-CE1 4.21Å; N52-Y113 HydrophobicContact CB-CE2 4.26Å
53I85.4Confident74.1Confident4 Ų448.4 Ų48.42%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-108.8120.6173.7-59.2175000107.6P19 G20 L51 E61 I63P19-I53 CarbonylContact C-O 3.57Å; P19-I53 WeakPolarHBondContact CA-O 3.24Å; G20-I53 PolarHBondContact N-O 2.97Å; G20-I53 PolarHBondContact O-N 3.49Å; G20-I53 VanDerWaalsContact O-N 3.07Å; L51-I53 HydrophobicContact CD2-CD1 4.33Å; L51-I53 HydrophobicContact CG-CG1 4.29Å; I53-E61 HydrophobicContact CG2-CG 3.89Å; I53-E61 WeakPolarHBondContact CG2-OE1 3.31Å; I53-I63 HydrophobicContact CG1-CG1 4.47Å; I53-I63 HydrophobicContact CG1-CG2 4.23Å
54S73.9Confident74.4Confident25 Ų2547 Ų4718%0.17527%0.273CS..EExtended strand (participates in β ladder)trans-121.4144.9179970000111.2E61 S62S54-E61 WeakPolarHBondContact O-CA 3.38Å; S54-S62 PolarHBondContact N-O 3.46Å; S54-S62 PolarHBondContact O-N 3.2Å; S54-S62 PolarHBondContact OG-OG 3.05Å
55K67.2Low74.9Confident155 Ų15545.3 Ų45.367%0.67427%0.265SS*.EExtended strand (participates in β ladder)trans-126.7103.4-178.1-161.2173.8-172.1175.10109.2P19P19-K55 HydrophobicContact CG-CB 4.05Å
56N48.1Very low75.4Confident98 Ų9844.7 Ų44.752%0.52426%0.259SS..EExtended strand (participates in β ladder)trans-99.7131.8-179.8-71.2-19.5000110G58 V59 G60N56-G58 PolarHBondContact O-N 3.46Å; N56-G58 VanDerWaalsContact O-N 3.15Å; N56-V59 HydrophobicContact CB-CB 4.44Å; N56-V59 PolarHBondContact O-N 2.93Å; N56-G60 PolarHBondContact N-O 3.32Å
57K37.9Very low75.8Confident199 Ų19945 Ų4587%0.86526%0.26SS*.THydrogen-bonded Turntrans-59119.1175.9-74.1-175.3177.2-178.70109.1
58G42.1Very low75.9Confident88 Ų8845 Ų4591%0.90726%0.26SS*.THydrogen-bonded Turntrans92.6-12.2175.500000117.5N56N56-G58 PolarHBondContact O-N 3.46Å; N56-G58 VanDerWaalsContact O-N 3.15Å
59V43.8Very low75.7Confident114 Ų11445 Ų4569%0.69126%0.261SS*.THydrogen-bonded Turntrans-115.5-6.4-174.9-173.20000113.3N56N56-V59 HydrophobicContact CB-CB 4.44Å; N56-V59 PolarHBondContact O-N 2.93Å
60G55.5Low75.3Confident47 Ų4745.1 Ų45.149%0.48526%0.261SS..EExtended strand (participates in β ladder)trans91.5-174.2-177.100000113.3N56N56-G60 PolarHBondContact N-O 3.32Å
61E67.4Low74.7Confident108 Ų10853.3 Ų53.351%0.50530%0.297SS..EExtended strand (participates in β ladder)trans-88.2126.3177.1-178.1170.5-12000109.4I53 S54 I63I53-E61 HydrophobicContact CG2-CG 3.89Å; I53-E61 WeakPolarHBondContact CG2-OE1 3.31Å; S54-E61 WeakPolarHBondContact O-CA 3.38Å; E61-I63 HydrophobicContact CG-CG1 4.25Å
62S74.3Confident74.2Confident40 Ų4057.4 Ų57.428%0.2833%0.325SS..EExtended strand (participates in β ladder)trans-103136.917386.80000109.8S54S54-S62 PolarHBondContact N-O 3.46Å; S54-S62 PolarHBondContact O-N 3.2Å; S54-S62 PolarHBondContact OG-OG 3.05Å
63I84.8Confident74Confident24 Ų2457 Ų5712%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-126.6117.2-179.3-52.2177.4000107.9L51 I53 E61 L92 P96 V97L51-I63 HydrophobicContact CD1-CG2 3.59Å; I53-I63 HydrophobicContact CG1-CG1 4.47Å; I53-I63 HydrophobicContact CG1-CG2 4.23Å; E61-I63 HydrophobicContact CG-CG1 4.25Å; I63-L92 HydrophobicContact CG2-CD1 4.11Å; I63-P96 HydrophobicContact CB-CB 4.21Å; I63-P96 HydrophobicContact CB-CG 4.12Å; I63-P96 HydrophobicContact CG2-CB 3.95Å; I63-P96 HydrophobicContact CG2-CG 3.75Å; I63-P96 CarbonylContact O-C 3.6Å; I63-P96 WeakPolarHBondContact O-CA 3.3Å; I63-V97 PolarHBondContact O-N 3.41Å
64D86.3Confident73.8Confident6 Ų659.1 Ų59.13%0.03234%0.339CS..EExtended strand (participates in β ladder)trans-115.1126.1-177.9-56.5-58.1000109L51 N52 Y99 K109L51-D64 WeakPolarHBondContact CA-O 3.43Å; N52-D64 HydrophobicContact CB-CB 4.38Å; N52-D64 PolarHBondContact N-O 3.43Å; N52-D64 PolarHBondContact O-N 3.45Å; D64-Y99 HydrophobicContact CB-CD2 4.5Å; D64-Y99 HydrophobicContact CB-CE2 4.03Å; D64-K109 IonicContact OD1-NZ 2.74Å; D64-K109 WeakPolarHBondContact OD2-CE 3.12Å; D64-K109 IonicContact OD2-NZ 2.81Å; D64-K109 PolarHBondContact OD2-NZ 2.89Å
65I91.9Very high74.1Confident0 Ų065.8 Ų65.80%037%0.368CS..EExtended strand (participates in β ladder)trans-111.5117.3173.7-57.1167.4000108.3I49 I50 L51 V85 L88 D89 L92 P96 V97 Q98 Y99I49-I65 HydrophobicContact CG2-CG2 4.27Å; I50-I65 CarbonylContact O-C 3.54Å; I50-I65 WeakPolarHBondContact O-CA 3.37Å; L51-I65 HydrophobicContact CD1-CG1 3.76Å; I65-V85 HydrophobicContact CG2-CG1 3.96Å; I65-V85 HydrophobicContact CG2-CG2 4.23Å; I65-L88 HydrophobicContact CD1-CB 4.4Å; I65-L88 HydrophobicContact CD1-CD2 4.1Å; I65-L88 HydrophobicContact CD1-CG 3.86Å; I65-L88 HydrophobicContact CG1-CD2 4.25Å; I65-L88 HydrophobicContact CG2-CD2 4.13Å; I65-D89 HydrophobicContact CD1-CB 4.37Å; I65-L92 HydrophobicContact CD1-CD1 4.16Å; I65-P96 HydrophobicContact CD1-CB 3.58Å; I65-P96 HydrophobicContact CD1-CG 3.89Å; I65-P96 HydrophobicContact CG1-CB 3.85Å; I65-P96 HydrophobicContact CG1-CG 4.44Å; I65-V97 PolarHBondContact N-O 3.37Å; I65-Q98 CarbonylContact O-C 3.53Å; I65-Q98 VanDerWaalsContact O-CA 3.25Å; I65-Q98 WeakPolarHBondContact O-CA 3.27Å; I65-Y99 PolarHBondContact O-N 3.13Å
66H91.3Very high74.6Confident0 Ų063.8 Ų63.80%037%0.365CS..EExtended strand (participates in β ladder)trans-107.3142.1172-53.6-110.5000109.3I49 I50 Y99 E101 F110 Y113I49-H66 CarbonylContact C-O 3.48Å; I49-H66 WeakPolarHBondContact CA-O 3.09Å; I50-H66 HydrophobicContact CB-CB 4.16Å; I50-H66 PolarHBondContact N-O 2.9Å; I50-H66 PolarHBondContact O-N 2.85Å; H66-Y99 CarbonylContact C-O 3.45Å; H66-Y99 WeakPolarHBondContact CA-O 3.46Å; H66-Y99 AromaticContact CD2-CD2 3.96Å; H66-Y99 AromaticContact CE1-CD2 3.26Å; H66-Y99 WeakPolarHBondContact CE1-CD2 3.32Å; H66-Y99 AromaticContact CE1-CE2 3.82Å; H66-Y99 AromaticContact CE1-CG 3.43Å; H66-Y99 VanDerWaalsContact CE1-CG 3.43Å; H66-Y99 VanDerWaalsContact ND1-CB 3.27Å; H66-Y99 WeakPolarHBondContact ND1-CB 3.48Å; H66-Y99 AromaticContact ND1-CD2 3.63Å; H66-Y99 AromaticContact ND1-CG 3.49Å; H66-Y99 AromaticContact NE2-CD2 3.49Å; H66-Y99 WeakPolarHBondContact NE2-CD2 3.26Å; H66-Y99 AromaticContact NE2-CE2 3.91Å; H66-E101 HydrophobicContact CB-CG 3.93Å; H66-E101 IonicContact CE1-OE1 2.94Å; H66-E101 IonicContact CG-OE1 3.09Å; H66-E101 IonicContact ND1-OE1 2.85Å; H66-E101 PolarHBondContact ND1-OE1 3.05Å; H66-F110 HydrophobicContact CB-CD2 3.83Å; H66-F110 HydrophobicContact CB-CE2 4.2Å; H66-F110 AromaticContact CG-CD2 3.82Å; H66-F110 AromaticContact ND1-CD2 3.78Å; H66-Y113 AromaticContact CD2-CE2 3.59Å; H66-Y113 AromaticContact CE1-CE2 3.84Å; H66-Y113 AromaticContact NE2-CE2 3.25Å; H66-Y113 WeakPolarHBondContact NE2-CE2 3.41Å; H66-Y113 AromaticContact NE2-CZ 3.43Å; H66-Y113 PolarHBondContact NE2-OH 2.87Å
67Y92.4Very high76.2Confident8 Ų860.1 Ų60.13%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-121.6119.2166.488-87.7000109.3Y48 I69 A81 V85 Y99 R100 E101 M316Y48-Y67 CarbonylContact O-C 3.54Å; Y48-Y67 VanDerWaalsContact O-CA 3.24Å; Y48-Y67 WeakPolarHBondContact O-CA 3.26Å; Y67-I69 HydrophobicContact CD2-CD1 4.31Å; Y67-I69 HydrophobicContact CD2-CG1 3.93Å; Y67-I69 HydrophobicContact CE2-CD1 3.5Å; Y67-I69 HydrophobicContact CE2-CG1 3.63Å; Y67-A81 HydrophobicContact CD2-CB 4.28Å; Y67-V85 VanDerWaalsContact CB-CG2 3.48Å; Y67-V85 HydrophobicContact CD1-CG2 4.32Å; Y67-V85 HydrophobicContact CG-CG2 4.09Å; Y67-Y99 VanDerWaalsContact CD1-O 3.3Å; Y67-Y99 WeakPolarHBondContact CD1-O 3.18Å; Y67-Y99 PolarHBondContact N-O 3.19Å; Y67-R100 HydrophobicContact CD1-CB 4.2Å; Y67-R100 HydrophobicContact CE1-CB 3.41Å; Y67-R100 VanDerWaalsContact CE1-CB 3.41Å; Y67-R100 HydrophobicContact CE1-CG 3.65Å; Y67-R100 HydrophobicContact CE2-CG 4.2Å; Y67-R100 VanDerWaalsContact CZ-CG 3.43Å; Y67-R100 WeakPolarHBondContact OH-CD 3.04Å; Y67-R100 VanDerWaalsContact OH-CG 3.28Å; Y67-R100 WeakPolarHBondContact OH-CG 3.3Å; Y67-R100 PolarHBondContact OH-NE 2.9Å; Y67-E101 PolarHBondContact O-N 3.43Å; Y67-M316 HydrophobicContact CE1-CE 4.05Å; Y67-M316 HydrophobicContact CE1-SD 4.14Å
68W92.6Very high78.4Confident0 Ų053.7 Ų53.70%032%0.318CS..EExtended strand (participates in β ladder)trans-102.4132.2-173.8-176.897.9000110.2F42 F43 C47 Y48 I50 G70 E101 Q103 E106 F110 Y120F42-W68 HydrophobicContact CB-CD2 4.47Å; F42-W68 HydrophobicContact CB-CE3 4.26Å; F42-W68 HydrophobicContact CB-CH2 3.58Å; F42-W68 HydrophobicContact CB-CZ2 3.83Å; F42-W68 HydrophobicContact CB-CZ3 3.82Å; F42-W68 HydrophobicContact CD1-CD2 4.1Å; F42-W68 HydrophobicContact CD1-CE3 4.05Å; F42-W68 HydrophobicContact CD1-CG 4.48Å; F42-W68 HydrophobicContact CD1-CZ3 4.41Å; F42-W68 HydrophobicContact CG-CD2 4.4Å; F42-W68 HydrophobicContact CG-CE3 4.46Å; F42-W68 HydrophobicContact CG-CH2 4.47Å; F42-W68 HydrophobicContact CG-CZ2 4.41Å; F43-W68 WeakPolarHBondContact O-CZ3 3.46Å; C47-W68 CarbonylContact C-O 3.59Å; C47-W68 WeakPolarHBondContact CA-O 3.37Å; Y48-W68 AromaticContact CD2-CE3 3.62Å; Y48-W68 HydrophobicContact CD2-CE3 3.62Å; Y48-W68 AromaticContact CD2-CZ3 3.89Å; Y48-W68 HydrophobicContact CD2-CZ3 3.89Å; Y48-W68 HydrophobicContact CE2-CE3 4.19Å; Y48-W68 AromaticContact CE2-CZ3 3.99Å; Y48-W68 HydrophobicContact CE2-CZ3 3.99Å; Y48-W68 PolarHBondContact N-O 3.34Å; Y48-W68 PolarHBondContact O-N 2.82Å; I50-W68 HydrophobicContact CD1-CB 4.06Å; W68-G70 VanDerWaalsContact CH2-CA 3.48Å; W68-G70 VanDerWaalsContact CZ3-N 3.27Å; W68-E101 CarbonylContact C-O 3.56Å; W68-E101 VanDerWaalsContact CA-O 3.28Å; W68-E101 WeakPolarHBondContact CA-O 3.39Å; W68-E101 HydrophobicContact CB-CB 4.09Å; W68-E101 HydrophobicContact CG-CB 4.26Å; W68-Q103 HydrophobicContact CH2-CB 4.04Å; W68-Q103 HydrophobicContact CH2-CG 4.2Å; W68-Q103 HydrophobicContact CZ2-CB 3.49Å; W68-Q103 VanDerWaalsContact CZ2-CB 3.49Å; W68-Q103 HydrophobicContact CZ2-CG 3.67Å; W68-E106 PolarHBondContact NE1-OE1 3.24Å; W68-F110 HydrophobicContact CB-CE2 4.38Å; W68-F110 HydrophobicContact CB-CZ 4.16Å; W68-F110 AromaticContact CD1-CE1 3.77Å; W68-F110 AromaticContact CD1-CZ 3.67Å; W68-F110 HydrophobicContact CG-CZ 4.09Å; W68-Y120 HydrophobicContact CH2-CD1 4.46Å; W68-Y120 AromaticContact CZ2-CD1 3.87Å; W68-Y120 HydrophobicContact CZ2-CD1 3.87Å; W68-Y120 AromaticContact CZ2-CE1 3.82Å; W68-Y120 HydrophobicContact CZ2-CE1 3.82Å
69I89.4Confident80.3Confident8 Ų851.2 Ų51.24%0.04129%0.292CS..EExtended strand (participates in β ladder)trans-112.3115.9-176.2-53.9176.7000109.3Y67 S73 Q78 R100 E101 Q103Y67-I69 HydrophobicContact CD2-CD1 4.31Å; Y67-I69 HydrophobicContact CD2-CG1 3.93Å; Y67-I69 HydrophobicContact CE2-CD1 3.5Å; Y67-I69 HydrophobicContact CE2-CG1 3.63Å; I69-S73 VanDerWaalsContact CG2-OG 3.27Å; I69-S73 WeakPolarHBondContact CG2-OG 3.45Å; I69-Q78 HydrophobicContact CG2-CG 3.69Å; I69-R100 HydrophobicContact CD1-CG 4.37Å; I69-E101 PolarHBondContact N-O 3.04Å; I69-Q103 PolarHBondContact O-N 3.28Å
70G83.6Confident82.2Confident2 Ų246.2 Ų46.22%0.02126%0.262CS..  trans-69.4147.3172.500000112.4E44 D46 W68 S72 S73E44-G70 CarbonylContact O-C 3.53Å; E44-G70 WeakPolarHBondContact O-CA 3.34Å; D46-G70 PolarHBondContact O-N 2.9Å; D46-G70 VanDerWaalsContact O-N 3.11Å; W68-G70 VanDerWaalsContact CH2-CA 3.48Å; W68-G70 VanDerWaalsContact CZ3-N 3.27Å; G70-S72 PolarHBondContact O-N 3.48Å; G70-S72 VanDerWaalsContact O-N 3.17Å; G70-S73 WeakPolarHBondContact O-CB 3.32Å; G70-S73 PolarHBondContact O-N 2.84Å; G70-S73 VanDerWaalsContact O-N 3.1Å; G70-S73 PolarHBondContact O-OG 3.5Å
71K81.6Confident83.6Confident172 Ų17244 Ų4475%0.74824%0.239SC*.THydrogen-bonded Turntrans-58.6-28.7-176.5-177.6176.1179.5176.40113.8E44 Q103E44-K71 PolarHBondContact O-N 2.85Å; E44-K71 VanDerWaalsContact O-N 3.13Å; K71-Q103 HydrophobicContact CB-CB 4.43Å; K71-Q103 VanDerWaalsContact CB-OE1 3.31Å
72S79.8Confident84.2Confident85 Ų8540.2 Ų40.259%0.59423%0.226SC*.THydrogen-bonded Turntrans-111.813.9-179.2-59.30000112.9E44 G70E44-S72 CarbonylContact O-C 3.58Å; E44-S72 WeakPolarHBondContact O-CA 3.42Å; E44-S72 PolarHBondContact O-N 2.79Å; G70-S72 PolarHBondContact O-N 3.48Å; G70-S72 VanDerWaalsContact O-N 3.17Å
73S83.8Confident84.7Confident13 Ų1343.6 Ų43.69%0.09124%0.241CC..  trans-69.5146.8179.563.70000112.8E44 G45 I69 G70 Q78E44-S73 PolarHBondContact O-N 2.82Å; G45-S73 VanDerWaalsContact O-CA 3.3Å; G45-S73 WeakPolarHBondContact O-CA 3.44Å; I69-S73 VanDerWaalsContact CG2-OG 3.27Å; I69-S73 WeakPolarHBondContact CG2-OG 3.45Å; G70-S73 WeakPolarHBondContact O-CB 3.32Å; G70-S73 PolarHBondContact O-N 2.84Å; G70-S73 VanDerWaalsContact O-N 3.1Å; G70-S73 PolarHBondContact O-OG 3.5Å; S73-Q78 PolarHBondContact O-NE2 2.86Å; S73-Q78 PolarHBondContact OG-NE2 2.84Å
74S82Confident84.8Confident49 Ų4943.9 Ų43.934%0.34324%0.24SC..  trans-75.2152.8-179.269.30000112.4D76 E77 Q78S74-D76 PolarHBondContact O-N 3.29Å; S74-E77 PolarHBondContact N-OE2 3.08Å; S74-E77 PolarHBondContact O-N 2.91Å; S74-E77 WeakPolarHBondContact OG-CB 3.42Å; S74-E77 WeakPolarHBondContact OG-CG 2.99Å; S74-E77 PolarHBondContact OG-N 3.15Å; S74-E77 PolarHBondContact OG-OE2 3.18Å; S74-Q78 WeakPolarHBondContact O-CG 3.29Å; S74-Q78 PolarHBondContact O-N 3.3Å
75Q79.4Confident84.8Confident165 Ų16543.8 Ų43.877%0.77124%0.24SC*.Hα-helixtrans-61.1-34.4178-172.5174.60.800112.2Q78 G79Q75-Q78 PolarHBondContact O-N 3.25Å; Q75-G79 PolarHBondContact O-N 2.99Å
76D79.4Confident84.4Confident113 Ų11345.3 Ų45.360%0.60425%0.249SC*.Hα-helixtrans-68.4-39.1178.3-67.7-21.3000112M29 S74 G79 S80M29-D76 HydrophobicContact CE-CB 3.83Å; M29-D76 WeakPolarHBondContact CE-O 3.43Å; M29-D76 HydrophobicContact SD-CB 3.88Å; S74-D76 PolarHBondContact O-N 3.29Å; D76-G79 PolarHBondContact O-N 2.71Å; D76-S80 WeakPolarHBondContact O-CB 3.2Å; D76-S80 PolarHBondContact O-N 3.01Å; D76-S80 PolarHBondContact O-OG 3.07Å
77E81.1Confident84.1Confident22 Ų2248.4 Ų48.410%0.10326%0.264CS..Hα-helixtrans-69.8-39174.9-74.5164.5152.500111.9I26 S74 S80 A81I26-E77 HydrophobicContact CG2-CB 4.35Å; I26-E77 HydrophobicContact CG2-CG 4.24Å; S74-E77 PolarHBondContact N-OE2 3.08Å; S74-E77 PolarHBondContact O-N 2.91Å; S74-E77 WeakPolarHBondContact OG-CB 3.42Å; S74-E77 WeakPolarHBondContact OG-CG 2.99Å; S74-E77 PolarHBondContact OG-N 3.15Å; S74-E77 PolarHBondContact OG-OE2 3.18Å; E77-S80 PolarHBondContact O-N 3.15Å; E77-A81 WeakPolarHBondContact O-CB 3.14Å; E77-A81 PolarHBondContact O-N 2.7Å
78Q84.3Confident83.7Confident64 Ų6448 Ų4830%0.29926%0.262SS..Hα-helixtrans-61.9-45.4173.2-70.2177.636.300111.4I69 S73 S74 Q75 S80 A81 A82I69-Q78 HydrophobicContact CG2-CG 3.69Å; S73-Q78 PolarHBondContact O-NE2 2.86Å; S73-Q78 PolarHBondContact OG-NE2 2.84Å; S74-Q78 WeakPolarHBondContact O-CG 3.29Å; S74-Q78 PolarHBondContact O-N 3.3Å; Q75-Q78 PolarHBondContact O-N 3.25Å; Q78-S80 VanDerWaalsContact C-N 3.34Å; Q78-A81 PolarHBondContact O-N 3.27Å; Q78-A82 PolarHBondContact O-N 2.92Å; Q78-A82 VanDerWaalsContact O-N 3.08Å
79G80.9Confident83.2Confident36 Ų3648.6 Ų48.637%0.37127%0.265SS..Hα-helixtrans-61.8-42175.500000112.1Q75 D76 A82 L83Q75-G79 PolarHBondContact O-N 2.99Å; D76-G79 PolarHBondContact O-N 2.71Å; G79-A82 PolarHBondContact O-N 2.92Å; G79-L83 WeakPolarHBondContact O-CG 3.46Å; G79-L83 PolarHBondContact O-N 3.49Å
80S83.6Confident82.9Confident9 Ų952.3 Ų52.36%0.06328%0.282CS..Hα-helixtrans-63.3-46.2175.2-66.30000112.5M29 D76 E77 Q78 A82 L83 Y84M29-S80 WeakPolarHBondContact CE-OG 3.44Å; M29-S80 PolarHBondContact SD-OG 3.17Å; D76-S80 WeakPolarHBondContact O-CB 3.2Å; D76-S80 PolarHBondContact O-N 3.01Å; D76-S80 PolarHBondContact O-OG 3.07Å; E77-S80 PolarHBondContact O-N 3.15Å; Q78-S80 VanDerWaalsContact C-N 3.34Å; S80-A82 VanDerWaalsContact C-N 3.32Å; S80-A82 PolarHBondContact O-N 3.36Å; S80-L83 PolarHBondContact O-N 3.49Å; S80-Y84 WeakPolarHBondContact O-CD2 3.49Å; S80-Y84 PolarHBondContact O-N 3.45Å
81A85.3Confident82.8Confident0 Ų055.4 Ų55.40%029%0.294CS..Hα-helixtrans-57.7-45.8178.100000111.2I26 C47 Y67 E77 Q78 L83 Y84 V85I26-A81 HydrophobicContact CG1-CB 3.92Å; C47-A81 HydrophobicContact CB-CB 3.85Å; Y67-A81 HydrophobicContact CD2-CB 4.28Å; E77-A81 WeakPolarHBondContact O-CB 3.14Å; E77-A81 PolarHBondContact O-N 2.7Å; Q78-A81 PolarHBondContact O-N 3.27Å; A81-L83 PolarHBondContact O-N 3.06Å; A81-Y84 PolarHBondContact O-N 3.01Å; A81-V85 WeakPolarHBondContact O-CG2 3.43Å; A81-V85 PolarHBondContact O-N 3.33Å
82A81.2Confident82.8Confident28 Ų2848 Ų4823%0.23126%0.263CS..Hα-helixtrans-62.3-4017700000113Q78 G79 S80 V85 T86Q78-A82 PolarHBondContact O-N 2.92Å; Q78-A82 VanDerWaalsContact O-N 3.08Å; G79-A82 PolarHBondContact O-N 2.92Å; S80-A82 VanDerWaalsContact C-N 3.32Å; S80-A82 PolarHBondContact O-N 3.36Å; A82-V85 PolarHBondContact O-N 2.93Å; A82-T86 PolarHBondContact O-N 2.73Å; A82-T86 VanDerWaalsContact O-N 3.13Å; A82-T86 PolarHBondContact O-OG1 3.09Å
83L83.4Confident82.6Confident112 Ų11247 Ų4759%0.58627%0.266SS*.Hα-helixtrans-63.2-46.6174.9-75.8170.5000111.9G79 S80 A81 V85 T86 Q87G79-L83 WeakPolarHBondContact O-CG 3.46Å; G79-L83 PolarHBondContact O-N 3.49Å; S80-L83 PolarHBondContact O-N 3.49Å; A81-L83 PolarHBondContact O-N 3.06Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 3.29Å; L83-T86 PolarHBondContact O-N 3.38Å; L83-Q87 WeakPolarHBondContact O-CG 3.41Å; L83-Q87 PolarHBondContact O-N 2.86Å
84Y87.3Confident82Confident29 Ų2946.8 Ų46.811%0.11427%0.265CS..Hα-helixtrans-63.4-39.1178.3-80.8-64.6000112.5M11 I26 M29 R30 M31 I49 S80 A81 T86 Q87 L88M11-Y84 HydrophobicContact CE-CD1 4.31Å; M11-Y84 HydrophobicContact CE-CE1 4.09Å; M11-Y84 HydrophobicContact CG-CE1 4.24Å; M11-Y84 HydrophobicContact SD-CD1 4.34Å; M11-Y84 HydrophobicContact SD-CE1 3.56Å; M11-Y84 VanDerWaalsContact SD-CE1 3.56Å; I26-Y84 HydrophobicContact CD1-CD2 3.59Å; I26-Y84 HydrophobicContact CD1-CE2 4.03Å; I26-Y84 HydrophobicContact CD1-CG 4.44Å; M29-Y84 WeakPolarHBondContact O-CE2 3.37Å; M29-Y84 PolarHBondContact O-OH 3.32Å; R30-Y84 WeakPolarHBondContact CA-OH 3.24Å; M31-Y84 HydrophobicContact CB-CD1 4.32Å; M31-Y84 HydrophobicContact CB-CE1 4.17Å; I49-Y84 HydrophobicContact CD1-CG 4.18Å; S80-Y84 WeakPolarHBondContact O-CD2 3.49Å; S80-Y84 PolarHBondContact O-N 3.45Å; A81-Y84 PolarHBondContact O-N 3.01Å; Y84-T86 VanDerWaalsContact C-N 3.32Å; Y84-T86 PolarHBondContact O-N 2.85Å; Y84-Q87 PolarHBondContact O-N 2.89Å; Y84-L88 WeakPolarHBondContact O-CB 3.35Å; Y84-L88 PolarHBondContact O-N 3.48Å
85V86.8Confident81.6Confident4 Ų447.7 Ų47.72%0.02427%0.272CS..Hα-helixtrans-61.1-43.3175.4170.50000110.9I49 I65 Y67 A81 A82 L83 L88 D89 Q98I49-V85 HydrophobicContact CD1-CG2 4.26Å; I49-V85 HydrophobicContact CG1-CG2 4.22Å; I49-V85 HydrophobicContact CG2-CG2 4.41Å; I65-V85 HydrophobicContact CG2-CG1 3.96Å; I65-V85 HydrophobicContact CG2-CG2 4.23Å; Y67-V85 VanDerWaalsContact CB-CG2 3.48Å; Y67-V85 HydrophobicContact CD1-CG2 4.32Å; Y67-V85 HydrophobicContact CG-CG2 4.09Å; A81-V85 WeakPolarHBondContact O-CG2 3.43Å; A81-V85 PolarHBondContact O-N 3.33Å; A82-V85 PolarHBondContact O-N 2.93Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 3.29Å; V85-L88 PolarHBondContact O-N 2.88Å; V85-D89 WeakPolarHBondContact O-CB 3.34Å; V85-D89 PolarHBondContact O-N 2.88Å; V85-Q98 HydrophobicContact CG1-CB 4.39Å; V85-Q98 HydrophobicContact CG1-CG 4.12Å
86T82.9Confident81.8Confident32 Ų3239.8 Ų39.820%0.19624%0.235CC..Hα-helixtrans-63.7-45.3178.1-54.40000111.3A82 L83 Y84 L88 D89 E90 R313A82-T86 PolarHBondContact O-N 2.73Å; A82-T86 VanDerWaalsContact O-N 3.13Å; A82-T86 PolarHBondContact O-OG1 3.09Å; L83-T86 PolarHBondContact O-N 3.38Å; Y84-T86 VanDerWaalsContact C-N 3.32Å; Y84-T86 PolarHBondContact O-N 2.85Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-D89 PolarHBondContact O-N 2.89Å; T86-E90 PolarHBondContact O-N 2.8Å; T86-E90 VanDerWaalsContact O-N 3.12Å; T86-R313 HydrophobicContact CG2-CG 3.87Å
87Q84.3Confident81.9Confident65 Ų6535 Ų3530%0.30421%0.209SC..Hα-helixtrans-66.7-36.2177.1-69.9174.6-1100112.4F12 L83 Y84 E90 Y91F12-Q87 HydrophobicContact CE2-CB 3.95Å; F12-Q87 HydrophobicContact CZ-CB 3.76Å; L83-Q87 WeakPolarHBondContact O-CG 3.41Å; L83-Q87 PolarHBondContact O-N 2.86Å; Y84-Q87 PolarHBondContact O-N 2.89Å; Q87-E90 PolarHBondContact O-N 3.08Å; Q87-Y91 WeakPolarHBondContact O-CB 3.35Å; Q87-Y91 PolarHBondContact O-N 3.07Å
88L85.1Confident82.3Confident0 Ų034.4 Ų34.40%021%0.207CC..Hα-helixtrans-67.6-41.5176.817956.9000111.6F12 I15 I49 I65 Y84 V85 T86 Y91 L92F12-L88 HydrophobicContact CD1-CD1 4.29Å; F12-L88 HydrophobicContact CE1-CB 4.21Å; F12-L88 HydrophobicContact CE1-CD1 4.26Å; F12-L88 HydrophobicContact CZ-CB 4.35Å; I15-L88 HydrophobicContact CD1-CD1 3.3Å; I49-L88 HydrophobicContact CG2-CD2 4.11Å; I65-L88 HydrophobicContact CD1-CB 4.4Å; I65-L88 HydrophobicContact CD1-CD2 4.1Å; I65-L88 HydrophobicContact CD1-CG 3.86Å; I65-L88 HydrophobicContact CG1-CD2 4.25Å; I65-L88 HydrophobicContact CG2-CD2 4.13Å; Y84-L88 WeakPolarHBondContact O-CB 3.35Å; Y84-L88 PolarHBondContact O-N 3.48Å; V85-L88 PolarHBondContact O-N 2.88Å; T86-L88 VanDerWaalsContact C-N 3.34Å; L88-Y91 PolarHBondContact O-N 2.78Å; L88-L92 HydrophobicContact CD1-CD1 3.8Å; L88-L92 HydrophobicContact CD1-CG 4.14Å; L88-L92 HydrophobicContact CG-CD1 4Å; L88-L92 WeakPolarHBondContact O-CB 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 2.9Å
89D82.3Confident82.3Confident13 Ų1332 Ų327%0.0720%0.195CC..Hα-helixtrans-58.2-48.6172.5-174.246.4000110.9I65 V85 T86 Y91 L92 G93 G94 P96 Q98 K303I65-D89 HydrophobicContact CD1-CB 4.37Å; V85-D89 WeakPolarHBondContact O-CB 3.34Å; V85-D89 PolarHBondContact O-N 2.88Å; T86-D89 PolarHBondContact O-N 2.89Å; D89-Y91 VanDerWaalsContact C-N 3.35Å; D89-Y91 PolarHBondContact O-N 2.83Å; D89-L92 CarbonylContact O-C 3.4Å; D89-L92 PolarHBondContact O-N 3.01Å; D89-G93 PolarHBondContact O-N 2.82Å; D89-G94 WeakPolarHBondContact O-CA 3.27Å; D89-G94 PolarHBondContact O-N 3.18Å; D89-G94 WeakPolarHBondContact OD1-CA 3.37Å; D89-P96 VanDerWaalsContact OD1-CD 3.29Å; D89-P96 WeakPolarHBondContact OD1-CD 3.37Å; D89-Q98 VanDerWaalsContact CB-NE2 3.33Å; D89-Q98 PolarHBondContact OD2-NE2 2.99Å; D89-K303 IonicContact OD2-NZ 3.32Å; D89-K303 PolarHBondContact OD2-NZ 3.5Å; D89-K303 VanDerWaalsContact OD2-NZ 3.09Å
90E82.2Confident82.7Confident85 Ų8531.3 Ų31.340%0.39718%0.181SC..Hα-helixtrans-59.7-43.1176.3-72.5-172.8175.900112.1T86 Q87 L92 G93 R313T86-E90 PolarHBondContact O-N 2.8Å; T86-E90 VanDerWaalsContact O-N 3.12Å; Q87-E90 PolarHBondContact O-N 3.08Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 3.45Å; E90-G93 PolarHBondContact O-N 2.9Å; E90-G93 VanDerWaalsContact O-N 3.14Å; E90-R313 IonicContact OE1-CZ 3.69Å; E90-R313 VanDerWaalsContact OE1-CZ 3.32Å; E90-R313 IonicContact OE1-NE 3.67Å; E90-R313 PolarHBondContact OE1-NE 2.89Å; E90-R313 IonicContact OE1-NH2 3.91Å; E90-R313 PolarHBondContact OE1-NH2 2.86Å; E90-R313 IonicContact OE2-NH2 3.94Å
91Y82.7Confident82.8Confident67 Ų6730.9 Ų30.926%0.26318%0.178SC..Hα-helixtrans-63.3-33.2177.8178.7-106.2000113.2F12 R17 Q87 L88 D89 G93F12-Y91 HydrophobicContact CB-CD1 3.99Å; F12-Y91 HydrophobicContact CB-CD2 4.29Å; F12-Y91 HydrophobicContact CB-CE1 3.87Å; F12-Y91 HydrophobicContact CB-CE2 4.2Å; F12-Y91 HydrophobicContact CB-CG 4.19Å; F12-Y91 HydrophobicContact CD2-CD2 4.29Å; F12-Y91 HydrophobicContact CD2-CG 4.09Å; F12-Y91 HydrophobicContact CG-CD1 4.32Å; F12-Y91 HydrophobicContact CG-CG 4.29Å; R17-Y91 PolarHBondContact NH2-O 2.77Å; Q87-Y91 WeakPolarHBondContact O-CB 3.35Å; Q87-Y91 PolarHBondContact O-N 3.07Å; L88-Y91 PolarHBondContact O-N 2.78Å; D89-Y91 VanDerWaalsContact C-N 3.35Å; D89-Y91 PolarHBondContact O-N 2.83Å; Y91-G93 VanDerWaalsContact C-N 3.28Å
92L80.4Confident82.6Confident17 Ų1732 Ų329%0.08919%0.185CC..THydrogen-bonded Turntrans-87.56.4177.7-65.9171.2000113.1L51 I63 I65 L88 D89 E90 S95 P96L51-L92 HydrophobicContact CD1-CD1 3.88Å; L51-L92 HydrophobicContact CD2-CD1 4.44Å; I63-L92 HydrophobicContact CG2-CD1 4.11Å; I65-L92 HydrophobicContact CD1-CD1 4.16Å; L88-L92 HydrophobicContact CD1-CD1 3.8Å; L88-L92 HydrophobicContact CD1-CG 4.14Å; L88-L92 HydrophobicContact CG-CD1 4Å; L88-L92 WeakPolarHBondContact O-CB 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 2.9Å; D89-L92 CarbonylContact O-C 3.4Å; D89-L92 PolarHBondContact O-N 3.01Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 3.45Å; L92-S95 PolarHBondContact O-OG 3.31Å; L92-P96 HydrophobicContact CB-CG 3.61Å; L92-P96 HydrophobicContact CD1-CG 3.79Å; L92-P96 HydrophobicContact CG-CG 4.36Å
93G75.3Confident82.4Confident64 Ų6431.6 Ų31.666%0.6618%0.178SC*.THydrogen-bonded Turntrans88.911.2174.900000114.7D89 E90 Y91 S95D89-G93 PolarHBondContact O-N 2.82Å; E90-G93 PolarHBondContact O-N 2.9Å; E90-G93 VanDerWaalsContact O-N 3.14Å; Y91-G93 VanDerWaalsContact C-N 3.28Å; G93-S95 PolarHBondContact O-N 3.11Å
94G71.8Confident81.5Confident8 Ų828 Ų288%0.08217%0.169CC..SBendtrans7115.417800000114.5D89 S338D89-G94 WeakPolarHBondContact O-CA 3.27Å; D89-G94 PolarHBondContact O-N 3.18Å; D89-G94 WeakPolarHBondContact OD1-CA 3.37Å; G94-S338 PolarHBondContact O-OG 2.94Å
95S73.1Confident80.6Confident68 Ų6832.7 Ų32.748%0.47619%0.189SC..  trans-87.9-24.1175.261.50000115.7L92 G93L92-S95 PolarHBondContact O-OG 3.31Å; G93-S95 PolarHBondContact O-N 3.11Å
96P84.2Confident80Confident0 Ų032.8 Ų32.80%019%0.19CC..SBendtrans-61.3151.1178.3-25.833.5000115.1I63 I65 D89 L92I63-P96 HydrophobicContact CB-CB 4.21Å; I63-P96 HydrophobicContact CB-CG 4.12Å; I63-P96 HydrophobicContact CG2-CB 3.95Å; I63-P96 HydrophobicContact CG2-CG 3.75Å; I63-P96 CarbonylContact O-C 3.6Å; I63-P96 WeakPolarHBondContact O-CA 3.3Å; I65-P96 HydrophobicContact CD1-CB 3.58Å; I65-P96 HydrophobicContact CD1-CG 3.89Å; I65-P96 HydrophobicContact CG1-CB 3.85Å; I65-P96 HydrophobicContact CG1-CG 4.44Å; D89-P96 VanDerWaalsContact OD1-CD 3.29Å; D89-P96 WeakPolarHBondContact OD1-CD 3.37Å; L92-P96 HydrophobicContact CB-CG 3.61Å; L92-P96 HydrophobicContact CD1-CG 3.79Å; L92-P96 HydrophobicContact CG-CG 4.36Å
97V81.9Confident79.1Confident11 Ų1132 Ų327%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-88130.9166.3-1710000108.7I63 I65 Y99 E335 M337 G341I63-V97 PolarHBondContact O-N 3.41Å; I65-V97 PolarHBondContact N-O 3.37Å; V97-Y99 HydrophobicContact CB-CE2 3.81Å; V97-Y99 HydrophobicContact CG1-CD2 4.35Å; V97-Y99 HydrophobicContact CG1-CE1 4.29Å; V97-Y99 HydrophobicContact CG1-CE2 3.57Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.42Å; V97-E335 HydrophobicContact CG1-CG 3.97Å; V97-M337 HydrophobicContact CG1-CB 4.11Å; V97-M337 HydrophobicContact CG2-CB 4.46Å; V97-G341 WeakPolarHBondContact CG2-O 3.3Å
98Q88.8Confident77.9Confident10 Ų1034.3 Ų34.35%0.04721%0.206CC..EExtended strand (participates in β ladder)trans-104.4138.4-178.8-55.5172.532.400110.7I65 V85 D89 E335 V336I65-Q98 CarbonylContact O-C 3.53Å; I65-Q98 VanDerWaalsContact O-CA 3.25Å; I65-Q98 WeakPolarHBondContact O-CA 3.27Å; V85-Q98 HydrophobicContact CG1-CB 4.39Å; V85-Q98 HydrophobicContact CG1-CG 4.12Å; D89-Q98 VanDerWaalsContact CB-NE2 3.33Å; D89-Q98 PolarHBondContact OD2-NE2 2.99Å; Q98-E335 CarbonylContact O-C 3.55Å; Q98-E335 WeakPolarHBondContact O-CA 3.46Å; Q98-V336 HydrophobicContact CB-CB 4.24Å; Q98-V336 PolarHBondContact N-O 2.87Å; Q98-V336 PolarHBondContact O-N 2.94Å
99Y85Confident77.1Confident14 Ų1438 Ų386%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-128.1132.3-178.5-63.2-88.1000110.7D64 I65 H66 Y67 V97 E101 E335D64-Y99 HydrophobicContact CB-CD2 4.5Å; D64-Y99 HydrophobicContact CB-CE2 4.03Å; I65-Y99 PolarHBondContact O-N 3.13Å; H66-Y99 CarbonylContact C-O 3.45Å; H66-Y99 WeakPolarHBondContact CA-O 3.46Å; H66-Y99 AromaticContact CD2-CD2 3.96Å; H66-Y99 AromaticContact CE1-CD2 3.26Å; H66-Y99 WeakPolarHBondContact CE1-CD2 3.32Å; H66-Y99 AromaticContact CE1-CE2 3.82Å; H66-Y99 AromaticContact CE1-CG 3.43Å; H66-Y99 VanDerWaalsContact CE1-CG 3.43Å; H66-Y99 VanDerWaalsContact ND1-CB 3.27Å; H66-Y99 WeakPolarHBondContact ND1-CB 3.48Å; H66-Y99 AromaticContact ND1-CD2 3.63Å; H66-Y99 AromaticContact ND1-CG 3.49Å; H66-Y99 AromaticContact NE2-CD2 3.49Å; H66-Y99 WeakPolarHBondContact NE2-CD2 3.26Å; H66-Y99 AromaticContact NE2-CE2 3.91Å; Y67-Y99 VanDerWaalsContact CD1-O 3.3Å; Y67-Y99 WeakPolarHBondContact CD1-O 3.18Å; Y67-Y99 PolarHBondContact N-O 3.19Å; V97-Y99 HydrophobicContact CB-CE2 3.81Å; V97-Y99 HydrophobicContact CG1-CD2 4.35Å; V97-Y99 HydrophobicContact CG1-CE1 4.29Å; V97-Y99 HydrophobicContact CG1-CE2 3.57Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.42Å; Y99-E101 WeakPolarHBondContact CB-OE1 3.39Å; Y99-E335 HydrophobicContact CD1-CB 4.33Å; Y99-E335 HydrophobicContact CD1-CG 3.9Å; Y99-E335 HydrophobicContact CE1-CB 4.35Å; Y99-E335 HydrophobicContact CE1-CG 3.53Å; Y99-E335 WeakPolarHBondContact CE1-OE1 3.46Å; Y99-E335 PolarHBondContact OH-OE1 2.83Å
100R89.2Confident76.8Confident22 Ų2237.3 Ų37.38%0.08322%0.219CC..EExtended strand (participates in β ladder)trans-95.3117.1167.2179.3176-175.3-98.1-2.8109.8Y67 I69 M316 S330 T332 V334Y67-R100 HydrophobicContact CD1-CB 4.2Å; Y67-R100 HydrophobicContact CE1-CB 3.41Å; Y67-R100 VanDerWaalsContact CE1-CB 3.41Å; Y67-R100 HydrophobicContact CE1-CG 3.65Å; Y67-R100 HydrophobicContact CE2-CG 4.2Å; Y67-R100 VanDerWaalsContact CZ-CG 3.43Å; Y67-R100 WeakPolarHBondContact OH-CD 3.04Å; Y67-R100 VanDerWaalsContact OH-CG 3.28Å; Y67-R100 WeakPolarHBondContact OH-CG 3.3Å; Y67-R100 PolarHBondContact OH-NE 2.9Å; I69-R100 HydrophobicContact CD1-CG 4.37Å; R100-M316 HydrophobicContact CB-CE 3.84Å; R100-M316 HydrophobicContact CG-CE 4.34Å; R100-S330 PolarHBondContact NH1-O 3Å; R100-S330 PolarHBondContact NH2-O 3.31Å; R100-T332 PolarHBondContact NH1-O 2.87Å; R100-T332 VanDerWaalsContact NH1-O 3.13Å; R100-V334 HydrophobicContact CB-CB 3.93Å; R100-V334 PolarHBondContact N-O 2.8Å
101E85.1Confident75.7Confident0 Ų038.6 Ų38.60%022%0.22CC..EExtended strand (participates in β ladder)trans-111.8127.4179.8-49.5-6518000109.4H66 Y67 W68 I69 Y99 E106 S107 F110H66-E101 HydrophobicContact CB-CG 3.93Å; H66-E101 IonicContact CE1-OE1 2.94Å; H66-E101 IonicContact CG-OE1 3.09Å; H66-E101 IonicContact ND1-OE1 2.85Å; H66-E101 PolarHBondContact ND1-OE1 3.05Å; Y67-E101 PolarHBondContact O-N 3.43Å; W68-E101 CarbonylContact C-O 3.56Å; W68-E101 VanDerWaalsContact CA-O 3.28Å; W68-E101 WeakPolarHBondContact CA-O 3.39Å; W68-E101 HydrophobicContact CB-CB 4.09Å; W68-E101 HydrophobicContact CG-CB 4.26Å; I69-E101 PolarHBondContact N-O 3.04Å; Y99-E101 WeakPolarHBondContact CB-OE1 3.39Å; E101-E106 HydrophobicContact CB-CG 4.39Å; E101-E106 WeakPolarHBondContact OE2-CA 3.18Å; E101-S107 WeakPolarHBondContact OE1-CB 2.94Å; E101-S107 PolarHBondContact OE1-OG 3.24Å; E101-S107 WeakPolarHBondContact OE2-CB 3.38Å; E101-S107 PolarHBondContact OE2-N 2.74Å; E101-S107 PolarHBondContact OE2-OG 3.23Å; E101-F110 HydrophobicContact CG-CB 4.13Å; E101-F110 HydrophobicContact CG-CD2 3.8Å; E101-F110 HydrophobicContact CG-CE2 4.33Å; E101-F110 HydrophobicContact CG-CG 3.96Å; E101-F110 WeakPolarHBondContact OE1-CB 3.22Å
102V81.3Confident74.9Confident23 Ų2338.7 Ų38.714%0.13923%0.23CC..EExtended strand (participates in β ladder)trans-112.6136.2176.8-178.20000108.2G104 F105 E106V102-G104 PolarHBondContact O-N 2.91Å; V102-F105 CarbonylContact O-C 3.57Å; V102-F105 WeakPolarHBondContact O-CA 3.18Å; V102-F105 PolarHBondContact O-N 2.86Å; V102-E106 PolarHBondContact O-N 3.41Å
103Q77.4Confident74.5Confident20 Ų2039.7 Ų39.79%0.09323%0.233CC..THydrogen-bonded Turntrans-47.1123.3179.6-179.2177.8-15.300111.9E44 W68 I69 K71 F105 E106 Y120E44-Q103 PolarHBondContact OE1-NE2 3.45Å; W68-Q103 HydrophobicContact CH2-CB 4.04Å; W68-Q103 HydrophobicContact CH2-CG 4.2Å; W68-Q103 HydrophobicContact CZ2-CB 3.49Å; W68-Q103 VanDerWaalsContact CZ2-CB 3.49Å; W68-Q103 HydrophobicContact CZ2-CG 3.67Å; I69-Q103 PolarHBondContact O-N 3.28Å; K71-Q103 HydrophobicContact CB-CB 4.43Å; K71-Q103 VanDerWaalsContact CB-OE1 3.31Å; Q103-F105 VanDerWaalsContact C-N 3.3Å; Q103-F105 PolarHBondContact O-N 2.81Å; Q103-E106 VanDerWaalsContact CA-OE1 3.29Å; Q103-E106 WeakPolarHBondContact CA-OE1 3.4Å; Q103-Y120 HydrophobicContact CG-CD1 4.04Å; Q103-Y120 HydrophobicContact CG-CD2 4.21Å; Q103-Y120 HydrophobicContact CG-CE1 4.05Å; Q103-Y120 HydrophobicContact CG-CE2 4.2Å; Q103-Y120 HydrophobicContact CG-CG 4.16Å
104G65.6Low74.2Confident37 Ų3737.5 Ų37.538%0.38121%0.205SC..THydrogen-bonded Turntrans87.6-14.1179.900000115V102 E106 R111V102-G104 PolarHBondContact O-N 2.91Å; G104-E106 PolarHBondContact N-OE1 3.32Å; G104-E106 PolarHBondContact N-OE2 3.2Å; G104-R111 PolarHBondContact O-NH2 3.1Å; G104-R111 VanDerWaalsContact O-NH2 3.16Å
105F68Low73Confident126 Ų12646.6 Ų46.655%0.55324%0.243SC*.  trans-124.127.9-177.8-63.1-87.7000112.1V102 Q103V102-F105 CarbonylContact O-C 3.57Å; V102-F105 WeakPolarHBondContact O-CA 3.18Å; V102-F105 PolarHBondContact O-N 2.86Å; Q103-F105 VanDerWaalsContact C-N 3.3Å; Q103-F105 PolarHBondContact O-N 2.81Å
106E72.9Confident71.7Confident7 Ų751.4 Ų51.43%0.03326%0.263CS..  trans-65.6145.6-178.2-54.481.3-178.900112.6W68 E101 V102 Q103 G104 F110 R111 L118 Y120W68-E106 PolarHBondContact NE1-OE1 3.24Å; E101-E106 HydrophobicContact CB-CG 4.39Å; E101-E106 WeakPolarHBondContact OE2-CA 3.18Å; V102-E106 PolarHBondContact O-N 3.41Å; Q103-E106 VanDerWaalsContact CA-OE1 3.29Å; Q103-E106 WeakPolarHBondContact CA-OE1 3.4Å; G104-E106 PolarHBondContact N-OE1 3.32Å; G104-E106 PolarHBondContact N-OE2 3.2Å; E106-F110 HydrophobicContact CB-CB 4.4Å; E106-F110 HydrophobicContact CB-CD1 3.62Å; E106-F110 HydrophobicContact CB-CE1 4.29Å; E106-F110 HydrophobicContact CB-CG 4.33Å; E106-F110 HydrophobicContact CG-CD1 3.68Å; E106-F110 HydrophobicContact CG-CE1 3.82Å; E106-R111 HydrophobicContact CB-CG 4.1Å; E106-R111 PolarHBondContact O-NE 2.96Å; E106-R111 IonicContact OE2-CZ 2.72Å; E106-R111 IonicContact OE2-NE 2.65Å; E106-R111 IonicContact OE2-NH2 3.92Å; E106-R111 PolarHBondContact OE2-NH2 3.2Å; E106-L118 HydrophobicContact CG-CD1 4.14Å; E106-Y120 VanDerWaalsContact CD-OH 3.23Å; E106-Y120 PolarHBondContact OE1-OH 3.31Å; E106-Y120 PolarHBondContact OE2-OH 3.06Å; E106-Y120 VanDerWaalsContact OE2-OH 3.14Å
107S64.1Low69.9Low14 Ų1453.1 Ų53.110%0.09828%0.281CS..  trans-61.2150.5177.474.70000112E101 K109 F110 R111E101-S107 WeakPolarHBondContact OE1-CB 2.94Å; E101-S107 PolarHBondContact OE1-OG 3.24Å; E101-S107 WeakPolarHBondContact OE2-CB 3.38Å; E101-S107 PolarHBondContact OE2-N 2.74Å; E101-S107 PolarHBondContact OE2-OG 3.23Å; S107-K109 PolarHBondContact O-N 3.22Å; S107-F110 PolarHBondContact O-N 3.24Å; S107-F110 VanDerWaalsContact O-N 3.12Å; S107-F110 WeakPolarHBondContact OG-CB 3.34Å; S107-F110 PolarHBondContact OG-N 2.83Å; S107-F110 VanDerWaalsContact OG-N 3.12Å; S107-R111 PolarHBondContact O-N 3.32Å; S107-R111 VanDerWaalsContact O-N 3.07Å
108P60.2Low68.8Low115 Ų11554.5 Ų54.575%0.74729%0.288SS*.Hα-helixtrans-55.8-34.2173.8-26.234.6000112.8S112P108-S112 PolarHBondContact O-N 3.28Å
109K69Low67.5Low76 Ų7658.2 Ų58.233%0.3331%0.307SS..Hα-helixtrans-62.9-48.3176.6-179.475-175.8-147.90111.1D64 S107 S112 Y113D64-K109 IonicContact OD1-NZ 2.74Å; D64-K109 WeakPolarHBondContact OD2-CE 3.12Å; D64-K109 IonicContact OD2-NZ 2.81Å; D64-K109 PolarHBondContact OD2-NZ 2.89Å; S107-K109 PolarHBondContact O-N 3.22Å; K109-S112 WeakPolarHBondContact O-CB 3.39Å; K109-S112 PolarHBondContact O-N 3.19Å; K109-S112 PolarHBondContact O-OG 2.81Å; K109-Y113 WeakPolarHBondContact CE-OH 3.43Å
110F74.4Confident66.8Low0 Ų060.5 Ų60.50%032%0.316CS..Hα-helixtrans-61.4-46.5176.7-179.6-96.2000112.5F42 I50 H66 W68 E101 E106 S107 S112 Y113 F114 L118F42-F110 HydrophobicContact CE1-CZ 4.19Å; F42-F110 HydrophobicContact CE2-CE1 4.5Å; F42-F110 HydrophobicContact CE2-CZ 4.14Å; F42-F110 HydrophobicContact CZ-CE1 4.49Å; F42-F110 AromaticContact CZ-CZ 3.71Å; F42-F110 HydrophobicContact CZ-CZ 3.71Å; I50-F110 HydrophobicContact CB-CE2 4.43Å; I50-F110 HydrophobicContact CD1-CE2 3.67Å; I50-F110 HydrophobicContact CD1-CZ 4.27Å; I50-F110 HydrophobicContact CG1-CE2 3.84Å; H66-F110 HydrophobicContact CB-CD2 3.83Å; H66-F110 HydrophobicContact CB-CE2 4.2Å; H66-F110 AromaticContact CG-CD2 3.82Å; H66-F110 AromaticContact ND1-CD2 3.78Å; W68-F110 HydrophobicContact CB-CE2 4.38Å; W68-F110 HydrophobicContact CB-CZ 4.16Å; W68-F110 AromaticContact CD1-CE1 3.77Å; W68-F110 AromaticContact CD1-CZ 3.67Å; W68-F110 HydrophobicContact CG-CZ 4.09Å; E101-F110 HydrophobicContact CG-CB 4.13Å; E101-F110 HydrophobicContact CG-CD2 3.8Å; E101-F110 HydrophobicContact CG-CE2 4.33Å; E101-F110 HydrophobicContact CG-CG 3.96Å; E101-F110 WeakPolarHBondContact OE1-CB 3.22Å; E106-F110 HydrophobicContact CB-CB 4.4Å; E106-F110 HydrophobicContact CB-CD1 3.62Å; E106-F110 HydrophobicContact CB-CE1 4.29Å; E106-F110 HydrophobicContact CB-CG 4.33Å; E106-F110 HydrophobicContact CG-CD1 3.68Å; E106-F110 HydrophobicContact CG-CE1 3.82Å; S107-F110 PolarHBondContact O-N 3.24Å; S107-F110 VanDerWaalsContact O-N 3.12Å; S107-F110 WeakPolarHBondContact OG-CB 3.34Å; S107-F110 PolarHBondContact OG-N 2.83Å; S107-F110 VanDerWaalsContact OG-N 3.12Å; F110-S112 PolarHBondContact O-N 2.96Å; F110-Y113 HydrophobicContact CD2-CD2 4.5Å; F110-Y113 WeakPolarHBondContact O-CD2 3.22Å; F110-Y113 PolarHBondContact O-N 3.25Å; F110-F114 HydrophobicContact CD1-CE2 4.13Å; F110-F114 HydrophobicContact CD2-CE2 4.34Å; F110-F114 HydrophobicContact CE1-CD2 4.3Å; F110-F114 AromaticContact CE1-CE2 3.75Å; F110-F114 HydrophobicContact CE1-CE2 3.75Å; F110-F114 AromaticContact CE2-CE2 3.98Å; F110-F114 HydrophobicContact CE2-CE2 3.98Å; F110-F114 HydrophobicContact CE2-CZ 4.47Å; F110-F114 HydrophobicContact CG-CE2 4.43Å; F110-F114 AromaticContact CZ-CE2 3.68Å; F110-F114 HydrophobicContact CZ-CE2 3.68Å; F110-F114 HydrophobicContact CZ-CZ 4.25Å; F110-F114 WeakPolarHBondContact O-CD2 3.41Å; F110-L118 HydrophobicContact CD1-CD1 4.17Å; F110-L118 HydrophobicContact CE1-CD1 3.9Å; F110-L118 HydrophobicContact CE1-CD2 3.81Å
111R60.6Low65.5Low111 Ų11160.8 Ų60.842%0.41932%0.318SS..Hα-helixtrans-59.9-33.2178.7-67.9177.6178.3-178.61112.2G104 E106 S107 Y113 F114 L118G104-R111 PolarHBondContact O-NH2 3.1Å; G104-R111 VanDerWaalsContact O-NH2 3.16Å; E106-R111 HydrophobicContact CB-CG 4.1Å; E106-R111 PolarHBondContact O-NE 2.96Å; E106-R111 IonicContact OE2-CZ 2.72Å; E106-R111 IonicContact OE2-NE 2.65Å; E106-R111 IonicContact OE2-NH2 3.92Å; E106-R111 PolarHBondContact OE2-NH2 3.2Å; S107-R111 PolarHBondContact O-N 3.32Å; S107-R111 VanDerWaalsContact O-N 3.07Å; R111-Y113 PolarHBondContact O-N 3.49Å; R111-Y113 VanDerWaalsContact O-N 3.15Å; R111-F114 PolarHBondContact O-N 2.84Å; R111-F114 VanDerWaalsContact O-N 3.12Å; R111-L118 HydrophobicContact CG-CD1 4.19Å
112S65.2Low64.4Low69 Ų6968.7 Ų68.748%0.48335%0.352SS..Hα-helixtrans-61-23.3-18081.20000114.4P108 K109 F110 F114P108-S112 PolarHBondContact O-N 3.28Å; K109-S112 WeakPolarHBondContact O-CB 3.39Å; K109-S112 PolarHBondContact O-N 3.19Å; K109-S112 PolarHBondContact O-OG 2.81Å; F110-S112 PolarHBondContact O-N 2.96Å; S112-F114 VanDerWaalsContact C-N 3.29Å; S112-F114 PolarHBondContact O-N 2.81Å
113Y71.3Confident63.8Low39 Ų3969 Ų6915%0.15336%0.36CS..THydrogen-bonded Turntrans-73.1-23.5179.2-53.2-32.1000112.9L21 N52 H66 K109 F110 R111L21-Y113 HydrophobicContact CD1-CD2 3.99Å; L21-Y113 HydrophobicContact CD1-CG 4.12Å; N52-Y113 HydrophobicContact CB-CE1 4.21Å; N52-Y113 HydrophobicContact CB-CE2 4.26Å; H66-Y113 AromaticContact CD2-CE2 3.59Å; H66-Y113 AromaticContact CE1-CE2 3.84Å; H66-Y113 AromaticContact NE2-CE2 3.25Å; H66-Y113 WeakPolarHBondContact NE2-CE2 3.41Å; H66-Y113 AromaticContact NE2-CZ 3.43Å; H66-Y113 PolarHBondContact NE2-OH 2.87Å; K109-Y113 WeakPolarHBondContact CE-OH 3.43Å; F110-Y113 HydrophobicContact CD2-CD2 4.5Å; F110-Y113 WeakPolarHBondContact O-CD2 3.22Å; F110-Y113 PolarHBondContact O-N 3.25Å; R111-Y113 PolarHBondContact O-N 3.49Å; R111-Y113 VanDerWaalsContact O-N 3.15Å
114F69.6Low63.1Low17 Ų1768.3 Ų68.38%0.07536%0.358CS..  trans-113.376.5-173-50.8-76.6000109.7L21 I23 F39 G40 F42 F110 R111 S112 N116 G117 L118L21-F114 HydrophobicContact CD2-CE1 3.99Å; L21-F114 HydrophobicContact CD2-CZ 4.26Å; I23-F114 HydrophobicContact CD1-CE1 3.71Å; I23-F114 HydrophobicContact CD1-CZ 3.83Å; F39-F114 HydrophobicContact CB-CE1 4.45Å; G40-F114 VanDerWaalsContact CA-CD1 3.46Å; F42-F114 HydrophobicContact CE2-CE1 4.18Å; F42-F114 HydrophobicContact CE2-CE2 4.19Å; F42-F114 AromaticContact CE2-CZ 3.9Å; F42-F114 HydrophobicContact CE2-CZ 3.9Å; F42-F114 HydrophobicContact CZ-CE1 4.16Å; F42-F114 HydrophobicContact CZ-CE2 4.15Å; F42-F114 AromaticContact CZ-CZ 3.63Å; F42-F114 HydrophobicContact CZ-CZ 3.63Å; F110-F114 HydrophobicContact CD1-CE2 4.13Å; F110-F114 HydrophobicContact CD2-CE2 4.34Å; F110-F114 HydrophobicContact CE1-CD2 4.3Å; F110-F114 AromaticContact CE1-CE2 3.75Å; F110-F114 HydrophobicContact CE1-CE2 3.75Å; F110-F114 AromaticContact CE2-CE2 3.98Å; F110-F114 HydrophobicContact CE2-CE2 3.98Å; F110-F114 HydrophobicContact CE2-CZ 4.47Å; F110-F114 HydrophobicContact CG-CE2 4.43Å; F110-F114 AromaticContact CZ-CE2 3.68Å; F110-F114 HydrophobicContact CZ-CE2 3.68Å; F110-F114 HydrophobicContact CZ-CZ 4.25Å; F110-F114 WeakPolarHBondContact O-CD2 3.41Å; R111-F114 PolarHBondContact O-N 2.84Å; R111-F114 VanDerWaalsContact O-N 3.12Å; S112-F114 VanDerWaalsContact C-N 3.29Å; S112-F114 PolarHBondContact O-N 2.81Å; F114-N116 PolarHBondContact O-N 2.87Å; F114-G117 PolarHBondContact O-N 3.29Å; F114-L118 HydrophobicContact CB-CD2 4.16Å; F114-L118 HydrophobicContact CD2-CD2 3.4Å; F114-L118 VanDerWaalsContact CD2-CD2 3.4Å; F114-L118 HydrophobicContact CD2-CG 4.32Å; F114-L118 HydrophobicContact CE2-CD2 3.87Å; F114-L118 HydrophobicContact CG-CD2 3.77Å
115K45.8Very low62.8Low199 Ų19970.8 Ų70.887%0.86536%0.363SS*.THydrogen-bonded Turntrans-57.7-21.9-177.2-63.1-172.9179.8-175.40114.5
116N45.5Very low62Low169 Ų16968.4 Ų68.490%0.90437%0.366SS*.THydrogen-bonded Turntrans-93.49.2177.3-61.3-25.2000113F114F114-N116 PolarHBondContact O-N 2.87Å
117G46.3Very low60.8Low37 Ų3770.9 Ų70.938%0.38138%0.384SS..  trans85.9172.8-17500000114F114F114-G117 PolarHBondContact O-N 3.29Å
118L60Low59.8Low39 Ų3973.4 Ų73.420%0.20441%0.412CS..  trans-99.9137.5174-67.9168.2000109.4F42 E106 F110 R111 F114 Y120F42-L118 HydrophobicContact CD2-CD2 3.81Å; F42-L118 HydrophobicContact CE2-CD2 3.44Å; F42-L118 VanDerWaalsContact CE2-CD2 3.44Å; E106-L118 HydrophobicContact CG-CD1 4.14Å; F110-L118 HydrophobicContact CD1-CD1 4.17Å; F110-L118 HydrophobicContact CE1-CD1 3.9Å; F110-L118 HydrophobicContact CE1-CD2 3.81Å; R111-L118 HydrophobicContact CG-CD1 4.19Å; F114-L118 HydrophobicContact CB-CD2 4.16Å; F114-L118 HydrophobicContact CD2-CD2 3.4Å; F114-L118 VanDerWaalsContact CD2-CD2 3.4Å; F114-L118 HydrophobicContact CD2-CG 4.32Å; F114-L118 HydrophobicContact CE2-CD2 3.87Å; F114-L118 HydrophobicContact CG-CD2 3.77Å; L118-Y120 HydrophobicContact CB-CE1 4.09Å
119I61.9Low58.9Low88 Ų8874.8 Ų74.845%0.45141%0.406SS..EExtended strand (participates in β ladder)trans-116.3114.9176.4-59.4172.8000108.1G40 N41 F42 K121G40-I119 PolarHBondContact O-N 3.15Å; N41-I119 WeakPolarHBondContact CA-O 3.38Å; F42-I119 PolarHBondContact N-O 3Å; I119-K121 HydrophobicContact CG2-CG 4.29Å
120Y70.3Confident57.4Low63 Ų6378.3 Ų78.325%0.24743%0.429CS..EExtended strand (participates in β ladder)trans-88126173.2-51.2-44.7000110.3F42 W68 Q103 E106 L118F42-Y120 CarbonylContact O-C 3.5Å; F42-Y120 WeakPolarHBondContact O-CA 3.41Å; W68-Y120 HydrophobicContact CH2-CD1 4.46Å; W68-Y120 AromaticContact CZ2-CD1 3.87Å; W68-Y120 HydrophobicContact CZ2-CD1 3.87Å; W68-Y120 AromaticContact CZ2-CE1 3.82Å; W68-Y120 HydrophobicContact CZ2-CE1 3.82Å; Q103-Y120 HydrophobicContact CG-CD1 4.04Å; Q103-Y120 HydrophobicContact CG-CD2 4.21Å; Q103-Y120 HydrophobicContact CG-CE1 4.05Å; Q103-Y120 HydrophobicContact CG-CE2 4.2Å; Q103-Y120 HydrophobicContact CG-CG 4.16Å; E106-Y120 VanDerWaalsContact CD-OH 3.23Å; E106-Y120 PolarHBondContact OE1-OH 3.31Å; E106-Y120 PolarHBondContact OE2-OH 3.06Å; E106-Y120 VanDerWaalsContact OE2-OH 3.14Å; L118-Y120 HydrophobicContact CB-CE1 4.09Å
121K61Low55.7Low27 Ų2784.1 Ų84.112%0.11746%0.456CS..EExtended strand (participates in β ladder)trans-111130179.4-65-171.3174.9-175.80109.5N41 F42 F43 E44 I119 H131N41-K121 HydrophobicContact CB-CD 4.26Å; N41-K121 WeakPolarHBondContact OD1-CE 3.44Å; N41-K121 PolarHBondContact OD1-NZ 2.83Å; F42-K121 PolarHBondContact O-N 3.42Å; F43-K121 CarbonylContact C-O 3.54Å; F43-K121 VanDerWaalsContact CA-O 3.27Å; F43-K121 WeakPolarHBondContact CA-O 3.33Å; F43-K121 HydrophobicContact CD1-CB 3.52Å; F43-K121 HydrophobicContact CE1-CB 3.59Å; F43-K121 HydrophobicContact CE1-CD 4.16Å; F43-K121 HydrophobicContact CE1-CG 4.5Å; F43-K121 HydrophobicContact CG-CB 4.35Å; F43-K121 HydrophobicContact CZ-CB 4.45Å; F43-K121 HydrophobicContact CZ-CD 4.26Å; E44-K121 WeakPolarHBondContact CG-O 3.06Å; E44-K121 PolarHBondContact N-O 2.84Å; I119-K121 HydrophobicContact CG2-CG 4.29Å; K121-H131 PolarHBondContact NZ-CE1 3.37Å
122K62.2Low54.4Low167 Ų16783.7 Ų83.773%0.72647%0.465SS*.SBendtrans-65.8149.2174.9-67.8-143.1172.8-173.30111.5
123G67.9Low53Low29 Ų2987.2 Ų87.230%0.29948%0.479SS..SBendtrans93.6-165.2-178.800000112.9F43 G45F43-G123 WeakPolarHBondContact CB-O 3.45Å; G45-G123 VanDerWaalsContact CA-O 3.3Å; G45-G123 WeakPolarHBondContact CA-O 3.35Å; G45-G123 PolarHBondContact N-O 3.12Å
124G63Low51.4Low6 Ų689.7 Ų89.76%0.06250%0.498CS..  trans-157.7165.717700000110.9D46 A126 S127D46-G124 WeakPolarHBondContact OD1-CA 3.41Å; G124-A126 PolarHBondContact O-N 3.17Å; G124-A126 VanDerWaalsContact O-N 3.15Å; G124-S127 PolarHBondContact N-OG 2.85Å; G124-S127 VanDerWaalsContact N-OG 3.15Å; G124-S127 PolarHBondContact O-N 3.43Å; G124-S127 PolarHBondContact O-OG 3.35Å
125L59.2Low49.9Very low89 Ų8995.7 Ų95.747%0.46653%0.531SS..G310 helixtrans-59.9-26.4179.7-83.7156.9000112.9T25 D46T25-L125 HydrophobicContact CG2-CD1 3.35Å; D46-L125 PolarHBondContact OD1-N 3.44Å; D46-L125 VanDerWaalsContact OD1-N 3.08Å; D46-L125 PolarHBondContact OD2-N 3.37Å
126A50.9Low49.9Very low75 Ų7590.8 Ų90.862%0.6252%0.518SS*.G310 helixtrans-72.9-24.3175.500000114G124G124-A126 PolarHBondContact O-N 3.17Å; G124-A126 VanDerWaalsContact O-N 3.15Å
127S48.7Very low50.1Low60 Ų6087.1 Ų87.142%0.4249%0.492SS..G310 helixtrans-88.12.2-177.662.90000114.3G124 F129G124-S127 PolarHBondContact N-OG 2.85Å; G124-S127 VanDerWaalsContact N-OG 3.15Å; G124-S127 PolarHBondContact O-N 3.43Å; G124-S127 PolarHBondContact O-OG 3.35Å; S127-F129 VanDerWaalsContact C-N 3.32Å; S127-F129 VanDerWaalsContact O-CD2 3.26Å; S127-F129 WeakPolarHBondContact O-CD2 3.42Å; S127-F129 PolarHBondContact O-N 3.15Å; S127-F129 WeakPolarHBondContact OG-CD2 3.49Å
128G42.4Very low50.6Low66 Ų6692.6 Ų92.668%0.6851%0.512SS*.THydrogen-bonded Turntrans73.414.4170.600000115.7N130G128-N130 PolarHBondContact O-N 3.06Å
129F41.9Very low50.7Low144 Ų14493.6 Ų93.663%0.63252%0.517SS*.  trans-81.9110.6-179.7-76.9-91.3000111.8S127S127-F129 VanDerWaalsContact C-N 3.32Å; S127-F129 VanDerWaalsContact O-CD2 3.26Å; S127-F129 WeakPolarHBondContact O-CD2 3.42Å; S127-F129 PolarHBondContact O-N 3.15Å; S127-F129 WeakPolarHBondContact OG-CD2 3.49Å
130N37.5Very low51.6Low151 Ų15193.4 Ų93.481%0.80752%0.52SS*.  trans-70.1156.2162.5-86.4-30.3000110.9G128 V132G128-N130 PolarHBondContact O-N 3.06Å; N130-V132 PolarHBondContact O-N 3.35Å; N130-V132 VanDerWaalsContact O-N 3.07Å
131H37.8Very low52Low121 Ų12192.5 Ų92.556%0.5652%0.516SS*.  trans-36.2110.5178.9-97.19.5000113.3K121K121-H131 PolarHBondContact NZ-CE1 3.37Å
132V33.3Very low53.1Low102 Ų10291.2 Ų91.262%0.61851%0.511SS*.  trans-112.5108.9155.3-174.40000105.8N130 T134N130-V132 PolarHBondContact O-N 3.35Å; N130-V132 VanDerWaalsContact O-N 3.07Å; V132-T134 HydrophobicContact CG1-CG2 4.28Å; V132-T134 PolarHBondContact O-N 3.15Å
133D37.5Very low53.4Low143 Ų14384 Ų8477%0.76548%0.48SS*.  trans-60.7103168.5-78.2-41.7000108
134T37.4Very low54.2Low92 Ų9284.3 Ų84.356%0.56447%0.473SS*.  trans-108.3108.3167.531.80000107.1V132 V136V132-T134 HydrophobicContact CG1-CG2 4.28Å; V132-T134 PolarHBondContact O-N 3.15Å; T134-V136 PolarHBondContact O-N 2.68Å
135N38.3Very low54.8Low143 Ų14384 Ų8477%0.76547%0.47SS*.  trans-58.1103.5166-78.1-37.6000108.3Y137N135-Y137 HydrophobicContact CB-CD2 4.22Å; N135-Y137 HydrophobicContact CB-CE2 4.32Å; N135-Y137 PolarHBondContact O-N 2.79Å
136V45.1Very low55.5Low96 Ų9680.1 Ų80.158%0.58245%0.45SS*.  trans-90.291.9174.6-172.90000108.9T134T134-V136 PolarHBondContact O-N 2.68Å
137Y50.1Low55.7Low92 Ų9276.5 Ų76.536%0.36142%0.42SS..  trans-104.613.3162.2-69.2-76.2000112.3N135 I139 K175N135-Y137 HydrophobicContact CB-CD2 4.22Å; N135-Y137 HydrophobicContact CB-CE2 4.32Å; N135-Y137 PolarHBondContact O-N 2.79Å; Y137-I139 VanDerWaalsContact C-N 3.34Å; Y137-I139 PolarHBondContact O-N 3.29Å; Y137-I139 VanDerWaalsContact O-N 3.15Å; Y137-K175 HydrophobicContact CD1-CG 3.85Å; Y137-K175 HydrophobicContact CE1-CG 4.49Å; Y137-K175 HydrophobicContact CG-CD 4.49Å; Y137-K175 HydrophobicContact CG-CG 4.05Å
138N55.8Low55.9Low152 Ų15281.3 Ų81.381%0.81343%0.429SS*.  trans-91.566.6-177.5-68.7-1.4000111.1
139I63.6Low55.9Low60 Ų6083.9 Ų83.931%0.30842%0.421SS..  trans-98.1128.2166.8-64.4170.9000106.7Y137 R141 D172 L173 G174Y137-I139 VanDerWaalsContact C-N 3.34Å; Y137-I139 PolarHBondContact O-N 3.29Å; Y137-I139 VanDerWaalsContact O-N 3.15Å; I139-R141 HydrophobicContact CG2-CG 4.12Å; I139-D172 CarbonylContact C-O 3.58Å; I139-L173 CarbonylContact O-C 3.48Å; I139-L173 WeakPolarHBondContact O-CA 3.45Å; I139-G174 PolarHBondContact O-N 2.79Å
140V80.4Confident55.8Low84 Ų8482.9 Ų82.951%0.50942%0.418SS..  trans-134.8107.1169.8-1800000107V158 D172 L173 V232V140-V158 HydrophobicContact CG1-CG1 4.01Å; V140-D172 VanDerWaalsContact CA-O 3.24Å; V140-D172 WeakPolarHBondContact CA-O 3.45Å; V140-L173 HydrophobicContact CG1-CD2 4.16Å; V140-L173 HydrophobicContact CG2-CD2 4.29Å; V140-V232 HydrophobicContact CG1-CG1 3.66Å
141R78.3Confident56.2Low44 Ų4476.8 Ų76.817%0.16639%0.386CS..EExtended strand (participates in β ladder)trans-145.3157.4176.564.2179.5176.7-178-1.3111.1I139 E155 D172 E204I139-R141 HydrophobicContact CG2-CG 4.12Å; R141-E155 HydrophobicContact CB-CG 4.49Å; R141-E155 WeakPolarHBondContact CB-OE1 3.27Å; R141-D172 HydrophobicContact CG-CB 3.77Å; R141-D172 IonicContact CZ-OD2 3.7Å; R141-D172 VanDerWaalsContact CZ-OD2 3.24Å; R141-D172 PolarHBondContact N-O 2.86Å; R141-D172 IonicContact NE-OD2 3.06Å; R141-D172 PolarHBondContact NE-OD2 2.85Å; R141-D172 IonicContact NH2-OD2 3.8Å; R141-D172 PolarHBondContact NH2-OD2 2.81Å; R141-D172 PolarHBondContact O-N 2.95Å; R141-E204 IonicContact CZ-OE2 2.85Å; R141-E204 IonicContact NH1-OE1 2.8Å; R141-E204 IonicContact NH1-OE2 3.7Å; R141-E204 IonicContact NH2-OE1 2.73Å; R141-E204 PolarHBondContact NH2-OE1 3.31Å; R141-E204 IonicContact NH2-OE2 3.04Å; R141-E204 PolarHBondContact NH2-OE2 3.31Å
142L83.2Confident56.6Low0 Ų072.3 Ų72.30%037%0.369CS..EExtended strand (participates in β ladder)trans-123125.3179.2-175.867.3000109E155 V156 E157 V158 F163 F169 I170 L171L142-E155 WeakPolarHBondContact O-CA 3.28Å; L142-V156 HydrophobicContact CB-CG2 4.16Å; L142-V156 HydrophobicContact CD2-CG2 3.82Å; L142-V156 HydrophobicContact CG-CG2 3.79Å; L142-V156 PolarHBondContact O-N 3.15Å; L142-E157 WeakPolarHBondContact CD2-O 3.15Å; L142-V158 HydrophobicContact CB-CB 4.36Å; L142-V158 HydrophobicContact CB-CG1 4.48Å; L142-V158 HydrophobicContact CB-CG2 3.96Å; L142-F163 HydrophobicContact CD1-CE2 3.95Å; L142-F163 HydrophobicContact CD1-CZ 3.71Å; L142-F163 HydrophobicContact CD2-CD2 4.04Å; L142-F163 HydrophobicContact CD2-CE2 3.4Å; L142-F163 VanDerWaalsContact CD2-CE2 3.4Å; L142-F163 HydrophobicContact CD2-CZ 4.04Å; L142-F163 HydrophobicContact CG-CE2 4.35Å; L142-F169 HydrophobicContact CD1-CB 4.09Å; L142-F169 HydrophobicContact CD1-CD1 4.5Å; L142-F169 HydrophobicContact CD2-CD1 4.39Å; L142-F169 HydrophobicContact CG-CD1 4.39Å; L142-I170 CarbonylContact C-O 3.58Å; L142-I170 WeakPolarHBondContact CA-O 3.25Å; L142-L171 HydrophobicContact CD1-CB 4.02Å; L142-L171 HydrophobicContact CD1-CD1 4.24Å
143L69.8Low57.6Low16 Ų1669.5 Ų69.58%0.08436%0.357CS..EExtended strand (participates in β ladder)trans-105.8133.2174.4-51.6174.6000109.2A154 E155 F169 I170 L196 I200L143-A154 CarbonylContact C-O 3Å; L143-A154 WeakPolarHBondContact CA-O 3.37Å; L143-E155 HydrophobicContact CD2-CB 3.93Å; L143-E155 HydrophobicContact CD2-CG 4.24Å; L143-F169 CarbonylContact O-C 3.53Å; L143-F169 WeakPolarHBondContact O-CA 3.11Å; L143-I170 HydrophobicContact CB-CB 4.13Å; L143-I170 HydrophobicContact CD1-CB 4.38Å; L143-I170 HydrophobicContact CD1-CD1 4.49Å; L143-I170 PolarHBondContact N-O 2.87Å; L143-I170 PolarHBondContact O-N 3.03Å; L143-L196 HydrophobicContact CD1-CD2 4.14Å; L143-I200 HydrophobicContact CD1-CD1 3.75Å
144H84.3Confident58.4Low34 Ų3464.6 Ų64.616%0.15734%0.336CS..EExtended strand (participates in β ladder)trans-98.6118172178.7-158.4000108.9A153 A154 V156 D167 F169H144-A153 CarbonylContact O-C 3.54Å; H144-A153 VanDerWaalsContact O-CA 3.28Å; H144-A153 WeakPolarHBondContact O-CA 3.38Å; H144-A154 PolarHBondContact N-O 3.12Å; H144-A154 PolarHBondContact O-N 3.47Å; H144-V156 HydrophobicContact CB-CB 4.38Å; H144-V156 HydrophobicContact CB-CG1 3.58Å; H144-V156 HydrophobicContact CB-CG2 3.85Å; H144-D167 IonicContact CD2-OD2 3.35Å; H144-D167 IonicContact CE1-OD2 2.78Å; H144-D167 PolarHBondContact CE1-OD2 2.88Å; H144-D167 WeakPolarHBondContact NE2-CB 3.28Å; H144-D167 IonicContact NE2-OD2 3.47Å; H144-D167 PolarHBondContact NE2-OD2 2.97Å; H144-F169 HydrophobicContact CB-CD1 3.95Å; H144-F169 HydrophobicContact CB-CE1 3.64Å; H144-F169 HydrophobicContact CB-CZ 4.49Å; H144-F169 AromaticContact CD2-CE1 3.33Å; H144-F169 WeakPolarHBondContact CD2-CE1 3.35Å; H144-F169 AromaticContact CD2-CZ 3.3Å; H144-F169 WeakPolarHBondContact CD2-CZ 3.06Å; H144-F169 AromaticContact CG-CE1 3.5Å; H144-F169 VanDerWaalsContact CG-CE1 3.5Å; H144-F169 AromaticContact CG-CZ 3.9Å; H144-F169 AromaticContact NE2-CZ 3.69Å
145V76.4Confident59.6Low0 Ų066.2 Ų66.20%034%0.337CS..EExtended strand (participates in β ladder)trans-106.2113-178.8-175.80000108.9V151 S152 A153 V168 I170 K192 A193V145-V151 HydrophobicContact CG1-CG1 3.36Å; V145-S152 VanDerWaalsContact CA-O 3.31Å; V145-S152 WeakPolarHBondContact CA-O 3.3Å; V145-A153 HydrophobicContact CG2-CB 3.95Å; V145-V168 WeakPolarHBondContact CA-O 2.98Å; V145-V168 HydrophobicContact CB-CB 4.12Å; V145-V168 WeakPolarHBondContact CB-O 3.14Å; V145-V168 PolarHBondContact N-O 2.86Å; V145-V168 PolarHBondContact O-N 3.25Å; V145-V168 VanDerWaalsContact O-N 3.11Å; V145-I170 HydrophobicContact CG2-CD1 4Å; V145-I170 HydrophobicContact CG2-CG1 4.12Å; V145-K192 HydrophobicContact CG1-CB 4.49Å; V145-K192 HydrophobicContact CG1-CG 4.48Å; V145-A193 HydrophobicContact CB-CB 4.38Å; V145-A193 HydrophobicContact CG1-CB 4.18Å; V145-A193 HydrophobicContact CG2-CB 4.11Å
146K72.4Confident61.2Low7 Ų761.2 Ų61.23%0.0331%0.312CS..EExtended strand (participates in β ladder)trans-141.6145.5-173.3-175.7172.7-16956.10112V151 S152 D167 V244 D246 H249K146-V151 WeakPolarHBondContact O-CA 3.42Å; K146-S152 PolarHBondContact N-O 2.71Å; K146-S152 PolarHBondContact O-N 3Å; K146-S152 PolarHBondContact O-OG 3.1Å; K146-D167 VanDerWaalsContact CD-OD2 3.3Å; K146-D167 WeakPolarHBondContact CD-OD2 3.43Å; K146-D167 VanDerWaalsContact NZ-CG 3.32Å; K146-D167 IonicContact NZ-OD1 2.82Å; K146-D167 PolarHBondContact NZ-OD1 3.33Å; K146-D167 IonicContact NZ-OD2 3.7Å; K146-D167 PolarHBondContact NZ-OD2 3.43Å; K146-D167 VanDerWaalsContact NZ-OD2 3.09Å; K146-V244 WeakPolarHBondContact CE-O 3.49Å; K146-V244 PolarHBondContact NZ-O 3.19Å; K146-D246 VanDerWaalsContact CE-OD1 3.25Å; K146-D246 WeakPolarHBondContact CE-OD1 3.26Å; K146-D246 IonicContact NZ-OD1 3.53Å; K146-D246 PolarHBondContact NZ-OD1 3.07Å; K146-H249 HydrophobicContact CD-CB 4.38Å
147G56.6Low62.8Low0 Ų063 Ų630%031%0.314CS..  trans140.1161.316600000113.2V151 N186 E189G147-V151 WeakPolarHBondContact O-CG2 3.41Å; G147-N186 PolarHBondContact O-ND2 2.83Å; G147-E189 PolarHBondContact N-OE1 3.19Å; G147-E189 WeakPolarHBondContact O-CG 3.41Å
148R52.2Low64.5Low161 Ų16161 Ų6161%0.60831%0.311SS*.SBendtrans-108-50-174.5-165.1173.9-179.8178.40.8114.1R188 D246R148-R188 VanDerWaalsContact O-CD 3.23Å; R148-R188 WeakPolarHBondContact O-CD 3.27Å; R148-R188 PolarHBondContact O-NH1 3.04Å; R148-D246 HydrophobicContact CB-CB 4.28Å
149K41.8Very low66Low120 Ų12054.8 Ų54.852%0.52228%0.279SS..SBendtrans-96-38.4171.6-71.2-171-178.9-171.60111.2Q631K149-Q631 PolarHBondContact NZ-O 2.75Å
150H39.4Very low67.2Low122 Ų12252.6 Ų52.657%0.56527%0.267SS*.SBendtrans-120.394.9176.4-63.4-69.6000110.8S152H150-S152 PolarHBondContact O-N 3.03Å
151V45.9Very low67.5Low23 Ų2353.3 Ų53.314%0.13927%0.268CS..  trans-74.6117.8175.9-171.60000109.5V145 K146 G147 R188 E189 K192V145-V151 HydrophobicContact CG1-CG1 3.36Å; K146-V151 WeakPolarHBondContact O-CA 3.42Å; G147-V151 WeakPolarHBondContact O-CG2 3.41Å; V151-R188 HydrophobicContact CG2-CB 3.95Å; V151-E189 HydrophobicContact CG1-CB 4.43Å; V151-E189 HydrophobicContact CG1-CG 4Å; V151-E189 HydrophobicContact CG2-CG 4.19Å; V151-K192 HydrophobicContact CB-CB 3.8Å; V151-K192 HydrophobicContact CB-CG 3.78Å; V151-K192 HydrophobicContact CG1-CB 3.61Å; V151-K192 HydrophobicContact CG1-CG 3.64Å; V151-K192 HydrophobicContact CG2-CB 4.32Å; V151-K192 WeakPolarHBondContact O-CE 3.25Å
152S46.4Very low67.9Low27 Ų2752.4 Ų52.419%0.18927%0.268CS..EExtended strand (participates in β ladder)trans-108.7159.7175.664.90000110.5V145 K146 H150 H249 Q253V145-S152 VanDerWaalsContact CA-O 3.31Å; V145-S152 WeakPolarHBondContact CA-O 3.3Å; K146-S152 PolarHBondContact N-O 2.71Å; K146-S152 PolarHBondContact O-N 3Å; K146-S152 PolarHBondContact O-OG 3.1Å; H150-S152 PolarHBondContact O-N 3.03Å; S152-H249 PolarHBondContact OG-NE2 3.17Å; S152-H249 VanDerWaalsContact OG-NE2 3.11Å; S152-Q253 PolarHBondContact OG-OE1 3.34Å
153A55.8Low68.3Low44 Ų4452.4 Ų52.436%0.36427%0.268SS..EExtended strand (participates in β ladder)trans-127.4128.3173.200000109H144 V145 L196H144-A153 CarbonylContact O-C 3.54Å; H144-A153 VanDerWaalsContact O-CA 3.28Å; H144-A153 WeakPolarHBondContact O-CA 3.38Å; V145-A153 HydrophobicContact CG2-CB 3.95Å; A153-L196 HydrophobicContact CB-CD2 3.21Å
154A52.6Low69.3Low39 Ų3952.2 Ų52.232%0.32227%0.267SS..EExtended strand (participates in β ladder)trans-127.1144.4178.500000110.2L143 H144L143-A154 CarbonylContact C-O 3Å; L143-A154 WeakPolarHBondContact CA-O 3.37Å; H144-A154 PolarHBondContact N-O 3.12Å; H144-A154 PolarHBondContact O-N 3.47Å
155E63Low69.6Low127 Ų12751.4 Ų51.459%0.59327%0.266SS*.EExtended strand (participates in β ladder)trans-73.2133.6173.8-167.1169.8168.500110.1R141 L142 L143R141-E155 HydrophobicContact CB-CG 4.49Å; R141-E155 WeakPolarHBondContact CB-OE1 3.27Å; L142-E155 WeakPolarHBondContact O-CA 3.28Å; L143-E155 HydrophobicContact CD2-CB 3.93Å; L143-E155 HydrophobicContact CD2-CG 4.24Å
156V71.9Confident70.1Confident38 Ų3851.8 Ų51.823%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-129.8167.1-177.8-66.80000110.2L142 H144 V158L142-V156 HydrophobicContact CB-CG2 4.16Å; L142-V156 HydrophobicContact CD2-CG2 3.82Å; L142-V156 HydrophobicContact CG-CG2 3.79Å; L142-V156 PolarHBondContact O-N 3.15Å; H144-V156 HydrophobicContact CB-CB 4.38Å; H144-V156 HydrophobicContact CB-CG1 3.58Å; H144-V156 HydrophobicContact CB-CG2 3.85Å; V156-V158 PolarHBondContact O-N 2.77Å
157E78.4Confident71Confident134 Ų13451.5 Ų51.563%0.62627%0.268SS*.  trans-55.3130.1176.5-173.4-171.6168.800110.7L142 S159 S162L142-E157 WeakPolarHBondContact CD2-O 3.15Å; E157-S159 PolarHBondContact O-N 2.95Å; E157-S162 WeakPolarHBondContact O-CB 3.38Å; E157-S162 PolarHBondContact O-OG 3.24Å
158V86Confident72.8Confident49 Ų4951.5 Ų51.530%0.29727%0.268SS..SBendtrans-73.873.7179.7-1720000110V140 L142 V156 L171 V232 L233V140-V158 HydrophobicContact CG1-CG1 4.01Å; L142-V158 HydrophobicContact CB-CB 4.36Å; L142-V158 HydrophobicContact CB-CG1 4.48Å; L142-V158 HydrophobicContact CB-CG2 3.96Å; V156-V158 PolarHBondContact O-N 2.77Å; V158-L171 HydrophobicContact CG1-CD1 3.92Å; V158-V232 HydrophobicContact CG1-CG1 4.07Å; V158-L233 HydrophobicContact CG1-CD2 3.6Å
159S87.4Confident74.8Confident21 Ų2143.9 Ų43.915%0.14724%0.239CC..SBendtrans-155.3148.8-173.2175.80000110.6E157 N161 S162 F163E157-S159 PolarHBondContact O-N 2.95Å; S159-N161 PolarHBondContact O-N 3.13Å; S159-N161 VanDerWaalsContact O-N 3.07Å; S159-N161 PolarHBondContact OG-N 3.03Å; S159-S162 WeakPolarHBondContact O-CB 3.06Å; S159-S162 PolarHBondContact O-N 2.83Å; S159-F163 WeakPolarHBondContact O-CD2 3.32Å
160W89.9Confident77.2Confident14 Ų1438.1 Ų38.15%0.05322%0.215CC..G310 helixtrans-56.8-20.9170.5-76.3115.4000113.2S162 F163 M229 L233 G234 R236 P237 L240W160-S162 PolarHBondContact O-N 2.88Å; W160-F163 HydrophobicContact CD2-CD2 4.49Å; W160-F163 HydrophobicContact CE3-CB 4.07Å; W160-F163 HydrophobicContact CE3-CD1 4.07Å; W160-F163 AromaticContact CE3-CD2 3.76Å; W160-F163 HydrophobicContact CE3-CD2 3.76Å; W160-F163 HydrophobicContact CE3-CE1 4.44Å; W160-F163 HydrophobicContact CE3-CE2 4.14Å; W160-F163 AromaticContact CE3-CG 3.71Å; W160-F163 HydrophobicContact CE3-CG 3.71Å; W160-F163 HydrophobicContact CE3-CZ 4.47Å; W160-F163 HydrophobicContact CZ3-CB 4.48Å; W160-F163 AromaticContact CZ3-CD1 3.77Å; W160-F163 HydrophobicContact CZ3-CD1 3.77Å; W160-F163 HydrophobicContact CZ3-CD2 4.21Å; W160-F163 AromaticContact CZ3-CE1 3.93Å; W160-F163 HydrophobicContact CZ3-CE1 3.93Å; W160-F163 HydrophobicContact CZ3-CE2 4.35Å; W160-F163 AromaticContact CZ3-CG 3.91Å; W160-F163 HydrophobicContact CZ3-CG 3.91Å; W160-F163 HydrophobicContact CZ3-CZ 4.22Å; W160-F163 PolarHBondContact O-N 3.02Å; W160-M229 HydrophobicContact CH2-CE 3.84Å; W160-M229 HydrophobicContact CZ2-CE 4.36Å; W160-L233 HydrophobicContact CD2-CB 4.48Å; W160-L233 HydrophobicContact CD2-CD1 4.38Å; W160-L233 HydrophobicContact CG-CB 4.33Å; W160-L233 HydrophobicContact CH2-CD1 4.4Å; W160-L233 HydrophobicContact CZ2-CD1 4.04Å; W160-G234 PolarHBondContact NE1-O 2.81Å; W160-R236 HydrophobicContact CH2-CG 4.43Å; W160-R236 VanDerWaalsContact CH2-NH1 3.35Å; W160-R236 HydrophobicContact CZ2-CB 4.22Å; W160-R236 HydrophobicContact CZ2-CG 4.26Å; W160-P237 HydrophobicContact CB-CG 4.01Å; W160-P237 HydrophobicContact CG-CG 4.42Å; W160-L240 HydrophobicContact CE3-CD2 4.12Å
161N86.7Confident79.8Confident100 Ų10032.4 Ų32.454%0.53519%0.188SC..G310 helixtrans-64.3-22.6174.4-70.3-22.5000113.3S159 K241S159-N161 PolarHBondContact O-N 3.13Å; S159-N161 VanDerWaalsContact O-N 3.07Å; S159-N161 PolarHBondContact OG-N 3.03Å; N161-K241 WeakPolarHBondContact O-CD 3.08Å; N161-K241 WeakPolarHBondContact O-CE 2.9Å; N161-K241 PolarHBondContact O-NZ 3.38Å
162S86.1Confident81.7Confident24 Ų2431.3 Ų31.317%0.16818%0.181CC..G310 helixtrans-81.6-22.7177-60.10000112.6E157 S159 W160 F169E157-S162 WeakPolarHBondContact O-CB 3.38Å; E157-S162 PolarHBondContact O-OG 3.24Å; S159-S162 WeakPolarHBondContact O-CB 3.06Å; S159-S162 PolarHBondContact O-N 2.83Å; W160-S162 PolarHBondContact O-N 2.88Å; S162-F169 VanDerWaalsContact O-CE1 3.26Å; S162-F169 WeakPolarHBondContact O-CE1 3.31Å; S162-F169 VanDerWaalsContact O-CZ 3.22Å; S162-F169 WeakPolarHBondContact O-CZ 3.26Å
163F91.6Very high83.6Confident1 Ų131.4 Ų31.40%0.00418%0.18CC..  trans-74.5146.3-176.4-73.7-107.7000112L142 S159 W160 F169 W180 M229 L233 L240L142-F163 HydrophobicContact CD1-CE2 3.95Å; L142-F163 HydrophobicContact CD1-CZ 3.71Å; L142-F163 HydrophobicContact CD2-CD2 4.04Å; L142-F163 HydrophobicContact CD2-CE2 3.4Å; L142-F163 VanDerWaalsContact CD2-CE2 3.4Å; L142-F163 HydrophobicContact CD2-CZ 4.04Å; L142-F163 HydrophobicContact CG-CE2 4.35Å; S159-F163 WeakPolarHBondContact O-CD2 3.32Å; W160-F163 HydrophobicContact CD2-CD2 4.49Å; W160-F163 HydrophobicContact CE3-CB 4.07Å; W160-F163 HydrophobicContact CE3-CD1 4.07Å; W160-F163 AromaticContact CE3-CD2 3.76Å; W160-F163 HydrophobicContact CE3-CD2 3.76Å; W160-F163 HydrophobicContact CE3-CE1 4.44Å; W160-F163 HydrophobicContact CE3-CE2 4.14Å; W160-F163 AromaticContact CE3-CG 3.71Å; W160-F163 HydrophobicContact CE3-CG 3.71Å; W160-F163 HydrophobicContact CE3-CZ 4.47Å; W160-F163 HydrophobicContact CZ3-CB 4.48Å; W160-F163 AromaticContact CZ3-CD1 3.77Å; W160-F163 HydrophobicContact CZ3-CD1 3.77Å; W160-F163 HydrophobicContact CZ3-CD2 4.21Å; W160-F163 AromaticContact CZ3-CE1 3.93Å; W160-F163 HydrophobicContact CZ3-CE1 3.93Å; W160-F163 HydrophobicContact CZ3-CE2 4.35Å; W160-F163 AromaticContact CZ3-CG 3.91Å; W160-F163 HydrophobicContact CZ3-CG 3.91Å; W160-F163 HydrophobicContact CZ3-CZ 4.22Å; W160-F163 PolarHBondContact O-N 3.02Å; F163-F169 HydrophobicContact CB-CE2 4.42Å; F163-F169 HydrophobicContact CD1-CB 4.16Å; F163-F169 HydrophobicContact CD1-CD1 4.42Å; F163-F169 AromaticContact CD1-CD2 3.68Å; F163-F169 HydrophobicContact CD1-CD2 3.68Å; F163-F169 HydrophobicContact CD1-CE2 4.2Å; F163-F169 AromaticContact CD1-CG 3.82Å; F163-F169 HydrophobicContact CD1-CG 3.82Å; F163-F169 HydrophobicContact CE1-CB 3.65Å; F163-F169 HydrophobicContact CE1-CD2 4.07Å; F163-F169 AromaticContact CE1-CG 3.82Å; F163-F169 HydrophobicContact CE1-CG 3.82Å; F163-F169 HydrophobicContact CG-CD2 4.3Å; F163-F169 HydrophobicContact CG-CE2 4.45Å; F163-F169 HydrophobicContact CG-CG 4.35Å; F163-F169 HydrophobicContact CZ-CB 4.09Å; F163-F169 HydrophobicContact CZ-CG 4.37Å; F163-W180 AromaticContact CD1-CD2 3.86Å; F163-W180 HydrophobicContact CD1-CD2 3.86Å; F163-W180 AromaticContact CD1-CE3 3.52Å; F163-W180 HydrophobicContact CD1-CE3 3.52Å; F163-W180 HydrophobicContact CD1-CG 4.48Å; F163-W180 HydrophobicContact CD1-CH2 4.34Å; F163-W180 AromaticContact CD1-CZ3 3.77Å; F163-W180 HydrophobicContact CD1-CZ3 3.77Å; F163-W180 HydrophobicContact CE1-CB 4.04Å; F163-W180 AromaticContact CE1-CD2 3.75Å; F163-W180 HydrophobicContact CE1-CD2 3.75Å; F163-W180 AromaticContact CE1-CE3 3.73Å; F163-W180 HydrophobicContact CE1-CE3 3.73Å; F163-W180 AromaticContact CE1-CG 3.89Å; F163-W180 HydrophobicContact CE1-CG 3.89Å; F163-W180 HydrophobicContact CE1-CZ3 4.44Å; F163-M229 HydrophobicContact CE1-CE 4.1Å; F163-M229 HydrophobicContact CZ-CE 3.95Å; F163-L233 HydrophobicContact CE2-CD1 3.72Å; F163-L233 HydrophobicContact CE2-CD2 4.31Å; F163-L233 HydrophobicContact CZ-CD1 3.75Å; F163-L240 HydrophobicContact CB-CD2 3.83Å
164N90.6Very high84.6Confident11 Ų1129.4 Ų29.46%0.05916%0.163CC..BIsolated β-bridgetrans-138.2165.4170.170.268.7000110.1G166 D167 K241N164-G166 VanDerWaalsContact C-N 3.32Å; N164-G166 PolarHBondContact O-N 2.93Å; N164-G166 PolarHBondContact OD1-N 2.99Å; N164-D167 PolarHBondContact ND2-OD2 2.96Å; N164-D167 WeakPolarHBondContact OD1-CB 3.31Å; N164-D167 VanDerWaalsContact OD1-CG 3.31Å; N164-D167 PolarHBondContact OD1-N 2.95Å; N164-D167 PolarHBondContact OD1-OD2 3.01Å; N164-K241 VanDerWaalsContact CA-O 3.28Å; N164-K241 WeakPolarHBondContact CA-O 3.27Å; N164-K241 HydrophobicContact CB-CB 4.06Å; N164-K241 WeakPolarHBondContact CB-O 3.34Å
165S89.6Confident86Confident18 Ų1833.5 Ų33.513%0.12617%0.174CC..THydrogen-bonded Turntrans-75.3-15.6-175.460.10000114.8G182 P183 E184 K241 P243S165-G182 CarbonylContact O-C 3.57Å; S165-G182 VanDerWaalsContact O-C 3.23Å; S165-G182 WeakPolarHBondContact O-CA 3.45Å; S165-P183 WeakPolarHBondContact O-CD 3.31Å; S165-P183 VanDerWaalsContact O-N 3.13Å; S165-E184 WeakPolarHBondContact CB-OE1 3.32Å; S165-E184 WeakPolarHBondContact O-CB 3.35Å; S165-E184 PolarHBondContact O-N 2.88Å; S165-E184 PolarHBondContact OG-OE1 3.05Å; S165-K241 PolarHBondContact N-O 2.85Å; S165-K241 VanDerWaalsContact N-O 3.09Å; S165-P243 WeakPolarHBondContact OG-CD 3.04Å
166G87.6Confident87.1Confident8 Ų828.9 Ų28.98%0.08215%0.154CC..THydrogen-bonded Turntrans-108.10.5-170.800000116.8N164 C185N164-G166 VanDerWaalsContact C-N 3.32Å; N164-G166 PolarHBondContact O-N 2.93Å; N164-G166 PolarHBondContact OD1-N 2.99Å; G166-C185 WeakPolarHBondContact O-CA 3.46Å; G166-C185 WeakPolarHBondContact O-CB 3.47Å
167D91.8Very high88.1Confident1 Ų127 Ų271%0.00514%0.143CC..SBendtrans-124.3173.7-176.7-58.5-27.2000111.7H144 K146 N164 F169 G182H144-D167 IonicContact CD2-OD2 3.35Å; H144-D167 IonicContact CE1-OD2 2.78Å; H144-D167 PolarHBondContact CE1-OD2 2.88Å; H144-D167 WeakPolarHBondContact NE2-CB 3.28Å; H144-D167 IonicContact NE2-OD2 3.47Å; H144-D167 PolarHBondContact NE2-OD2 2.97Å; K146-D167 VanDerWaalsContact CD-OD2 3.3Å; K146-D167 WeakPolarHBondContact CD-OD2 3.43Å; K146-D167 VanDerWaalsContact NZ-CG 3.32Å; K146-D167 IonicContact NZ-OD1 2.82Å; K146-D167 PolarHBondContact NZ-OD1 3.33Å; K146-D167 IonicContact NZ-OD2 3.7Å; K146-D167 PolarHBondContact NZ-OD2 3.43Å; K146-D167 VanDerWaalsContact NZ-OD2 3.09Å; N164-D167 PolarHBondContact ND2-OD2 2.96Å; N164-D167 WeakPolarHBondContact OD1-CB 3.31Å; N164-D167 VanDerWaalsContact OD1-CG 3.31Å; N164-D167 PolarHBondContact OD1-N 2.95Å; N164-D167 PolarHBondContact OD1-OD2 3.01Å; D167-F169 HydrophobicContact CB-CE2 4.04Å; D167-F169 HydrophobicContact CB-CZ 4.41Å; D167-G182 WeakPolarHBondContact O-CA 3.48Å; D167-G182 PolarHBondContact O-N 2.94Å
168V93.9Very high88.8Confident0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-106.5144.5177.1179.50000109.8V145 Q179 N181 C185 E189 K190 A193V145-V168 WeakPolarHBondContact CA-O 2.98Å; V145-V168 HydrophobicContact CB-CB 4.12Å; V145-V168 WeakPolarHBondContact CB-O 3.14Å; V145-V168 PolarHBondContact N-O 2.86Å; V145-V168 PolarHBondContact O-N 3.25Å; V145-V168 VanDerWaalsContact O-N 3.11Å; V168-Q179 HydrophobicContact CG1-CG 3.79Å; V168-N181 VanDerWaalsContact CG1-OD1 3.3Å; V168-N181 WeakPolarHBondContact CG1-OD1 3.26Å; V168-C185 HydrophobicContact CG2-CB 3.79Å; V168-E189 HydrophobicContact CB-CB 4.38Å; V168-E189 HydrophobicContact CG2-CB 3.78Å; V168-K190 HydrophobicContact CG2-CG 4.05Å; V168-A193 HydrophobicContact CB-CB 4.21Å; V168-A193 HydrophobicContact CG1-CB 3.34Å
169F94.6Very high89.3Confident0 Ų018.4 Ų18.40%010%0.099CC..EExtended strand (participates in β ladder)trans-128145.3179-65.5-96.2000110.9L142 L143 H144 S162 F163 D167 Q179 W180L142-F169 HydrophobicContact CD1-CB 4.09Å; L142-F169 HydrophobicContact CD1-CD1 4.5Å; L142-F169 HydrophobicContact CD2-CD1 4.39Å; L142-F169 HydrophobicContact CG-CD1 4.39Å; L143-F169 CarbonylContact O-C 3.53Å; L143-F169 WeakPolarHBondContact O-CA 3.11Å; H144-F169 HydrophobicContact CB-CD1 3.95Å; H144-F169 HydrophobicContact CB-CE1 3.64Å; H144-F169 HydrophobicContact CB-CZ 4.49Å; H144-F169 AromaticContact CD2-CE1 3.33Å; H144-F169 WeakPolarHBondContact CD2-CE1 3.35Å; H144-F169 AromaticContact CD2-CZ 3.3Å; H144-F169 WeakPolarHBondContact CD2-CZ 3.06Å; H144-F169 AromaticContact CG-CE1 3.5Å; H144-F169 VanDerWaalsContact CG-CE1 3.5Å; H144-F169 AromaticContact CG-CZ 3.9Å; H144-F169 AromaticContact NE2-CZ 3.69Å; S162-F169 VanDerWaalsContact O-CE1 3.26Å; S162-F169 WeakPolarHBondContact O-CE1 3.31Å; S162-F169 VanDerWaalsContact O-CZ 3.22Å; S162-F169 WeakPolarHBondContact O-CZ 3.26Å; F163-F169 HydrophobicContact CB-CE2 4.42Å; F163-F169 HydrophobicContact CD1-CB 4.16Å; F163-F169 HydrophobicContact CD1-CD1 4.42Å; F163-F169 AromaticContact CD1-CD2 3.68Å; F163-F169 HydrophobicContact CD1-CD2 3.68Å; F163-F169 HydrophobicContact CD1-CE2 4.2Å; F163-F169 AromaticContact CD1-CG 3.82Å; F163-F169 HydrophobicContact CD1-CG 3.82Å; F163-F169 HydrophobicContact CE1-CB 3.65Å; F163-F169 HydrophobicContact CE1-CD2 4.07Å; F163-F169 AromaticContact CE1-CG 3.82Å; F163-F169 HydrophobicContact CE1-CG 3.82Å; F163-F169 HydrophobicContact CG-CD2 4.3Å; F163-F169 HydrophobicContact CG-CE2 4.45Å; F163-F169 HydrophobicContact CG-CG 4.35Å; F163-F169 HydrophobicContact CZ-CB 4.09Å; F163-F169 HydrophobicContact CZ-CG 4.37Å; D167-F169 HydrophobicContact CB-CE2 4.04Å; D167-F169 HydrophobicContact CB-CZ 4.41Å; F169-Q179 CarbonylContact O-C 3.55Å; F169-Q179 WeakPolarHBondContact O-CA 3.24Å; F169-W180 AromaticContact CD2-CE3 3.85Å; F169-W180 HydrophobicContact CD2-CE3 3.85Å; F169-W180 HydrophobicContact CD2-CZ3 4.05Å; F169-W180 HydrophobicContact CE2-CZ3 4.42Å; F169-W180 PolarHBondContact N-O 3.2Å; F169-W180 PolarHBondContact O-N 3.35Å
170I92.1Very high89.7Confident0 Ų017.4 Ų17.40%09%0.093CC..EExtended strand (participates in β ladder)trans-118.5109.6175-54.8174.1000108.2L142 L143 V145 I177 I178 A193 L196 A197L142-I170 CarbonylContact C-O 3.58Å; L142-I170 WeakPolarHBondContact CA-O 3.25Å; L143-I170 HydrophobicContact CB-CB 4.13Å; L143-I170 HydrophobicContact CD1-CB 4.38Å; L143-I170 HydrophobicContact CD1-CD1 4.49Å; L143-I170 PolarHBondContact N-O 2.87Å; L143-I170 PolarHBondContact O-N 3.03Å; V145-I170 HydrophobicContact CG2-CD1 4Å; V145-I170 HydrophobicContact CG2-CG1 4.12Å; I170-I177 HydrophobicContact CG2-CG2 3.42Å; I170-I177 VanDerWaalsContact CG2-CG2 3.42Å; I170-I178 CarbonylContact C-O 3.59Å; I170-I178 WeakPolarHBondContact CA-O 3.2Å; I170-A193 HydrophobicContact CD1-CB 4.19Å; I170-A193 WeakPolarHBondContact CD1-O 3.34Å; I170-A193 HydrophobicContact CG1-CB 4.31Å; I170-L196 HydrophobicContact CD1-CB 4.06Å; I170-L196 HydrophobicContact CD1-CD2 3.82Å; I170-L196 HydrophobicContact CD1-CG 3.96Å; I170-A197 HydrophobicContact CD1-CB 4.39Å
171L93.4Very high89.9Confident1 Ų116.9 Ų16.91%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-91.6111.1171.5179.867000108.9L142 V158 L173 I178 M229 V232 L233L142-L171 HydrophobicContact CD1-CB 4.02Å; L142-L171 HydrophobicContact CD1-CD1 4.24Å; V158-L171 HydrophobicContact CG1-CD1 3.92Å; L171-L173 HydrophobicContact CD1-CD2 4.08Å; L171-L173 HydrophobicContact CD2-CD1 4.38Å; L171-L173 HydrophobicContact CD2-CD2 4.11Å; L171-L173 HydrophobicContact CD2-CG 4.4Å; L171-L173 HydrophobicContact CG-CD2 3.84Å; L171-L173 HydrophobicContact CG-CG 4.13Å; L171-I178 HydrophobicContact CB-CB 4.32Å; L171-I178 HydrophobicContact CD2-CD1 4.44Å; L171-I178 PolarHBondContact N-O 3.5Å; L171-I178 PolarHBondContact O-N 2.8Å; L171-M229 HydrophobicContact CD2-CG 4.05Å; L171-V232 HydrophobicContact CD1-CG1 4.33Å; L171-L233 HydrophobicContact CD1-CD2 4.37Å; L171-L233 HydrophobicContact CD2-CD1 4.15Å; L171-L233 HydrophobicContact CD2-CG 4.31Å
172D86Confident90.2Very high0 Ų012.2 Ų12.20%07%0.066CC..EExtended strand (participates in β ladder)trans-103.3111.7-175.91774.4000110I139 V140 R141 G174 R205I139-D172 CarbonylContact C-O 3.58Å; V140-D172 VanDerWaalsContact CA-O 3.24Å; V140-D172 WeakPolarHBondContact CA-O 3.45Å; R141-D172 HydrophobicContact CG-CB 3.77Å; R141-D172 IonicContact CZ-OD2 3.7Å; R141-D172 VanDerWaalsContact CZ-OD2 3.24Å; R141-D172 PolarHBondContact N-O 2.86Å; R141-D172 IonicContact NE-OD2 3.06Å; R141-D172 PolarHBondContact NE-OD2 2.85Å; R141-D172 IonicContact NH2-OD2 3.8Å; R141-D172 PolarHBondContact NH2-OD2 2.81Å; R141-D172 PolarHBondContact O-N 2.95Å; D172-G174 PolarHBondContact OD1-N 3.46Å; D172-G174 VanDerWaalsContact OD1-N 3.1Å; D172-R205 IonicContact OD1-CZ 2.81Å; D172-R205 VanDerWaalsContact OD1-CZ 3.31Å; D172-R205 IonicContact OD1-NH1 2.7Å; D172-R205 PolarHBondContact OD1-NH1 3.27Å; D172-R205 IonicContact OD1-NH2 3.43Å; D172-R205 PolarHBondContact OD1-NH2 2.78Å; D172-R205 IonicContact OD2-CZ 3.59Å; D172-R205 IonicContact OD2-NH1 3.54Å; D172-R205 IonicContact OD2-NH2 3.61Å; D172-R205 PolarHBondContact OD2-NH2 2.83Å
173L85.5Confident90.3Very high30 Ų3014.3 Ų14.316%0.1578%0.079CC..  trans-106.521-176.8-53.9178.6000112.2I139 V140 L171 K175 T176 I178 M228 V232I139-L173 CarbonylContact O-C 3.48Å; I139-L173 WeakPolarHBondContact O-CA 3.45Å; V140-L173 HydrophobicContact CG1-CD2 4.16Å; V140-L173 HydrophobicContact CG2-CD2 4.29Å; L171-L173 HydrophobicContact CD1-CD2 4.08Å; L171-L173 HydrophobicContact CD2-CD1 4.38Å; L171-L173 HydrophobicContact CD2-CD2 4.11Å; L171-L173 HydrophobicContact CD2-CG 4.4Å; L171-L173 HydrophobicContact CG-CD2 3.84Å; L171-L173 HydrophobicContact CG-CG 4.13Å; L173-K175 VanDerWaalsContact C-N 3.35Å; L173-K175 PolarHBondContact O-N 3.25Å; L173-T176 WeakPolarHBondContact CA-O 3.38Å; L173-T176 WeakPolarHBondContact CB-O 3.27Å; L173-T176 PolarHBondContact N-O 2.66Å; L173-I178 HydrophobicContact CD1-CD1 3.98Å; L173-M228 HydrophobicContact CD1-CG 3.89Å; L173-M228 HydrophobicContact CD1-SD 3.73Å; L173-V232 HydrophobicContact CD1-CG2 4.34Å; L173-V232 HydrophobicContact CD2-CB 4.47Å; L173-V232 HydrophobicContact CD2-CG1 4.09Å; L173-V232 HydrophobicContact CD2-CG2 3.85Å
174G77.9Confident90.1Very high2 Ų220.2 Ų20.22%0.02111%0.107CC..SBendtrans81.9-69.7179.300000113.6I139 D172 R205I139-G174 PolarHBondContact O-N 2.79Å; D172-G174 PolarHBondContact OD1-N 3.46Å; D172-G174 VanDerWaalsContact OD1-N 3.1Å; G174-R205 VanDerWaalsContact C-NH1 3.31Å; G174-R205 PolarHBondContact O-NH1 3.15Å
175K81.2Confident89.9Confident125 Ų12520.6 Ų20.654%0.54311%0.11SC..SBendtrans-85.5-23.8177.4-70.8-172.7178.8-178.30113.4Y137 L173 A209 D210Y137-K175 HydrophobicContact CD1-CG 3.85Å; Y137-K175 HydrophobicContact CE1-CG 4.49Å; Y137-K175 HydrophobicContact CG-CD 4.49Å; Y137-K175 HydrophobicContact CG-CG 4.05Å; L173-K175 VanDerWaalsContact C-N 3.35Å; L173-K175 PolarHBondContact O-N 3.25Å; K175-A209 CarbonylContact O-C 3.44Å; K175-A209 VanDerWaalsContact O-CA 3.3Å; K175-A209 WeakPolarHBondContact O-CA 3.41Å; K175-D210 PolarHBondContact O-N 2.72Å
176T87.7Confident89.6Confident29 Ų2921.6 Ų21.618%0.17811%0.114CC..EExtended strand (participates in β ladder)trans-130.2131.8-178.1-53.70000108.7L173 I178 D210 V212 M228L173-T176 WeakPolarHBondContact CA-O 3.38Å; L173-T176 WeakPolarHBondContact CB-O 3.27Å; L173-T176 PolarHBondContact N-O 2.66Å; T176-I178 HydrophobicContact CG2-CG1 4.06Å; T176-D210 CarbonylContact C-O 3.53Å; T176-D210 WeakPolarHBondContact CA-O 3.34Å; T176-V212 HydrophobicContact CG2-CG2 3.83Å; T176-M228 HydrophobicContact CG2-SD 4.21Å
177I91.1Very high89.3Confident0 Ų031.8 Ų31.80%015%0.15CC..EExtended strand (participates in β ladder)trans-115.4109.2178.9-58.4167.4000106.3I170 A197 I200 R201 A209 D210 V211 V212I170-I177 HydrophobicContact CG2-CG2 3.42Å; I170-I177 VanDerWaalsContact CG2-CG2 3.42Å; I177-A197 HydrophobicContact CG2-CB 3.81Å; I177-I200 HydrophobicContact CD1-CB 4.1Å; I177-I200 HydrophobicContact CD1-CG2 3.66Å; I177-R201 HydrophobicContact CD1-CB 4.16Å; I177-A209 HydrophobicContact CD1-CB 4.12Å; I177-A209 HydrophobicContact CG1-CB 4.47Å; I177-D210 PolarHBondContact N-O 3.01Å; I177-V211 HydrophobicContact CB-CG2 4.3Å; I177-V211 HydrophobicContact CD1-CG2 4.25Å; I177-V211 WeakPolarHBondContact O-CA 3.49Å; I177-V212 PolarHBondContact O-N 3.47Å
178I95Very high88.3Confident0 Ų038.7 Ų38.70%018%0.176CC..EExtended strand (participates in β ladder)trans-97.9112.6-177.7-51.7178.9000108.7I170 L171 L173 T176 V212 V214 M228 M229I170-I178 CarbonylContact C-O 3.59Å; I170-I178 WeakPolarHBondContact CA-O 3.2Å; L171-I178 HydrophobicContact CB-CB 4.32Å; L171-I178 HydrophobicContact CD2-CD1 4.44Å; L171-I178 PolarHBondContact N-O 3.5Å; L171-I178 PolarHBondContact O-N 2.8Å; L173-I178 HydrophobicContact CD1-CD1 3.98Å; T176-I178 HydrophobicContact CG2-CG1 4.06Å; I178-V212 CarbonylContact C-O 3.52Å; I178-V212 WeakPolarHBondContact CA-O 2.95Å; I178-V212 HydrophobicContact CB-CG2 4.2Å; I178-V212 HydrophobicContact CG1-CG2 3.75Å; I178-V212 HydrophobicContact CG2-CG2 4.35Å; I178-V214 HydrophobicContact CG2-CG2 3.84Å; I178-M228 HydrophobicContact CD1-CB 4.47Å; I178-M228 HydrophobicContact CD1-CG 4.32Å; I178-M228 HydrophobicContact CD1-SD 3.85Å; I178-M229 HydrophobicContact CD1-CG 3.86Å; I178-M229 HydrophobicContact CG2-CG 4.26Å; I178-M229 HydrophobicContact CG2-SD 3.95Å
179Q95.8Very high87.6Confident1 Ų138.8 Ų38.81%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-86.2116.9167176.3-179.5-29.500109.4V168 F169 N181 K190 A193 V194 V212 V213 V214V168-Q179 HydrophobicContact CG1-CG 3.79Å; F169-Q179 CarbonylContact O-C 3.55Å; F169-Q179 WeakPolarHBondContact O-CA 3.24Å; Q179-N181 WeakPolarHBondContact CG-OD1 3.36Å; Q179-N181 PolarHBondContact NE2-OD1 2.94Å; Q179-K190 PolarHBondContact NE2-O 3.12Å; Q179-A193 HydrophobicContact CG-CB 4.13Å; Q179-V194 VanDerWaalsContact OE1-N 3.16Å; Q179-V212 PolarHBondContact N-O 2.81Å; Q179-V213 HydrophobicContact CB-CG2 4.31Å; Q179-V213 CarbonylContact O-C 3.41Å; Q179-V213 WeakPolarHBondContact O-CA 3.26Å; Q179-V214 PolarHBondContact O-N 2.72Å
180W95.9Very high87.2Confident1 Ų141.6 Ų41.60%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-103123.2174.1-174.791.4000110.4F163 F169 V214 E219 M229 L240F163-W180 AromaticContact CD1-CD2 3.86Å; F163-W180 HydrophobicContact CD1-CD2 3.86Å; F163-W180 AromaticContact CD1-CE3 3.52Å; F163-W180 HydrophobicContact CD1-CE3 3.52Å; F163-W180 HydrophobicContact CD1-CG 4.48Å; F163-W180 HydrophobicContact CD1-CH2 4.34Å; F163-W180 AromaticContact CD1-CZ3 3.77Å; F163-W180 HydrophobicContact CD1-CZ3 3.77Å; F163-W180 HydrophobicContact CE1-CB 4.04Å; F163-W180 AromaticContact CE1-CD2 3.75Å; F163-W180 HydrophobicContact CE1-CD2 3.75Å; F163-W180 AromaticContact CE1-CE3 3.73Å; F163-W180 HydrophobicContact CE1-CE3 3.73Å; F163-W180 AromaticContact CE1-CG 3.89Å; F163-W180 HydrophobicContact CE1-CG 3.89Å; F163-W180 HydrophobicContact CE1-CZ3 4.44Å; F169-W180 AromaticContact CD2-CE3 3.85Å; F169-W180 HydrophobicContact CD2-CE3 3.85Å; F169-W180 HydrophobicContact CD2-CZ3 4.05Å; F169-W180 HydrophobicContact CE2-CZ3 4.42Å; F169-W180 PolarHBondContact N-O 3.2Å; F169-W180 PolarHBondContact O-N 3.35Å; W180-V214 WeakPolarHBondContact CA-O 3.28Å; W180-E219 PolarHBondContact NE1-OE1 3.47Å; W180-M229 HydrophobicContact CB-CE 3.98Å; W180-M229 HydrophobicContact CG-CE 3.98Å; W180-L240 HydrophobicContact CH2-CD1 3.41Å; W180-L240 VanDerWaalsContact CH2-CD1 3.41Å; W180-L240 HydrophobicContact CZ2-CD1 3.79Å; W180-L240 HydrophobicContact CZ3-CD1 4.45Å
181N94.7Very high86.2Confident3 Ų346.9 Ų46.92%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-101.7119.5-177.2-68.6-21.1000111V168 Q179 V214 E215 G216V168-N181 VanDerWaalsContact CG1-OD1 3.3Å; V168-N181 WeakPolarHBondContact CG1-OD1 3.26Å; Q179-N181 WeakPolarHBondContact CG-OD1 3.36Å; Q179-N181 PolarHBondContact NE2-OD1 2.94Å; N181-V214 PolarHBondContact N-O 2.9Å; N181-E215 PolarHBondContact ND2-OE1 2.71Å; N181-G216 WeakPolarHBondContact O-CA 3.48Å; N181-G216 PolarHBondContact O-N 3.44Å
182G92.3Very high84.9Confident1 Ų151.6 Ų51.61%0.0124%0.236CC..PPolyproline II helixtrans-57.6144.1173.400000112.7S165 D167 E184 C185S165-G182 CarbonylContact O-C 3.57Å; S165-G182 VanDerWaalsContact O-C 3.23Å; S165-G182 WeakPolarHBondContact O-CA 3.45Å; D167-G182 WeakPolarHBondContact O-CA 3.48Å; D167-G182 PolarHBondContact O-N 2.94Å; G182-E184 PolarHBondContact O-N 2.91Å; G182-E184 VanDerWaalsContact O-N 3.12Å; G182-C185 PolarHBondContact O-N 3.39Å; G182-C185 VanDerWaalsContact O-N 3.12Å; G182-C185 PolarHBondContact O-SG 2.92Å
183P89.1Confident84.4Confident68 Ų6851.6 Ų51.644%0.44224%0.236SC..THydrogen-bonded Turntrans-53.7-30.5177.6-28.135000115.1S165 A217S165-P183 WeakPolarHBondContact O-CD 3.31Å; S165-P183 VanDerWaalsContact O-N 3.13Å; P183-A217 HydrophobicContact CB-CB 4.15Å; P183-A217 HydrophobicContact CG-CB 4.38Å
184E87.1Confident84.3Confident126 Ų12652.3 Ų52.359%0.58924%0.242SC*.THydrogen-bonded Turntrans-106.67.2-177.2-61.3169.2-117.600112.7S165 G182S165-E184 WeakPolarHBondContact CB-OE1 3.32Å; S165-E184 WeakPolarHBondContact O-CB 3.35Å; S165-E184 PolarHBondContact O-N 2.88Å; S165-E184 PolarHBondContact OG-OE1 3.05Å; G182-E184 PolarHBondContact O-N 2.91Å; G182-E184 VanDerWaalsContact O-N 3.12Å
185C86.5Confident83.6Confident18 Ų1856.7 Ų56.712%0.12227%0.265CS..  trans-69.9150.7-175.6740000114.1G166 V168 G182 K190G166-C185 WeakPolarHBondContact O-CA 3.46Å; G166-C185 WeakPolarHBondContact O-CB 3.47Å; V168-C185 HydrophobicContact CG2-CB 3.79Å; G182-C185 PolarHBondContact O-N 3.39Å; G182-C185 VanDerWaalsContact O-N 3.12Å; G182-C185 PolarHBondContact O-SG 2.92Å; C185-K190 WeakPolarHBondContact SG-CE 3.41Å
186N82.4Confident82.5Confident39 Ų3952.7 Ų52.721%0.20925%0.249CC..  trans-88.1157.8-172.381.355.7000112.5G147 R188 E189 K190G147-N186 PolarHBondContact O-ND2 2.83Å; N186-R188 PolarHBondContact O-N 3.3Å; N186-R188 WeakPolarHBondContact OD1-CA 3.46Å; N186-R188 WeakPolarHBondContact OD1-CB 3.41Å; N186-R188 PolarHBondContact OD1-N 3.35Å; N186-E189 VanDerWaalsContact CG-CD 3.43Å; N186-E189 PolarHBondContact N-OE2 3.39Å; N186-E189 WeakPolarHBondContact ND2-CG 3.49Å; N186-E189 PolarHBondContact ND2-OE1 3.09Å; N186-E189 VanDerWaalsContact ND2-OE1 3.13Å; N186-E189 PolarHBondContact ND2-OE2 3.12Å; N186-E189 PolarHBondContact O-N 2.87Å; N186-E189 PolarHBondContact OD1-N 3.12Å; N186-K190 PolarHBondContact O-N 2.67Å
187R82.4Confident81.9Confident223 Ų22351.3 Ų51.384%0.84224%0.241SC*.Hα-helixtrans-61.1-31.4-175.9-166.8178.183163.53.6113.2L191R187-L191 PolarHBondContact O-N 2.82Å; R187-L191 VanDerWaalsContact O-N 3.15Å
188R69.4Low80.8Confident146 Ų14654.8 Ų54.855%0.55126%0.257SS*.Hα-helixtrans-74.9-38.5-177.9-67.7178.1173.8-178.9-3.6111R148 V151 N186 L191 K192R148-R188 VanDerWaalsContact O-CD 3.23Å; R148-R188 WeakPolarHBondContact O-CD 3.27Å; R148-R188 PolarHBondContact O-NH1 3.04Å; V151-R188 HydrophobicContact CG2-CB 3.95Å; N186-R188 PolarHBondContact O-N 3.3Å; N186-R188 WeakPolarHBondContact OD1-CA 3.46Å; N186-R188 WeakPolarHBondContact OD1-CB 3.41Å; N186-R188 PolarHBondContact OD1-N 3.35Å; R188-L191 PolarHBondContact O-N 2.79Å; R188-K192 WeakPolarHBondContact O-CB 3.44Å; R188-K192 PolarHBondContact O-N 2.86Å
189E79.6Confident78.7Confident1 Ų158 Ų581%0.00527%0.274CS..Hα-helixtrans-60.1-46.9172.9-71.4162.4163.500111.4G147 V151 V168 N186 L191 K192 A193G147-E189 PolarHBondContact N-OE1 3.19Å; G147-E189 WeakPolarHBondContact O-CG 3.41Å; V151-E189 HydrophobicContact CG1-CB 4.43Å; V151-E189 HydrophobicContact CG1-CG 4Å; V151-E189 HydrophobicContact CG2-CG 4.19Å; V168-E189 HydrophobicContact CB-CB 4.38Å; V168-E189 HydrophobicContact CG2-CB 3.78Å; N186-E189 VanDerWaalsContact CG-CD 3.43Å; N186-E189 PolarHBondContact N-OE2 3.39Å; N186-E189 WeakPolarHBondContact ND2-CG 3.49Å; N186-E189 PolarHBondContact ND2-OE1 3.09Å; N186-E189 VanDerWaalsContact ND2-OE1 3.13Å; N186-E189 PolarHBondContact ND2-OE2 3.12Å; N186-E189 PolarHBondContact O-N 2.87Å; N186-E189 PolarHBondContact OD1-N 3.12Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-L191 PolarHBondContact O-N 3Å; E189-K192 PolarHBondContact O-N 3.46Å; E189-A193 VanDerWaalsContact O-CB 3.3Å; E189-A193 WeakPolarHBondContact O-CB 3.4Å; E189-A193 PolarHBondContact O-N 2.94Å
190K85.8Confident76.8Confident59 Ų5958 Ų5826%0.25727%0.274SS..Hα-helixtrans-56.4-47.9175.1-67.1-169.5177.3-157.20111.8V168 Q179 C185 N186 A193 V194 E215V168-K190 HydrophobicContact CG2-CG 4.05Å; Q179-K190 PolarHBondContact NE2-O 3.12Å; C185-K190 WeakPolarHBondContact SG-CE 3.41Å; N186-K190 PolarHBondContact O-N 2.67Å; K190-A193 PolarHBondContact O-N 3.42Å; K190-V194 WeakPolarHBondContact O-CG2 3.29Å; K190-V194 PolarHBondContact O-N 3.41Å; K190-E215 VanDerWaalsContact NZ-CD 3.33Å; K190-E215 IonicContact NZ-OE1 2.81Å; K190-E215 PolarHBondContact NZ-OE1 3.41Å; K190-E215 IonicContact NZ-OE2 2.91Å; K190-E215 PolarHBondContact NZ-OE2 3.13Å
191L71.1Confident75.9Confident111 Ų11161.6 Ų61.658%0.58129%0.287SS*.Hα-helixtrans-64.2-44.2-179.5-176.965.2000111.9R187 R188 E189 V194 L195R187-L191 PolarHBondContact O-N 2.82Å; R187-L191 VanDerWaalsContact O-N 3.15Å; R188-L191 PolarHBondContact O-N 2.79Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-L191 PolarHBondContact O-N 3Å; L191-V194 PolarHBondContact O-N 3.23Å; L191-L195 HydrophobicContact CG-CD1 4.41Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.07Å; L191-L195 VanDerWaalsContact O-N 3.09Å
192K66.5Low73.9Confident100 Ų10065 Ų6544%0.43531%0.306SS..Hα-helixtrans-65.1-41.3178.2-175.769.4170.6-178.60111.6V145 V151 R188 E189 V194 L195 L196V145-K192 HydrophobicContact CG1-CB 4.49Å; V145-K192 HydrophobicContact CG1-CG 4.48Å; V151-K192 HydrophobicContact CB-CB 3.8Å; V151-K192 HydrophobicContact CB-CG 3.78Å; V151-K192 HydrophobicContact CG1-CB 3.61Å; V151-K192 HydrophobicContact CG1-CG 3.64Å; V151-K192 HydrophobicContact CG2-CB 4.32Å; V151-K192 WeakPolarHBondContact O-CE 3.25Å; R188-K192 WeakPolarHBondContact O-CB 3.44Å; R188-K192 PolarHBondContact O-N 2.86Å; E189-K192 PolarHBondContact O-N 3.46Å; K192-V194 VanDerWaalsContact C-N 3.34Å; K192-L195 PolarHBondContact O-N 2.63Å; K192-L196 VanDerWaalsContact O-CB 3.31Å; K192-L196 WeakPolarHBondContact O-CB 3.19Å; K192-L196 PolarHBondContact O-N 3.18Å
193A75.5Confident71.7Confident0 Ų074.2 Ų74.20%034%0.34CS..Hα-helixtrans-62.9-40.5177.700000111.9V145 V168 I170 Q179 E189 K190 L196 A197V145-A193 HydrophobicContact CB-CB 4.38Å; V145-A193 HydrophobicContact CG1-CB 4.18Å; V145-A193 HydrophobicContact CG2-CB 4.11Å; V168-A193 HydrophobicContact CB-CB 4.21Å; V168-A193 HydrophobicContact CG1-CB 3.34Å; I170-A193 HydrophobicContact CD1-CB 4.19Å; I170-A193 WeakPolarHBondContact CD1-O 3.34Å; I170-A193 HydrophobicContact CG1-CB 4.31Å; Q179-A193 HydrophobicContact CG-CB 4.13Å; E189-A193 VanDerWaalsContact O-CB 3.3Å; E189-A193 WeakPolarHBondContact O-CB 3.4Å; E189-A193 PolarHBondContact O-N 2.94Å; K190-A193 PolarHBondContact O-N 3.42Å; A193-L196 PolarHBondContact O-N 3.06Å; A193-A197 WeakPolarHBondContact O-CB 3.31Å; A193-A197 PolarHBondContact O-N 2.76Å
194V82.8Confident70Confident46 Ų4675.5 Ų75.528%0.27934%0.34SS..Hα-helixtrans-61.3-49.7174.6169.50000110.7Q179 K190 L191 K192 L196 A197 Q198Q179-V194 VanDerWaalsContact OE1-N 3.16Å; K190-V194 WeakPolarHBondContact O-CG2 3.29Å; K190-V194 PolarHBondContact O-N 3.41Å; L191-V194 PolarHBondContact O-N 3.23Å; K192-V194 VanDerWaalsContact C-N 3.34Å; V194-L196 VanDerWaalsContact C-N 3.3Å; V194-L196 PolarHBondContact O-N 3.07Å; V194-A197 PolarHBondContact O-N 3.42Å; V194-Q198 HydrophobicContact CG1-CG 4.5Å; V194-Q198 WeakPolarHBondContact O-CB 3.48Å; V194-Q198 VanDerWaalsContact O-CG 3.3Å; V194-Q198 WeakPolarHBondContact O-CG 3.3Å; V194-Q198 PolarHBondContact O-N 3.26Å
195L64.6Low68.8Low94 Ų9471.1 Ų71.149%0.49232%0.318SS..Hα-helixtrans-62.2-39.4179.3-67.9173000111.7L191 K192 Q198 D199L191-L195 HydrophobicContact CG-CD1 4.41Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 3.07Å; L191-L195 VanDerWaalsContact O-N 3.09Å; K192-L195 PolarHBondContact O-N 2.63Å; L195-Q198 PolarHBondContact O-N 3.28Å; L195-D199 WeakPolarHBondContact O-CB 3.49Å; L195-D199 PolarHBondContact O-N 3.5Å
196L58.2Low67.2Low41 Ų4173 Ų7322%0.21534%0.34CS..Hα-helixtrans-67.7-43177.2-179.559.1000111.9L143 A153 I170 K192 A193 V194 Q198 D199 I200L143-L196 HydrophobicContact CD1-CD2 4.14Å; A153-L196 HydrophobicContact CB-CD2 3.21Å; I170-L196 HydrophobicContact CD1-CB 4.06Å; I170-L196 HydrophobicContact CD1-CD2 3.82Å; I170-L196 HydrophobicContact CD1-CG 3.96Å; K192-L196 VanDerWaalsContact O-CB 3.31Å; K192-L196 WeakPolarHBondContact O-CB 3.19Å; K192-L196 PolarHBondContact O-N 3.18Å; A193-L196 PolarHBondContact O-N 3.06Å; V194-L196 VanDerWaalsContact C-N 3.3Å; V194-L196 PolarHBondContact O-N 3.07Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.12Å; L196-D199 PolarHBondContact O-N 3.19Å; L196-I200 HydrophobicContact CD1-CD1 4.32Å; L196-I200 HydrophobicContact CD1-CG1 4.42Å; L196-I200 HydrophobicContact CG-CD1 4.12Å; L196-I200 VanDerWaalsContact O-CG1 3.27Å; L196-I200 WeakPolarHBondContact O-CG1 3.5Å; L196-I200 PolarHBondContact O-N 2.82Å
197A74.4Confident65.9Low0 Ų073 Ų730%035%0.35CS..Hα-helixtrans-63.7-39.1176.200000112I170 I177 A193 V194 R201 V211I170-A197 HydrophobicContact CD1-CB 4.39Å; I177-A197 HydrophobicContact CG2-CB 3.81Å; A193-A197 WeakPolarHBondContact O-CB 3.31Å; A193-A197 PolarHBondContact O-N 2.76Å; V194-A197 PolarHBondContact O-N 3.42Å; A197-R201 WeakPolarHBondContact O-CB 3.4Å; A197-R201 PolarHBondContact O-N 3.06Å; A197-V211 HydrophobicContact CB-CG1 3.66Å; A197-V211 HydrophobicContact CB-CG2 4.21Å
198Q66.9Low65Low73 Ų7371.7 Ų71.734%0.34135%0.345SS..Hα-helixtrans-65.1-41.6172.5-72.7175.3-14.500112V194 L195 L196 R201 D202V194-Q198 HydrophobicContact CG1-CG 4.5Å; V194-Q198 WeakPolarHBondContact O-CB 3.48Å; V194-Q198 VanDerWaalsContact O-CG 3.3Å; V194-Q198 WeakPolarHBondContact O-CG 3.3Å; V194-Q198 PolarHBondContact O-N 3.26Å; L195-Q198 PolarHBondContact O-N 3.28Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.12Å; Q198-R201 WeakPolarHBondContact O-CB 3.41Å; Q198-R201 PolarHBondContact O-N 2.88Å; Q198-D202 WeakPolarHBondContact O-CB 3.41Å; Q198-D202 VanDerWaalsContact O-CG 3.28Å; Q198-D202 PolarHBondContact O-N 3.33Å
199D50.9Low65.1Low66 Ų6664.9 Ų64.935%0.35332%0.32SS..Hα-helixtrans-64.5-42177.1-160.567.3000111.7L195 L196 D202 R203L195-D199 WeakPolarHBondContact O-CB 3.49Å; L195-D199 PolarHBondContact O-N 3.5Å; L196-D199 PolarHBondContact O-N 3.19Å; D199-D202 PolarHBondContact O-N 3.14Å; D199-R203 VanDerWaalsContact O-CB 3.27Å; D199-R203 WeakPolarHBondContact O-CB 3.29Å; D199-R203 PolarHBondContact O-N 3.16Å; D199-R203 WeakPolarHBondContact OD1-CD 3.43Å; D199-R203 IonicContact OD1-CZ 3.92Å; D199-R203 IonicContact OD1-NE 2.66Å; D199-R203 PolarHBondContact OD1-NE 3.29Å; D199-R203 IonicContact OD1-NH2 3.79Å; D199-R203 WeakPolarHBondContact OD2-CD 3.09Å; D199-R203 IonicContact OD2-NE 3.61Å
200I57.9Low65.4Low3 Ų370.1 Ų70.12%0.01535%0.348CS..Iπ-helixtrans-60.1-47.5172.7-67.3164.8000109.9L143 I177 L196 D202 E204 R205L143-I200 HydrophobicContact CD1-CD1 3.75Å; I177-I200 HydrophobicContact CD1-CB 4.1Å; I177-I200 HydrophobicContact CD1-CG2 3.66Å; L196-I200 HydrophobicContact CD1-CD1 4.32Å; L196-I200 HydrophobicContact CD1-CG1 4.42Å; L196-I200 HydrophobicContact CG-CD1 4.12Å; L196-I200 VanDerWaalsContact O-CG1 3.27Å; L196-I200 WeakPolarHBondContact O-CG1 3.5Å; L196-I200 PolarHBondContact O-N 2.82Å; I200-D202 PolarHBondContact O-N 2.88Å; I200-E204 HydrophobicContact CG2-CB 4.35Å; I200-E204 CarbonylContact O-C 3.53Å; I200-E204 WeakPolarHBondContact O-CA 3.1Å; I200-E204 WeakPolarHBondContact O-CB 3.23Å; I200-E204 PolarHBondContact O-N 2.87Å; I200-R205 PolarHBondContact O-N 3.1Å; I200-R205 VanDerWaalsContact O-N 3.07Å
201R75.8Confident65.6Low75 Ų7569.4 Ų69.428%0.28335%0.349SS..Iπ-helixtrans-56.5-50.6175.8178.4-165.471.7-171.9-2.3111.6I177 A197 Q198 R205 G206 G207 A209 V211I177-R201 HydrophobicContact CD1-CB 4.16Å; A197-R201 WeakPolarHBondContact O-CB 3.4Å; A197-R201 PolarHBondContact O-N 3.06Å; Q198-R201 WeakPolarHBondContact O-CB 3.41Å; Q198-R201 PolarHBondContact O-N 2.88Å; R201-R205 CarbonylContact O-C 3.54Å; R201-R205 VanDerWaalsContact O-C 3.25Å; R201-R205 VanDerWaalsContact O-CA 3.32Å; R201-R205 WeakPolarHBondContact O-CA 3.49Å; R201-R205 VanDerWaalsContact O-CB 3.23Å; R201-R205 WeakPolarHBondContact O-CB 3.48Å; R201-R205 PolarHBondContact O-N 3.09Å; R201-G206 PolarHBondContact O-N 2.95Å; R201-G207 WeakPolarHBondContact O-CA 3.49Å; R201-G207 PolarHBondContact O-N 2.96Å; R201-A209 WeakPolarHBondContact CD-O 3.26Å; R201-A209 HydrophobicContact CG-CB 4.22Å; R201-A209 WeakPolarHBondContact CG-O 3.47Å; R201-V211 HydrophobicContact CB-CG2 4.08Å
202D53.8Low66.7Low75 Ų7565.9 Ų65.940%0.40133%0.332SS..Iπ-helixtrans-79.7-42.7-168.6-67.1-23.2000112.1Q198 D199 I200 G206Q198-D202 WeakPolarHBondContact O-CB 3.41Å; Q198-D202 VanDerWaalsContact O-CG 3.28Å; Q198-D202 PolarHBondContact O-N 3.33Å; D199-D202 PolarHBondContact O-N 3.14Å; I200-D202 PolarHBondContact O-N 2.88Å; D202-G206 WeakPolarHBondContact O-CA 3.35Å; D202-G206 PolarHBondContact O-N 3.27Å
203R44.3Very low68Low195 Ų19564.1 Ų64.174%0.73633%0.329SS*.Iπ-helixtrans-91.4-38.1-175.6-57.6-167.6-172.6-128.81.4113.7D199D199-R203 VanDerWaalsContact O-CB 3.27Å; D199-R203 WeakPolarHBondContact O-CB 3.29Å; D199-R203 PolarHBondContact O-N 3.16Å; D199-R203 WeakPolarHBondContact OD1-CD 3.43Å; D199-R203 IonicContact OD1-CZ 3.92Å; D199-R203 IonicContact OD1-NE 2.66Å; D199-R203 PolarHBondContact OD1-NE 3.29Å; D199-R203 IonicContact OD1-NH2 3.79Å; D199-R203 WeakPolarHBondContact OD2-CD 3.09Å; D199-R203 IonicContact OD2-NE 3.61Å
204E54.8Low68.8Low95 Ų9564.1 Ų64.144%0.44433%0.329SS..Iπ-helixtrans-92.8-28.4-179.3-54.5-174.2-163.400112.6R141 I200R141-E204 IonicContact CZ-OE2 2.85Å; R141-E204 IonicContact NH1-OE1 2.8Å; R141-E204 IonicContact NH1-OE2 3.7Å; R141-E204 IonicContact NH2-OE1 2.73Å; R141-E204 PolarHBondContact NH2-OE1 3.31Å; R141-E204 IonicContact NH2-OE2 3.04Å; R141-E204 PolarHBondContact NH2-OE2 3.31Å; I200-E204 HydrophobicContact CG2-CB 4.35Å; I200-E204 CarbonylContact O-C 3.53Å; I200-E204 WeakPolarHBondContact O-CA 3.1Å; I200-E204 WeakPolarHBondContact O-CB 3.23Å; I200-E204 PolarHBondContact O-N 2.87Å
205R61.7Low69.3Low33 Ų3364.2 Ų64.213%0.12533%0.327CS..SBendtrans-110.92.6-178.6-44.6-63.2159.468.73.4114D172 G174 I200 R201 G207 R208 A209D172-R205 IonicContact OD1-CZ 2.81Å; D172-R205 VanDerWaalsContact OD1-CZ 3.31Å; D172-R205 IonicContact OD1-NH1 2.7Å; D172-R205 PolarHBondContact OD1-NH1 3.27Å; D172-R205 IonicContact OD1-NH2 3.43Å; D172-R205 PolarHBondContact OD1-NH2 2.78Å; D172-R205 IonicContact OD2-CZ 3.59Å; D172-R205 IonicContact OD2-NH1 3.54Å; D172-R205 IonicContact OD2-NH2 3.61Å; D172-R205 PolarHBondContact OD2-NH2 2.83Å; G174-R205 VanDerWaalsContact C-NH1 3.31Å; G174-R205 PolarHBondContact O-NH1 3.15Å; I200-R205 PolarHBondContact O-N 3.1Å; I200-R205 VanDerWaalsContact O-N 3.07Å; R201-R205 CarbonylContact O-C 3.54Å; R201-R205 VanDerWaalsContact O-C 3.25Å; R201-R205 VanDerWaalsContact O-CA 3.32Å; R201-R205 WeakPolarHBondContact O-CA 3.49Å; R201-R205 VanDerWaalsContact O-CB 3.23Å; R201-R205 WeakPolarHBondContact O-CB 3.48Å; R201-R205 PolarHBondContact O-N 3.09Å; R205-G207 PolarHBondContact O-N 2.74Å; R205-R208 PolarHBondContact O-N 3.3Å; R205-A209 HydrophobicContact CB-CB 3.84Å; R205-A209 HydrophobicContact CG-CB 3.78Å
206G51.6Low70.3Confident57 Ų5760.1 Ų60.159%0.58831%0.307SS*.THydrogen-bonded Turntrans59.132.6179.500000113.1R201 D202R201-G206 PolarHBondContact O-N 2.95Å; D202-G206 WeakPolarHBondContact O-CA 3.35Å; D202-G206 PolarHBondContact O-N 3.27Å
207G56.4Low71.5Confident40 Ų4061.7 Ų61.741%0.41233%0.326SS..THydrogen-bonded Turntrans82.35.1179.700000115.6R201 R205R201-G207 WeakPolarHBondContact O-CA 3.49Å; R201-G207 PolarHBondContact O-N 2.96Å; R205-G207 PolarHBondContact O-N 2.74Å
208R63.2Low72Confident195 Ų19568.6 Ų68.674%0.73635%0.352SS*.  trans-10316.6-168.6-57.5-179.3-175.9179.10.3115.5R205R205-R208 PolarHBondContact O-N 3.3Å
209A72.4Confident72.8Confident4 Ų466.3 Ų66.33%0.03334%0.342CS..SBendtrans-115.2147.3177.400000111.2K175 I177 R201 R205K175-A209 CarbonylContact O-C 3.44Å; K175-A209 VanDerWaalsContact O-CA 3.3Å; K175-A209 WeakPolarHBondContact O-CA 3.41Å; I177-A209 HydrophobicContact CD1-CB 4.12Å; I177-A209 HydrophobicContact CG1-CB 4.47Å; R201-A209 WeakPolarHBondContact CD-O 3.26Å; R201-A209 HydrophobicContact CG-CB 4.22Å; R201-A209 WeakPolarHBondContact CG-O 3.47Å; R205-A209 HydrophobicContact CB-CB 3.84Å; R205-A209 HydrophobicContact CG-CB 3.78Å
210D85.6Confident74.3Confident110 Ų11072.7 Ų72.759%0.58837%0.366SS*.EExtended strand (participates in β ladder)trans-88.8130.5177.2-65.5-46.7000110.3K175 T176 I177K175-D210 PolarHBondContact O-N 2.72Å; T176-D210 CarbonylContact C-O 3.53Å; T176-D210 WeakPolarHBondContact CA-O 3.34Å; I177-D210 PolarHBondContact N-O 3.01Å
211V89.4Confident75.6Confident44 Ų4478 Ų7827%0.26739%0.394SS..EExtended strand (participates in β ladder)trans-102.2118173.4179.40000108.1I177 A197 R201I177-V211 HydrophobicContact CB-CG2 4.3Å; I177-V211 HydrophobicContact CD1-CG2 4.25Å; I177-V211 WeakPolarHBondContact O-CA 3.49Å; A197-V211 HydrophobicContact CB-CG1 3.66Å; A197-V211 HydrophobicContact CB-CG2 4.21Å; R201-V211 HydrophobicContact CB-CG2 4.08Å
212V93.6Very high76.2Confident38 Ų3876.2 Ų76.223%0.2339%0.392CS..EExtended strand (participates in β ladder)trans-124.9149-177.6-63.20000110.4T176 I177 I178 Q179 L225T176-V212 HydrophobicContact CG2-CG2 3.83Å; I177-V212 PolarHBondContact O-N 3.47Å; I178-V212 CarbonylContact C-O 3.52Å; I178-V212 WeakPolarHBondContact CA-O 2.95Å; I178-V212 HydrophobicContact CB-CG2 4.2Å; I178-V212 HydrophobicContact CG1-CG2 3.75Å; I178-V212 HydrophobicContact CG2-CG2 4.35Å; Q179-V212 PolarHBondContact N-O 2.81Å; V212-L225 HydrophobicContact CB-CD1 3.99Å; V212-L225 HydrophobicContact CB-CD2 4.3Å; V212-L225 HydrophobicContact CG2-CD1 4.09Å; V212-L225 HydrophobicContact CG2-CD2 3.84Å
213V94Very high77.7Confident63 Ų6376.8 Ų76.838%0.38240%0.4SS..EExtended strand (participates in β ladder)trans-119.6132.9-174.5-175.90000110.4Q179Q179-V213 HydrophobicContact CB-CG2 4.31Å; Q179-V213 CarbonylContact O-C 3.41Å; Q179-V213 WeakPolarHBondContact O-CA 3.26Å
214V93.6Very high79.8Confident0 Ų075.5 Ų75.50%040%0.402CS..EExtended strand (participates in β ladder)trans-118122.2173.9178.60000108.7I178 Q179 W180 N181 E219 L225 V226 M229I178-V214 HydrophobicContact CG2-CG2 3.84Å; Q179-V214 PolarHBondContact O-N 2.72Å; W180-V214 WeakPolarHBondContact CA-O 3.28Å; N181-V214 PolarHBondContact N-O 2.9Å; V214-E219 HydrophobicContact CG1-CG 3.98Å; V214-L225 HydrophobicContact CG2-CB 3.62Å; V214-L225 HydrophobicContact CG2-CD1 3.74Å; V214-L225 HydrophobicContact CG2-CG 4.34Å; V214-V226 HydrophobicContact CG1-CG2 4.25Å; V214-M229 HydrophobicContact CG2-SD 4.45Å
215E92.1Very high81.4Confident47 Ų4772.5 Ų72.522%0.2239%0.389CS..EExtended strand (participates in β ladder)trans-88.9115.7175.3-71.8-70.6164.500109.7N181 K190 A217 R218 E219N181-E215 PolarHBondContact ND2-OE1 2.71Å; K190-E215 VanDerWaalsContact NZ-CD 3.33Å; K190-E215 IonicContact NZ-OE1 2.81Å; K190-E215 PolarHBondContact NZ-OE1 3.41Å; K190-E215 IonicContact NZ-OE2 2.91Å; K190-E215 PolarHBondContact NZ-OE2 3.13Å; E215-A217 PolarHBondContact O-N 3.47Å; E215-A217 VanDerWaalsContact O-N 3.12Å; E215-R218 HydrophobicContact CB-CB 4.29Å; E215-R218 CarbonylContact O-C 3.16Å; E215-R218 VanDerWaalsContact O-C 3.22Å; E215-R218 WeakPolarHBondContact O-CA 3.23Å; E215-R218 PolarHBondContact O-N 3.09Å; E215-E219 PolarHBondContact O-N 3.3Å; E215-E219 VanDerWaalsContact O-N 3.12Å
216G85.5Confident82.5Confident8 Ų872.4 Ų72.48%0.08239%0.392CS..THydrogen-bonded Turntrans-60.6-25.9-173.500000114.7N181 R218 E219N181-G216 WeakPolarHBondContact O-CA 3.48Å; N181-G216 PolarHBondContact O-N 3.44Å; G216-R218 VanDerWaalsContact C-N 3.33Å; G216-E219 WeakPolarHBondContact CA-OE1 3.43Å
217A83.1Confident84.3Confident74 Ų7474.7 Ų74.761%0.61239%0.387SS*.THydrogen-bonded Turntrans-78.4-16.8173.800000113.5P183 E215P183-A217 HydrophobicContact CB-CB 4.15Å; P183-A217 HydrophobicContact CG-CB 4.38Å; E215-A217 PolarHBondContact O-N 3.47Å; E215-A217 VanDerWaalsContact O-N 3.12Å
218R85.9Confident85.8Confident146 Ų14675.9 Ų75.955%0.55138%0.383SS*.  trans-135.536.8-170.7-69.7-174-68.5174.9-0.2112.5E215 G216 K220 D221E215-R218 HydrophobicContact CB-CB 4.29Å; E215-R218 CarbonylContact O-C 3.16Å; E215-R218 VanDerWaalsContact O-C 3.22Å; E215-R218 WeakPolarHBondContact O-CA 3.23Å; E215-R218 PolarHBondContact O-N 3.09Å; G216-R218 VanDerWaalsContact C-N 3.33Å; R218-K220 PolarHBondContact O-N 3.13Å; R218-K220 VanDerWaalsContact O-N 3.11Å; R218-D221 WeakPolarHBondContact CB-OD2 3.27Å; R218-D221 VanDerWaalsContact O-CB 3.28Å; R218-D221 WeakPolarHBondContact O-CB 3.36Å; R218-D221 PolarHBondContact O-N 3.21Å
219E83.7Confident87.1Confident25 Ų2566.7 Ų66.712%0.11735%0.348CS..G310 helixtrans-61.3-24.8-177.4-72.1180177.200114.2W180 V214 E215 G216 D221 T222 V226 R236W180-E219 PolarHBondContact NE1-OE1 3.47Å; V214-E219 HydrophobicContact CG1-CG 3.98Å; E215-E219 PolarHBondContact O-N 3.3Å; E215-E219 VanDerWaalsContact O-N 3.12Å; G216-E219 WeakPolarHBondContact CA-OE1 3.43Å; E219-D221 PolarHBondContact O-N 2.86Å; E219-T222 CarbonylContact O-C 3.59Å; E219-T222 PolarHBondContact O-N 2.88Å; E219-T222 VanDerWaalsContact O-N 3.13Å; E219-V226 HydrophobicContact CB-CG2 3.82Å; E219-V226 HydrophobicContact CG-CG2 4.26Å; E219-V226 WeakPolarHBondContact O-CG2 3.36Å; E219-R236 IonicContact OE1-CZ 3.78Å; E219-R236 IonicContact OE1-NH1 3.12Å; E219-R236 PolarHBondContact OE1-NH1 3.49Å; E219-R236 IonicContact OE1-NH2 2.81Å; E219-R236 PolarHBondContact OE1-NH2 3.4Å; E219-R236 WeakPolarHBondContact OE2-CD 3.16Å; E219-R236 IonicContact OE2-CZ 2.77Å; E219-R236 IonicContact OE2-NE 3.03Å; E219-R236 PolarHBondContact OE2-NE 3.16Å; E219-R236 IonicContact OE2-NH1 3.24Å; E219-R236 PolarHBondContact OE2-NH1 2.7Å; E219-R236 IonicContact OE2-NH2 2.65Å; E219-R236 PolarHBondContact OE2-NH2 3.1Å; E219-R236 VanDerWaalsContact OE2-NH2 3.09Å
220K82.4Confident87.9Confident200 Ų20068.1 Ų68.187%0.8736%0.357SS*.G310 helixtrans-62.2-21.1174.9-64.2-177.3180178.80112.8R218 T222R218-K220 PolarHBondContact O-N 3.13Å; R218-K220 VanDerWaalsContact O-N 3.11Å; K220-T222 VanDerWaalsContact C-N 3.27Å
221D85.1Confident88Confident113 Ų11368.6 Ų68.660%0.60436%0.359SS*.G310 helixtrans-75.7-19.2179.4-60.2-4000111.5R218 E219R218-D221 WeakPolarHBondContact CB-OD2 3.27Å; R218-D221 VanDerWaalsContact O-CB 3.28Å; R218-D221 WeakPolarHBondContact O-CB 3.36Å; R218-D221 PolarHBondContact O-N 3.21Å; E219-D221 PolarHBondContact O-N 2.86Å
222T87.9Confident87.9Confident38 Ų3869 Ų6923%0.23336%0.362CS..  trans-131.862.7-177.458.40000112E219 K220 E224 L225 V226E219-T222 CarbonylContact O-C 3.59Å; E219-T222 PolarHBondContact O-N 2.88Å; E219-T222 VanDerWaalsContact O-N 3.13Å; K220-T222 VanDerWaalsContact C-N 3.27Å; T222-E224 VanDerWaalsContact C-N 3.29Å; T222-E224 PolarHBondContact O-N 3.21Å; T222-L225 HydrophobicContact CG2-CD1 4.27Å; T222-L225 PolarHBondContact O-N 2.91Å; T222-V226 WeakPolarHBondContact O-CG2 3.34Å; T222-V226 PolarHBondContact O-N 3.14Å; T222-V226 VanDerWaalsContact O-N 3.17Å
223P85.9Confident87.6Confident87 Ų8768 Ų6857%0.56536%0.355SS*.Hα-helixtrans-62.2-33.3-172.824.9-34000113.4V226 Q227P223-V226 PolarHBondContact O-N 3.2Å; P223-Q227 WeakPolarHBondContact O-CB 3.22Å; P223-Q227 PolarHBondContact O-N 3.15Å
224E87.6Confident87.2Confident168 Ų16866.6 Ų66.679%0.78535%0.353SS*.Hα-helixtrans-66.4-41.7179.1-62.5178.3-179.200112.4T222 Q227 M228T222-E224 VanDerWaalsContact C-N 3.29Å; T222-E224 PolarHBondContact O-N 3.21Å; E224-Q227 PolarHBondContact O-N 3.34Å; E224-M228 PolarHBondContact O-N 3.09Å; E224-M228 VanDerWaalsContact O-N 3.09Å
225L88.4Confident86.8Confident33 Ų3375.7 Ų75.717%0.17339%0.393CS..Hα-helixtrans-70.3-37.2177.6-62.1-178.4000111.5V212 V214 T222 Q227 M228 M229V212-L225 HydrophobicContact CB-CD1 3.99Å; V212-L225 HydrophobicContact CB-CD2 4.3Å; V212-L225 HydrophobicContact CG2-CD1 4.09Å; V212-L225 HydrophobicContact CG2-CD2 3.84Å; V214-L225 HydrophobicContact CG2-CB 3.62Å; V214-L225 HydrophobicContact CG2-CD1 3.74Å; V214-L225 HydrophobicContact CG2-CG 4.34Å; T222-L225 HydrophobicContact CG2-CD1 4.27Å; T222-L225 PolarHBondContact O-N 2.91Å; L225-Q227 VanDerWaalsContact C-N 3.33Å; L225-M228 WeakPolarHBondContact O-CB 3.23Å; L225-M228 PolarHBondContact O-N 3.36Å; L225-M229 WeakPolarHBondContact O-CG 3.32Å; L225-M229 PolarHBondContact O-N 2.97Å
226V86.1Confident86.3Confident30 Ų3077.4 Ų77.418%0.18240%0.397CS..Hα-helixtrans-67.6-36.2176.51760000111.1V214 E219 T222 P223 M229 T230V214-V226 HydrophobicContact CG1-CG2 4.25Å; E219-V226 HydrophobicContact CB-CG2 3.82Å; E219-V226 HydrophobicContact CG-CG2 4.26Å; E219-V226 WeakPolarHBondContact O-CG2 3.36Å; T222-V226 WeakPolarHBondContact O-CG2 3.34Å; T222-V226 PolarHBondContact O-N 3.14Å; T222-V226 VanDerWaalsContact O-N 3.17Å; P223-V226 PolarHBondContact O-N 3.2Å; V226-M229 PolarHBondContact O-N 2.96Å; V226-T230 WeakPolarHBondContact O-CB 3Å; V226-T230 PolarHBondContact O-N 3.31Å; V226-T230 PolarHBondContact O-OG1 3.06Å
227Q88.4Confident86.1Confident106 Ų10679.4 Ų79.450%0.49541%0.409SS..Hα-helixtrans-63.4-45.8172.2-173.759.354.100111P223 E224 L225 M229 T230 D231P223-Q227 WeakPolarHBondContact O-CB 3.22Å; P223-Q227 PolarHBondContact O-N 3.15Å; E224-Q227 PolarHBondContact O-N 3.34Å; L225-Q227 VanDerWaalsContact C-N 3.33Å; Q227-M229 VanDerWaalsContact C-N 3.31Å; Q227-M229 PolarHBondContact O-N 2.97Å; Q227-T230 WeakPolarHBondContact O-CA 3.49Å; Q227-T230 WeakPolarHBondContact O-CB 3.31Å; Q227-T230 PolarHBondContact O-N 2.79Å; Q227-D231 PolarHBondContact NE2-OD1 3.19Å; Q227-D231 VanDerWaalsContact O-CG 3.27Å; Q227-D231 PolarHBondContact O-N 2.97Å
228M86.9Confident85.7Confident64 Ų6482 Ų8232%0.31542%0.422SS..Hα-helixtrans-59.4-40.7176.2-167.4-173.5-58.300112.4L173 T176 I178 E224 L225 T230 D231L173-M228 HydrophobicContact CD1-CG 3.89Å; L173-M228 HydrophobicContact CD1-SD 3.73Å; T176-M228 HydrophobicContact CG2-SD 4.21Å; I178-M228 HydrophobicContact CD1-CB 4.47Å; I178-M228 HydrophobicContact CD1-CG 4.32Å; I178-M228 HydrophobicContact CD1-SD 3.85Å; E224-M228 PolarHBondContact O-N 3.09Å; E224-M228 VanDerWaalsContact O-N 3.09Å; L225-M228 WeakPolarHBondContact O-CB 3.23Å; L225-M228 PolarHBondContact O-N 3.36Å; M228-T230 VanDerWaalsContact C-N 3.34Å; M228-D231 PolarHBondContact O-N 3.05Å
229M90.4Very high85.2Confident2 Ų283.1 Ų83.11%0.0143%0.434CS..Hα-helixtrans-64.5-37.8172-70.4-175.575.300112W160 F163 L171 I178 W180 V214 L225 V226 Q227 D231 V232 L233W160-M229 HydrophobicContact CH2-CE 3.84Å; W160-M229 HydrophobicContact CZ2-CE 4.36Å; F163-M229 HydrophobicContact CE1-CE 4.1Å; F163-M229 HydrophobicContact CZ-CE 3.95Å; L171-M229 HydrophobicContact CD2-CG 4.05Å; I178-M229 HydrophobicContact CD1-CG 3.86Å; I178-M229 HydrophobicContact CG2-CG 4.26Å; I178-M229 HydrophobicContact CG2-SD 3.95Å; W180-M229 HydrophobicContact CB-CE 3.98Å; W180-M229 HydrophobicContact CG-CE 3.98Å; V214-M229 HydrophobicContact CG2-SD 4.45Å; L225-M229 WeakPolarHBondContact O-CG 3.32Å; L225-M229 PolarHBondContact O-N 2.97Å; V226-M229 PolarHBondContact O-N 2.96Å; Q227-M229 VanDerWaalsContact C-N 3.31Å; Q227-M229 PolarHBondContact O-N 2.97Å; M229-D231 VanDerWaalsContact C-N 3.35Å; M229-V232 PolarHBondContact O-N 3.16Å; M229-L233 HydrophobicContact CB-CD1 4.33Å; M229-L233 HydrophobicContact CE-CD1 3.75Å; M229-L233 VanDerWaalsContact O-CB 3.28Å; M229-L233 WeakPolarHBondContact O-CB 3.32Å; M229-L233 PolarHBondContact O-N 2.94Å
230T89.5Confident85.2Confident34 Ų3483.7 Ų83.721%0.20944%0.438CS..Hα-helixtrans-67-35.8179.2-59.20000112.1V226 Q227 M228 V232 G234V226-T230 WeakPolarHBondContact O-CB 3Å; V226-T230 PolarHBondContact O-N 3.31Å; V226-T230 PolarHBondContact O-OG1 3.06Å; Q227-T230 WeakPolarHBondContact O-CA 3.49Å; Q227-T230 WeakPolarHBondContact O-CB 3.31Å; Q227-T230 PolarHBondContact O-N 2.79Å; M228-T230 VanDerWaalsContact C-N 3.34Å; T230-V232 PolarHBondContact O-N 3.43Å; T230-G234 CarbonylContact O-C 3.52Å; T230-G234 WeakPolarHBondContact O-CA 3.21Å; T230-G234 PolarHBondContact O-N 2.93Å
231D87.6Confident85.3Confident120 Ų12080.2 Ų80.264%0.64242%0.423SS*.Hα-helixtrans-65-27177.6-62.8-17.8000112Q227 M228 M229Q227-D231 PolarHBondContact NE2-OD1 3.19Å; Q227-D231 VanDerWaalsContact O-CG 3.27Å; Q227-D231 PolarHBondContact O-N 2.97Å; M228-D231 PolarHBondContact O-N 3.05Å; M229-D231 VanDerWaalsContact C-N 3.35Å
232V87.6Confident85.1Confident54 Ų5483.6 Ų83.633%0.32743%0.432SS..Hα-helixtrans-99.5-46.1-177.8-179.80000112.6V140 V158 L171 L173 M229 T230V140-V232 HydrophobicContact CG1-CG1 3.66Å; V158-V232 HydrophobicContact CG1-CG1 4.07Å; L171-V232 HydrophobicContact CD1-CG1 4.33Å; L173-V232 HydrophobicContact CD1-CG2 4.34Å; L173-V232 HydrophobicContact CD2-CB 4.47Å; L173-V232 HydrophobicContact CD2-CG1 4.09Å; L173-V232 HydrophobicContact CD2-CG2 3.85Å; M229-V232 PolarHBondContact O-N 3.16Å; T230-V232 PolarHBondContact O-N 3.43Å
233L88.2Confident84.5Confident17 Ų1784.5 Ų84.59%0.08944%0.438CS..Hα-helixtrans-94.4-10.9-173.9-60.1171.1000113.1V158 W160 F163 L171 M229V158-L233 HydrophobicContact CG1-CD2 3.6Å; W160-L233 HydrophobicContact CD2-CB 4.48Å; W160-L233 HydrophobicContact CD2-CD1 4.38Å; W160-L233 HydrophobicContact CG-CB 4.33Å; W160-L233 HydrophobicContact CH2-CD1 4.4Å; W160-L233 HydrophobicContact CZ2-CD1 4.04Å; F163-L233 HydrophobicContact CE2-CD1 3.72Å; F163-L233 HydrophobicContact CE2-CD2 4.31Å; F163-L233 HydrophobicContact CZ-CD1 3.75Å; L171-L233 HydrophobicContact CD1-CD2 4.37Å; L171-L233 HydrophobicContact CD2-CD1 4.15Å; L171-L233 HydrophobicContact CD2-CG 4.31Å; M229-L233 HydrophobicContact CB-CD1 4.33Å; M229-L233 HydrophobicContact CE-CD1 3.75Å; M229-L233 VanDerWaalsContact O-CB 3.28Å; M229-L233 WeakPolarHBondContact O-CB 3.32Å; M229-L233 PolarHBondContact O-N 2.94Å
234G86.2Confident83.8Confident33 Ų3384.6 Ų84.634%0.3444%0.437SS..  trans80.7-174-171.300000113.4W160 T230 R236W160-G234 PolarHBondContact NE1-O 2.81Å; T230-G234 CarbonylContact O-C 3.52Å; T230-G234 WeakPolarHBondContact O-CA 3.21Å; T230-G234 PolarHBondContact O-N 2.93Å; G234-R236 PolarHBondContact O-N 2.97Å
235K83.6Confident82.5Confident190 Ų19079.6 Ų79.683%0.82642%0.421SS*.SBendtrans-61.8130.4-177.5-71.5-175.6179179.50111.3
236R81.4Confident80.8Confident83 Ų8379.4 Ų79.431%0.31342%0.42SS..PPolyproline II helixtrans-59.8127175.9-174-169.5177.790.7-22.4111.1W160 E219 G234W160-R236 HydrophobicContact CH2-CG 4.43Å; W160-R236 VanDerWaalsContact CH2-NH1 3.35Å; W160-R236 HydrophobicContact CZ2-CB 4.22Å; W160-R236 HydrophobicContact CZ2-CG 4.26Å; E219-R236 IonicContact OE1-CZ 3.78Å; E219-R236 IonicContact OE1-NH1 3.12Å; E219-R236 PolarHBondContact OE1-NH1 3.49Å; E219-R236 IonicContact OE1-NH2 2.81Å; E219-R236 PolarHBondContact OE1-NH2 3.4Å; E219-R236 WeakPolarHBondContact OE2-CD 3.16Å; E219-R236 IonicContact OE2-CZ 2.77Å; E219-R236 IonicContact OE2-NE 3.03Å; E219-R236 PolarHBondContact OE2-NE 3.16Å; E219-R236 IonicContact OE2-NH1 3.24Å; E219-R236 PolarHBondContact OE2-NH1 2.7Å; E219-R236 IonicContact OE2-NH2 2.65Å; E219-R236 PolarHBondContact OE2-NH2 3.1Å; E219-R236 VanDerWaalsContact OE2-NH2 3.09Å; G234-R236 PolarHBondContact O-N 2.97Å
237P82.4Confident79Confident51 Ų5182.9 Ų82.933%0.33144%0.437SS..PPolyproline II helixtrans-69.3156.2174.528.3-33.4000111.9W160 Q239 L240W160-P237 HydrophobicContact CB-CG 4.01Å; W160-P237 HydrophobicContact CG-CG 4.42Å; P237-Q239 VanDerWaalsContact C-N 3.29Å; P237-Q239 PolarHBondContact O-N 3.26Å; P237-L240 HydrophobicContact CG-CD2 4.26Å
238S73.7Confident76.9Confident128 Ų12884.2 Ų84.290%0.89544%0.442SS*.SBendtrans-69-24.8-178.251.30000113.9
239Q76.3Confident74.6Confident169 Ų16983.1 Ų83.179%0.7944%0.436SS*.SBendtrans-138.7134.4175.5-69.3-176.7-14.500110.2P237P237-Q239 VanDerWaalsContact C-N 3.29Å; P237-Q239 PolarHBondContact O-N 3.26Å
240L83.2Confident72.1Confident37 Ų3785 Ų8519%0.19445%0.446CS..PPolyproline II helixtrans-86162.7171.9-67.8174.9000110.7W160 F163 W180 P237W160-L240 HydrophobicContact CE3-CD2 4.12Å; F163-L240 HydrophobicContact CB-CD2 3.83Å; W180-L240 HydrophobicContact CH2-CD1 3.41Å; W180-L240 VanDerWaalsContact CH2-CD1 3.41Å; W180-L240 HydrophobicContact CZ2-CD1 3.79Å; W180-L240 HydrophobicContact CZ3-CD1 4.45Å; P237-L240 HydrophobicContact CG-CD2 4.26Å
241K85.6Confident69.7Low128 Ų12889.6 Ų89.656%0.55747%0.465SS*.BIsolated β-bridgetrans-59.2143.3172.6-69.2176.9176.1174.20110N161 N164 S165N161-K241 WeakPolarHBondContact O-CD 3.08Å; N161-K241 WeakPolarHBondContact O-CE 2.9Å; N161-K241 PolarHBondContact O-NZ 3.38Å; N164-K241 VanDerWaalsContact CA-O 3.28Å; N164-K241 WeakPolarHBondContact CA-O 3.27Å; N164-K241 HydrophobicContact CB-CB 4.06Å; N164-K241 WeakPolarHBondContact CB-O 3.34Å; S165-K241 PolarHBondContact N-O 2.85Å; S165-K241 VanDerWaalsContact N-O 3.09Å
242K81.2Confident67.5Low183 Ų18391.4 Ų91.480%0.79647%0.469SS*.PPolyproline II helixtrans-63.5151.2171.9-71.9-171.4179.2-175.70110.4V244K242-V244 PolarHBondContact O-N 3.18Å
243P74.3Confident65.4Low57 Ų5794.1 Ų94.137%0.3748%0.478SS..PPolyproline II helixtrans-61.2134.317724.6-32.4000110.7S165S165-P243 WeakPolarHBondContact OG-CD 3.04Å
244V70.8Confident63.2Low90 Ų9097.7 Ų97.755%0.54550%0.498SS..PPolyproline II helixtrans-84136.3167.7-178.80000107.6K146 K242 D246K146-V244 WeakPolarHBondContact CE-O 3.49Å; K146-V244 PolarHBondContact NZ-O 3.19Å; K242-V244 PolarHBondContact O-N 3.18Å; V244-D246 PolarHBondContact O-N 3.24Å
245S60.7Low61.2Low62 Ų62101.4 Ų101.443%0.43451%0.51SS..PPolyproline II helixtrans-56127.3178.2162.40000111.1D247 K248S245-D247 PolarHBondContact O-N 3.15Å; S245-D247 PolarHBondContact OG-N 2.96Å; S245-D247 PolarHBondContact OG-OD2 3.17Å; S245-K248 PolarHBondContact O-N 2.65Å
246D53.2Low60Low30 Ų3093.9 Ų93.916%0.1648%0.481CS..Hα-helixtrans-59.8-25.7179.7-61.1-26.5000112.6K146 R148 V244 K248 H249 D250K146-D246 VanDerWaalsContact CE-OD1 3.25Å; K146-D246 WeakPolarHBondContact CE-OD1 3.26Å; K146-D246 IonicContact NZ-OD1 3.53Å; K146-D246 PolarHBondContact NZ-OD1 3.07Å; R148-D246 HydrophobicContact CB-CB 4.28Å; V244-D246 PolarHBondContact O-N 3.24Å; D246-K248 PolarHBondContact O-N 3.24Å; D246-H249 PolarHBondContact O-N 3.26Å; D246-D250 PolarHBondContact O-N 2.81Å
247D48.3Very low59.4Low102 Ų10290.3 Ų90.355%0.54547%0.468SS..Hα-helixtrans-67.3-23.1-178-55.2-43.6000112.9S245 Q251S245-D247 PolarHBondContact O-N 3.15Å; S245-D247 PolarHBondContact OG-N 2.96Å; S245-D247 PolarHBondContact OG-OD2 3.17Å; D247-Q251 VanDerWaalsContact O-CG 3.32Å; D247-Q251 WeakPolarHBondContact O-CG 3.41Å
248K43.9Very low59.3Low135 Ų13591.9 Ų91.959%0.58747%0.468SS*.Hα-helixtrans-83.2-33.7176.1-71.3-170.4176.3-173.30113S245 D246 Q251 E252S245-K248 PolarHBondContact O-N 2.65Å; D246-K248 PolarHBondContact O-N 3.24Å; K248-Q251 PolarHBondContact O-N 3.38Å; K248-E252 PolarHBondContact O-N 2.83Å
249H39.5Very low59.8Low41 Ų4185.8 Ų85.819%0.1943%0.425CS..Hα-helixtrans-68.4-38179.2-173.578.9000111.5K146 S152 D246 Q251 E252 Q253K146-H249 HydrophobicContact CD-CB 4.38Å; S152-H249 PolarHBondContact OG-NE2 3.17Å; S152-H249 VanDerWaalsContact OG-NE2 3.11Å; D246-H249 PolarHBondContact O-N 3.26Å; H249-Q251 VanDerWaalsContact C-N 3.26Å; H249-Q251 PolarHBondContact O-N 3.26Å; H249-E252 PolarHBondContact O-N 2.77Å; H249-Q253 PolarHBondContact NE2-NE2 3.49Å; H249-Q253 PolarHBondContact O-N 2.9Å
250D38Very low60.3Low42 Ų4278.2 Ų78.223%0.22539%0.389CS..Hα-helixtrans-72.1-17.1176.2-71.8-12.8000113.1D246 N254D246-D250 PolarHBondContact O-N 2.81Å; D250-N254 PolarHBondContact O-ND2 3.31Å
251Q39.1Very low60.3Low130 Ų13078 Ų7861%0.60739%0.387SS*.Hα-helixtrans-81.4-32.9173.7-76.6175.5-3.100112.9D247 K248 H249D247-Q251 VanDerWaalsContact O-CG 3.32Å; D247-Q251 WeakPolarHBondContact O-CG 3.41Å; K248-Q251 PolarHBondContact O-N 3.38Å; H249-Q251 VanDerWaalsContact C-N 3.26Å; H249-Q251 PolarHBondContact O-N 3.26Å
252E40.1Very low59.8Low157 Ų15772 Ų7273%0.73436%0.361SS*.Hα-helixtrans-87.1-29.1-174.5-73.6179.8174.100114K248 H249 N254K248-E252 PolarHBondContact O-N 2.83Å; H249-E252 PolarHBondContact O-N 2.77Å; E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 3.19Å
253Q43.5Very low59.5Low111 Ų11166.5 Ų66.552%0.51934%0.336SS..SBendtrans-81.1-1177.8-71.7-164.9-13.400114.6S152 H249S152-Q253 PolarHBondContact OG-OE1 3.34Å; H249-Q253 PolarHBondContact NE2-NE2 3.49Å; H249-Q253 PolarHBondContact O-N 2.9Å
254N42.9Very low59.2Low92 Ų9267.7 Ų67.749%0.49234%0.34SS..  trans-112.345.8-166.4-118.7-18.2000112.8D250 E252 R634D250-N254 PolarHBondContact O-ND2 3.31Å; E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 3.19Å; N254-R634 PolarHBondContact O-NH1 2.87Å
255N43.3Very low59Low112 Ų11267.5 Ų67.560%0.59934%0.335SS*.PPolyproline II helixtrans-95.1145.3171.3-79.1-29.7000110.6C295N255-C295 PolarHBondContact O-SG 3.42Å
256S58.4Low59.1Low32 Ų3270.7 Ų70.722%0.22435%0.352CS..PPolyproline II helixtrans-78.2143-153.360.20000115.7R258 V276 C295S256-R258 WeakPolarHBondContact O-CG 3.47Å; S256-R258 PolarHBondContact O-N 3.01Å; S256-R258 PolarHBondContact OG-NE 3.1Å; S256-R258 VanDerWaalsContact OG-NE 3.12Å; S256-V276 WeakPolarHBondContact OG-CG1 3.45Å; S256-C295 PolarHBondContact O-SG 3.3Å
257V68.6Low59.4Low7 Ų772.1 Ų72.14%0.04238%0.375CS..PPolyproline II helixtrans-62.8128.5161.7-176.20000109.7Q277 L279 L292 D293 N294 L349V257-Q277 HydrophobicContact CB-CG 3.93Å; V257-Q277 HydrophobicContact CG2-CG 4.5Å; V257-Q277 PolarHBondContact O-N 2.93Å; V257-L279 HydrophobicContact CG1-CD1 4.11Å; V257-L292 HydrophobicContact CG1-CD2 3.48Å; V257-L292 VanDerWaalsContact CG1-CD2 3.48Å; V257-L292 HydrophobicContact CG1-CG 4.05Å; V257-D293 WeakPolarHBondContact CA-O 3.36Å; V257-N294 HydrophobicContact CB-CB 4.32Å; V257-N294 HydrophobicContact CG1-CB 4.02Å; V257-N294 HydrophobicContact CG2-CB 3.79Å; V257-N294 WeakPolarHBondContact CG2-OD1 3.36Å; V257-L349 HydrophobicContact CG2-CD2 4.35Å
258R80.5Confident60Low85 Ų8572.7 Ų72.732%0.32138%0.378SS..EExtended strand (participates in β ladder)trans-124.3143-175.3-63.7178.1-175.2-1507.5111.6S256 Y260 E273 V276 L292 D293S256-R258 WeakPolarHBondContact O-CG 3.47Å; S256-R258 PolarHBondContact O-N 3.01Å; S256-R258 PolarHBondContact OG-NE 3.1Å; S256-R258 VanDerWaalsContact OG-NE 3.12Å; R258-Y260 HydrophobicContact CB-CD2 4.31Å; R258-Y260 HydrophobicContact CB-CE2 3.5Å; R258-Y260 WeakPolarHBondContact CD-OH 3.39Å; R258-E273 WeakPolarHBondContact CD-OE2 3.22Å; R258-E273 IonicContact CZ-OE2 3.11Å; R258-E273 IonicContact NH1-OE1 2.63Å; R258-E273 IonicContact NH1-OE2 2.71Å; R258-E273 PolarHBondContact NH1-OE2 3Å; R258-V276 HydrophobicContact CG-CG1 4.42Å; R258-V276 HydrophobicContact CG-CG2 4.21Å; R258-L292 CarbonylContact O-C 3.57Å; R258-L292 WeakPolarHBondContact O-CA 3.36Å; R258-D293 PolarHBondContact N-O 3.25Å; R258-D293 VanDerWaalsContact N-O 3.1Å; R258-D293 PolarHBondContact O-N 2.8Å
259L84.6Confident61Low0 Ų070 Ų700%037%0.372CS..EExtended strand (participates in β ladder)trans-109.1130174.2-173.770.2000109.6V274 A275 L279 L283 L284 Y290 I291 L292L259-V274 PolarHBondContact O-N 2.62Å; L259-A275 HydrophobicContact CB-CB 4.46Å; L259-A275 PolarHBondContact N-O 3.12Å; L259-A275 PolarHBondContact O-N 2.58Å; L259-L279 HydrophobicContact CB-CD1 4.32Å; L259-L279 HydrophobicContact CB-CD2 3.78Å; L259-L283 HydrophobicContact CD2-CB 3.66Å; L259-L283 HydrophobicContact CD2-CD1 3.95Å; L259-L283 HydrophobicContact CD2-CG 4.45Å; L259-L284 HydrophobicContact CD1-CD2 4.25Å; L259-L284 HydrophobicContact CD2-CD2 4.33Å; L259-Y290 HydrophobicContact CD2-CD1 4.42Å; L259-Y290 HydrophobicContact CG-CD1 4.35Å; L259-I291 CarbonylContact C-O 3.12Å; L259-L292 HydrophobicContact CD1-CB 4.01Å; L259-L292 HydrophobicContact CD1-CD1 4.38Å; L259-L292 HydrophobicContact CD1-CG 4.43Å
260Y86.6Confident62.5Low10 Ų1070.2 Ų70.24%0.03938%0.376CS..EExtended strand (participates in β ladder)trans-119.5138.4179.5-63.4-87.6000110.2R258 I271 Q272 E273 Y290 I291 D293 Y322 K326R258-Y260 HydrophobicContact CB-CD2 4.31Å; R258-Y260 HydrophobicContact CB-CE2 3.5Å; R258-Y260 WeakPolarHBondContact CD-OH 3.39Å; Y260-I271 HydrophobicContact CD1-CG2 3.81Å; Y260-I271 HydrophobicContact CG-CG2 3.98Å; Y260-Q272 CarbonylContact C-O 3.15Å; Y260-Q272 WeakPolarHBondContact CA-O 3.49Å; Y260-E273 HydrophobicContact CD1-CB 3.89Å; Y260-E273 HydrophobicContact CD1-CG 4.23Å; Y260-E273 HydrophobicContact CE1-CB 3.61Å; Y260-E273 HydrophobicContact CE1-CG 3.75Å; Y260-E273 PolarHBondContact OH-OE2 2.6Å; Y260-Y290 CarbonylContact O-C 3.45Å; Y260-Y290 WeakPolarHBondContact O-CA 3.43Å; Y260-Y290 WeakPolarHBondContact O-CB 3.45Å; Y260-I291 PolarHBondContact N-O 2.84Å; Y260-I291 PolarHBondContact O-N 3.18Å; Y260-D293 HydrophobicContact CD2-CB 4.32Å; Y260-D293 HydrophobicContact CE2-CB 3.91Å; Y260-Y322 HydrophobicContact CD2-CE2 4.13Å; Y260-Y322 AromaticContact CD2-CZ 3.99Å; Y260-Y322 HydrophobicContact CE2-CE2 4.18Å; Y260-Y322 AromaticContact CE2-CZ 3.79Å; Y260-Y322 WeakPolarHBondContact CE2-OH 3.12Å; Y260-Y322 HydrophobicContact CG-CE2 4.36Å; Y260-K326 PolarHBondContact OH-NZ 2.99Å
261H82.6Confident64.4Low32 Ų3271.3 Ų71.315%0.14838%0.381CS..EExtended strand (participates in β ladder)trans-93.1132.3170.4177.6-136000108.7Y263 Q272 V274 D288 Y290H261-Y263 AromaticContact CE1-CD1 3.6Å; H261-Y263 AromaticContact CE1-CG 3.99Å; H261-Y263 AromaticContact ND1-CD1 3.4Å; H261-Y263 WeakPolarHBondContact ND1-CD1 3.22Å; H261-Y263 AromaticContact ND1-CE1 3.99Å; H261-Q272 PolarHBondContact N-O 3.02Å; H261-Q272 PolarHBondContact O-N 3.25Å; H261-V274 HydrophobicContact CB-CG2 3.29Å; H261-V274 VanDerWaalsContact N-CG2 3.3Å; H261-D288 VanDerWaalsContact NE2-CB 3.31Å; H261-D288 WeakPolarHBondContact NE2-CB 3.09Å; H261-D288 VanDerWaalsContact NE2-CG 3.3Å; H261-D288 IonicContact NE2-OD1 3.06Å; H261-D288 IonicContact NE2-OD2 3.33Å; H261-Y290 HydrophobicContact CB-CD1 4.07Å; H261-Y290 HydrophobicContact CB-CE1 3.93Å; H261-Y290 AromaticContact CD2-CE1 3.74Å; H261-Y290 AromaticContact CD2-CZ 3.95Å
262V75.8Confident66.3Low2 Ų270 Ų701%0.01238%0.375CS..EExtended strand (participates in β ladder)trans-119.9109.3-178.1-1700000109.6V269 V270 I271 C289 I291V262-V269 HydrophobicContact CG1-CG1 3.5Å; V262-V270 WeakPolarHBondContact CA-O 3.11Å; V262-I271 HydrophobicContact CG1-CG1 4.39Å; V262-I271 HydrophobicContact CG2-CG1 4.4Å; V262-C289 PolarHBondContact N-O 2.81Å; V262-I291 HydrophobicContact CG2-CB 4.28Å; V262-I291 HydrophobicContact CG2-CD1 3.57Å; V262-I291 HydrophobicContact CG2-CG1 3.63Å
263Y74.9Confident68.3Low67 Ų6766.5 Ų66.526%0.26336%0.359SS..EExtended strand (participates in β ladder)trans-129.4154.8179.964.9-82.3000111H261 N265 V270 Q272H261-Y263 AromaticContact CE1-CD1 3.6Å; H261-Y263 AromaticContact CE1-CG 3.99Å; H261-Y263 AromaticContact ND1-CD1 3.4Å; H261-Y263 WeakPolarHBondContact ND1-CD1 3.22Å; H261-Y263 AromaticContact ND1-CE1 3.99Å; Y263-N265 HydrophobicContact CD2-CB 4.29Å; Y263-N265 HydrophobicContact CE2-CB 3.97Å; Y263-V270 HydrophobicContact CD1-CB 4.37Å; Y263-V270 HydrophobicContact CD2-CB 4.44Å; Y263-V270 HydrophobicContact CE1-CB 3.95Å; Y263-V270 HydrophobicContact CE1-CG1 3.84Å; Y263-V270 HydrophobicContact CE2-CB 4.02Å; Y263-V270 HydrophobicContact CE2-CG1 4.39Å; Y263-V270 HydrophobicContact CE2-CG2 4.27Å; Y263-V270 PolarHBondContact N-O 3.44Å; Y263-V270 PolarHBondContact O-N 3.02Å; Y263-Q272 HydrophobicContact CE1-CB 4.25Å
264D68.3Low69.9Low83 Ų8364 Ų6444%0.44435%0.351SS..EExtended strand (participates in β ladder)trans-87.4122.8171.5-171.4-7000109.9G267 N268D264-G267 WeakPolarHBondContact OD1-CA 3.31Å; D264-G267 PolarHBondContact OD1-N 3.12Å; D264-N268 PolarHBondContact OD1-N 2.66Å
265N66.9Low71.1Confident86 Ų8660.5 Ų60.546%0.4634%0.335SS..EExtended strand (participates in β ladder)trans-114.3104.9168.7-171.427.9000109.1Y263 G267 N268 V270Y263-N265 HydrophobicContact CD2-CB 4.29Å; Y263-N265 HydrophobicContact CE2-CB 3.97Å; N265-G267 VanDerWaalsContact C-N 3.3Å; N265-G267 PolarHBondContact O-N 3.32Å; N265-N268 PolarHBondContact N-O 3.34Å; N265-N268 PolarHBondContact O-N 3.12Å; N265-V270 HydrophobicContact CB-CG2 3.81Å
266T61.9Low72.5Confident128 Ų12857.9 Ų57.979%0.78532%0.323SS*.THydrogen-bonded Turntrans56.835.7175.258.50000114.8
267G58.9Low72.4Confident61 Ų6161 Ų6163%0.62933%0.334SS*.THydrogen-bonded Turntrans91.11.9178.500000114.4D264 N265D264-G267 WeakPolarHBondContact OD1-CA 3.31Å; D264-G267 PolarHBondContact OD1-N 3.12Å; N265-G267 VanDerWaalsContact C-N 3.3Å; N265-G267 PolarHBondContact O-N 3.32Å
268N61.4Low71.7Confident114 Ų11464.9 Ų64.961%0.6136%0.359SS*.EExtended strand (participates in β ladder)trans-112.9128.7174.7-68.8-43.7000110.1D264 N265 V270D264-N268 PolarHBondContact OD1-N 2.66Å; N265-N268 PolarHBondContact N-O 3.34Å; N265-N268 PolarHBondContact O-N 3.12Å; N268-V270 PolarHBondContact O-N 3.41Å
269V65.4Low70.9Confident78 Ų7860.9 Ų60.947%0.47334%0.344SS..EExtended strand (participates in β ladder)trans-72.9118.5175.7-179.10000109.3V262 I271 R318V262-V269 HydrophobicContact CG1-CG1 3.5Å; V269-I271 HydrophobicContact CG1-CG1 4.4Å; V269-R318 HydrophobicContact CG1-CG 4.48Å
270V71.3Confident70.3Confident46 Ų4662.4 Ų62.428%0.27935%0.353SS..EExtended strand (participates in β ladder)trans-102.9127.7175.3-176.70000108.9V262 Y263 N265 N268V262-V270 WeakPolarHBondContact CA-O 3.11Å; Y263-V270 HydrophobicContact CD1-CB 4.37Å; Y263-V270 HydrophobicContact CD2-CB 4.44Å; Y263-V270 HydrophobicContact CE1-CB 3.95Å; Y263-V270 HydrophobicContact CE1-CG1 3.84Å; Y263-V270 HydrophobicContact CE2-CB 4.02Å; Y263-V270 HydrophobicContact CE2-CG1 4.39Å; Y263-V270 HydrophobicContact CE2-CG2 4.27Å; Y263-V270 PolarHBondContact N-O 3.44Å; Y263-V270 PolarHBondContact O-N 3.02Å; N265-V270 HydrophobicContact CB-CG2 3.81Å; N268-V270 PolarHBondContact O-N 3.41Å
271I76.6Confident69.7Low64 Ų6464.7 Ų64.733%0.32837%0.365SS..EExtended strand (participates in β ladder)trans-109.6108.3175.8-54.5-177.2000107.7Y260 V262 V269 Y322Y260-I271 HydrophobicContact CD1-CG2 3.81Å; Y260-I271 HydrophobicContact CG-CG2 3.98Å; V262-I271 HydrophobicContact CG1-CG1 4.39Å; V262-I271 HydrophobicContact CG2-CG1 4.4Å; V269-I271 HydrophobicContact CG1-CG1 4.4Å; I271-Y322 HydrophobicContact CD1-CD2 3.73Å; I271-Y322 HydrophobicContact CD1-CG 4.48Å; I271-Y322 HydrophobicContact CG2-CD2 4.06Å; I271-Y322 HydrophobicContact CG2-CE2 4.08Å
272Q79.4Confident69.5Low103 Ų10369 Ų6948%0.48139%0.389SS..EExtended strand (participates in β ladder)trans-110.8130.2-177.9-177.8175.94.200110.3Y260 H261 Y263 V274Y260-Q272 CarbonylContact C-O 3.15Å; Y260-Q272 WeakPolarHBondContact CA-O 3.49Å; H261-Q272 PolarHBondContact N-O 3.02Å; H261-Q272 PolarHBondContact O-N 3.25Å; Y263-Q272 HydrophobicContact CE1-CB 4.25Å; Q272-V274 PolarHBondContact O-N 3.27Å
273E81.9Confident69.6Low84 Ų8470.8 Ų70.839%0.39340%0.398SS..EExtended strand (participates in β ladder)trans-67.9125.2172.7-162.8170107.200109.6R258 Y260R258-E273 WeakPolarHBondContact CD-OE2 3.22Å; R258-E273 IonicContact CZ-OE2 3.11Å; R258-E273 IonicContact NH1-OE1 2.63Å; R258-E273 IonicContact NH1-OE2 2.71Å; R258-E273 PolarHBondContact NH1-OE2 3Å; Y260-E273 HydrophobicContact CD1-CB 3.89Å; Y260-E273 HydrophobicContact CD1-CG 4.23Å; Y260-E273 HydrophobicContact CE1-CB 3.61Å; Y260-E273 HydrophobicContact CE1-CG 3.75Å; Y260-E273 PolarHBondContact OH-OE2 2.6Å
274V76.9Confident70.1Confident59 Ų5968.5 Ų68.536%0.35839%0.39SS..EExtended strand (participates in β ladder)trans-99.9-44.6-177.8179.70000110.3L259 H261 Q272 L283 Y290L259-V274 PolarHBondContact O-N 2.62Å; H261-V274 HydrophobicContact CB-CG2 3.29Å; H261-V274 VanDerWaalsContact N-CG2 3.3Å; Q272-V274 PolarHBondContact O-N 3.27Å; V274-L283 HydrophobicContact CG1-CD2 4.22Å; V274-Y290 HydrophobicContact CG2-CD1 4.44Å; V274-Y290 HydrophobicContact CG2-CE1 4.31Å
275A70.1Confident71Confident18 Ų1872.7 Ų72.715%0.14940%0.4CS..EExtended strand (participates in β ladder)trans-158.1156.4-175.200000111.7L259 L279 L283L259-A275 HydrophobicContact CB-CB 4.46Å; L259-A275 PolarHBondContact N-O 3.12Å; L259-A275 PolarHBondContact O-N 2.58Å; A275-L279 HydrophobicContact CB-CD2 3.77Å; A275-L283 HydrophobicContact CB-CD1 3.63Å
276V72.3Confident71.9Confident57 Ų5770.2 Ų70.235%0.34539%0.389SS..EExtended strand (participates in β ladder)trans-114.5154.4165-1720000106.8S256 R258S256-V276 WeakPolarHBondContact OG-CG1 3.45Å; R258-V276 HydrophobicContact CG-CG1 4.42Å; R258-V276 HydrophobicContact CG-CG2 4.21Å
277Q55.7Low72.9Confident97 Ų9766.5 Ų66.545%0.45337%0.372SS..SBendtrans-44.5138.9176.6-96.6-179.5-2.500112.9V257 L279V257-Q277 HydrophobicContact CB-CG 3.93Å; V257-Q277 HydrophobicContact CG2-CG 4.5Å; V257-Q277 PolarHBondContact O-N 2.93Å; Q277-L279 HydrophobicContact CG-CG 4.29Å
278P53.5Low74.2Confident88 Ų8865.2 Ų65.257%0.57135%0.35SS*.SBendcis-79.9131.66.731.1-33.7000113.9K351P278-K351 HydrophobicContact CB-CB 4.49Å; P278-K351 HydrophobicContact CB-CD 4.26Å
279L63.5Low75.4Confident1 Ų159.9 Ų59.91%0.00532%0.322CS..BIsolated β-bridgetrans-87.1140.8178.2-56.1178.4000111.1V257 L259 A275 Q277 L283 L292 F350 K351V257-L279 HydrophobicContact CG1-CD1 4.11Å; L259-L279 HydrophobicContact CB-CD1 4.32Å; L259-L279 HydrophobicContact CB-CD2 3.78Å; A275-L279 HydrophobicContact CB-CD2 3.77Å; Q277-L279 HydrophobicContact CG-CG 4.29Å; L279-L283 HydrophobicContact CB-CD1 4.46Å; L279-L283 HydrophobicContact CD2-CD1 4.28Å; L279-L292 HydrophobicContact CD1-CD1 3.52Å; L279-L292 HydrophobicContact CD1-CG 4.05Å; L279-F350 HydrophobicContact CB-CD1 3.63Å; L279-F350 HydrophobicContact CB-CE1 3.88Å; L279-F350 HydrophobicContact CB-CG 4.18Å; L279-F350 HydrophobicContact CD1-CE1 4.46Å; L279-F350 HydrophobicContact CD1-CZ 4.43Å; L279-F350 CarbonylContact O-C 3.47Å; L279-F350 VanDerWaalsContact O-CA 3.27Å; L279-F350 WeakPolarHBondContact O-CA 3.2Å; L279-K351 PolarHBondContact O-N 3.01Å
280T73.1Confident76.7Confident32 Ų3256.6 Ų56.620%0.19630%0.301CS..  trans-119.4148.917658.80000111.4D282 L283T280-D282 WeakPolarHBondContact CB-OD1 3.27Å; T280-D282 PolarHBondContact O-N 2.94Å; T280-D282 PolarHBondContact OG1-OD1 2.57Å; T280-L283 VanDerWaalsContact O-CB 3.32Å; T280-L283 WeakPolarHBondContact O-CB 3.41Å; T280-L283 VanDerWaalsContact O-CG 3.31Å; T280-L283 WeakPolarHBondContact O-CG 3.34Å; T280-L283 PolarHBondContact O-N 2.66Å
281Q73.9Confident77.6Confident59 Ų5954.5 Ų54.528%0.27629%0.288SS..G310 helixtrans-63.8-26.9-171.4-170.6-178.910.400113L283 L284 W353 R354Q281-L283 PolarHBondContact O-N 3.18Å; Q281-L284 PolarHBondContact O-N 2.86Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; Q281-W353 HydrophobicContact CG-CD2 4.48Å; Q281-W353 HydrophobicContact CG-CE3 4.22Å; Q281-W353 HydrophobicContact CG-CH2 4.37Å; Q281-W353 HydrophobicContact CG-CZ3 4.18Å; Q281-R354 PolarHBondContact NE2-O 3.17Å; Q281-R354 PolarHBondContact OE1-O 2.96Å
282D77.4Confident78.1Confident123 Ų12351.4 Ų51.466%0.65827%0.272SS*.G310 helixtrans-67.4-15.217859.5-67.7000114T280 L284T280-D282 WeakPolarHBondContact CB-OD1 3.27Å; T280-D282 PolarHBondContact O-N 2.94Å; T280-D282 PolarHBondContact OG1-OD1 2.57Å; D282-L284 PolarHBondContact O-N 2.81Å
283L79.4Confident78.3Confident39 Ų3946.7 Ų46.720%0.20425%0.25CS..G310 helixtrans-65.7-21.4171.4-60.9173.1000112.5L259 V274 A275 L279 T280 Q281 Y290L259-L283 HydrophobicContact CD2-CB 3.66Å; L259-L283 HydrophobicContact CD2-CD1 3.95Å; L259-L283 HydrophobicContact CD2-CG 4.45Å; V274-L283 HydrophobicContact CG1-CD2 4.22Å; A275-L283 HydrophobicContact CB-CD1 3.63Å; L279-L283 HydrophobicContact CB-CD1 4.46Å; L279-L283 HydrophobicContact CD2-CD1 4.28Å; T280-L283 VanDerWaalsContact O-CB 3.32Å; T280-L283 WeakPolarHBondContact O-CB 3.41Å; T280-L283 VanDerWaalsContact O-CG 3.31Å; T280-L283 WeakPolarHBondContact O-CG 3.34Å; T280-L283 PolarHBondContact O-N 2.66Å; Q281-L283 PolarHBondContact O-N 3.18Å; L283-Y290 VanDerWaalsContact O-CE1 3.31Å; L283-Y290 WeakPolarHBondContact O-CE1 3.44Å; L283-Y290 PolarHBondContact O-OH 2.91Å; L283-Y290 VanDerWaalsContact O-OH 3.09Å
284L85.2Confident77.9Confident18 Ų1845 Ų459%0.09424%0.244CC..  trans-93.5103.1-178.5-59.7174.6000110.9L259 Q281 D282 Y290 W302 F346 F350 W353L259-L284 HydrophobicContact CD1-CD2 4.25Å; L259-L284 HydrophobicContact CD2-CD2 4.33Å; Q281-L284 PolarHBondContact O-N 2.86Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; D282-L284 PolarHBondContact O-N 2.81Å; L284-Y290 HydrophobicContact CD2-CD1 4.37Å; L284-Y290 HydrophobicContact CD2-CD2 3.7Å; L284-Y290 HydrophobicContact CD2-CE2 4.31Å; L284-Y290 HydrophobicContact CD2-CG 3.73Å; L284-W302 HydrophobicContact CB-CD2 4.3Å; L284-W302 HydrophobicContact CB-CE3 4.22Å; L284-W302 HydrophobicContact CB-CH2 3.9Å; L284-W302 HydrophobicContact CB-CZ2 4Å; L284-W302 HydrophobicContact CB-CZ3 4.03Å; L284-W302 HydrophobicContact CD1-CD2 4.13Å; L284-W302 HydrophobicContact CD1-CG 4.18Å; L284-W302 HydrophobicContact CD1-CZ2 4.42Å; L284-W302 HydrophobicContact CD2-CB 4.4Å; L284-W302 HydrophobicContact CD2-CD2 4.16Å; L284-W302 HydrophobicContact CD2-CE3 4.2Å; L284-W302 HydrophobicContact CD2-CG 4.3Å; L284-W302 HydrophobicContact CG-CD2 4.44Å; L284-F346 HydrophobicContact CD1-CE1 3.75Å; L284-F346 HydrophobicContact CD1-CZ 3.85Å; L284-F346 HydrophobicContact CD2-CZ 4.47Å; L284-F350 HydrophobicContact CD1-CE1 3.95Å; L284-F350 HydrophobicContact CD1-CZ 3.77Å; L284-F350 HydrophobicContact CD2-CZ 4.38Å; L284-F350 HydrophobicContact CG-CE1 4.14Å; L284-F350 HydrophobicContact CG-CZ 4.24Å; L284-W353 HydrophobicContact CD1-CH2 3.84Å; L284-W353 HydrophobicContact CD1-CZ3 3.86Å
285R85.6Confident77.5Confident172 Ų17244.5 Ų44.565%0.64924%0.243SC*.  trans-88.1129.5175.3-64.8-179.6168.3-168-3111.2A287 D288 Y290 W302R285-A287 PolarHBondContact O-N 3.44Å; R285-D288 WeakPolarHBondContact CB-OD2 3.4Å; R285-D288 PolarHBondContact O-N 2.82Å; R285-Y290 HydrophobicContact CB-CE2 4.47Å; R285-Y290 VanDerWaalsContact CB-OH 3.32Å; R285-Y290 WeakPolarHBondContact CB-OH 3.16Å; R285-Y290 WeakPolarHBondContact CG-OH 3.44Å; R285-Y290 VanDerWaalsContact N-CE2 3.33Å; R285-Y290 PolarHBondContact N-OH 3.38Å; R285-Y290 VanDerWaalsContact N-OH 3.1Å; R285-W302 WeakPolarHBondContact O-CZ3 3.21Å
286S86.2Confident77.1Confident34 Ų3444.2 Ų44.224%0.23824%0.241CC..THydrogen-bonded Turntrans-56.1-20.3177.6-53.80000114.6D288 G304 K305 K306 A307 E339S286-D288 VanDerWaalsContact C-N 3.3Å; S286-G304 CarbonylContact O-C 3.52Å; S286-G304 VanDerWaalsContact O-CA 3.22Å; S286-G304 WeakPolarHBondContact O-CA 3.24Å; S286-K305 PolarHBondContact O-N 2.79Å; S286-K306 CarbonylContact O-C 3.59Å; S286-K306 VanDerWaalsContact O-CA 3.26Å; S286-K306 WeakPolarHBondContact O-CA 3.49Å; S286-K306 VanDerWaalsContact O-CB 3.32Å; S286-K306 WeakPolarHBondContact O-CB 3.35Å; S286-K306 PolarHBondContact O-N 2.94Å; S286-A307 PolarHBondContact O-N 2.94Å; S286-E339 WeakPolarHBondContact CA-OE2 3.41Å; S286-E339 WeakPolarHBondContact CB-OE2 3.48Å; S286-E339 VanDerWaalsContact OG-CD 3.23Å; S286-E339 PolarHBondContact OG-OE1 2.89Å; S286-E339 PolarHBondContact OG-OE2 3.33Å
287A84.1Confident76.6Confident50 Ų5045 Ų4541%0.41325%0.25SC..THydrogen-bonded Turntrans-79.7-10.6179.700000113.7R285 A307R285-A287 PolarHBondContact O-N 3.44Å; A287-A307 WeakPolarHBondContact O-CA 3.12Å
288D85.1Confident77.4Confident34 Ų3441.8 Ų41.818%0.18224%0.235CC..SBendtrans-131.3170.9-164.6-57.5-48.8000112.4H261 R285 S286 Y290 G304H261-D288 VanDerWaalsContact NE2-CB 3.31Å; H261-D288 WeakPolarHBondContact NE2-CB 3.09Å; H261-D288 VanDerWaalsContact NE2-CG 3.3Å; H261-D288 IonicContact NE2-OD1 3.06Å; H261-D288 IonicContact NE2-OD2 3.33Å; R285-D288 WeakPolarHBondContact CB-OD2 3.4Å; R285-D288 PolarHBondContact O-N 2.82Å; S286-D288 VanDerWaalsContact C-N 3.3Å; D288-Y290 HydrophobicContact CB-CE2 3.79Å; D288-G304 WeakPolarHBondContact O-CA 3.45Å; D288-G304 PolarHBondContact O-N 2.88Å
289C88Confident78.9Confident2 Ų237.6 Ų37.61%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-116.3141.4173.5-72.10000110.7V262 W302V262-C289 PolarHBondContact N-O 2.81Å; C289-W302 VanDerWaalsContact CA-O 3.31Å; C289-W302 WeakPolarHBondContact CA-O 3.3Å
290Y90.9Very high80.1Confident9 Ų937.6 Ų37.64%0.03521%0.208CC..EExtended strand (participates in β ladder)trans-128145.2-176.5-62.1-95.3000111.7L259 Y260 H261 V274 L283 L284 R285 D288 V301 W302L259-Y290 HydrophobicContact CD2-CD1 4.42Å; L259-Y290 HydrophobicContact CG-CD1 4.35Å; Y260-Y290 CarbonylContact O-C 3.45Å; Y260-Y290 WeakPolarHBondContact O-CA 3.43Å; Y260-Y290 WeakPolarHBondContact O-CB 3.45Å; H261-Y290 HydrophobicContact CB-CD1 4.07Å; H261-Y290 HydrophobicContact CB-CE1 3.93Å; H261-Y290 AromaticContact CD2-CE1 3.74Å; H261-Y290 AromaticContact CD2-CZ 3.95Å; V274-Y290 HydrophobicContact CG2-CD1 4.44Å; V274-Y290 HydrophobicContact CG2-CE1 4.31Å; L283-Y290 VanDerWaalsContact O-CE1 3.31Å; L283-Y290 WeakPolarHBondContact O-CE1 3.44Å; L283-Y290 PolarHBondContact O-OH 2.91Å; L283-Y290 VanDerWaalsContact O-OH 3.09Å; L284-Y290 HydrophobicContact CD2-CD1 4.37Å; L284-Y290 HydrophobicContact CD2-CD2 3.7Å; L284-Y290 HydrophobicContact CD2-CE2 4.31Å; L284-Y290 HydrophobicContact CD2-CG 3.73Å; R285-Y290 HydrophobicContact CB-CE2 4.47Å; R285-Y290 VanDerWaalsContact CB-OH 3.32Å; R285-Y290 WeakPolarHBondContact CB-OH 3.16Å; R285-Y290 WeakPolarHBondContact CG-OH 3.44Å; R285-Y290 VanDerWaalsContact N-CE2 3.33Å; R285-Y290 PolarHBondContact N-OH 3.38Å; R285-Y290 VanDerWaalsContact N-OH 3.1Å; D288-Y290 HydrophobicContact CB-CE2 3.79Å; Y290-V301 CarbonylContact O-C 3.6Å; Y290-V301 VanDerWaalsContact O-CA 3.26Å; Y290-V301 WeakPolarHBondContact O-CA 3.37Å; Y290-V301 WeakPolarHBondContact O-CG1 3.34Å; Y290-W302 AromaticContact CD2-CE3 3.79Å; Y290-W302 HydrophobicContact CD2-CE3 3.79Å; Y290-W302 HydrophobicContact CD2-CZ3 4.12Å; Y290-W302 HydrophobicContact CE2-CE3 4.32Å; Y290-W302 HydrophobicContact CE2-CZ3 4.18Å; Y290-W302 PolarHBondContact N-O 3.33Å; Y290-W302 PolarHBondContact O-N 3.35Å
291I90.8Very high80.9Confident1 Ų136.2 Ų36.21%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-107.9125.1170.2-67.1175.3000108.3L259 Y260 V262 V299 M300 V301 Y322L259-I291 CarbonylContact C-O 3.12Å; Y260-I291 PolarHBondContact N-O 2.84Å; Y260-I291 PolarHBondContact O-N 3.18Å; V262-I291 HydrophobicContact CG2-CB 4.28Å; V262-I291 HydrophobicContact CG2-CD1 3.57Å; V262-I291 HydrophobicContact CG2-CG1 3.63Å; I291-V299 HydrophobicContact CG2-CG1 3.67Å; I291-M300 CarbonylContact C-O 3.15Å; I291-M300 WeakPolarHBondContact CA-O 3.44Å; I291-V301 HydrophobicContact CG1-CG2 4.23Å; I291-Y322 HydrophobicContact CD1-CD2 4.34Å; I291-Y322 HydrophobicContact CD1-CG 4.11Å; I291-Y322 HydrophobicContact CG2-CD1 4.08Å; I291-Y322 HydrophobicContact CG2-CE1 4.17Å; I291-Y322 HydrophobicContact CG2-CG 4.32Å
292L86.6Confident81.7Confident0 Ų033.8 Ų33.80%019%0.188CC..EExtended strand (participates in β ladder)trans-107117.3172.5-171.5157.9000108.4V257 R258 L259 L279 M300 F346 L349 F350V257-L292 HydrophobicContact CG1-CD2 3.48Å; V257-L292 VanDerWaalsContact CG1-CD2 3.48Å; V257-L292 HydrophobicContact CG1-CG 4.05Å; R258-L292 CarbonylContact O-C 3.57Å; R258-L292 WeakPolarHBondContact O-CA 3.36Å; L259-L292 HydrophobicContact CD1-CB 4.01Å; L259-L292 HydrophobicContact CD1-CD1 4.38Å; L259-L292 HydrophobicContact CD1-CG 4.43Å; L279-L292 HydrophobicContact CD1-CD1 3.52Å; L279-L292 HydrophobicContact CD1-CG 4.05Å; L292-M300 HydrophobicContact CB-CB 4.33Å; L292-M300 HydrophobicContact CD2-SD 4.37Å; L292-M300 PolarHBondContact N-O 3.45Å; L292-M300 PolarHBondContact O-N 2.91Å; L292-F346 HydrophobicContact CB-CE2 4.18Å; L292-F346 HydrophobicContact CD1-CD2 4.22Å; L292-F346 HydrophobicContact CD1-CE2 3.86Å; L292-F346 HydrophobicContact CD1-CZ 4.48Å; L292-L349 HydrophobicContact CD1-CB 4.3Å; L292-L349 HydrophobicContact CD1-CD1 4.46Å; L292-L349 HydrophobicContact CD2-CD1 3.54Å; L292-F350 HydrophobicContact CD1-CE2 3.63Å; L292-F350 HydrophobicContact CD1-CZ 3.74Å
293D84.8Confident82.3Confident3 Ų328 Ų282%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-100.9110.6-174.8-175.4-1.5000111.5V257 R258 Y260 C295 G296 Y322 Y328V257-D293 WeakPolarHBondContact CA-O 3.36Å; R258-D293 PolarHBondContact N-O 3.25Å; R258-D293 VanDerWaalsContact N-O 3.1Å; R258-D293 PolarHBondContact O-N 2.8Å; Y260-D293 HydrophobicContact CD2-CB 4.32Å; Y260-D293 HydrophobicContact CE2-CB 3.91Å; D293-C295 PolarHBondContact O-N 2.97Å; D293-C295 VanDerWaalsContact O-N 3.12Å; D293-C295 WeakPolarHBondContact OD1-CA 3.24Å; D293-C295 PolarHBondContact OD1-N 2.65Å; D293-G296 PolarHBondContact OD1-N 3.03Å; D293-Y322 HydrophobicContact CB-CE1 4.04Å; D293-Y322 WeakPolarHBondContact OD2-CE1 3.48Å; D293-Y322 PolarHBondContact OD2-OH 2.77Å; D293-Y328 WeakPolarHBondContact OD2-CE2 3.48Å; D293-Y328 PolarHBondContact OD2-OH 2.85Å
294N72.9Confident82.5Confident49 Ų4926.1 Ų26.126%0.26215%0.147SC..  trans-63.823.2169174.6100.2000116.9V257 G296 S297 N298V257-N294 HydrophobicContact CB-CB 4.32Å; V257-N294 HydrophobicContact CG1-CB 4.02Å; V257-N294 HydrophobicContact CG2-CB 3.79Å; V257-N294 WeakPolarHBondContact CG2-OD1 3.36Å; N294-G296 VanDerWaalsContact C-N 3.26Å; N294-G296 PolarHBondContact O-N 2.7Å; N294-S297 PolarHBondContact ND2-OG 3.27Å; N294-S297 WeakPolarHBondContact O-CB 3.35Å; N294-S297 PolarHBondContact O-N 3.1Å; N294-S297 VanDerWaalsContact O-N 3.12Å; N294-S297 PolarHBondContact O-OG 3.06Å; N294-N298 WeakPolarHBondContact CA-O 3.5Å; N294-N298 PolarHBondContact N-O 2.71Å
295C67.9Low82.4Confident49 Ų4931.6 Ų31.633%0.33117%0.17SC..THydrogen-bonded Turntrans50.143.8-162.7-76.60000113.9N255 S256 D293 S297N255-C295 PolarHBondContact O-SG 3.42Å; S256-C295 PolarHBondContact O-SG 3.3Å; D293-C295 PolarHBondContact O-N 2.97Å; D293-C295 VanDerWaalsContact O-N 3.12Å; D293-C295 WeakPolarHBondContact OD1-CA 3.24Å; D293-C295 PolarHBondContact OD1-N 2.65Å; C295-S297 PolarHBondContact O-N 2.88Å; C295-S297 VanDerWaalsContact O-N 3.12Å
296G62.3Low82.3Confident11 Ų1131.4 Ų31.411%0.11317%0.174CC..THydrogen-bonded Turntrans72.2-1.8179.400000115.6D293 N294 T332D293-G296 PolarHBondContact OD1-N 3.03Å; N294-G296 VanDerWaalsContact C-N 3.26Å; N294-G296 PolarHBondContact O-N 2.7Å; G296-T332 WeakPolarHBondContact O-CB 3.37Å; G296-T332 WeakPolarHBondContact O-CG2 3.18Å; G296-T332 PolarHBondContact O-OG1 3.41Å
297S61.9Low82.2Confident75 Ų7530.2 Ų30.252%0.52417%0.166SC..SBendtrans-74.4-36.3169.6700000111.9N294 C295N294-S297 PolarHBondContact ND2-OG 3.27Å; N294-S297 WeakPolarHBondContact O-CB 3.35Å; N294-S297 PolarHBondContact O-N 3.1Å; N294-S297 VanDerWaalsContact O-N 3.12Å; N294-S297 PolarHBondContact O-OG 3.06Å; C295-S297 PolarHBondContact O-N 2.88Å; C295-S297 VanDerWaalsContact O-N 3.12Å
298N71.5Confident82.1Confident28 Ų2830.4 Ų30.415%0.1516%0.164CC..EExtended strand (participates in β ladder)trans-155.4134.7176.3-176.5-23.3000109.2N294 M300N294-N298 WeakPolarHBondContact CA-O 3.5Å; N294-N298 PolarHBondContact N-O 2.71Å; N298-M300 HydrophobicContact CB-CE 4.43Å; N298-M300 VanDerWaalsContact ND2-CE 3.29Å; N298-M300 WeakPolarHBondContact ND2-CE 3.45Å; N298-M300 WeakPolarHBondContact OD1-CG 3.49Å
299V86.7Confident81.8Confident0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-113.5117.5172.7177.10000109.1I291 A319 Y322 I323 T332 S333 V334 E335I291-V299 HydrophobicContact CG2-CG1 3.67Å; V299-A319 HydrophobicContact CG1-CB 4.31Å; V299-Y322 HydrophobicContact CG1-CD1 4.14Å; V299-Y322 HydrophobicContact CG2-CD1 4.43Å; V299-Y322 HydrophobicContact CG2-CE1 4.47Å; V299-I323 HydrophobicContact CB-CD1 4.31Å; V299-I323 HydrophobicContact CB-CG1 4.43Å; V299-I323 HydrophobicContact CG2-CD1 4.15Å; V299-I323 HydrophobicContact CG2-CG1 3.87Å; V299-T332 HydrophobicContact CG2-CG2 3.96Å; V299-S333 PolarHBondContact N-O 2.68Å; V299-V334 VanDerWaalsContact O-CA 3.24Å; V299-V334 WeakPolarHBondContact O-CA 3.43Å; V299-E335 PolarHBondContact O-N 3.31Å
300M87Confident81.4Confident1 Ų141.7 Ų41.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-106.8138.9-178.5-56172.6-174.200110.4I291 L292 N298 E335 M337 M345 F346 L349I291-M300 CarbonylContact C-O 3.15Å; I291-M300 WeakPolarHBondContact CA-O 3.44Å; L292-M300 HydrophobicContact CB-CB 4.33Å; L292-M300 HydrophobicContact CD2-SD 4.37Å; L292-M300 PolarHBondContact N-O 3.45Å; L292-M300 PolarHBondContact O-N 2.91Å; N298-M300 HydrophobicContact CB-CE 4.43Å; N298-M300 VanDerWaalsContact ND2-CE 3.29Å; N298-M300 WeakPolarHBondContact ND2-CE 3.45Å; N298-M300 WeakPolarHBondContact OD1-CG 3.49Å; M300-E335 CarbonylContact C-O 3.54Å; M300-E335 VanDerWaalsContact CA-O 3.26Å; M300-E335 WeakPolarHBondContact CA-O 3.3Å; M300-E335 HydrophobicContact CG-CB 4.23Å; M300-M337 HydrophobicContact CB-CE 4.2Å; M300-M345 HydrophobicContact CE-CB 4.37Å; M300-M345 HydrophobicContact CE-CG 3.72Å; M300-F346 HydrophobicContact CB-CD2 3.95Å; M300-F346 HydrophobicContact CB-CE2 4.32Å; M300-F346 HydrophobicContact CG-CD2 4.48Å; M300-F346 HydrophobicContact SD-CB 4.02Å; M300-F346 HydrophobicContact SD-CD2 3.74Å; M300-F346 HydrophobicContact SD-CG 4.38Å; M300-L349 HydrophobicContact CE-CD1 3.86Å; M300-L349 HydrophobicContact SD-CD1 3.85Å
301V91.3Very high80.7Confident4 Ų442.5 Ų42.52%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-117.6126.7176.2-169.10000110Y290 I291 A315 A319 E335 V336 M337Y290-V301 CarbonylContact O-C 3.6Å; Y290-V301 VanDerWaalsContact O-CA 3.26Å; Y290-V301 WeakPolarHBondContact O-CA 3.37Å; Y290-V301 WeakPolarHBondContact O-CG1 3.34Å; I291-V301 HydrophobicContact CG1-CG2 4.23Å; V301-A315 HydrophobicContact CG1-CB 4.07Å; V301-A319 HydrophobicContact CG2-CB 3.63Å; V301-E335 PolarHBondContact N-O 3.09Å; V301-V336 HydrophobicContact CB-CB 4.39Å; V301-V336 HydrophobicContact CB-CG1 4.19Å; V301-V336 HydrophobicContact CB-CG2 4.06Å; V301-V336 HydrophobicContact CG2-CG2 4.06Å; V301-V336 WeakPolarHBondContact O-CA 3.43Å; V301-M337 PolarHBondContact O-N 2.8Å
302W91Very high80.2Confident7 Ų745.9 Ų45.93%0.02723%0.233CC..EExtended strand (participates in β ladder)trans-105.7123.1175.6-173.794.1000110.3L284 R285 C289 Y290 M337 E339 E342 F346L284-W302 HydrophobicContact CB-CD2 4.3Å; L284-W302 HydrophobicContact CB-CE3 4.22Å; L284-W302 HydrophobicContact CB-CH2 3.9Å; L284-W302 HydrophobicContact CB-CZ2 4Å; L284-W302 HydrophobicContact CB-CZ3 4.03Å; L284-W302 HydrophobicContact CD1-CD2 4.13Å; L284-W302 HydrophobicContact CD1-CG 4.18Å; L284-W302 HydrophobicContact CD1-CZ2 4.42Å; L284-W302 HydrophobicContact CD2-CB 4.4Å; L284-W302 HydrophobicContact CD2-CD2 4.16Å; L284-W302 HydrophobicContact CD2-CE3 4.2Å; L284-W302 HydrophobicContact CD2-CG 4.3Å; L284-W302 HydrophobicContact CG-CD2 4.44Å; R285-W302 WeakPolarHBondContact O-CZ3 3.21Å; C289-W302 VanDerWaalsContact CA-O 3.31Å; C289-W302 WeakPolarHBondContact CA-O 3.3Å; Y290-W302 AromaticContact CD2-CE3 3.79Å; Y290-W302 HydrophobicContact CD2-CE3 3.79Å; Y290-W302 HydrophobicContact CD2-CZ3 4.12Å; Y290-W302 HydrophobicContact CE2-CE3 4.32Å; Y290-W302 HydrophobicContact CE2-CZ3 4.18Å; Y290-W302 PolarHBondContact N-O 3.33Å; Y290-W302 PolarHBondContact O-N 3.35Å; W302-M337 HydrophobicContact CB-CG 4.47Å; W302-E339 HydrophobicContact CH2-CB 3.89Å; W302-E339 HydrophobicContact CH2-CG 4.06Å; W302-E339 HydrophobicContact CZ2-CB 3.38Å; W302-E339 HydrophobicContact CZ2-CG 3.55Å; W302-E342 PolarHBondContact NE1-OE1 3.29Å; W302-F346 HydrophobicContact CB-CE1 4.49Å; W302-F346 HydrophobicContact CB-CE2 4.16Å; W302-F346 HydrophobicContact CB-CZ 3.69Å; W302-F346 AromaticContact CD1-CE1 3.6Å; W302-F346 AromaticContact CD1-CZ 3.68Å; W302-F346 HydrophobicContact CG-CE1 4.27Å; W302-F346 AromaticContact CG-CZ 3.91Å; W302-F346 HydrophobicContact CG-CZ 3.91Å
303K89.6Confident79.9Confident1 Ų151.3 Ų51.30%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-101.3110.6-179-59.1179.4-62.5-170.90110.2D89 R312 A315 V336 M337 S338 E339D89-K303 IonicContact OD2-NZ 3.32Å; D89-K303 PolarHBondContact OD2-NZ 3.5Å; D89-K303 VanDerWaalsContact OD2-NZ 3.09Å; K303-R312 HydrophobicContact CB-CG 4.31Å; K303-R312 HydrophobicContact CD-CB 4.32Å; K303-A315 HydrophobicContact CD-CB 3.86Å; K303-A315 HydrophobicContact CG-CB 3.99Å; K303-V336 HydrophobicContact CD-CG1 3.74Å; K303-V336 HydrophobicContact CG-CG1 4.08Å; K303-M337 WeakPolarHBondContact CB-O 3.45Å; K303-M337 PolarHBondContact N-O 2.78Å; K303-S338 VanDerWaalsContact CE-OG 3.22Å; K303-S338 WeakPolarHBondContact CE-OG 3.22Å; K303-E339 PolarHBondContact O-N 3.36Å
304G84.1Confident79.8Confident0 Ų054.4 Ų54.40%027%0.268CS..  trans-62.1143.2174.600000112.7S286 D288 K306 A307S286-G304 CarbonylContact O-C 3.52Å; S286-G304 VanDerWaalsContact O-CA 3.22Å; S286-G304 WeakPolarHBondContact O-CA 3.24Å; D288-G304 WeakPolarHBondContact O-CA 3.45Å; D288-G304 PolarHBondContact O-N 2.88Å; G304-K306 PolarHBondContact O-N 3.3Å; G304-A307 WeakPolarHBondContact O-CB 3.45Å; G304-A307 PolarHBondContact O-N 3.31Å
305K82.9Confident80.3Confident133 Ų13352.2 Ų52.258%0.57826%0.257SS*.THydrogen-bonded Turntrans-61.5-28.8-179.4-90.2170-167175.40113.8S286 E339S286-K305 PolarHBondContact O-N 2.79Å; K305-E339 WeakPolarHBondContact CB-OE2 3.34Å; K305-E339 HydrophobicContact CD-CB 4.4Å; K305-E339 HydrophobicContact CD-CG 4.12Å; K305-E339 WeakPolarHBondContact CE-O 3.42Å; K305-E339 HydrophobicContact CG-CB 4.01Å; K305-E339 HydrophobicContact CG-CG 4.23Å; K305-E339 PolarHBondContact N-OE2 2.89Å
306K82.6Confident81Confident169 Ų16950.5 Ų50.574%0.73524%0.244SC*.THydrogen-bonded Turntrans-100.40.1-178.7-57.3179.9-179.9178.70113S286 G304S286-K306 CarbonylContact O-C 3.59Å; S286-K306 VanDerWaalsContact O-CA 3.26Å; S286-K306 WeakPolarHBondContact O-CA 3.49Å; S286-K306 VanDerWaalsContact O-CB 3.32Å; S286-K306 WeakPolarHBondContact O-CB 3.35Å; S286-K306 PolarHBondContact O-N 2.94Å; G304-K306 PolarHBondContact O-N 3.3Å
307A83.8Confident82Confident8 Ų855.3 Ų55.37%0.06626%0.262CS..SBendtrans-62.9153.3174.400000111.9S286 A287 G304 R312S286-A307 PolarHBondContact O-N 2.94Å; A287-A307 WeakPolarHBondContact O-CA 3.12Å; G304-A307 WeakPolarHBondContact O-CB 3.45Å; G304-A307 PolarHBondContact O-N 3.31Å; A307-R312 HydrophobicContact CB-CG 3.98Å
308S82.1Confident83Confident54 Ų5452.8 Ų52.838%0.37824%0.241SC..  trans-62.6152.5-176.773.10000111.2D310 E311 R312S308-D310 PolarHBondContact O-N 3.07Å; S308-E311 WeakPolarHBondContact CB-OE2 3.32Å; S308-E311 PolarHBondContact N-OE2 2.9Å; S308-E311 PolarHBondContact O-N 2.99Å; S308-E311 VanDerWaalsContact OG-CB 3.3Å; S308-E311 WeakPolarHBondContact OG-CB 3.21Å; S308-E311 WeakPolarHBondContact OG-CG 3.36Å; S308-E311 PolarHBondContact OG-N 3.05Å; S308-E311 PolarHBondContact OG-OE2 3.41Å; S308-R312 WeakPolarHBondContact O-CG 3.13Å; S308-R312 PolarHBondContact O-N 3.37Å
309K78.6Confident83.7Confident169 Ų16951.5 Ų51.574%0.73523%0.234SC*.Hα-helixtrans-61.7-37.3-178.2-72-176.1178.2178.20112R312 R313K309-R312 PolarHBondContact O-N 3.09Å; K309-R313 WeakPolarHBondContact O-CB 3.45Å; K309-R313 PolarHBondContact O-N 2.77Å
310D79.2Confident83.6Confident105 Ų10553.6 Ų53.656%0.56125%0.245SC*.Hα-helixtrans-70.7-40.4-179.2-59.8-37.6000110.9S308 R312 R313 E314S308-D310 PolarHBondContact O-N 3.07Å; D310-R312 PolarHBondContact O-N 3.42Å; D310-R313 PolarHBondContact O-N 3.18Å; D310-E314 WeakPolarHBondContact O-CB 3.45Å; D310-E314 WeakPolarHBondContact O-CG 3.15Å; D310-E314 PolarHBondContact O-N 2.91Å
311E78.1Confident83.4Confident25 Ų2556.7 Ų56.712%0.11726%0.261CS..Hα-helixtrans-63.8-39.6174.5-71171.3138.500113S308 A315S308-E311 WeakPolarHBondContact CB-OE2 3.32Å; S308-E311 PolarHBondContact N-OE2 2.9Å; S308-E311 PolarHBondContact O-N 2.99Å; S308-E311 VanDerWaalsContact OG-CB 3.3Å; S308-E311 WeakPolarHBondContact OG-CB 3.21Å; S308-E311 WeakPolarHBondContact OG-CG 3.36Å; S308-E311 PolarHBondContact OG-N 3.05Å; S308-E311 PolarHBondContact OG-OE2 3.41Å; E311-A315 PolarHBondContact O-N 3.12Å
312R80.1Confident83.1Confident72 Ų7256.7 Ų56.727%0.27226%0.261SS..Hα-helixtrans-68.5-35.8177-69.417960.8-155.8-3.9112K303 A307 S308 K309 D310 A315K303-R312 HydrophobicContact CB-CG 4.31Å; K303-R312 HydrophobicContact CD-CB 4.32Å; A307-R312 HydrophobicContact CB-CG 3.98Å; S308-R312 WeakPolarHBondContact O-CG 3.13Å; S308-R312 PolarHBondContact O-N 3.37Å; K309-R312 PolarHBondContact O-N 3.09Å; D310-R312 PolarHBondContact O-N 3.42Å; R312-A315 WeakPolarHBondContact O-CB 3.29Å
313R79.1Confident82.8Confident115 Ų11556.7 Ų56.743%0.43426%0.262SS..Hα-helixtrans-71.4-40.8177.7-176.1-179.4-70.9162.3-4.4112T86 E90 K309 D310 A315T86-R313 HydrophobicContact CG2-CG 3.87Å; E90-R313 IonicContact OE1-CZ 3.69Å; E90-R313 VanDerWaalsContact OE1-CZ 3.32Å; E90-R313 IonicContact OE1-NE 3.67Å; E90-R313 PolarHBondContact OE1-NE 2.89Å; E90-R313 IonicContact OE1-NH2 3.91Å; E90-R313 PolarHBondContact OE1-NH2 2.86Å; E90-R313 IonicContact OE2-NH2 3.94Å; K309-R313 WeakPolarHBondContact O-CB 3.45Å; K309-R313 PolarHBondContact O-N 2.77Å; D310-R313 PolarHBondContact O-N 3.18Å; R313-A315 VanDerWaalsContact C-N 3.27Å; R313-A315 PolarHBondContact O-N 3.18Å
314E82.4Confident82.5Confident68 Ų6863.7 Ų63.732%0.31829%0.292SS..SBendtrans-82.61.4-178.6-63.1-69.9119.100113.3D310 M316 K317 R318D310-E314 WeakPolarHBondContact O-CB 3.45Å; D310-E314 WeakPolarHBondContact O-CG 3.15Å; D310-E314 PolarHBondContact O-N 2.91Å; E314-M316 PolarHBondContact O-N 3.15Å; E314-K317 PolarHBondContact O-N 3.3Å; E314-K317 VanDerWaalsContact O-N 3.15Å; E314-K317 WeakPolarHBondContact OE2-CD 3.29Å; E314-K317 IonicContact OE2-NZ 3.83Å; E314-K317 PolarHBondContact OE2-NZ 3.06Å; E314-R318 HydrophobicContact CB-CG 4.43Å; E314-R318 WeakPolarHBondContact O-CG 3.34Å; E314-R318 PolarHBondContact O-N 2.61Å
315A83.3Confident82.4Confident3 Ų369.2 Ų69.23%0.02533%0.326CS..Hα-helixtrans-54.4-46.4-174.200000113.9V301 K303 E311 R312 R313 R318 A319 V336V301-A315 HydrophobicContact CG1-CB 4.07Å; K303-A315 HydrophobicContact CD-CB 3.86Å; K303-A315 HydrophobicContact CG-CB 3.99Å; E311-A315 PolarHBondContact O-N 3.12Å; R312-A315 WeakPolarHBondContact O-CB 3.29Å; R313-A315 VanDerWaalsContact C-N 3.27Å; R313-A315 PolarHBondContact O-N 3.18Å; A315-R318 PolarHBondContact O-N 3.2Å; A315-A319 PolarHBondContact O-N 3.05Å; A315-A319 VanDerWaalsContact O-N 3.15Å; A315-V336 HydrophobicContact CB-CG1 3.88Å
316M82.4Confident82.2Confident13 Ų1366.9 Ų66.96%0.06432%0.316CS..Hα-helixtrans-64.7-43.1178.8-174.767.7-133.400111.7Y67 R100 E314 A319 L320 V334 V336Y67-M316 HydrophobicContact CE1-CE 4.05Å; Y67-M316 HydrophobicContact CE1-SD 4.14Å; R100-M316 HydrophobicContact CB-CE 3.84Å; R100-M316 HydrophobicContact CG-CE 4.34Å; E314-M316 PolarHBondContact O-N 3.15Å; M316-A319 PolarHBondContact O-N 3.06Å; M316-L320 HydrophobicContact CE-CD1 4.13Å; M316-L320 HydrophobicContact CE-CD2 3.98Å; M316-L320 HydrophobicContact CE-CG 3.89Å; M316-L320 WeakPolarHBondContact O-CG 3.44Å; M316-L320 PolarHBondContact O-N 3.27Å; M316-V334 HydrophobicContact CE-CB 3.73Å; M316-V334 HydrophobicContact CE-CG1 3.53Å; M316-V334 HydrophobicContact CE-CG2 4.17Å; M316-V334 HydrophobicContact SD-CG1 3.98Å; M316-V336 HydrophobicContact CB-CG2 4.35Å; M316-V336 HydrophobicContact SD-CG2 3.77Å
317K83.4Confident82.2Confident112 Ų11265.8 Ų65.849%0.48732%0.318SS..Hα-helixtrans-64.9-43.1177.7-177.1-164.2175.7-177.80111.3E314 A319 L320 D321E314-K317 PolarHBondContact O-N 3.3Å; E314-K317 VanDerWaalsContact O-N 3.15Å; E314-K317 WeakPolarHBondContact OE2-CD 3.29Å; E314-K317 IonicContact OE2-NZ 3.83Å; E314-K317 PolarHBondContact OE2-NZ 3.06Å; K317-A319 VanDerWaalsContact C-N 3.29Å; K317-A319 PolarHBondContact O-N 2.89Å; K317-L320 WeakPolarHBondContact O-CB 3.4Å; K317-L320 PolarHBondContact O-N 2.97Å; K317-D321 PolarHBondContact O-N 2.74Å
318R84.8Confident82Confident22 Ų2268.5 Ų68.58%0.08333%0.327CS..Hα-helixtrans-58.3-39175.9-72.6170.8176.1-157.71.1112.2V269 E314 A315 Y322V269-R318 HydrophobicContact CG1-CG 4.48Å; E314-R318 HydrophobicContact CB-CG 4.43Å; E314-R318 WeakPolarHBondContact O-CG 3.34Å; E314-R318 PolarHBondContact O-N 2.61Å; A315-R318 PolarHBondContact O-N 3.2Å; R318-Y322 VanDerWaalsContact O-CB 3.27Å; R318-Y322 WeakPolarHBondContact O-CB 3.43Å; R318-Y322 PolarHBondContact O-N 2.78Å
319A85.4Confident81.7Confident0 Ų069.6 Ų69.60%033%0.333CS..Hα-helixtrans-64.7-41.917300000112.9V299 V301 A315 M316 K317 Y322 I323 V334V299-A319 HydrophobicContact CG1-CB 4.31Å; V301-A319 HydrophobicContact CG2-CB 3.63Å; A315-A319 PolarHBondContact O-N 3.05Å; A315-A319 VanDerWaalsContact O-N 3.15Å; M316-A319 PolarHBondContact O-N 3.06Å; K317-A319 VanDerWaalsContact C-N 3.29Å; K317-A319 PolarHBondContact O-N 2.89Å; A319-Y322 WeakPolarHBondContact O-CB 3.11Å; A319-Y322 PolarHBondContact O-N 3.3Å; A319-I323 WeakPolarHBondContact O-CG1 3.42Å; A319-I323 PolarHBondContact O-N 3.21Å; A319-V334 HydrophobicContact CB-CG1 3.59Å; A319-V334 HydrophobicContact CB-CG2 4.49Å
320L84.1Confident81.5Confident45 Ų4566.2 Ų66.224%0.23633%0.33CS..Hα-helixtrans-66.6-40.5177.7-66.1173.8000111.9M316 K317 Y322 I323 K324M316-L320 HydrophobicContact CE-CD1 4.13Å; M316-L320 HydrophobicContact CE-CD2 3.98Å; M316-L320 HydrophobicContact CE-CG 3.89Å; M316-L320 WeakPolarHBondContact O-CG 3.44Å; M316-L320 PolarHBondContact O-N 3.27Å; K317-L320 WeakPolarHBondContact O-CB 3.4Å; K317-L320 PolarHBondContact O-N 2.97Å; L320-Y322 VanDerWaalsContact C-N 3.32Å; L320-I323 PolarHBondContact O-N 3.02Å; L320-K324 WeakPolarHBondContact O-CG 3.32Å; L320-K324 PolarHBondContact O-N 3.14Å
321D83.6Confident81.2Confident65 Ų6562.6 Ų62.635%0.34831%0.314SS..Hα-helixtrans-68.5-34.9176-68.1-20.3000111.1K317 K324 T325K317-D321 PolarHBondContact O-N 2.74Å; D321-K324 PolarHBondContact O-N 3.44Å; D321-K324 IonicContact OD1-NZ 3.72Å; D321-T325 WeakPolarHBondContact O-CB 3.4Å; D321-T325 PolarHBondContact O-N 3.25Å; D321-T325 PolarHBondContact O-OG1 3.06Å
322Y84.5Confident81Confident5 Ų561.8 Ų61.82%0.0231%0.31CS..Hα-helixtrans-62.1-47.8171.3178.3-95.9000112Y260 I271 I291 D293 V299 R318 A319 L320 K324 T325 K326 Y328Y260-Y322 HydrophobicContact CD2-CE2 4.13Å; Y260-Y322 AromaticContact CD2-CZ 3.99Å; Y260-Y322 HydrophobicContact CE2-CE2 4.18Å; Y260-Y322 AromaticContact CE2-CZ 3.79Å; Y260-Y322 WeakPolarHBondContact CE2-OH 3.12Å; Y260-Y322 HydrophobicContact CG-CE2 4.36Å; I271-Y322 HydrophobicContact CD1-CD2 3.73Å; I271-Y322 HydrophobicContact CD1-CG 4.48Å; I271-Y322 HydrophobicContact CG2-CD2 4.06Å; I271-Y322 HydrophobicContact CG2-CE2 4.08Å; I291-Y322 HydrophobicContact CD1-CD2 4.34Å; I291-Y322 HydrophobicContact CD1-CG 4.11Å; I291-Y322 HydrophobicContact CG2-CD1 4.08Å; I291-Y322 HydrophobicContact CG2-CE1 4.17Å; I291-Y322 HydrophobicContact CG2-CG 4.32Å; D293-Y322 HydrophobicContact CB-CE1 4.04Å; D293-Y322 WeakPolarHBondContact OD2-CE1 3.48Å; D293-Y322 PolarHBondContact OD2-OH 2.77Å; V299-Y322 HydrophobicContact CG1-CD1 4.14Å; V299-Y322 HydrophobicContact CG2-CD1 4.43Å; V299-Y322 HydrophobicContact CG2-CE1 4.47Å; R318-Y322 VanDerWaalsContact O-CB 3.27Å; R318-Y322 WeakPolarHBondContact O-CB 3.43Å; R318-Y322 PolarHBondContact O-N 2.78Å; A319-Y322 WeakPolarHBondContact O-CB 3.11Å; A319-Y322 PolarHBondContact O-N 3.3Å; L320-Y322 VanDerWaalsContact C-N 3.32Å; Y322-K324 VanDerWaalsContact C-N 3.33Å; Y322-K324 PolarHBondContact O-N 2.81Å; Y322-T325 PolarHBondContact O-N 2.86Å; Y322-T325 VanDerWaalsContact O-N 3.16Å; Y322-K326 HydrophobicContact CD1-CG 4.33Å; Y322-K326 HydrophobicContact CD2-CG 4.37Å; Y322-K326 HydrophobicContact CE1-CG 3.84Å; Y322-K326 HydrophobicContact CE2-CD 4.45Å; Y322-K326 HydrophobicContact CE2-CG 3.92Å; Y322-K326 WeakPolarHBondContact O-CB 3.31Å; Y322-K326 PolarHBondContact O-N 3.41Å; Y322-K326 WeakPolarHBondContact OH-CE 3.42Å; Y322-Y328 HydrophobicContact CE1-CE2 4.31Å
323I83.8Confident80.7Confident7 Ų759.1 Ų59.14%0.03630%0.303CS..Hα-helixtrans-56.7-45.9175.9-74.8169.4000111.1V299 A319 L320 K326 N327 Y328 T332 V334V299-I323 HydrophobicContact CB-CD1 4.31Å; V299-I323 HydrophobicContact CB-CG1 4.43Å; V299-I323 HydrophobicContact CG2-CD1 4.15Å; V299-I323 HydrophobicContact CG2-CG1 3.87Å; A319-I323 WeakPolarHBondContact O-CG1 3.42Å; A319-I323 PolarHBondContact O-N 3.21Å; L320-I323 PolarHBondContact O-N 3.02Å; I323-K326 PolarHBondContact O-N 2.89Å; I323-N327 PolarHBondContact O-N 2.95Å; I323-N327 VanDerWaalsContact O-N 3.14Å; I323-Y328 PolarHBondContact O-N 2.88Å; I323-T332 HydrophobicContact CD1-CG2 3.87Å; I323-T332 HydrophobicContact CG1-CG2 4.27Å; I323-V334 HydrophobicContact CD1-CG2 3.35Å
324K83.8Confident80.9Confident147 Ų14753.6 Ų53.664%0.63928%0.282SS*.Hα-helixtrans-62.4-44.3176.2-70.9172.3-172.2166.70111.8L320 D321 Y322 K326 N327L320-K324 WeakPolarHBondContact O-CG 3.32Å; L320-K324 PolarHBondContact O-N 3.14Å; D321-K324 PolarHBondContact O-N 3.44Å; D321-K324 IonicContact OD1-NZ 3.72Å; Y322-K324 VanDerWaalsContact C-N 3.33Å; Y322-K324 PolarHBondContact O-N 2.81Å; K324-K326 VanDerWaalsContact C-N 3.35Å; K324-K326 PolarHBondContact O-N 3.25Å; K324-N327 PolarHBondContact O-N 2.88Å; K324-N327 VanDerWaalsContact O-N 3.1Å
325T82.3Confident81Confident117 Ų11750.8 Ų50.872%0.71827%0.269SS*.Hα-helixtrans-66.2-37.3-178.4-56.50000111.9D321 Y322 N327D321-T325 WeakPolarHBondContact O-CB 3.4Å; D321-T325 PolarHBondContact O-N 3.25Å; D321-T325 PolarHBondContact O-OG1 3.06Å; Y322-T325 PolarHBondContact O-N 2.86Å; Y322-T325 VanDerWaalsContact O-N 3.16Å; T325-N327 PolarHBondContact O-N 2.95Å
326K79.9Confident81.1Confident84 Ų8450.7 Ų50.737%0.36527%0.268SS..THydrogen-bonded Turntrans-79.6-2.1174.4-70.9-63.2-163.1174.90113.8Y260 Y322 I323 K324 Y328Y260-K326 PolarHBondContact OH-NZ 2.99Å; Y322-K326 HydrophobicContact CD1-CG 4.33Å; Y322-K326 HydrophobicContact CD2-CG 4.37Å; Y322-K326 HydrophobicContact CE1-CG 3.84Å; Y322-K326 HydrophobicContact CE2-CD 4.45Å; Y322-K326 HydrophobicContact CE2-CG 3.92Å; Y322-K326 WeakPolarHBondContact O-CB 3.31Å; Y322-K326 PolarHBondContact O-N 3.41Å; Y322-K326 WeakPolarHBondContact OH-CE 3.42Å; I323-K326 PolarHBondContact O-N 2.89Å; K324-K326 VanDerWaalsContact C-N 3.35Å; K324-K326 PolarHBondContact O-N 3.25Å; K326-Y328 HydrophobicContact CB-CD2 3.57Å; K326-Y328 HydrophobicContact CB-CE2 3.5Å; K326-Y328 HydrophobicContact CB-CG 4.11Å; K326-Y328 HydrophobicContact CG-CD2 4.36Å; K326-Y328 HydrophobicContact CG-CE2 3.92Å; K326-Y328 PolarHBondContact O-N 3.49Å
327N80.9Confident81.2Confident146 Ų14650.1 Ų50.178%0.78127%0.265SS*.THydrogen-bonded Turntrans56.435.6-176.6-160.438.7000113.1I323 K324 T325I323-N327 PolarHBondContact O-N 2.95Å; I323-N327 VanDerWaalsContact O-N 3.14Å; K324-N327 PolarHBondContact O-N 2.88Å; K324-N327 VanDerWaalsContact O-N 3.1Å; T325-N327 PolarHBondContact O-N 2.95Å
328Y80.3Confident81.1Confident64 Ų6445.2 Ų45.225%0.25125%0.245SC..  trans-78154.4174-70-39.4000111.4D293 Y322 I323 K326D293-Y328 WeakPolarHBondContact OD2-CE2 3.48Å; D293-Y328 PolarHBondContact OD2-OH 2.85Å; Y322-Y328 HydrophobicContact CE1-CE2 4.31Å; I323-Y328 PolarHBondContact O-N 2.88Å; K326-Y328 HydrophobicContact CB-CD2 3.57Å; K326-Y328 HydrophobicContact CB-CE2 3.5Å; K326-Y328 HydrophobicContact CB-CG 4.11Å; K326-Y328 HydrophobicContact CG-CD2 4.36Å; K326-Y328 HydrophobicContact CG-CE2 3.92Å; K326-Y328 PolarHBondContact O-N 3.49Å
329P76.3Confident80.9Confident77 Ų7745.7 Ų45.750%0.525%0.248SC..  trans-54.3142.2176.8-2635.2000112.4S331 T332P329-S331 WeakPolarHBondContact CB-OG 3.39Å; P329-S331 PolarHBondContact O-N 3.48Å; P329-T332 WeakPolarHBondContact O-CB 3.39Å; P329-T332 PolarHBondContact O-N 3.36Å; P329-T332 PolarHBondContact O-OG1 2.82Å; P329-T332 VanDerWaalsContact O-OG1 3.06Å
330S73.9Confident80Confident98 Ų9848.5 Ų48.569%0.68528%0.277SS*.THydrogen-bonded Turntrans-64.1-12.7175.559.50000113.4R100R100-S330 PolarHBondContact NH1-O 3Å; R100-S330 PolarHBondContact NH2-O 3.31Å
331S72.9Confident79Confident30 Ų3047.5 Ų47.521%0.2128%0.278CS..THydrogen-bonded Turntrans-81.7-7.4172.253.40000114.4P329 S333P329-S331 WeakPolarHBondContact CB-OG 3.39Å; P329-S331 PolarHBondContact O-N 3.48Å; S331-S333 PolarHBondContact O-N 3.32Å
332T74.4Confident78.5Confident7 Ų745.3 Ų45.34%0.04327%0.265CS..  trans-56.3128.6177.3-66.20000111R100 G296 V299 I323 P329R100-T332 PolarHBondContact NH1-O 2.87Å; R100-T332 VanDerWaalsContact NH1-O 3.13Å; G296-T332 WeakPolarHBondContact O-CB 3.37Å; G296-T332 WeakPolarHBondContact O-CG2 3.18Å; G296-T332 PolarHBondContact O-OG1 3.41Å; V299-T332 HydrophobicContact CG2-CG2 3.96Å; I323-T332 HydrophobicContact CD1-CG2 3.87Å; I323-T332 HydrophobicContact CG1-CG2 4.27Å; P329-T332 WeakPolarHBondContact O-CB 3.39Å; P329-T332 PolarHBondContact O-N 3.36Å; P329-T332 PolarHBondContact O-OG1 2.82Å; P329-T332 VanDerWaalsContact O-OG1 3.06Å
333S73.3Confident77.1Confident16 Ų1646 Ų4611%0.11227%0.271CS..EExtended strand (participates in β ladder)trans-69.4143.4179.1-174.50000110.6V299 S331V299-S333 PolarHBondContact N-O 2.68Å; S331-S333 PolarHBondContact O-N 3.32Å
334V84.4Confident75.4Confident0 Ų049.6 Ų49.60%030%0.301CS..EExtended strand (participates in β ladder)trans-129132.9177.5-178.90000110R100 V299 M316 A319 I323 V336R100-V334 HydrophobicContact CB-CB 3.93Å; R100-V334 PolarHBondContact N-O 2.8Å; V299-V334 VanDerWaalsContact O-CA 3.24Å; V299-V334 WeakPolarHBondContact O-CA 3.43Å; M316-V334 HydrophobicContact CE-CB 3.73Å; M316-V334 HydrophobicContact CE-CG1 3.53Å; M316-V334 HydrophobicContact CE-CG2 4.17Å; M316-V334 HydrophobicContact SD-CG1 3.98Å; A319-V334 HydrophobicContact CB-CG1 3.59Å; A319-V334 HydrophobicContact CB-CG2 4.49Å; I323-V334 HydrophobicContact CD1-CG2 3.35Å; V334-V336 HydrophobicContact CG1-CG2 4.22Å
335E83.1Confident73.8Confident9 Ų947.8 Ų47.84%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-122.6132.1175-174.6174.8-173.300109.6V97 Q98 Y99 V299 M300 V301 M337 S343V97-E335 HydrophobicContact CG1-CG 3.97Å; Q98-E335 CarbonylContact O-C 3.55Å; Q98-E335 WeakPolarHBondContact O-CA 3.46Å; Y99-E335 HydrophobicContact CD1-CB 4.33Å; Y99-E335 HydrophobicContact CD1-CG 3.9Å; Y99-E335 HydrophobicContact CE1-CB 4.35Å; Y99-E335 HydrophobicContact CE1-CG 3.53Å; Y99-E335 WeakPolarHBondContact CE1-OE1 3.46Å; Y99-E335 PolarHBondContact OH-OE1 2.83Å; V299-E335 PolarHBondContact O-N 3.31Å; M300-E335 CarbonylContact C-O 3.54Å; M300-E335 VanDerWaalsContact CA-O 3.26Å; M300-E335 WeakPolarHBondContact CA-O 3.3Å; M300-E335 HydrophobicContact CG-CB 4.23Å; V301-E335 PolarHBondContact N-O 3.09Å; E335-M337 HydrophobicContact CB-CE 4.38Å; E335-M337 HydrophobicContact CG-CE 3.65Å; E335-S343 WeakPolarHBondContact OE1-CB 3.45Å; E335-S343 PolarHBondContact OE1-OG 3.48Å; E335-S343 PolarHBondContact OE2-OG 2.93Å
336V86.4Confident73Confident1 Ų142.3 Ų42.31%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-124.1118.7177.9-1780000109.1Q98 V301 K303 A315 M316 V334Q98-V336 HydrophobicContact CB-CB 4.24Å; Q98-V336 PolarHBondContact N-O 2.87Å; Q98-V336 PolarHBondContact O-N 2.94Å; V301-V336 HydrophobicContact CB-CB 4.39Å; V301-V336 HydrophobicContact CB-CG1 4.19Å; V301-V336 HydrophobicContact CB-CG2 4.06Å; V301-V336 HydrophobicContact CG2-CG2 4.06Å; V301-V336 WeakPolarHBondContact O-CA 3.43Å; K303-V336 HydrophobicContact CD-CG1 3.74Å; K303-V336 HydrophobicContact CG-CG1 4.08Å; A315-V336 HydrophobicContact CB-CG1 3.88Å; M316-V336 HydrophobicContact CB-CG2 4.35Å; M316-V336 HydrophobicContact SD-CG2 3.77Å; V334-V336 HydrophobicContact CG1-CG2 4.22Å
337M83.3Confident71.9Confident0 Ų040.5 Ų40.50%026%0.255CS..EExtended strand (participates in β ladder)trans-123.3152-176.264.1-159.670.900111.9V97 M300 V301 W302 K303 E335 E342 F346V97-M337 HydrophobicContact CG1-CB 4.11Å; V97-M337 HydrophobicContact CG2-CB 4.46Å; M300-M337 HydrophobicContact CB-CE 4.2Å; V301-M337 PolarHBondContact O-N 2.8Å; W302-M337 HydrophobicContact CB-CG 4.47Å; K303-M337 WeakPolarHBondContact CB-O 3.45Å; K303-M337 PolarHBondContact N-O 2.78Å; E335-M337 HydrophobicContact CB-CE 4.38Å; E335-M337 HydrophobicContact CG-CE 3.65Å; M337-E342 HydrophobicContact CG-CG 4.37Å; M337-E342 HydrophobicContact SD-CB 3.85Å; M337-E342 HydrophobicContact SD-CG 3.97Å; M337-F346 HydrophobicContact CE-CB 3.78Å; M337-F346 HydrophobicContact CE-CD2 3.74Å; M337-F346 HydrophobicContact CE-CG 3.87Å; M337-F346 HydrophobicContact SD-CB 3.58Å; M337-F346 VanDerWaalsContact SD-CB 3.58Å; M337-F346 HydrophobicContact SD-CD1 3.66Å; M337-F346 HydrophobicContact SD-CD2 3.55Å; M337-F346 VanDerWaalsContact SD-CD2 3.55Å; M337-F346 HydrophobicContact SD-CE1 4.15Å; M337-F346 HydrophobicContact SD-CE2 4.09Å; M337-F346 HydrophobicContact SD-CG 3.31Å; M337-F346 WeakPolarHBondContact SD-CG 3.49Å; M337-F346 HydrophobicContact SD-CZ 4.36Å
338S82Confident70.7Confident9 Ų940.8 Ų40.86%0.06325%0.252CS..EExtended strand (participates in β ladder)trans-93.6151.4170.7-68.30000110.4G94 K303 G340 G341G94-S338 PolarHBondContact O-OG 2.94Å; K303-S338 VanDerWaalsContact CE-OG 3.22Å; K303-S338 WeakPolarHBondContact CE-OG 3.22Å; S338-G340 PolarHBondContact O-N 2.91Å; S338-G341 WeakPolarHBondContact O-CA 3.49Å; S338-G341 PolarHBondContact O-N 3.05Å
339E79.9Confident69.6Low32 Ų3238.7 Ų38.715%0.1525%0.245CC..THydrogen-bonded Turntrans-50130.5172.7169.9-178.7172.900111.1S286 W302 K303 K305 G341 E342S286-E339 WeakPolarHBondContact CA-OE2 3.41Å; S286-E339 WeakPolarHBondContact CB-OE2 3.48Å; S286-E339 VanDerWaalsContact OG-CD 3.23Å; S286-E339 PolarHBondContact OG-OE1 2.89Å; S286-E339 PolarHBondContact OG-OE2 3.33Å; W302-E339 HydrophobicContact CH2-CB 3.89Å; W302-E339 HydrophobicContact CH2-CG 4.06Å; W302-E339 HydrophobicContact CZ2-CB 3.38Å; W302-E339 HydrophobicContact CZ2-CG 3.55Å; K303-E339 PolarHBondContact O-N 3.36Å; K305-E339 WeakPolarHBondContact CB-OE2 3.34Å; K305-E339 HydrophobicContact CD-CB 4.4Å; K305-E339 HydrophobicContact CD-CG 4.12Å; K305-E339 WeakPolarHBondContact CE-O 3.42Å; K305-E339 HydrophobicContact CG-CB 4.01Å; K305-E339 HydrophobicContact CG-CG 4.23Å; K305-E339 PolarHBondContact N-OE2 2.89Å; E339-G341 VanDerWaalsContact C-N 3.27Å; E339-G341 PolarHBondContact O-N 3.24Å; E339-E342 WeakPolarHBondContact CA-OE1 3.21Å
340G66.7Low68.9Low59 Ų5935.6 Ų35.661%0.60822%0.223SC*.THydrogen-bonded Turntrans79.5-2.9-173.500000115.5S338 E342S338-G340 PolarHBondContact O-N 2.91Å; G340-E342 WeakPolarHBondContact CA-OE2 3.37Å; G340-E342 PolarHBondContact N-OE1 2.77Å; G340-E342 PolarHBondContact N-OE2 2.8Å; G340-E342 VanDerWaalsContact N-OE2 3.1Å
341G63.2Low67.9Low25 Ų2536.4 Ų36.426%0.25821%0.214SC..  trans-11325174.600000112.7V97 S338 E339V97-G341 WeakPolarHBondContact CG2-O 3.3Å; S338-G341 WeakPolarHBondContact O-CA 3.49Å; S338-G341 PolarHBondContact O-N 3.05Å; E339-G341 VanDerWaalsContact C-N 3.27Å; E339-G341 PolarHBondContact O-N 3.24Å
342E73.3Confident67Low19 Ų1938 Ų389%0.08922%0.221CC..  trans-71.9140.3-172.5-54.987.816900112.3W302 M337 E339 G340 F346 K347 W353W302-E342 PolarHBondContact NE1-OE1 3.29Å; M337-E342 HydrophobicContact CG-CG 4.37Å; M337-E342 HydrophobicContact SD-CB 3.85Å; M337-E342 HydrophobicContact SD-CG 3.97Å; E339-E342 WeakPolarHBondContact CA-OE1 3.21Å; G340-E342 WeakPolarHBondContact CA-OE2 3.37Å; G340-E342 PolarHBondContact N-OE1 2.77Å; G340-E342 PolarHBondContact N-OE2 2.8Å; G340-E342 VanDerWaalsContact N-OE2 3.1Å; E342-F346 HydrophobicContact CB-CD1 3.81Å; E342-F346 HydrophobicContact CB-CE1 4.46Å; E342-F346 HydrophobicContact CG-CD1 3.9Å; E342-F346 HydrophobicContact CG-CE1 4.05Å; E342-K347 HydrophobicContact CB-CG 4.16Å; E342-K347 WeakPolarHBondContact O-CE 3.45Å; E342-K347 PolarHBondContact O-NZ 3.22Å; E342-W353 HydrophobicContact CB-CH2 4.16Å; E342-W353 HydrophobicContact CB-CZ2 3.84Å; E342-W353 HydrophobicContact CG-CH2 3.61Å; E342-W353 HydrophobicContact CG-CZ2 3.49Å; E342-W353 VanDerWaalsContact CG-CZ2 3.49Å
343S55.5Low65.9Low18 Ų1839.7 Ų39.713%0.12623%0.226CC..  trans-74.7156.3177.670.60000112.1E335 M345 F346 K347E335-S343 WeakPolarHBondContact OE1-CB 3.45Å; E335-S343 PolarHBondContact OE1-OG 3.48Å; E335-S343 PolarHBondContact OE2-OG 2.93Å; S343-M345 PolarHBondContact O-N 3.31Å; S343-F346 WeakPolarHBondContact O-CB 3.12Å; S343-F346 PolarHBondContact O-N 2.88Å; S343-F346 VanDerWaalsContact O-N 3.13Å; S343-F346 PolarHBondContact OG-N 3.3Å; S343-K347 VanDerWaalsContact O-CG 3.3Å; S343-K347 WeakPolarHBondContact O-CG 3.39Å; S343-K347 PolarHBondContact O-N 3.07Å
344A47.5Very low65Low83 Ų8346.5 Ų46.569%0.68625%0.249SC*.Hα-helixtrans-57.9-34.417900000112.4K347 H348A344-K347 PolarHBondContact O-N 3.21Å; A344-H348 WeakPolarHBondContact O-CB 3.36Å; A344-H348 PolarHBondContact O-N 2.95Å
345M51.3Low63.3Low110 Ų11049.9 Ų49.954%0.54227%0.265SS..Hα-helixtrans-68.2-43.9177.4-171.959.467.500111.4M300 S343 K347 H348 L349M300-M345 HydrophobicContact CE-CB 4.37Å; M300-M345 HydrophobicContact CE-CG 3.72Å; S343-M345 PolarHBondContact O-N 3.31Å; M345-K347 PolarHBondContact O-N 2.78Å; M345-H348 PolarHBondContact O-N 2.74Å; M345-L349 WeakPolarHBondContact O-CG 3.25Å; M345-L349 PolarHBondContact O-N 3.36Å
346F63.9Low61.3Low1 Ų159.2 Ų59.20%0.00431%0.306CS..Hα-helixtrans-58.5-48.7173.8-175.3-95.9000111.1L284 L292 M300 W302 M337 E342 S343 H348 L349 F350 W353L284-F346 HydrophobicContact CD1-CE1 3.75Å; L284-F346 HydrophobicContact CD1-CZ 3.85Å; L284-F346 HydrophobicContact CD2-CZ 4.47Å; L292-F346 HydrophobicContact CB-CE2 4.18Å; L292-F346 HydrophobicContact CD1-CD2 4.22Å; L292-F346 HydrophobicContact CD1-CE2 3.86Å; L292-F346 HydrophobicContact CD1-CZ 4.48Å; M300-F346 HydrophobicContact CB-CD2 3.95Å; M300-F346 HydrophobicContact CB-CE2 4.32Å; M300-F346 HydrophobicContact CG-CD2 4.48Å; M300-F346 HydrophobicContact SD-CB 4.02Å; M300-F346 HydrophobicContact SD-CD2 3.74Å; M300-F346 HydrophobicContact SD-CG 4.38Å; W302-F346 HydrophobicContact CB-CE1 4.49Å; W302-F346 HydrophobicContact CB-CE2 4.16Å; W302-F346 HydrophobicContact CB-CZ 3.69Å; W302-F346 AromaticContact CD1-CE1 3.6Å; W302-F346 AromaticContact CD1-CZ 3.68Å; W302-F346 HydrophobicContact CG-CE1 4.27Å; W302-F346 AromaticContact CG-CZ 3.91Å; W302-F346 HydrophobicContact CG-CZ 3.91Å; M337-F346 HydrophobicContact CE-CB 3.78Å; M337-F346 HydrophobicContact CE-CD2 3.74Å; M337-F346 HydrophobicContact CE-CG 3.87Å; M337-F346 HydrophobicContact SD-CB 3.58Å; M337-F346 VanDerWaalsContact SD-CB 3.58Å; M337-F346 HydrophobicContact SD-CD1 3.66Å; M337-F346 HydrophobicContact SD-CD2 3.55Å; M337-F346 VanDerWaalsContact SD-CD2 3.55Å; M337-F346 HydrophobicContact SD-CE1 4.15Å; M337-F346 HydrophobicContact SD-CE2 4.09Å; M337-F346 HydrophobicContact SD-CG 3.31Å; M337-F346 WeakPolarHBondContact SD-CG 3.49Å; M337-F346 HydrophobicContact SD-CZ 4.36Å; E342-F346 HydrophobicContact CB-CD1 3.81Å; E342-F346 HydrophobicContact CB-CE1 4.46Å; E342-F346 HydrophobicContact CG-CD1 3.9Å; E342-F346 HydrophobicContact CG-CE1 4.05Å; S343-F346 WeakPolarHBondContact O-CB 3.12Å; S343-F346 PolarHBondContact O-N 2.88Å; S343-F346 VanDerWaalsContact O-N 3.13Å; S343-F346 PolarHBondContact OG-N 3.3Å; F346-H348 VanDerWaalsContact C-N 3.28Å; F346-H348 PolarHBondContact O-N 3.09Å; F346-L349 WeakPolarHBondContact O-CB 3.13Å; F346-L349 PolarHBondContact O-N 2.92Å; F346-L349 VanDerWaalsContact O-N 3.09Å; F346-F350 HydrophobicContact CD1-CD2 4.37Å; F346-F350 AromaticContact CD1-CE2 3.74Å; F346-F350 HydrophobicContact CD1-CE2 3.74Å; F346-F350 HydrophobicContact CD2-CE2 4.3Å; F346-F350 HydrophobicContact CE1-CD2 4.29Å; F346-F350 AromaticContact CE1-CE2 3.38Å; F346-F350 HydrophobicContact CE1-CE2 3.38Å; F346-F350 AromaticContact CE1-CZ 3.8Å; F346-F350 HydrophobicContact CE1-CZ 3.8Å; F346-F350 AromaticContact CE2-CE2 3.98Å; F346-F350 HydrophobicContact CE2-CE2 3.98Å; F346-F350 HydrophobicContact CE2-CZ 4.26Å; F346-F350 HydrophobicContact CG-CE2 4.2Å; F346-F350 AromaticContact CZ-CE2 3.51Å; F346-F350 HydrophobicContact CZ-CE2 3.51Å; F346-F350 AromaticContact CZ-CZ 3.61Å; F346-F350 HydrophobicContact CZ-CZ 3.61Å; F346-F350 WeakPolarHBondContact O-CD2 3.36Å; F346-F350 WeakPolarHBondContact O-CE2 3.48Å; F346-W353 AromaticContact CD1-CH2 3.82Å; F346-W353 HydrophobicContact CD1-CH2 3.82Å; F346-W353 AromaticContact CD1-CZ3 3.74Å; F346-W353 HydrophobicContact CD1-CZ3 3.74Å; F346-W353 AromaticContact CE1-CH2 3.5Å; F346-W353 HydrophobicContact CE1-CH2 3.5Å; F346-W353 AromaticContact CE1-CZ3 3.48Å; F346-W353 HydrophobicContact CE1-CZ3 3.48Å; F346-W353 VanDerWaalsContact CE1-CZ3 3.48Å
347K58.4Low59.1Low46 Ų4662.9 Ų62.920%0.234%0.343CS..Hα-helixtrans-57.6-40179.1-63.2178.2-179.7167.50112.5E342 S343 A344 M345 L349 F350 W353 E355E342-K347 HydrophobicContact CB-CG 4.16Å; E342-K347 WeakPolarHBondContact O-CE 3.45Å; E342-K347 PolarHBondContact O-NZ 3.22Å; S343-K347 VanDerWaalsContact O-CG 3.3Å; S343-K347 WeakPolarHBondContact O-CG 3.39Å; S343-K347 PolarHBondContact O-N 3.07Å; A344-K347 PolarHBondContact O-N 3.21Å; M345-K347 PolarHBondContact O-N 2.78Å; K347-L349 PolarHBondContact O-N 2.87Å; K347-F350 PolarHBondContact O-N 3.17Å; K347-W353 HydrophobicContact CB-CB 4.12Å; K347-W353 HydrophobicContact CB-CD2 3.89Å; K347-W353 HydrophobicContact CB-CE3 4.32Å; K347-W353 HydrophobicContact CB-CG 3.74Å; K347-W353 HydrophobicContact CD-CD2 4.37Å; K347-W353 HydrophobicContact CD-CG 4.11Å; K347-W353 HydrophobicContact CG-CD2 3.57Å; K347-W353 HydrophobicContact CG-CE3 4.2Å; K347-W353 HydrophobicContact CG-CG 3.67Å; K347-W353 HydrophobicContact CG-CZ2 4.27Å; K347-E355 IonicContact NZ-OE1 2.76Å; K347-E355 PolarHBondContact NZ-OE1 3.11Å
348H54.2Low56.6Low153 Ų15368.8 Ų68.871%0.70837%0.371SS*.Hα-helixtrans-64.1-25.2179.6-174.370.9000113.5A344 M345 F346 F350A344-H348 WeakPolarHBondContact O-CB 3.36Å; A344-H348 PolarHBondContact O-N 2.95Å; M345-H348 PolarHBondContact O-N 2.74Å; F346-H348 VanDerWaalsContact C-N 3.28Å; F346-H348 PolarHBondContact O-N 3.09Å; H348-F350 PolarHBondContact O-N 3.24Å
349L58.5Low54.1Low20 Ų2075.6 Ų75.611%0.10541%0.405CS..THydrogen-bonded Turntrans-77.7-4.5179-61.9171.1000113.1V257 L292 M300 M345 F346 K347V257-L349 HydrophobicContact CG2-CD2 4.35Å; L292-L349 HydrophobicContact CD1-CB 4.3Å; L292-L349 HydrophobicContact CD1-CD1 4.46Å; L292-L349 HydrophobicContact CD2-CD1 3.54Å; M300-L349 HydrophobicContact CE-CD1 3.86Å; M300-L349 HydrophobicContact SD-CD1 3.85Å; M345-L349 WeakPolarHBondContact O-CG 3.25Å; M345-L349 PolarHBondContact O-N 3.36Å; F346-L349 WeakPolarHBondContact O-CB 3.13Å; F346-L349 PolarHBondContact O-N 2.92Å; F346-L349 VanDerWaalsContact O-N 3.09Å; K347-L349 PolarHBondContact O-N 2.87Å
350F61.1Low51.6Low11 Ų1180.6 Ų80.65%0.04844%0.438CS..BIsolated β-bridgetrans-108140.1175-64-100.5000110.9L279 L284 L292 F346 K347 H348 N352 W353L279-F350 HydrophobicContact CB-CD1 3.63Å; L279-F350 HydrophobicContact CB-CE1 3.88Å; L279-F350 HydrophobicContact CB-CG 4.18Å; L279-F350 HydrophobicContact CD1-CE1 4.46Å; L279-F350 HydrophobicContact CD1-CZ 4.43Å; L279-F350 CarbonylContact O-C 3.47Å; L279-F350 VanDerWaalsContact O-CA 3.27Å; L279-F350 WeakPolarHBondContact O-CA 3.2Å; L284-F350 HydrophobicContact CD1-CE1 3.95Å; L284-F350 HydrophobicContact CD1-CZ 3.77Å; L284-F350 HydrophobicContact CD2-CZ 4.38Å; L284-F350 HydrophobicContact CG-CE1 4.14Å; L284-F350 HydrophobicContact CG-CZ 4.24Å; L292-F350 HydrophobicContact CD1-CE2 3.63Å; L292-F350 HydrophobicContact CD1-CZ 3.74Å; F346-F350 HydrophobicContact CD1-CD2 4.37Å; F346-F350 AromaticContact CD1-CE2 3.74Å; F346-F350 HydrophobicContact CD1-CE2 3.74Å; F346-F350 HydrophobicContact CD2-CE2 4.3Å; F346-F350 HydrophobicContact CE1-CD2 4.29Å; F346-F350 AromaticContact CE1-CE2 3.38Å; F346-F350 HydrophobicContact CE1-CE2 3.38Å; F346-F350 AromaticContact CE1-CZ 3.8Å; F346-F350 HydrophobicContact CE1-CZ 3.8Å; F346-F350 AromaticContact CE2-CE2 3.98Å; F346-F350 HydrophobicContact CE2-CE2 3.98Å; F346-F350 HydrophobicContact CE2-CZ 4.26Å; F346-F350 HydrophobicContact CG-CE2 4.2Å; F346-F350 AromaticContact CZ-CE2 3.51Å; F346-F350 HydrophobicContact CZ-CE2 3.51Å; F346-F350 AromaticContact CZ-CZ 3.61Å; F346-F350 HydrophobicContact CZ-CZ 3.61Å; F346-F350 WeakPolarHBondContact O-CD2 3.36Å; F346-F350 WeakPolarHBondContact O-CE2 3.48Å; K347-F350 PolarHBondContact O-N 3.17Å; H348-F350 PolarHBondContact O-N 3.24Å; F350-N352 VanDerWaalsContact C-N 3.27Å; F350-N352 PolarHBondContact O-N 3.45Å; F350-W353 HydrophobicContact CB-CE3 4.03Å; F350-W353 HydrophobicContact CD1-CZ3 4.42Å; F350-W353 AromaticContact CD2-CE3 3.73Å; F350-W353 HydrophobicContact CD2-CE3 3.73Å; F350-W353 AromaticContact CD2-CZ3 3.68Å; F350-W353 HydrophobicContact CD2-CZ3 3.68Å; F350-W353 HydrophobicContact CE2-CE3 4.37Å; F350-W353 AromaticContact CE2-CZ3 3.85Å; F350-W353 HydrophobicContact CE2-CZ3 3.85Å; F350-W353 AromaticContact CG-CE3 3.86Å; F350-W353 HydrophobicContact CG-CE3 3.86Å; F350-W353 HydrophobicContact CG-CZ3 4.01Å; F350-W353 HydrophobicContact CZ-CZ3 4.29Å
351K52.3Low49.7Very low116 Ų11680.8 Ų80.850%0.50444%0.44SS..SBendtrans-58.3-36.3-176.4-171.5176.8-178.4177.10112.9P278 L279P278-K351 HydrophobicContact CB-CB 4.49Å; P278-K351 HydrophobicContact CB-CD 4.26Å; L279-K351 PolarHBondContact O-N 3.01Å
352N53.3Low48Very low63 Ų6388.8 Ų88.834%0.33748%0.476SS..  trans-146.7114.2178.4-74.2-41.2000109F350F350-N352 VanDerWaalsContact C-N 3.27Å; F350-N352 PolarHBondContact O-N 3.45Å
353W52.5Low45.7Very low42 Ų4290.9 Ų90.916%0.15950%0.502CS..  trans-111.8119.2176.3-168.8-79.5000110.5Q281 L284 E342 F346 K347 F350Q281-W353 HydrophobicContact CG-CD2 4.48Å; Q281-W353 HydrophobicContact CG-CE3 4.22Å; Q281-W353 HydrophobicContact CG-CH2 4.37Å; Q281-W353 HydrophobicContact CG-CZ3 4.18Å; L284-W353 HydrophobicContact CD1-CH2 3.84Å; L284-W353 HydrophobicContact CD1-CZ3 3.86Å; E342-W353 HydrophobicContact CB-CH2 4.16Å; E342-W353 HydrophobicContact CB-CZ2 3.84Å; E342-W353 HydrophobicContact CG-CH2 3.61Å; E342-W353 HydrophobicContact CG-CZ2 3.49Å; E342-W353 VanDerWaalsContact CG-CZ2 3.49Å; F346-W353 AromaticContact CD1-CH2 3.82Å; F346-W353 HydrophobicContact CD1-CH2 3.82Å; F346-W353 AromaticContact CD1-CZ3 3.74Å; F346-W353 HydrophobicContact CD1-CZ3 3.74Å; F346-W353 AromaticContact CE1-CH2 3.5Å; F346-W353 HydrophobicContact CE1-CH2 3.5Å; F346-W353 AromaticContact CE1-CZ3 3.48Å; F346-W353 HydrophobicContact CE1-CZ3 3.48Å; F346-W353 VanDerWaalsContact CE1-CZ3 3.48Å; K347-W353 HydrophobicContact CB-CB 4.12Å; K347-W353 HydrophobicContact CB-CD2 3.89Å; K347-W353 HydrophobicContact CB-CE3 4.32Å; K347-W353 HydrophobicContact CB-CG 3.74Å; K347-W353 HydrophobicContact CD-CD2 4.37Å; K347-W353 HydrophobicContact CD-CG 4.11Å; K347-W353 HydrophobicContact CG-CD2 3.57Å; K347-W353 HydrophobicContact CG-CE3 4.2Å; K347-W353 HydrophobicContact CG-CG 3.67Å; K347-W353 HydrophobicContact CG-CZ2 4.27Å; F350-W353 HydrophobicContact CB-CE3 4.03Å; F350-W353 HydrophobicContact CD1-CZ3 4.42Å; F350-W353 AromaticContact CD2-CE3 3.73Å; F350-W353 HydrophobicContact CD2-CE3 3.73Å; F350-W353 AromaticContact CD2-CZ3 3.68Å; F350-W353 HydrophobicContact CD2-CZ3 3.68Å; F350-W353 HydrophobicContact CE2-CE3 4.37Å; F350-W353 AromaticContact CE2-CZ3 3.85Å; F350-W353 HydrophobicContact CE2-CZ3 3.85Å; F350-W353 AromaticContact CG-CE3 3.86Å; F350-W353 HydrophobicContact CG-CE3 3.86Å; F350-W353 HydrophobicContact CG-CZ3 4.01Å; F350-W353 HydrophobicContact CZ-CZ3 4.29Å
354R53.8Low44.4Very low160 Ų16096.4 Ų96.460%0.60453%0.531SS*.  trans-115129177.7-61.8-174.7-177.8-158.30.2110.3Q281Q281-R354 PolarHBondContact NE2-O 3.17Å; Q281-R354 PolarHBondContact OE1-O 2.96Å
355E48.8Very low43.3Very low71 Ų7198.1 Ų98.133%0.33253%0.533SS..  trans-84.5131.6170.9-67.7178.7178.900110.4K347 G357 Q358K347-E355 IonicContact NZ-OE1 2.76Å; K347-E355 PolarHBondContact NZ-OE1 3.11Å; E355-G357 PolarHBondContact O-N 2.89Å; E355-Q358 HydrophobicContact CB-CB 4Å; E355-Q358 HydrophobicContact CB-CG 4.22Å; E355-Q358 PolarHBondContact O-N 2.62Å
356K42.4Very low42.2Very low205 Ų205102 Ų10289%0.89155%0.549SS*.THydrogen-bonded Turntrans-62.9105.9173-81.6179.1178.1167.90108.9
357G39.8Very low40.3Very low77 Ų77108 Ų10879%0.79459%0.586SS**THydrogen-bonded Turntrans108.6-2.3-177.800000115.1E355 I359E355-G357 PolarHBondContact O-N 2.89Å; G357-I359 PolarHBondContact O-N 3.48Å
358Q30.6Very low39Very low125 Ų125113 Ų11358%0.58462%0.62SS**  trans-75.5122.7168.8-120.1178-8.100109.9E355E355-Q358 HydrophobicContact CB-CB 4Å; E355-Q358 HydrophobicContact CB-CG 4.22Å; E355-Q358 PolarHBondContact O-N 2.62Å
359I28.8Very low37.6Very low152 Ų152109 Ų10978%0.77962%0.62SS**  trans-80.2129.8-179.2-49.2165.8000108.5G357G357-I359 PolarHBondContact O-N 3.48Å
360T28.2Very low36.2Very low137 Ų137118 Ų11884%0.8466%0.659SS**  trans-88.2114.4159.640.60000109.1
361G26Very low34.7Very low63 Ų63124.8 Ų124.865%0.64969%0.694SS**SBendtrans68.2156.715800000118.2G363G361-G363 PolarHBondContact O-N 3.37Å
362L28.4Very low33.3Very low192 Ų192123.3 Ų123.3100%1.00570%0.703SS**SBendtrans-65.8113.8172-84.293.5000109.9
363G24.7Very low32.1Very low63 Ų63129.9 Ų129.965%0.64973%0.729SS**  trans-174.8127.6170.900000108.7G361 T365G361-G363 PolarHBondContact O-N 3.37Å; G363-T365 PolarHBondContact O-N 3.16Å
364N27.1Very low31Very low135 Ų135134 Ų13472%0.72276%0.758SS**  trans-54.7134.9-172.4-76.5-40.1000112.5Q376N364-Q376 PolarHBondContact OD1-NE2 2.77Å
365T26Very low29.7Very low119 Ų119134.5 Ų134.573%0.7377%0.767SS**  trans-77.6137.3174.334.90000110.7G363G363-T365 PolarHBondContact O-N 3.16Å
366H26.6Very low28.6Very low190 Ų190138.5 Ų138.588%0.8879%0.786SS**  trans-110102.2148.6-76.1-58000108.7
367T26Very low28.1Very low127 Ų127134.4 Ų134.478%0.77978%0.778SS**  trans-128.3114157.2-37.10000107.8G369T367-G369 PolarHBondContact O-N 3.47Å
368V29.3Very low27.9Very low152 Ų152139.7 Ų139.792%0.92178%0.779SS**  trans-72113.1176.91800000108.5
369G26.3Very low28.4Very low69 Ų69138.4 Ų138.471%0.71177%0.772SS**SBendtrans150.694.9165.300000116.5T367T367-G369 PolarHBondContact O-N 3.47Å
370K28.8Very low29Very low210 Ų210135.2 Ų135.291%0.91376%0.756SS**  trans58.371.3159.9-71.4-175.5176.1179.40118.3A372K370-A372 PolarHBondContact O-N 3.22Å
371I28.3Very low29.7Very low153 Ų153130.2 Ų130.279%0.78573%0.726SS**  trans7.1103.6137.5-43.5170.7000116.5K373I371-K373 HydrophobicContact CG2-CG 4.07Å
372A24.7Very low30.7Very low85 Ų85133.6 Ų133.670%0.70273%0.726SS**  -97.9123.9123.900000105.7K370 V374K370-A372 PolarHBondContact O-N 3.22Å; A372-V374 PolarHBondContact O-N 3.05Å
373K26.5Very low31.8Very low201 Ų201129.1 Ų129.187%0.87470%0.7SS**  trans-59.4105.3174.6-91.9-177.7172-177.60107.6I371I371-K373 HydrophobicContact CG2-CG 4.07Å
374V30.9Very low32.9Very low127 Ų127126.5 Ų126.577%0.7767%0.671SS**  trans-83.8112.6165.3-179.80000105.7A372 Q376A372-V374 PolarHBondContact O-N 3.05Å; V374-Q376 PolarHBondContact O-N 3.45Å
375E25.2Very low34Very low172 Ų172124.2 Ų124.280%0.80466%0.656SS**  trans-60.9118.1168.5-119.4173.2177.400108.1V377E375-V377 PolarHBondContact O-N 2.71Å
376Q26.6Very low35Very low155 Ų155121.9 Ų121.972%0.72465%0.649SS**  trans-73.794.1168.7-75.8-168.9-15.500107.8N364 V374 K378N364-Q376 PolarHBondContact OD1-NE2 2.77Å; V374-Q376 PolarHBondContact O-N 3.45Å; Q376-K378 PolarHBondContact O-N 3.43Å
377V31.1Very low35.9Very low119 Ų119115.6 Ų115.672%0.72162%0.619SS**  trans-77.6118.5170.9-168.90000107.3E375E375-V377 PolarHBondContact O-N 2.71Å
378K36.1Very low36.7Very low188 Ų188114.2 Ų114.282%0.81761%0.613SS**  trans-56.1144.2169.4-78.7-178.5173.7-176.30108.9Q376 D380Q376-K378 PolarHBondContact O-N 3.43Å; K378-D380 PolarHBondContact O-N 3.18Å
379F40.2Very low36.9Very low97 Ų97111 Ų11143%0.42559%0.59SS.*  trans-53.8106.6173.8177.3-104.3000109.6V381 L384F379-V381 HydrophobicContact CD1-CG2 3.93Å; F379-V381 HydrophobicContact CE1-CB 4.33Å; F379-V381 HydrophobicContact CE1-CG1 4.05Å; F379-V381 HydrophobicContact CE1-CG2 3.78Å; F379-L384 HydrophobicContact CE2-CD1 4.19Å; F379-L384 HydrophobicContact CZ-CD1 3.82Å
380D42.6Very low37.7Very low85 Ų85110.4 Ų110.446%0.45557%0.57SS.*  trans-96.2103.3-179.7-165.4-14.3000108.9K378 M382 E383K378-D380 PolarHBondContact O-N 3.18Å; D380-M382 PolarHBondContact O-N 3.14Å; D380-M382 VanDerWaalsContact O-N 3.12Å; D380-M382 VanDerWaalsContact OD1-CB 3.28Å; D380-M382 WeakPolarHBondContact OD1-CB 3.49Å; D380-M382 WeakPolarHBondContact OD1-CG 3.34Å; D380-M382 PolarHBondContact OD1-N 3.46Å; D380-M382 VanDerWaalsContact OD1-N 3.12Å; D380-E383 PolarHBondContact O-N 2.78Å; D380-E383 VanDerWaalsContact O-N 3.09Å
381V42.8Very low38.6Very low33 Ų33101.3 Ų101.320%0.253%0.534CS..G310 helixtrans-64-17.2-177.2-146.20000111.8F379 E383 L384 D399F379-V381 HydrophobicContact CD1-CG2 3.93Å; F379-V381 HydrophobicContact CE1-CB 4.33Å; F379-V381 HydrophobicContact CE1-CG1 4.05Å; F379-V381 HydrophobicContact CE1-CG2 3.78Å; V381-E383 VanDerWaalsContact C-N 3.27Å; V381-E383 PolarHBondContact O-N 3.06Å; V381-L384 WeakPolarHBondContact O-CB 3.41Å; V381-L384 PolarHBondContact O-N 2.72Å; V381-D399 HydrophobicContact CB-CB 3.78Å; V381-D399 VanDerWaalsContact CG1-CA 3.49Å; V381-D399 HydrophobicContact CG1-CB 3.19Å
382M46.1Very low38.6Very low134 Ų13497.3 Ų97.366%0.6652%0.523SS*.G310 helixtrans-68.3-23.2175.2-60.5-87.691.800112.9D380D380-M382 PolarHBondContact O-N 3.14Å; D380-M382 VanDerWaalsContact O-N 3.12Å; D380-M382 VanDerWaalsContact OD1-CB 3.28Å; D380-M382 WeakPolarHBondContact OD1-CB 3.49Å; D380-M382 WeakPolarHBondContact OD1-CG 3.34Å; D380-M382 PolarHBondContact OD1-N 3.46Å; D380-M382 VanDerWaalsContact OD1-N 3.12Å
383E51.7Low39.1Very low98 Ų98100.3 Ų100.346%0.45852%0.521SS..G310 helixtrans-87.2-4.1-179.8-68.2-162.416300114.1D380 V381 H385 A386 H387D380-E383 PolarHBondContact O-N 2.78Å; D380-E383 VanDerWaalsContact O-N 3.09Å; V381-E383 VanDerWaalsContact C-N 3.27Å; V381-E383 PolarHBondContact O-N 3.06Å; E383-H385 VanDerWaalsContact C-N 3.25Å; E383-H385 PolarHBondContact O-N 2.76Å; E383-A386 WeakPolarHBondContact O-CB 3.2Å; E383-A386 PolarHBondContact O-N 3.44Å; E383-H387 PolarHBondContact O-N 3.46Å
384L48.8Very low40.1Very low7 Ų794.2 Ų94.24%0.03750%0.495CS..THydrogen-bonded Turntrans-60.7-35.5-176.3-139.786.9000112.2F379 V381 A386 H387 A391 L396F379-L384 HydrophobicContact CE2-CD1 4.19Å; F379-L384 HydrophobicContact CZ-CD1 3.82Å; V381-L384 WeakPolarHBondContact O-CB 3.41Å; V381-L384 PolarHBondContact O-N 2.72Å; L384-A386 VanDerWaalsContact C-N 3.28Å; L384-A386 PolarHBondContact O-N 3.09Å; L384-H387 PolarHBondContact O-N 2.84Å; L384-A391 HydrophobicContact CD2-CB 4.17Å; L384-A391 HydrophobicContact CG-CB 4.12Å; L384-L396 HydrophobicContact CD2-CB 3.86Å; L384-L396 VanDerWaalsContact CD2-O 3.26Å; L384-L396 WeakPolarHBondContact CD2-O 3.48Å
385H49.4Very low41.2Very low88 Ų8894.7 Ų94.741%0.40749%0.489SS..THydrogen-bonded Turntrans-70.4-21.7175.6-60.1-60.7000113.5E383E383-H385 VanDerWaalsContact C-N 3.25Å; E383-H385 PolarHBondContact O-N 2.76Å
386A46.6Very low43.1Very low70 Ų7087.3 Ų87.358%0.57946%0.455SS*.THydrogen-bonded Turntrans-90.1-17.1179.400000113E383 L384E383-A386 WeakPolarHBondContact O-CB 3.2Å; E383-A386 PolarHBondContact O-N 3.44Å; L384-A386 VanDerWaalsContact C-N 3.28Å; L384-A386 PolarHBondContact O-N 3.09Å
387H46.8Very low44.9Very low57 Ų5782.6 Ų82.626%0.26444%0.436SS..  trans-133.482.7-174.4-6697.3000112.5E383 L384 D389 M390 A391E383-H387 PolarHBondContact O-N 3.46Å; L384-H387 PolarHBondContact O-N 2.84Å; H387-D389 PolarHBondContact O-N 3.49Å; H387-M390 HydrophobicContact CB-CB 4.27Å; H387-M390 HydrophobicContact CB-CE 3.48Å; H387-M390 VanDerWaalsContact CB-CE 3.48Å; H387-M390 HydrophobicContact CB-CG 4.22Å; H387-M390 PolarHBondContact O-N 2.96Å; H387-A391 PolarHBondContact O-N 2.93Å
388P42Very low47.1Very low99 Ų9977.1 Ų77.164%0.64340%0.403SS*.Hα-helixtrans-57.6-23.8-178.5-2534.1000114.9A392P388-A392 WeakPolarHBondContact O-CB 3.5Å; P388-A392 PolarHBondContact O-N 3.23Å; P388-A392 VanDerWaalsContact O-N 3.09Å
389D33.6Very low49Very low84 Ų8469.3 Ų69.345%0.44937%0.37SS..Hα-helixtrans-72.4-30.5175.860.4-53.3000113.1H387 K393H387-D389 PolarHBondContact O-N 3.49Å; D389-K393 WeakPolarHBondContact O-CB 3.46Å; D389-K393 VanDerWaalsContact O-CG 3.26Å; D389-K393 WeakPolarHBondContact O-CG 3.3Å; D389-K393 PolarHBondContact O-N 3.05Å; D389-K393 VanDerWaalsContact O-N 3.15Å
390M43.8Very low51Low57 Ų5764.9 Ų64.928%0.28135%0.351SS..Hα-helixtrans-74.6-43.1172-70.9-159.7-86.700111.2H387 A392 K393 H394H387-M390 HydrophobicContact CB-CB 4.27Å; H387-M390 HydrophobicContact CB-CE 3.48Å; H387-M390 VanDerWaalsContact CB-CE 3.48Å; H387-M390 HydrophobicContact CB-CG 4.22Å; H387-M390 PolarHBondContact O-N 2.96Å; M390-A392 VanDerWaalsContact C-N 3.29Å; M390-A392 PolarHBondContact O-N 3.43Å; M390-K393 PolarHBondContact O-N 2.65Å; M390-H394 WeakPolarHBondContact O-CB 3.06Å; M390-H394 PolarHBondContact O-CD2 2.85Å; M390-H394 PolarHBondContact O-N 3.38Å
391A46.2Very low53Low19 Ų1964.8 Ų64.816%0.15736%0.357CS..Hα-helixtrans-54-46172.800000111.9L384 H387 H395 L396L384-A391 HydrophobicContact CD2-CB 4.17Å; L384-A391 HydrophobicContact CG-CB 4.12Å; H387-A391 PolarHBondContact O-N 2.93Å; A391-H395 PolarHBondContact O-N 3.39Å; A391-L396 CarbonylContact C-O 3.58Å; A391-L396 VanDerWaalsContact CA-O 3.23Å; A391-L396 WeakPolarHBondContact CA-O 3.15Å; A391-L396 VanDerWaalsContact CB-O 3.23Å; A391-L396 WeakPolarHBondContact CB-O 3.07Å; A391-L396 PolarHBondContact O-N 3.41Å
392A29.2Very low55.1Low68 Ų6864.3 Ų64.356%0.56236%0.36SS*.Hα-helixtrans-65.8-40.2177.800000113.6P388 M390P388-A392 WeakPolarHBondContact O-CB 3.5Å; P388-A392 PolarHBondContact O-N 3.23Å; P388-A392 VanDerWaalsContact O-N 3.09Å; M390-A392 VanDerWaalsContact C-N 3.29Å; M390-A392 PolarHBondContact O-N 3.43Å
393K36.2Very low57.4Low149 Ų14963.4 Ų63.465%0.64835%0.354SS*.Hα-helixtrans-70.7-33.6178.6-77.6172.6-176.3170.20113.3D389 M390D389-K393 WeakPolarHBondContact O-CB 3.46Å; D389-K393 VanDerWaalsContact O-CG 3.26Å; D389-K393 WeakPolarHBondContact O-CG 3.3Å; D389-K393 PolarHBondContact O-N 3.05Å; D389-K393 VanDerWaalsContact O-N 3.15Å; M390-K393 PolarHBondContact O-N 2.65Å
394H46.4Very low59.5Low72 Ų7260.2 Ų60.233%0.33334%0.341SS..Hα-helixtrans-94.5-6.8-177-69.8-77000113.4M390 L396M390-H394 WeakPolarHBondContact O-CB 3.06Å; M390-H394 PolarHBondContact O-CD2 2.85Å; M390-H394 PolarHBondContact O-N 3.38Å; H394-L396 PolarHBondContact O-N 2.9Å
395H54.5Low61.7Low138 Ų13863.1 Ų63.164%0.63935%0.353SS*.THydrogen-bonded Turntrans56.237-175.3-55.3-72.8000113A391A391-H395 PolarHBondContact O-N 3.39Å
396L64Low64Low17 Ų1759 Ų599%0.08934%0.335CS..  trans-121.7127.3176.3-68.4174.5000107.3L384 A391 H394 R490 H491 A494L384-L396 HydrophobicContact CD2-CB 3.86Å; L384-L396 VanDerWaalsContact CD2-O 3.26Å; L384-L396 WeakPolarHBondContact CD2-O 3.48Å; A391-L396 CarbonylContact C-O 3.58Å; A391-L396 VanDerWaalsContact CA-O 3.23Å; A391-L396 WeakPolarHBondContact CA-O 3.15Å; A391-L396 VanDerWaalsContact CB-O 3.23Å; A391-L396 WeakPolarHBondContact CB-O 3.07Å; A391-L396 PolarHBondContact O-N 3.41Å; H394-L396 PolarHBondContact O-N 2.9Å; L396-R490 HydrophobicContact CD2-CB 4.36Å; L396-H491 HydrophobicContact CD2-CB 4.01Å; L396-A494 HydrophobicContact CD2-CB 4.21Å
397V64.9Low66.4Low55 Ų5557.4 Ų57.433%0.33331%0.313SS..SBendtrans-86.3-24.8177.8-640000112Y437 I446 H491V397-Y437 HydrophobicContact CB-CE2 4.14Å; V397-Y437 HydrophobicContact CG2-CE1 4.31Å; V397-Y437 HydrophobicContact CG2-CE2 4.09Å; V397-I446 HydrophobicContact CB-CD1 4.46Å; V397-I446 HydrophobicContact CG1-CD1 4.21Å; V397-I446 HydrophobicContact CG2-CD1 3.55Å; V397-H491 VanDerWaalsContact CG2-NE2 3.29Å; V397-H491 WeakPolarHBondContact CG2-NE2 3.43Å
398D77.9Confident68.7Low4 Ų455.5 Ų55.52%0.02130%0.304CS..SBendtrans-156.6-161.2171.372.2-6.4000109.7G400 Y435 Y437 H491D398-G400 VanDerWaalsContact C-N 3.35Å; D398-G400 PolarHBondContact OD1-N 3.44Å; D398-Y435 PolarHBondContact OD1-OH 3.23Å; D398-Y435 PolarHBondContact OD2-OH 3.18Å; D398-Y437 HydrophobicContact CB-CD2 4.23Å; D398-Y437 WeakPolarHBondContact OD2-CB 3.43Å; D398-H491 IonicContact OD1-CD2 2.72Å; D398-H491 IonicContact OD1-CE1 3.96Å; D398-H491 IonicContact OD1-NE2 3.14Å; D398-H491 PolarHBondContact OD1-NE2 3.38Å
399D75.6Confident71.1Confident25 Ų2550.8 Ų50.813%0.13427%0.273CS..  trans-84.1-1.2179.173.2-19.1000114.6V381 S401 K497V381-D399 HydrophobicContact CB-CB 3.78Å; V381-D399 VanDerWaalsContact CG1-CA 3.49Å; V381-D399 HydrophobicContact CG1-CB 3.19Å; D399-S401 VanDerWaalsContact CG-OG 3.29Å; D399-S401 WeakPolarHBondContact OD1-CB 3.46Å; D399-S401 PolarHBondContact OD1-N 3.18Å; D399-S401 PolarHBondContact OD1-OG 3.49Å; D399-S401 WeakPolarHBondContact OD2-CB 3.11Å; D399-S401 PolarHBondContact OD2-OG 3.39Å; D399-K497 PolarHBondContact O-NZ 2.89Å
400G81.4Confident73.8Confident3 Ų348.9 Ų48.93%0.03126%0.262CS..SBendtrans78.416.2-173.600000114.7D398 Y435 K497D398-G400 VanDerWaalsContact C-N 3.35Å; D398-G400 PolarHBondContact OD1-N 3.44Å; G400-Y435 WeakPolarHBondContact CA-OH 3.44Å; G400-K497 WeakPolarHBondContact O-CE 3.42Å
401S84.6Confident75.8Confident83 Ų8352.9 Ų52.958%0.5828%0.284SS*.  trans-88.8-0.4-179.167.30000115.7D399 Y435D399-S401 VanDerWaalsContact CG-OG 3.29Å; D399-S401 WeakPolarHBondContact OD1-CB 3.46Å; D399-S401 PolarHBondContact OD1-N 3.18Å; D399-S401 PolarHBondContact OD1-OG 3.49Å; D399-S401 WeakPolarHBondContact OD2-CB 3.11Å; D399-S401 PolarHBondContact OD2-OG 3.39Å; S401-Y435 PolarHBondContact N-OH 2.87Å
402G87.8Confident77.7Confident24 Ų2455.8 Ų55.825%0.24730%0.297CS..SBendtrans-66.5177.2179.100000114.7Y435 T436G402-Y435 VanDerWaalsContact CA-CE2 3.48Å; G402-Y435 WeakPolarHBondContact CA-OH 3.44Å; G402-Y435 PolarHBondContact N-OH 3.48Å; G402-T436 CarbonylContact C-O 3.59Å; G402-T436 WeakPolarHBondContact CA-O 3.49Å
403E93.8Very high80.6Confident114 Ų11458.3 Ų58.353%0.53330%0.297SS..EExtended strand (participates in β ladder)trans-79.5135.2179.9-171.4-175.3158.200110.9K405 Y435 T436E403-K405 WeakPolarHBondContact OE1-CE 3.49Å; E403-K405 IonicContact OE1-NZ 3.38Å; E403-Y435 CarbonylContact O-C 3.58Å; E403-Y435 WeakPolarHBondContact O-CA 3.43Å; E403-T436 PolarHBondContact N-O 3.11Å; E403-T436 PolarHBondContact O-N 3.38Å
404V95.1Very high83.2Confident31 Ų3153.5 Ų53.519%0.18828%0.278CS..EExtended strand (participates in β ladder)trans-117.1128.5-178.9-170.10000109.9V406 V433 L434 Y435 I495 F496V404-V406 HydrophobicContact CG1-CG2 3.86Å; V404-V433 HydrophobicContact CG1-CG1 3.66Å; V404-L434 WeakPolarHBondContact CA-O 3.38Å; V404-Y435 HydrophobicContact CG2-CD2 4Å; V404-Y435 HydrophobicContact CG2-CE2 4.41Å; V404-I495 HydrophobicContact CB-CG2 4.45Å; V404-I495 HydrophobicContact CG1-CG2 4.27Å; V404-I495 HydrophobicContact CG2-CG2 3.28Å; V404-F496 HydrophobicContact CG1-CE1 4.47Å
405K96.3Very high85.5Confident68 Ų6851.2 Ų51.230%0.29627%0.271SS..EExtended strand (participates in β ladder)trans-119.4134.1166.1-65.6-178.9-176.3172.50109.3E403 W407 V433 L434E403-K405 WeakPolarHBondContact OE1-CE 3.49Å; E403-K405 IonicContact OE1-NZ 3.38Å; K405-W407 HydrophobicContact CB-CH2 3.43Å; K405-W407 VanDerWaalsContact CB-CH2 3.43Å; K405-W407 HydrophobicContact CB-CZ2 3.99Å; K405-W407 HydrophobicContact CB-CZ3 3.73Å; K405-W407 HydrophobicContact CD-CH2 4Å; K405-W407 HydrophobicContact CD-CZ2 4.24Å; K405-W407 HydrophobicContact CG-CH2 4.34Å; K405-V433 CarbonylContact O-C 3.54Å; K405-V433 WeakPolarHBondContact O-CA 3.26Å; K405-L434 HydrophobicContact CB-CB 4.46Å; K405-L434 PolarHBondContact N-O 2.93Å; K405-L434 PolarHBondContact O-N 3.38Å
406V97.1Very high87.4Confident3 Ų351.1 Ų51.12%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-124128-176.3-175.30000108.9V404 V417 H422 Y431 L432 V433V404-V406 HydrophobicContact CG1-CG2 3.86Å; V406-V417 HydrophobicContact CB-CB 4.09Å; V406-V417 HydrophobicContact CG1-CB 3.98Å; V406-V417 HydrophobicContact CG1-CG2 3.96Å; V406-V417 PolarHBondContact O-N 3.3Å; V406-H422 HydrophobicContact CG2-CB 4.47Å; V406-Y431 HydrophobicContact CG1-CD1 4.15Å; V406-L432 CarbonylContact C-O 3.49Å; V406-L432 WeakPolarHBondContact CA-O 3.45Å; V406-V433 HydrophobicContact CG1-CG2 4.19Å; V406-V433 HydrophobicContact CG2-CG1 4.2Å; V406-V433 HydrophobicContact CG2-CG2 4.23Å
407W96.9Very high88.8Confident36 Ų3650.6 Ų50.614%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-117.4145.8168.2-59.6-91.9000109.6K405 L414 A415 Y431 L432 L434K405-W407 HydrophobicContact CB-CH2 3.43Å; K405-W407 VanDerWaalsContact CB-CH2 3.43Å; K405-W407 HydrophobicContact CB-CZ2 3.99Å; K405-W407 HydrophobicContact CB-CZ3 3.73Å; K405-W407 HydrophobicContact CD-CH2 4Å; K405-W407 HydrophobicContact CD-CZ2 4.24Å; K405-W407 HydrophobicContact CG-CH2 4.34Å; W407-L414 HydrophobicContact CB-CD2 3.81Å; W407-L414 HydrophobicContact CG-CB 4.45Å; W407-L414 HydrophobicContact CG-CD2 4.1Å; W407-A415 CarbonylContact C-O 3.58Å; W407-A415 VanDerWaalsContact CA-O 3.25Å; W407-A415 WeakPolarHBondContact CA-O 3.38Å; W407-Y431 CarbonylContact O-C 3.44Å; W407-Y431 WeakPolarHBondContact O-CA 3.32Å; W407-Y431 WeakPolarHBondContact O-CB 3.36Å; W407-L432 HydrophobicContact CB-CB 4.47Å; W407-L432 HydrophobicContact CE3-CB 4.34Å; W407-L432 PolarHBondContact N-O 3.43Å; W407-L432 PolarHBondContact O-N 3.39Å; W407-L434 HydrophobicContact CH2-CB 4.07Å; W407-L434 HydrophobicContact CH2-CD2 4.19Å; W407-L434 HydrophobicContact CZ3-CB 3.59Å; W407-L434 HydrophobicContact CZ3-CD2 4.5Å
408R95.6Very high90Very high17 Ų1753.9 Ų53.96%0.06428%0.281CS..EExtended strand (participates in β ladder)trans-104.3145.9166.6177.4172.851.4-126.90.6108.4E410 A415 V417 D429 Y431 G508R408-E410 HydrophobicContact CG-CG 4.12Å; R408-E410 IonicContact CZ-OE1 3.74Å; R408-E410 IonicContact NE-OE1 2.71Å; R408-E410 PolarHBondContact NE-OE1 2.87Å; R408-E410 IonicContact NH2-OE1 3.19Å; R408-E410 PolarHBondContact NH2-OE1 2.83Å; R408-E410 PolarHBondContact O-N 3.01Å; R408-A415 PolarHBondContact N-O 3.35Å; R408-A415 PolarHBondContact O-N 2.82Å; R408-V417 HydrophobicContact CB-CG2 3.82Å; R408-D429 VanDerWaalsContact CD-OD2 3.3Å; R408-D429 WeakPolarHBondContact CD-OD2 3.27Å; R408-D429 HydrophobicContact CG-CB 4.16Å; R408-Y431 HydrophobicContact CB-CD1 3.88Å; R408-Y431 HydrophobicContact CB-CE1 3.76Å; R408-Y431 HydrophobicContact CG-CD1 4.33Å; R408-Y431 HydrophobicContact CG-CE1 3.95Å; R408-G508 PolarHBondContact NH1-O 3.27Å; R408-G508 PolarHBondContact NH2-O 2.74Å
409I92.9Very high90.6Very high0 Ų058.6 Ų58.60%031%0.311CS..EExtended strand (participates in β ladder)trans-79.9116.9170.8-54.9-55000108.8E413 L414 C430 L432 E459 A462 C463 Q466I409-E413 WeakPolarHBondContact CA-O 3.28Å; I409-L414 HydrophobicContact CD1-CD2 4.11Å; I409-C430 HydrophobicContact CB-CB 4.33Å; I409-C430 HydrophobicContact CG1-CB 3.98Å; I409-C430 PolarHBondContact N-O 3.11Å; I409-L432 HydrophobicContact CD1-CD1 4.26Å; I409-E459 HydrophobicContact CG2-CB 4.46Å; I409-E459 HydrophobicContact CG2-CG 4.42Å; I409-A462 HydrophobicContact CG2-CB 3.89Å; I409-C463 HydrophobicContact CD1-CB 4.41Å; I409-C463 HydrophobicContact CG1-CB 3.85Å; I409-Q466 HydrophobicContact CD1-CB 4.12Å; I409-Q466 HydrophobicContact CD1-CG 4.14Å
410E89.8Confident91.1Very high44 Ų4462.9 Ų62.921%0.20633%0.334CS..EExtended strand (participates in β ladder)trans-130.2127.2176.4-65.1-173-174.300109.5R408 L412 E413 A415 R509R408-E410 HydrophobicContact CG-CG 4.12Å; R408-E410 IonicContact CZ-OE1 3.74Å; R408-E410 IonicContact NE-OE1 2.71Å; R408-E410 PolarHBondContact NE-OE1 2.87Å; R408-E410 IonicContact NH2-OE1 3.19Å; R408-E410 PolarHBondContact NH2-OE1 2.83Å; R408-E410 PolarHBondContact O-N 3.01Å; E410-L412 PolarHBondContact O-N 2.88Å; E410-L412 VanDerWaalsContact O-N 3.13Å; E410-E413 PolarHBondContact N-O 2.74Å; E410-E413 PolarHBondContact O-N 2.79Å; E410-A415 HydrophobicContact CB-CB 3.98Å; E410-A415 VanDerWaalsContact CD-CB 3.49Å; E410-A415 HydrophobicContact CG-CB 3.71Å; E410-R509 HydrophobicContact CG-CG 3.86Å; E410-R509 WeakPolarHBondContact OE1-CG 3.31Å
411N86.1Confident91.4Very high141 Ų14165.1 Ų65.175%0.75434%0.344SS*.THydrogen-bonded Turntrans50.936.8-176.6-53.6-48.3000112.5E413N411-E413 PolarHBondContact O-N 2.83Å
412L85.4Confident91.7Very high80 Ų8063.4 Ų63.442%0.41933%0.327SS..THydrogen-bonded Turntrans688.5-177.1-43.8177.9000115.7E410 D458 A462 Q466E410-L412 PolarHBondContact O-N 2.88Å; E410-L412 VanDerWaalsContact O-N 3.13Å; L412-D458 HydrophobicContact CD2-CB 3.99Å; L412-A462 HydrophobicContact CB-CB 3.85Å; L412-A462 HydrophobicContact CD2-CB 3.75Å; L412-A462 HydrophobicContact CG-CB 4.39Å; L412-Q466 PolarHBondContact O-NE2 2.85Å; L412-Q466 VanDerWaalsContact O-NE2 3.09Å
413E89.3Confident91.8Very high120 Ų12062.3 Ų62.356%0.56132%0.316SS*.EExtended strand (participates in β ladder)trans-115.5166.2179.4-67.4-64.4168.600112.5I409 E410 N411 A415 Q466I409-E413 WeakPolarHBondContact CA-O 3.28Å; E410-E413 PolarHBondContact N-O 2.74Å; E410-E413 PolarHBondContact O-N 2.79Å; N411-E413 PolarHBondContact O-N 2.83Å; E413-A415 PolarHBondContact O-N 3.09Å; E413-Q466 PolarHBondContact OE2-NE2 2.84Å
414L91.8Very high91.7Very high49 Ų4959.3 Ų59.326%0.25730%0.302SS..EExtended strand (participates in β ladder)trans-77.2116.1175.9-68.3172.4000111.1W407 I409 L432 Q466 V470W407-L414 HydrophobicContact CB-CD2 3.81Å; W407-L414 HydrophobicContact CG-CB 4.45Å; W407-L414 HydrophobicContact CG-CD2 4.1Å; I409-L414 HydrophobicContact CD1-CD2 4.11Å; L414-L432 HydrophobicContact CD2-CD1 3.57Å; L414-Q466 HydrophobicContact CD2-CB 3.86Å; L414-Q466 HydrophobicContact CD2-CG 4.34Å; L414-Q466 HydrophobicContact CG-CB 4.1Å; L414-Q466 HydrophobicContact CG-CG 4.21Å; L414-V470 HydrophobicContact CD1-CG2 3.78Å; L414-V470 HydrophobicContact CD2-CG2 4.48Å
415A94.2Very high91.7Very high23 Ų2357.9 Ų57.919%0.1929%0.293CS..EExtended strand (participates in β ladder)trans-109.2119.616800000109.9W407 R408 E410 E413 V417W407-A415 CarbonylContact C-O 3.58Å; W407-A415 VanDerWaalsContact CA-O 3.25Å; W407-A415 WeakPolarHBondContact CA-O 3.38Å; R408-A415 PolarHBondContact N-O 3.35Å; R408-A415 PolarHBondContact O-N 2.82Å; E410-A415 HydrophobicContact CB-CB 3.98Å; E410-A415 VanDerWaalsContact CD-CB 3.49Å; E410-A415 HydrophobicContact CG-CB 3.71Å; E413-A415 PolarHBondContact O-N 3.09Å; A415-V417 PolarHBondContact O-N 3.4Å
416E94.6Very high91.5Very high137 Ų13756.3 Ų56.364%0.6429%0.286SS*.EExtended strand (participates in β ladder)trans-69.3130.9180-170.1173.1176.500111.3
417V94.1Very high91.1Very high6 Ų656.2 Ų56.24%0.03629%0.285CS..PPolyproline II helixtrans-88.9131.7178.8179.10000109.2V406 R408 A415 M421 H422 Y431V406-V417 HydrophobicContact CB-CB 4.09Å; V406-V417 HydrophobicContact CG1-CB 3.98Å; V406-V417 HydrophobicContact CG1-CG2 3.96Å; V406-V417 PolarHBondContact O-N 3.3Å; R408-V417 HydrophobicContact CB-CG2 3.82Å; A415-V417 PolarHBondContact O-N 3.4Å; V417-M421 HydrophobicContact CG1-CB 3.76Å; V417-H422 PolarHBondContact O-NE2 2.99Å; V417-Y431 HydrophobicContact CG2-CD1 4.36Å; V417-Y431 HydrophobicContact CG2-CE1 4.31Å
418Q89.8Confident90.7Very high124 Ų12455.2 Ų55.258%0.57929%0.286SS*.PPolyproline II helixtrans-59.7142.5-179.4-65-1746.300111.8N420 M421 H422Q418-N420 WeakPolarHBondContact CB-OD1 3.3Å; Q418-N420 PolarHBondContact O-N 3.43Å; Q418-N420 VanDerWaalsContact O-N 3.13Å; Q418-M421 WeakPolarHBondContact O-CA 3.44Å; Q418-M421 WeakPolarHBondContact O-CB 3.36Å; Q418-M421 PolarHBondContact O-N 2.86Å; Q418-H422 PolarHBondContact O-CD2 3.05Å; Q418-H422 VanDerWaalsContact O-CD2 3.29Å; Q418-H422 PolarHBondContact O-N 2.85Å
419P89.4Confident90.6Very high102 Ų10254.4 Ų54.466%0.66228%0.283SS*.G310 helixtrans-56.7-31.3-176.3-29.235.8000115.7M421 H422P419-M421 PolarHBondContact O-N 2.82Å; P419-H422 WeakPolarHBondContact O-CB 3.33Å; P419-H422 PolarHBondContact O-N 3.28Å
420N86.2Confident90.6Very high116 Ų11654.4 Ų54.462%0.6228%0.283SS*.G310 helixtrans-69.8-17.3176.261.7-13.1000113.7Q418Q418-N420 WeakPolarHBondContact CB-OD1 3.3Å; Q418-N420 PolarHBondContact O-N 3.43Å; Q418-N420 VanDerWaalsContact O-N 3.13Å
421M87.6Confident90.9Very high50 Ų5052.3 Ų52.325%0.24627%0.273CS..G310 helixtrans-99.7-0.2176.4-62.2-171.371.700112.3V417 Q418 P419 G423 Q424V417-M421 HydrophobicContact CG1-CB 3.76Å; Q418-M421 WeakPolarHBondContact O-CA 3.44Å; Q418-M421 WeakPolarHBondContact O-CB 3.36Å; Q418-M421 PolarHBondContact O-N 2.86Å; P419-M421 PolarHBondContact O-N 2.82Å; M421-G423 PolarHBondContact O-N 3.23Å; M421-Q424 WeakPolarHBondContact O-CB 3.36Å; M421-Q424 PolarHBondContact O-N 3.07Å
422H91.8Very high91.4Very high47 Ų4745.6 Ų45.622%0.21824%0.237CC..THydrogen-bonded Turntrans-61.1133174.2-70.1-174.6000110.1V406 V417 Q418 P419V406-H422 HydrophobicContact CG2-CB 4.47Å; V417-H422 PolarHBondContact O-NE2 2.99Å; Q418-H422 PolarHBondContact O-CD2 3.05Å; Q418-H422 VanDerWaalsContact O-CD2 3.29Å; Q418-H422 PolarHBondContact O-N 2.85Å; P419-H422 WeakPolarHBondContact O-CB 3.33Å; P419-H422 PolarHBondContact O-N 3.28Å
423G89.8Confident91.9Very high1 Ų141.8 Ų41.81%0.0122%0.217CC..THydrogen-bonded Turntrans92.2-5.5-172.100000114.2M421 F496 L500 I501M421-G423 PolarHBondContact O-N 3.23Å; G423-F496 VanDerWaalsContact CA-CD1 3.42Å; G423-L500 CarbonylContact O-C 3.55Å; G423-L500 WeakPolarHBondContact O-CA 3.31Å; G423-I501 PolarHBondContact O-N 3.06Å
424Q92.1Very high92.2Very high51 Ų5136.1 Ų36.124%0.23819%0.19CC..EExtended strand (participates in β ladder)trans-102.9112.9174.7-64177.443.200110.6M421 I501 F503M421-Q424 WeakPolarHBondContact O-CB 3.36Å; M421-Q424 PolarHBondContact O-N 3.07Å; Q424-I501 WeakPolarHBondContact CA-O 3.45Å; Q424-I501 HydrophobicContact CG-CB 4.48Å; Q424-I501 HydrophobicContact CG-CD1 4.06Å; Q424-F503 HydrophobicContact CB-CE2 4.14Å; Q424-F503 HydrophobicContact CG-CE2 4.41Å
425F94.1Very high92.3Very high1 Ų133.8 Ų33.80%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-118.7136.2-178.2-66.9-95.9000110.4Y431 V433 W450 F492 F496 L500 I501 I502 F503F425-Y431 HydrophobicContact CB-CE2 4.43Å; F425-Y431 HydrophobicContact CD1-CD1 4.16Å; F425-Y431 AromaticContact CD1-CD2 3.6Å; F425-Y431 HydrophobicContact CD1-CD2 3.6Å; F425-Y431 HydrophobicContact CD1-CE2 4.08Å; F425-Y431 AromaticContact CD1-CG 3.66Å; F425-Y431 HydrophobicContact CD1-CG 3.66Å; F425-Y431 HydrophobicContact CE1-CD1 4.24Å; F425-Y431 HydrophobicContact CE1-CD2 4.24Å; F425-Y431 AromaticContact CE1-CG 3.84Å; F425-Y431 HydrophobicContact CE1-CG 3.84Å; F425-V433 HydrophobicContact CE1-CG2 3.88Å; F425-V433 HydrophobicContact CZ-CG2 3.82Å; F425-W450 HydrophobicContact CB-CD2 4.41Å; F425-W450 HydrophobicContact CB-CE3 4.37Å; F425-W450 HydrophobicContact CB-CH2 3.87Å; F425-W450 HydrophobicContact CB-CZ2 3.94Å; F425-W450 HydrophobicContact CB-CZ3 4.1Å; F425-W450 HydrophobicContact CD1-CB 4.39Å; F425-W450 AromaticContact CD1-CD2 3.86Å; F425-W450 HydrophobicContact CD1-CD2 3.86Å; F425-W450 AromaticContact CD1-CE3 3.99Å; F425-W450 HydrophobicContact CD1-CE3 3.99Å; F425-W450 HydrophobicContact CD1-CG 4.06Å; F425-W450 HydrophobicContact CE1-CB 4.3Å; F425-W450 HydrophobicContact CE1-CG 4.35Å; F425-W450 HydrophobicContact CG-CD2 4.38Å; F425-F492 AromaticContact CE1-CZ 3.98Å; F425-F492 HydrophobicContact CE1-CZ 3.98Å; F425-F492 HydrophobicContact CE2-CE1 4.3Å; F425-F492 HydrophobicContact CE2-CZ 4.06Å; F425-F492 HydrophobicContact CZ-CE1 4.31Å; F425-F492 HydrophobicContact CZ-CE2 4.5Å; F425-F492 AromaticContact CZ-CZ 3.62Å; F425-F492 HydrophobicContact CZ-CZ 3.62Å; F425-F496 HydrophobicContact CE2-CE1 4.2Å; F425-F496 AromaticContact CE2-CE2 3.88Å; F425-F496 HydrophobicContact CE2-CE2 3.88Å; F425-F496 AromaticContact CE2-CZ 3.67Å; F425-F496 HydrophobicContact CE2-CZ 3.67Å; F425-F496 HydrophobicContact CZ-CE1 4.38Å; F425-F496 HydrophobicContact CZ-CE2 4.09Å; F425-F496 AromaticContact CZ-CZ 3.64Å; F425-F496 HydrophobicContact CZ-CZ 3.64Å; F425-L500 HydrophobicContact CD2-CD1 3.4Å; F425-L500 HydrophobicContact CE2-CD1 3.49Å; F425-L500 VanDerWaalsContact CE2-CD1 3.49Å; F425-I501 PolarHBondContact N-O 2.85Å; F425-I502 CarbonylContact O-C 3.08Å; F425-I502 WeakPolarHBondContact O-CA 3.5Å; F425-F503 WeakPolarHBondContact O-CD2 3.45Å; F425-F503 PolarHBondContact O-N 2.82Å
426Y93.4Very high92.2Very high35 Ų3533.6 Ų33.614%0.13718%0.175CC..EExtended strand (participates in β ladder)trans-108.4129.9179.9-67.3-99.7000110.2G428 D429 Y431 W450 F503Y426-G428 PolarHBondContact O-N 3.06Å; Y426-G428 VanDerWaalsContact O-N 3.08Å; Y426-D429 PolarHBondContact O-N 3.26Å; Y426-Y431 WeakPolarHBondContact CD2-OH 3.26Å; Y426-Y431 PolarHBondContact N-OH 2.86Å; Y426-W450 WeakPolarHBondContact O-CZ3 3.37Å; Y426-F503 HydrophobicContact CD1-CB 3.68Å; Y426-F503 AromaticContact CD1-CD2 3.81Å; Y426-F503 HydrophobicContact CD1-CD2 3.81Å; Y426-F503 AromaticContact CD1-CG 3.83Å; Y426-F503 HydrophobicContact CD1-CG 3.83Å; Y426-F503 HydrophobicContact CD2-CD2 4.14Å; Y426-F503 HydrophobicContact CE1-CB 4.06Å; Y426-F503 HydrophobicContact CE1-CD1 4.25Å; Y426-F503 AromaticContact CE1-CD2 3.56Å; Y426-F503 HydrophobicContact CE1-CD2 3.56Å; Y426-F503 HydrophobicContact CE1-CE2 4.03Å; Y426-F503 AromaticContact CE1-CG 3.69Å; Y426-F503 HydrophobicContact CE1-CG 3.69Å; Y426-F503 AromaticContact CE2-CD2 3.92Å; Y426-F503 HydrophobicContact CE2-CD2 3.92Å; Y426-F503 HydrophobicContact CE2-CE2 4.08Å; Y426-F503 HydrophobicContact CG-CB 4.25Å; Y426-F503 HydrophobicContact CG-CD2 4.1Å; Y426-F503 HydrophobicContact CG-CG 4.47Å; Y426-F503 AromaticContact CZ-CD2 3.63Å; Y426-F503 AromaticContact CZ-CE2 3.71Å
427G88.2Confident91.8Very high0 Ų028.3 Ų28.30%015%0.149CC..THydrogen-bonded Turntrans-61.7-16.1-17800000114.7G452 R453 H454 A455 F503G427-G452 CarbonylContact O-C 3.18Å; G427-G452 WeakPolarHBondContact O-CA 3.3Å; G427-R453 PolarHBondContact O-N 2.92Å; G427-R453 VanDerWaalsContact O-N 3.14Å; G427-H454 CarbonylContact O-C 3.52Å; G427-H454 WeakPolarHBondContact O-CA 3.17Å; G427-H454 PolarHBondContact O-N 3.39Å; G427-A455 PolarHBondContact O-N 3.44Å; G427-F503 PolarHBondContact N-O 2.92Å
428G89.5Confident91.1Very high15 Ų1535.4 Ų35.416%0.15518%0.175CC..THydrogen-bonded Turntrans-88.9-1.1174.100000115.6Y426 G506Y426-G428 PolarHBondContact O-N 3.06Å; Y426-G428 VanDerWaalsContact O-N 3.08Å; G428-G506 VanDerWaalsContact CA-O 3.26Å; G428-G506 WeakPolarHBondContact CA-O 3.3Å; G428-G506 PolarHBondContact N-O 3.33Å
429D93.5Very high90.2Very high0 Ų031.8 Ų31.80%016%0.161CC..SBendtrans-121.1165-177.1-65.3-45.6000111.9R408 Y426 Y431 G452 T507 G508 R509R408-D429 VanDerWaalsContact CD-OD2 3.3Å; R408-D429 WeakPolarHBondContact CD-OD2 3.27Å; R408-D429 HydrophobicContact CG-CB 4.16Å; Y426-D429 PolarHBondContact O-N 3.26Å; D429-Y431 HydrophobicContact CB-CD2 4.32Å; D429-Y431 HydrophobicContact CB-CE2 3.47Å; D429-Y431 VanDerWaalsContact CB-CE2 3.47Å; D429-Y431 PolarHBondContact OD2-OH 3.16Å; D429-G452 WeakPolarHBondContact O-CA 3.4Å; D429-G452 PolarHBondContact O-N 3.37Å; D429-G452 VanDerWaalsContact O-N 3.08Å; D429-T507 WeakPolarHBondContact OD1-CB 3.46Å; D429-T507 PolarHBondContact OD1-OG1 3.1Å; D429-T507 WeakPolarHBondContact OD2-CA 3.35Å; D429-T507 PolarHBondContact OD2-OG1 3.21Å; D429-G508 PolarHBondContact OD2-N 3.09Å; D429-R509 IonicContact OD1-CZ 2.87Å; D429-R509 IonicContact OD1-NE 3.95Å; D429-R509 PolarHBondContact OD1-NE 2.76Å; D429-R509 IonicContact OD1-NH2 3.69Å; D429-R509 PolarHBondContact OD1-NH2 2.82Å
430C92.3Very high89.3Confident0 Ų032.4 Ų32.40%017%0.168CC..EExtended strand (participates in β ladder)trans-111.4147165.9-69.90000111.1I409 W450 A455 C463I409-C430 HydrophobicContact CB-CB 4.33Å; I409-C430 HydrophobicContact CG1-CB 3.98Å; I409-C430 PolarHBondContact N-O 3.11Å; C430-W450 WeakPolarHBondContact CA-O 3.42Å; C430-A455 VanDerWaalsContact SG-CB 3.57Å; C430-C463 HydrophobicContact CB-CB 3.77Å
431Y96.6Very high88.7Confident1 Ų133.9 Ų33.90%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-133146-176.6-60.2-100.7000111.9V406 W407 R408 V417 F425 Y426 D429 M449 W450V406-Y431 HydrophobicContact CG1-CD1 4.15Å; W407-Y431 CarbonylContact O-C 3.44Å; W407-Y431 WeakPolarHBondContact O-CA 3.32Å; W407-Y431 WeakPolarHBondContact O-CB 3.36Å; R408-Y431 HydrophobicContact CB-CD1 3.88Å; R408-Y431 HydrophobicContact CB-CE1 3.76Å; R408-Y431 HydrophobicContact CG-CD1 4.33Å; R408-Y431 HydrophobicContact CG-CE1 3.95Å; V417-Y431 HydrophobicContact CG2-CD1 4.36Å; V417-Y431 HydrophobicContact CG2-CE1 4.31Å; F425-Y431 HydrophobicContact CB-CE2 4.43Å; F425-Y431 HydrophobicContact CD1-CD1 4.16Å; F425-Y431 AromaticContact CD1-CD2 3.6Å; F425-Y431 HydrophobicContact CD1-CD2 3.6Å; F425-Y431 HydrophobicContact CD1-CE2 4.08Å; F425-Y431 AromaticContact CD1-CG 3.66Å; F425-Y431 HydrophobicContact CD1-CG 3.66Å; F425-Y431 HydrophobicContact CE1-CD1 4.24Å; F425-Y431 HydrophobicContact CE1-CD2 4.24Å; F425-Y431 AromaticContact CE1-CG 3.84Å; F425-Y431 HydrophobicContact CE1-CG 3.84Å; Y426-Y431 WeakPolarHBondContact CD2-OH 3.26Å; Y426-Y431 PolarHBondContact N-OH 2.86Å; D429-Y431 HydrophobicContact CB-CD2 4.32Å; D429-Y431 HydrophobicContact CB-CE2 3.47Å; D429-Y431 VanDerWaalsContact CB-CE2 3.47Å; D429-Y431 PolarHBondContact OD2-OH 3.16Å; Y431-M449 CarbonylContact O-C 3.54Å; Y431-W450 AromaticContact CD2-CE3 3.67Å; Y431-W450 HydrophobicContact CD2-CE3 3.67Å; Y431-W450 HydrophobicContact CD2-CZ3 4.01Å; Y431-W450 HydrophobicContact CE2-CE3 4.22Å; Y431-W450 HydrophobicContact CE2-CZ3 4.09Å; Y431-W450 PolarHBondContact N-O 3.35Å; Y431-W450 PolarHBondContact O-N 3.37Å
432L95.8Very high88.2Confident0 Ų040.4 Ų40.40%020%0.198CC..EExtended strand (participates in β ladder)trans-110.1125.3166.2-69.7170.8000108.9V406 W407 I409 L414 L447 Y448 M449 Q466 A467 V470V406-L432 CarbonylContact C-O 3.49Å; V406-L432 WeakPolarHBondContact CA-O 3.45Å; W407-L432 HydrophobicContact CB-CB 4.47Å; W407-L432 HydrophobicContact CE3-CB 4.34Å; W407-L432 PolarHBondContact N-O 3.43Å; W407-L432 PolarHBondContact O-N 3.39Å; I409-L432 HydrophobicContact CD1-CD1 4.26Å; L414-L432 HydrophobicContact CD2-CD1 3.57Å; L432-L447 HydrophobicContact CB-CD1 4.27Å; L432-L447 HydrophobicContact CD2-CD1 4.32Å; L432-L447 HydrophobicContact CD2-CG 4.47Å; L432-Y448 CarbonylContact C-O 3.59Å; L432-Y448 WeakPolarHBondContact CA-O 3.36Å; L432-M449 HydrophobicContact CD2-CB 4.13Å; L432-M449 HydrophobicContact CD2-CG 3.55Å; L432-Q466 HydrophobicContact CD1-CB 3.8Å; L432-A467 HydrophobicContact CD2-CB 3.78Å; L432-V470 HydrophobicContact CD1-CG2 4.4Å
433V96.6Very high87.9Confident0 Ų042.3 Ų42.30%021%0.207CC..EExtended strand (participates in β ladder)trans-119.6108.3178.4-177.20000108.3V404 K405 V406 F425 Y448 F492 F496V404-V433 HydrophobicContact CG1-CG1 3.66Å; K405-V433 CarbonylContact O-C 3.54Å; K405-V433 WeakPolarHBondContact O-CA 3.26Å; V406-V433 HydrophobicContact CG1-CG2 4.19Å; V406-V433 HydrophobicContact CG2-CG1 4.2Å; V406-V433 HydrophobicContact CG2-CG2 4.23Å; F425-V433 HydrophobicContact CE1-CG2 3.88Å; F425-V433 HydrophobicContact CZ-CG2 3.82Å; V433-Y448 PolarHBondContact N-O 2.96Å; V433-Y448 PolarHBondContact O-N 2.96Å; V433-F492 HydrophobicContact CB-CE2 4.33Å; V433-F492 HydrophobicContact CG2-CE2 4.04Å; V433-F492 HydrophobicContact CG2-CZ 4.4Å; V433-F496 HydrophobicContact CG1-CZ 4.3Å
434L95.9Very high87.5Confident0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-91.1119.3172.5-178.973.2000109V404 K405 W407 Y445 I446 L447 Y474 P478V404-L434 WeakPolarHBondContact CA-O 3.38Å; K405-L434 HydrophobicContact CB-CB 4.46Å; K405-L434 PolarHBondContact N-O 2.93Å; K405-L434 PolarHBondContact O-N 3.38Å; W407-L434 HydrophobicContact CH2-CB 4.07Å; W407-L434 HydrophobicContact CH2-CD2 4.19Å; W407-L434 HydrophobicContact CZ3-CB 3.59Å; W407-L434 HydrophobicContact CZ3-CD2 4.5Å; L434-Y445 HydrophobicContact CD1-CD1 4.39Å; L434-I446 CarbonylContact C-O 3.58Å; L434-I446 WeakPolarHBondContact CA-O 3.47Å; L434-L447 HydrophobicContact CB-CD1 4.22Å; L434-L447 HydrophobicContact CD1-CB 4.4Å; L434-L447 HydrophobicContact CD1-CD1 4.4Å; L434-Y474 HydrophobicContact CD2-CD2 4.2Å; L434-Y474 HydrophobicContact CD2-CE1 4.02Å; L434-Y474 HydrophobicContact CD2-CE2 3.42Å; L434-Y474 VanDerWaalsContact CD2-CE2 3.42Å; L434-Y474 VanDerWaalsContact CD2-OH 3.27Å; L434-Y474 WeakPolarHBondContact CD2-OH 3.17Å; L434-P478 HydrophobicContact CD1-CB 4.48Å; L434-P478 HydrophobicContact CD1-CG 4.32Å
435Y93.5Very high87.2Confident0 Ų045.4 Ų45.40%022%0.22CC..EExtended strand (participates in β ladder)trans-106.4125.6174.2-178.8-109.9000110D398 G400 S401 G402 E403 V404 Y437 Y445 I446 H491 I495D398-Y435 PolarHBondContact OD1-OH 3.23Å; D398-Y435 PolarHBondContact OD2-OH 3.18Å; G400-Y435 WeakPolarHBondContact CA-OH 3.44Å; S401-Y435 PolarHBondContact N-OH 2.87Å; G402-Y435 VanDerWaalsContact CA-CE2 3.48Å; G402-Y435 WeakPolarHBondContact CA-OH 3.44Å; G402-Y435 PolarHBondContact N-OH 3.48Å; E403-Y435 CarbonylContact O-C 3.58Å; E403-Y435 WeakPolarHBondContact O-CA 3.43Å; V404-Y435 HydrophobicContact CG2-CD2 4Å; V404-Y435 HydrophobicContact CG2-CE2 4.41Å; Y435-Y437 AromaticContact CD1-CD1 3.78Å; Y435-Y437 HydrophobicContact CD1-CD1 3.78Å; Y435-Y437 HydrophobicContact CD1-CG 4.32Å; Y435-Y437 AromaticContact CE1-CD1 3.78Å; Y435-Y437 HydrophobicContact CE1-CD1 3.78Å; Y435-Y437 AromaticContact CE1-CG 3.85Å; Y435-Y437 HydrophobicContact CE1-CG 3.85Å; Y435-Y445 CarbonylContact O-C 3.45Å; Y435-Y445 WeakPolarHBondContact O-CA 3.42Å; Y435-I446 PolarHBondContact N-O 2.8Å; Y435-I446 PolarHBondContact O-N 2.93Å; Y435-H491 AromaticContact CD1-CE1 3.55Å; Y435-H491 AromaticContact CE1-CE1 3.44Å; Y435-H491 VanDerWaalsContact CE1-CE1 3.44Å; Y435-H491 WeakPolarHBondContact CE1-CE1 3.5Å; Y435-H491 AromaticContact CE1-NE2 3.65Å; Y435-I495 HydrophobicContact CD1-CD1 4.2Å; Y435-I495 HydrophobicContact CD2-CD1 3.76Å; Y435-I495 HydrophobicContact CD2-CG1 3.78Å; Y435-I495 HydrophobicContact CD2-CG2 4Å; Y435-I495 HydrophobicContact CE2-CD1 4.24Å; Y435-I495 HydrophobicContact CE2-CG1 3.78Å; Y435-I495 HydrophobicContact CE2-CG2 4.22Å; Y435-I495 HydrophobicContact CG-CD1 3.7Å; Y435-I495 HydrophobicContact CG-CG1 4.17Å
436T92.2Very high86.8Confident19 Ų1945.8 Ų45.812%0.11722%0.222CC..EExtended strand (participates in β ladder)trans-114.6121.2179.2-52.40000109.6G402 E403 E443 Q444 Y445G402-T436 CarbonylContact C-O 3.59Å; G402-T436 WeakPolarHBondContact CA-O 3.49Å; E403-T436 PolarHBondContact N-O 3.11Å; E403-T436 PolarHBondContact O-N 3.38Å; T436-E443 HydrophobicContact CG2-CB 4.27Å; T436-E443 HydrophobicContact CG2-CG 4.3Å; T436-Q444 WeakPolarHBondContact CA-O 3.16Å; T436-Y445 HydrophobicContact CG2-CD1 3.83Å; T436-Y445 HydrophobicContact CG2-CE1 3.52Å; T436-Y445 WeakPolarHBondContact OG1-CD1 3.38Å
437Y85.8Confident86.5Confident27 Ų2744.1 Ų44.111%0.10622%0.215CC..EExtended strand (participates in β ladder)trans-132.2163.6-179.767-69.8000110.8V397 D398 Y435 V439 E443 Q444 I446V397-Y437 HydrophobicContact CB-CE2 4.14Å; V397-Y437 HydrophobicContact CG2-CE1 4.31Å; V397-Y437 HydrophobicContact CG2-CE2 4.09Å; D398-Y437 HydrophobicContact CB-CD2 4.23Å; D398-Y437 WeakPolarHBondContact OD2-CB 3.43Å; Y435-Y437 AromaticContact CD1-CD1 3.78Å; Y435-Y437 HydrophobicContact CD1-CD1 3.78Å; Y435-Y437 HydrophobicContact CD1-CG 4.32Å; Y435-Y437 AromaticContact CE1-CD1 3.78Å; Y435-Y437 HydrophobicContact CE1-CD1 3.78Å; Y435-Y437 AromaticContact CE1-CG 3.85Å; Y435-Y437 HydrophobicContact CE1-CG 3.85Å; Y437-V439 HydrophobicContact CD2-CG2 3.77Å; Y437-V439 HydrophobicContact CE2-CG2 3.47Å; Y437-V439 VanDerWaalsContact CE2-CG2 3.47Å; Y437-E443 CarbonylContact O-C 3.45Å; Y437-E443 WeakPolarHBondContact O-CA 3.34Å; Y437-Q444 HydrophobicContact CD1-CB 3.9Å; Y437-Q444 VanDerWaalsContact CD1-O 3.31Å; Y437-Q444 WeakPolarHBondContact CD1-O 3.4Å; Y437-Q444 HydrophobicContact CD2-CB 4.3Å; Y437-Q444 HydrophobicContact CE1-CB 3.4Å; Y437-Q444 HydrophobicContact CE2-CB 3.88Å; Y437-Q444 HydrophobicContact CE2-CG 4.38Å; Y437-Q444 HydrophobicContact CG-CB 4.31Å; Y437-Q444 PolarHBondContact N-O 2.92Å; Y437-Q444 PolarHBondContact O-N 3.17Å; Y437-I446 HydrophobicContact CE1-CD1 4.12Å; Y437-I446 HydrophobicContact CE1-CG1 3.93Å
438R79.6Confident86.4Confident154 Ų15444.5 Ų44.558%0.58122%0.217SC*.EExtended strand (participates in β ladder)trans-112.8129.3-177.1-73.9-176.8176.9162.92.5111.4R442 E443R438-R442 WeakPolarHBondContact CA-O 3.28Å; R438-E443 HydrophobicContact CG-CG 4.01Å; R438-E443 IonicContact CZ-OE1 2.85Å; R438-E443 IonicContact NE-OE1 3.89Å; R438-E443 PolarHBondContact NE-OE1 3.45Å; R438-E443 IonicContact NH2-OE1 3.84Å; R438-E443 PolarHBondContact NH2-OE1 2.91Å
439V69.9Low86.3Confident48 Ų4845 Ų4529%0.29122%0.215SC..EExtended strand (participates in β ladder)trans-124.9122.7170.8-178.30000107.8Y437 N441 R442 Q444Y437-V439 HydrophobicContact CD2-CG2 3.77Å; Y437-V439 HydrophobicContact CE2-CG2 3.47Å; Y437-V439 VanDerWaalsContact CE2-CG2 3.47Å; V439-N441 PolarHBondContact O-N 2.77Å; V439-N441 VanDerWaalsContact O-N 3.16Å; V439-R442 PolarHBondContact N-O 2.97Å; V439-R442 PolarHBondContact O-N 2.95Å; V439-Q444 HydrophobicContact CB-CG 4.25Å; V439-Q444 HydrophobicContact CG2-CG 4.13Å
440S71.8Confident86.2Confident115 Ų11545 Ų4580%0.80422%0.215SC*.THydrogen-bonded Turntrans50.841.5179.3-58.90000113.3R442S440-R442 PolarHBondContact O-N 3.27Å
441N73.9Confident85.9Confident148 Ų14845.6 Ų45.679%0.79122%0.218SC*.THydrogen-bonded Turntrans63.120.8-178.1-149.337.5000115.3V439V439-N441 PolarHBondContact O-N 2.77Å; V439-N441 VanDerWaalsContact O-N 3.16Å
442R75.5Confident85.3Confident187 Ų18745.8 Ų45.871%0.70622%0.221SC*.EExtended strand (participates in β ladder)trans-113.1137.6168.7-64.6-175.7179.9-174.4-0.8109.8R438 V439 S440R438-R442 WeakPolarHBondContact CA-O 3.28Å; V439-R442 PolarHBondContact N-O 2.97Å; V439-R442 PolarHBondContact O-N 2.95Å; S440-R442 PolarHBondContact O-N 3.27Å
443E86.1Confident84.6Confident86 Ų8649.4 Ų49.440%0.40223%0.234SC..EExtended strand (participates in β ladder)trans-73.1137.3173.1-72172.7175.800109.8T436 Y437 R438 Y445T436-E443 HydrophobicContact CG2-CB 4.27Å; T436-E443 HydrophobicContact CG2-CG 4.3Å; Y437-E443 CarbonylContact O-C 3.45Å; Y437-E443 WeakPolarHBondContact O-CA 3.34Å; R438-E443 HydrophobicContact CG-CG 4.01Å; R438-E443 IonicContact CZ-OE1 2.85Å; R438-E443 IonicContact NE-OE1 3.89Å; R438-E443 PolarHBondContact NE-OE1 3.45Å; R438-E443 IonicContact NH2-OE1 3.84Å; R438-E443 PolarHBondContact NH2-OE1 2.91Å; E443-Y445 HydrophobicContact CB-CE2 4.32Å; E443-Y445 PolarHBondContact OE2-OH 3.36Å
444Q82.1Confident84Confident79 Ų7953.8 Ų53.837%0.36926%0.255SS..EExtended strand (participates in β ladder)trans-129.1150.7177.2-63.2-61.4-64.500107.5T436 Y437 V439T436-Q444 WeakPolarHBondContact CA-O 3.16Å; Y437-Q444 HydrophobicContact CD1-CB 3.9Å; Y437-Q444 VanDerWaalsContact CD1-O 3.31Å; Y437-Q444 WeakPolarHBondContact CD1-O 3.4Å; Y437-Q444 HydrophobicContact CD2-CB 4.3Å; Y437-Q444 HydrophobicContact CE1-CB 3.4Å; Y437-Q444 HydrophobicContact CE2-CB 3.88Å; Y437-Q444 HydrophobicContact CE2-CG 4.38Å; Y437-Q444 HydrophobicContact CG-CB 4.31Å; Y437-Q444 PolarHBondContact N-O 2.92Å; Y437-Q444 PolarHBondContact O-N 3.17Å; V439-Q444 HydrophobicContact CB-CG 4.25Å; V439-Q444 HydrophobicContact CG2-CG 4.13Å
445Y84.8Confident83.5Confident39 Ų3954.4 Ų54.415%0.15326%0.26CS..EExtended strand (participates in β ladder)trans-131139.2-169.7-53.4-85.3000110.7L434 Y435 T436 E443 Y474 A477 P478 V479L434-Y445 HydrophobicContact CD1-CD1 4.39Å; Y435-Y445 CarbonylContact O-C 3.45Å; Y435-Y445 WeakPolarHBondContact O-CA 3.42Å; T436-Y445 HydrophobicContact CG2-CD1 3.83Å; T436-Y445 HydrophobicContact CG2-CE1 3.52Å; T436-Y445 WeakPolarHBondContact OG1-CD1 3.38Å; E443-Y445 HydrophobicContact CB-CE2 4.32Å; E443-Y445 PolarHBondContact OE2-OH 3.36Å; Y445-Y474 AromaticContact CD1-CD1 3.99Å; Y445-Y474 HydrophobicContact CD1-CD1 3.99Å; Y445-Y474 HydrophobicContact CD1-CE1 4.23Å; Y445-Y474 AromaticContact CE1-CD1 3.58Å; Y445-Y474 HydrophobicContact CE1-CD1 3.58Å; Y445-Y474 AromaticContact CE1-CE1 3.73Å; Y445-Y474 HydrophobicContact CE1-CE1 3.73Å; Y445-Y474 HydrophobicContact CE2-CD1 4.32Å; Y445-Y474 HydrophobicContact CG-CD1 4.49Å; Y445-Y474 AromaticContact CZ-CD1 3.77Å; Y445-A477 HydrophobicContact CD2-CB 3.98Å; Y445-A477 HydrophobicContact CE2-CB 4.39Å; Y445-P478 HydrophobicContact CG-CG 4.45Å; Y445-V479 PolarHBondContact O-N 3.42Å
446I85.1Confident83.1Confident8 Ų857.5 Ų57.54%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-123.9129.8166.4-58.3177.8000107.6V397 L434 Y435 Y437 Y448 V479 V481V397-I446 HydrophobicContact CB-CD1 4.46Å; V397-I446 HydrophobicContact CG1-CD1 4.21Å; V397-I446 HydrophobicContact CG2-CD1 3.55Å; L434-I446 CarbonylContact C-O 3.58Å; L434-I446 WeakPolarHBondContact CA-O 3.47Å; Y435-I446 PolarHBondContact N-O 2.8Å; Y435-I446 PolarHBondContact O-N 2.93Å; Y437-I446 HydrophobicContact CE1-CD1 4.12Å; Y437-I446 HydrophobicContact CE1-CG1 3.93Å; I446-Y448 HydrophobicContact CB-CE2 4.17Å; I446-Y448 HydrophobicContact CG2-CD1 4.42Å; I446-Y448 HydrophobicContact CG2-CD2 3.89Å; I446-Y448 HydrophobicContact CG2-CE1 4.06Å; I446-Y448 HydrophobicContact CG2-CE2 3.47Å; I446-Y448 VanDerWaalsContact CG2-CE2 3.47Å; I446-Y448 HydrophobicContact CG2-CG 4.35Å; I446-V479 CarbonylContact C-O 3.48Å; I446-V479 WeakPolarHBondContact CA-O 3.34Å; I446-V479 HydrophobicContact CG1-CB 4.42Å; I446-V479 WeakPolarHBondContact CG2-O 3.44Å; I446-V481 HydrophobicContact CG2-CG2 3.97Å
447L87.3Confident82.4Confident0 Ų067.2 Ų67.20%031%0.313CS..EExtended strand (participates in β ladder)trans-110.4105175.1-178.361.4000109.3L432 L434 A467 V470 P478 V479 Q480 V481L432-L447 HydrophobicContact CB-CD1 4.27Å; L432-L447 HydrophobicContact CD2-CD1 4.32Å; L432-L447 HydrophobicContact CD2-CG 4.47Å; L434-L447 HydrophobicContact CB-CD1 4.22Å; L434-L447 HydrophobicContact CD1-CB 4.4Å; L434-L447 HydrophobicContact CD1-CD1 4.4Å; L447-A467 HydrophobicContact CD2-CB 4.05Å; L447-A467 WeakPolarHBondContact CD2-O 3.49Å; L447-V470 HydrophobicContact CD1-CG1 4.01Å; L447-V470 HydrophobicContact CD2-CB 4.03Å; L447-V470 HydrophobicContact CD2-CG1 4.01Å; L447-P478 HydrophobicContact CB-CB 3.98Å; L447-V479 PolarHBondContact N-O 3.43Å; L447-Q480 HydrophobicContact CB-CG 4.41Å; L447-Q480 HydrophobicContact CD2-CG 4.39Å; L447-Q480 CarbonylContact O-C 3.54Å; L447-Q480 WeakPolarHBondContact O-CA 3.43Å; L447-V481 PolarHBondContact O-N 2.99Å
448Y86.8Confident82.2Confident9 Ų970.1 Ų70.14%0.03533%0.33CS..EExtended strand (participates in β ladder)trans-85.5132.2173.6-64.5-80.3000111L432 V433 I446 V481 V483 P489 H491 F492 I495L432-Y448 CarbonylContact C-O 3.59Å; L432-Y448 WeakPolarHBondContact CA-O 3.36Å; V433-Y448 PolarHBondContact N-O 2.96Å; V433-Y448 PolarHBondContact O-N 2.96Å; I446-Y448 HydrophobicContact CB-CE2 4.17Å; I446-Y448 HydrophobicContact CG2-CD1 4.42Å; I446-Y448 HydrophobicContact CG2-CD2 3.89Å; I446-Y448 HydrophobicContact CG2-CE1 4.06Å; I446-Y448 HydrophobicContact CG2-CE2 3.47Å; I446-Y448 VanDerWaalsContact CG2-CE2 3.47Å; I446-Y448 HydrophobicContact CG2-CG 4.35Å; Y448-V481 CarbonylContact C-O 3.49Å; Y448-V481 VanDerWaalsContact CA-O 3.31Å; Y448-V481 WeakPolarHBondContact CA-O 3.36Å; Y448-V481 HydrophobicContact CD1-CB 3.62Å; Y448-V481 HydrophobicContact CD1-CG1 3.8Å; Y448-V481 HydrophobicContact CD1-CG2 4.37Å; Y448-V481 HydrophobicContact CE1-CB 3.8Å; Y448-V481 HydrophobicContact CE1-CG1 3.79Å; Y448-V481 HydrophobicContact CE1-CG2 4.14Å; Y448-V483 HydrophobicContact CD1-CG2 3.54Å; Y448-V483 HydrophobicContact CE1-CG2 4.33Å; Y448-V483 HydrophobicContact CG-CG2 4.36Å; Y448-P489 HydrophobicContact CE1-CG 3.94Å; Y448-H491 AromaticContact CZ-ND1 3.84Å; Y448-H491 PolarHBondContact OH-ND1 3.37Å; Y448-F492 AromaticContact CD1-CD2 3.83Å; Y448-F492 HydrophobicContact CD1-CD2 3.83Å; Y448-F492 AromaticContact CD2-CD2 3.76Å; Y448-F492 HydrophobicContact CD2-CD2 3.76Å; Y448-F492 HydrophobicContact CD2-CE2 4.3Å; Y448-F492 HydrophobicContact CE1-CB 4.3Å; Y448-F492 HydrophobicContact CE1-CD2 4.23Å; Y448-F492 HydrophobicContact CE2-CD2 4.17Å; Y448-F492 AromaticContact CG-CD2 3.57Å; Y448-F492 HydrophobicContact CG-CD2 3.57Å; Y448-F492 HydrophobicContact CG-CE2 4Å; Y448-I495 HydrophobicContact CD2-CD1 4.4Å; Y448-I495 HydrophobicContact CE2-CD1 3.63Å
449M87.4Confident82.4Confident24 Ų2463.3 Ų63.312%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-105.489.9171.7-57.7167.5-7700108.1Y431 L432 A467 Q480 V481 R482 V483Y431-M449 CarbonylContact O-C 3.54Å; L432-M449 HydrophobicContact CD2-CB 4.13Å; L432-M449 HydrophobicContact CD2-CG 3.55Å; M449-A467 HydrophobicContact CG-CB 3.84Å; M449-A467 HydrophobicContact SD-CB 3.63Å; M449-Q480 HydrophobicContact CE-CB 4.15Å; M449-V481 PolarHBondContact N-O 3.42Å; M449-R482 HydrophobicContact CE-CB 4.01Å; M449-V483 PolarHBondContact O-N 2.91Å; M449-V483 VanDerWaalsContact O-O 3.05Å
450W91.8Very high82.7Confident0 Ų063.6 Ų63.60%031%0.305CS..EExtended strand (participates in β ladder)trans-84.8126.7-179.8-169.599.5000110.5F425 Y426 C430 Y431 G452 V483 M485 E488 F492 I502F425-W450 HydrophobicContact CB-CD2 4.41Å; F425-W450 HydrophobicContact CB-CE3 4.37Å; F425-W450 HydrophobicContact CB-CH2 3.87Å; F425-W450 HydrophobicContact CB-CZ2 3.94Å; F425-W450 HydrophobicContact CB-CZ3 4.1Å; F425-W450 HydrophobicContact CD1-CB 4.39Å; F425-W450 AromaticContact CD1-CD2 3.86Å; F425-W450 HydrophobicContact CD1-CD2 3.86Å; F425-W450 AromaticContact CD1-CE3 3.99Å; F425-W450 HydrophobicContact CD1-CE3 3.99Å; F425-W450 HydrophobicContact CD1-CG 4.06Å; F425-W450 HydrophobicContact CE1-CB 4.3Å; F425-W450 HydrophobicContact CE1-CG 4.35Å; F425-W450 HydrophobicContact CG-CD2 4.38Å; Y426-W450 WeakPolarHBondContact O-CZ3 3.37Å; C430-W450 WeakPolarHBondContact CA-O 3.42Å; Y431-W450 AromaticContact CD2-CE3 3.67Å; Y431-W450 HydrophobicContact CD2-CE3 3.67Å; Y431-W450 HydrophobicContact CD2-CZ3 4.01Å; Y431-W450 HydrophobicContact CE2-CE3 4.22Å; Y431-W450 HydrophobicContact CE2-CZ3 4.09Å; Y431-W450 PolarHBondContact N-O 3.35Å; Y431-W450 PolarHBondContact O-N 3.37Å; W450-G452 VanDerWaalsContact CZ3-N 3.29Å; W450-V483 CarbonylContact C-O 3.03Å; W450-V483 VanDerWaalsContact CA-O 3.28Å; W450-V483 WeakPolarHBondContact CA-O 3.13Å; W450-V483 HydrophobicContact CB-CB 4.43Å; W450-V483 HydrophobicContact CG-CG1 4.47Å; W450-M485 HydrophobicContact CH2-CB 3.82Å; W450-M485 HydrophobicContact CH2-CG 3.97Å; W450-M485 HydrophobicContact CH2-SD 4.12Å; W450-M485 HydrophobicContact CZ2-CB 3.5Å; W450-M485 VanDerWaalsContact CZ2-CB 3.5Å; W450-M485 HydrophobicContact CZ2-CG 3.68Å; W450-M485 HydrophobicContact CZ2-SD 4.42Å; W450-E488 PolarHBondContact NE1-OE1 3.43Å; W450-F492 HydrophobicContact CB-CZ 4.32Å; W450-F492 AromaticContact CD1-CE1 3.88Å; W450-F492 AromaticContact CD1-CZ 3.72Å; W450-F492 HydrophobicContact CG-CZ 4.24Å; W450-I502 HydrophobicContact CH2-CG2 4.26Å; W450-I502 HydrophobicContact CZ2-CG2 3.94Å
451Q84.9Confident82.7Confident14 Ų1462.8 Ų62.87%0.06530%0.295CS..EExtended strand (participates in β ladder)trans-117.3115.7-174.6-63.4178.7-1600110.2R482 V483 M485Q451-R482 VanDerWaalsContact OE1-CZ 3.29Å; Q451-V483 PolarHBondContact N-O 3.41Å; Q451-M485 WeakPolarHBondContact O-CB 3.24Å; Q451-M485 PolarHBondContact O-N 3.37Å
452G84.1Confident82.7Confident5 Ų556.2 Ų56.25%0.05226%0.261CS..  trans-66145.9174.200000112.3G427 D429 W450 H454 A455G427-G452 CarbonylContact O-C 3.18Å; G427-G452 WeakPolarHBondContact O-CA 3.3Å; D429-G452 WeakPolarHBondContact O-CA 3.4Å; D429-G452 PolarHBondContact O-N 3.37Å; D429-G452 VanDerWaalsContact O-N 3.08Å; W450-G452 VanDerWaalsContact CZ3-N 3.29Å; G452-H454 PolarHBondContact O-N 2.78Å; G452-A455 WeakPolarHBondContact O-CB 3.39Å; G452-A455 PolarHBondContact O-N 2.95Å
453R81.8Confident82.9Confident75 Ų7547.3 Ų47.328%0.28323%0.227SC..THydrogen-bonded Turntrans-61.7-31.9-179-176.9-174.3-67.3167.5-5113.2G427 M485 E504G427-R453 PolarHBondContact O-N 2.92Å; G427-R453 VanDerWaalsContact O-N 3.14Å; R453-M485 HydrophobicContact CB-CB 4.45Å; R453-M485 HydrophobicContact CB-CG 4.5Å; R453-M485 HydrophobicContact CB-SD 3.64Å; R453-E504 IonicContact CZ-OE1 2.65Å; R453-E504 IonicContact NH1-OE1 3.03Å; R453-E504 PolarHBondContact NH1-OE1 2.95Å; R453-E504 IonicContact NH1-OE2 2.62Å; R453-E504 PolarHBondContact NH1-OE2 3.11Å
454H83.9Confident82.1Confident93 Ų9345.4 Ų45.443%0.43123%0.227SC..THydrogen-bonded Turntrans-1069.6-178.5-50.2-79.9000112.7G427 G452 E504G427-H454 CarbonylContact O-C 3.52Å; G427-H454 WeakPolarHBondContact O-CA 3.17Å; G427-H454 PolarHBondContact O-N 3.39Å; G452-H454 PolarHBondContact O-N 2.78Å; H454-E504 PolarHBondContact CD2-O 2.91Å; H454-E504 IonicContact CD2-OE1 2.95Å; H454-E504 IonicContact CE1-OE1 3.09Å; H454-E504 PolarHBondContact NE2-O 3.31Å; H454-E504 IonicContact NE2-OE1 2.62Å; H454-E504 PolarHBondContact NE2-OE1 2.88Å
455A84.9Confident81.8Confident13 Ų1349.6 Ų49.611%0.10724%0.24CC..  trans-65143.9175.900000111G427 C430 G452 I460G427-A455 PolarHBondContact O-N 3.44Å; C430-A455 VanDerWaalsContact SG-CB 3.57Å; G452-A455 WeakPolarHBondContact O-CB 3.39Å; G452-A455 PolarHBondContact O-N 2.95Å; A455-I460 HydrophobicContact CB-CD1 4.45Å; A455-I460 HydrophobicContact CB-CG1 4.15Å
456T84.9Confident81.7Confident65 Ų6548.2 Ų48.240%0.39924%0.235SC..  trans-74.6155.1-17864.50000111.4D458 E459 I460T456-D458 VanDerWaalsContact C-N 3.28Å; T456-D458 WeakPolarHBondContact CB-OD1 3.33Å; T456-D458 PolarHBondContact O-N 2.87Å; T456-D458 PolarHBondContact OG1-OD1 2.95Å; T456-E459 PolarHBondContact O-N 3.02Å; T456-E459 VanDerWaalsContact O-N 3.15Å; T456-E459 WeakPolarHBondContact OG1-CG 3.47Å; T456-I460 WeakPolarHBondContact O-CG1 3.47Å; T456-I460 PolarHBondContact O-N 3.33Å
457R79Confident81.4Confident223 Ų22347.9 Ų47.984%0.84223%0.233SC*.Hα-helixtrans-62.2-36-175.8-72.1-176.1176.4-178.4-0.9113T461R457-T461 WeakPolarHBondContact O-CB 3.22Å; R457-T461 PolarHBondContact O-N 2.95Å; R457-T461 PolarHBondContact O-OG1 3.18Å
458D81.2Confident80.9Confident87 Ų8751.2 Ų51.247%0.46525%0.253SS..Hα-helixtrans-65.5-41.5175.256.3-48.8000111.3L412 T456 T461 A462L412-D458 HydrophobicContact CD2-CB 3.99Å; T456-D458 VanDerWaalsContact C-N 3.28Å; T456-D458 WeakPolarHBondContact CB-OD1 3.33Å; T456-D458 PolarHBondContact O-N 2.87Å; T456-D458 PolarHBondContact OG1-OD1 2.95Å; D458-T461 PolarHBondContact O-N 3.43Å; D458-A462 WeakPolarHBondContact O-CB 3.37Å; D458-A462 PolarHBondContact O-N 3.35Å
459E83.3Confident80.8Confident12 Ų1252.9 Ų52.96%0.05627%0.265CS..Hα-helixtrans-67.9-39175.7-72.7-179.4176.200112.8I409 T456 T461 A462 C463 R509I409-E459 HydrophobicContact CG2-CB 4.46Å; I409-E459 HydrophobicContact CG2-CG 4.42Å; T456-E459 PolarHBondContact O-N 3.02Å; T456-E459 VanDerWaalsContact O-N 3.15Å; T456-E459 WeakPolarHBondContact OG1-CG 3.47Å; E459-T461 VanDerWaalsContact C-N 3.3Å; E459-T461 PolarHBondContact O-N 2.91Å; E459-A462 PolarHBondContact O-N 3.11Å; E459-C463 VanDerWaalsContact O-CB 3.31Å; E459-C463 WeakPolarHBondContact O-CB 3.26Å; E459-C463 PolarHBondContact O-N 3.26Å; E459-R509 IonicContact OE1-CZ 3.93Å; E459-R509 IonicContact OE1-NH1 3.76Å; E459-R509 PolarHBondContact OE1-NH1 2.85Å; E459-R509 IonicContact OE1-NH2 3.84Å; E459-R509 PolarHBondContact OE1-NH2 2.81Å; E459-R509 IonicContact OE2-NH2 2.91Å; E459-R509 PolarHBondContact OE2-NH2 3.31Å; E459-R509 VanDerWaalsContact OE2-NH2 3.09Å
460I75.6Confident80.7Confident54 Ų5451.9 Ų51.928%0.27726%0.26SS..Hα-helixtrans-60.8-42172.7-68168.1000110.7A455 T456 C463 A464A455-I460 HydrophobicContact CB-CD1 4.45Å; A455-I460 HydrophobicContact CB-CG1 4.15Å; T456-I460 WeakPolarHBondContact O-CG1 3.47Å; T456-I460 PolarHBondContact O-N 3.33Å; I460-C463 WeakPolarHBondContact O-CB 3.38Å; I460-C463 PolarHBondContact O-N 3.25Å; I460-A464 PolarHBondContact O-N 3.29Å
461T71.4Confident79.9Confident97 Ų9752.8 Ų52.860%0.59527%0.265SS*.Hα-helixtrans-67.9-45.1178.5-55.50000111R457 D458 E459 C463 A464 Y465R457-T461 WeakPolarHBondContact O-CB 3.22Å; R457-T461 PolarHBondContact O-N 2.95Å; R457-T461 PolarHBondContact O-OG1 3.18Å; D458-T461 PolarHBondContact O-N 3.43Å; E459-T461 VanDerWaalsContact C-N 3.3Å; E459-T461 PolarHBondContact O-N 2.91Å; T461-C463 VanDerWaalsContact C-N 3.32Å; T461-C463 PolarHBondContact O-N 2.8Å; T461-A464 PolarHBondContact O-N 3.1Å; T461-Y465 PolarHBondContact O-N 3.04Å
462A75.5Confident79.8Confident10 Ų1057 Ų578%0.08329%0.288CS..Hα-helixtrans-62.6-38.6175.900000111.7I409 L412 D458 E459 A464 Y465 Q466I409-A462 HydrophobicContact CG2-CB 3.89Å; L412-A462 HydrophobicContact CB-CB 3.85Å; L412-A462 HydrophobicContact CD2-CB 3.75Å; L412-A462 HydrophobicContact CG-CB 4.39Å; D458-A462 WeakPolarHBondContact O-CB 3.37Å; D458-A462 PolarHBondContact O-N 3.35Å; E459-A462 PolarHBondContact O-N 3.11Å; A462-A464 VanDerWaalsContact C-N 3.32Å; A462-A464 PolarHBondContact O-N 2.85Å; A462-Y465 PolarHBondContact O-N 3.04Å; A462-Q466 WeakPolarHBondContact O-CB 3.42Å; A462-Q466 VanDerWaalsContact O-CG 3.24Å; A462-Q466 WeakPolarHBondContact O-CG 3.03Å; A462-Q466 PolarHBondContact O-N 3.14Å
463C79.7Confident80.1Confident0 Ų062.9 Ų62.90%032%0.315CS..Hα-helixtrans-57.1-44.6174.6-1730000112.1I409 C430 E459 I460 T461 A467I409-C463 HydrophobicContact CD1-CB 4.41Å; I409-C463 HydrophobicContact CG1-CB 3.85Å; C430-C463 HydrophobicContact CB-CB 3.77Å; E459-C463 VanDerWaalsContact O-CB 3.31Å; E459-C463 WeakPolarHBondContact O-CB 3.26Å; E459-C463 PolarHBondContact O-N 3.26Å; I460-C463 WeakPolarHBondContact O-CB 3.38Å; I460-C463 PolarHBondContact O-N 3.25Å; T461-C463 VanDerWaalsContact C-N 3.32Å; T461-C463 PolarHBondContact O-N 2.8Å; C463-A467 WeakPolarHBondContact O-CB 3.05Å; C463-A467 PolarHBondContact O-N 3.22Å
464A69.6Low80.3Confident47 Ų4762 Ų6239%0.38831%0.312SS..Hα-helixtrans-67.7-39.3177.600000112.1I460 T461 A462 A467I460-A464 PolarHBondContact O-N 3.29Å; T461-A464 PolarHBondContact O-N 3.1Å; A462-A464 VanDerWaalsContact C-N 3.32Å; A462-A464 PolarHBondContact O-N 2.85Å; A464-A467 WeakPolarHBondContact O-CB 3.22Å; A464-A467 PolarHBondContact O-N 2.75Å
465Y74.1Confident80.3Confident166 Ų16665 Ų6565%0.65133%0.332SS*.Hα-helixtrans-64.9-48.7176.1-179.2-97.7000111.9T461 A462 A467 V468 T469T461-Y465 PolarHBondContact O-N 3.04Å; A462-Y465 PolarHBondContact O-N 3.04Å; Y465-A467 VanDerWaalsContact C-N 3.25Å; Y465-A467 PolarHBondContact O-N 2.88Å; Y465-V468 WeakPolarHBondContact O-CB 3.37Å; Y465-V468 PolarHBondContact O-N 3.46Å; Y465-V468 VanDerWaalsContact O-N 3.11Å; Y465-T469 PolarHBondContact O-N 3.22Å
466Q83.9Confident79.6Confident11 Ų1166.4 Ų66.45%0.05135%0.347CS..Hα-helixtrans-65.9-28.6179.2-66.2-66.8-3.900112.2I409 L412 E413 L414 L432 A462 V468 T469 V470I409-Q466 HydrophobicContact CD1-CB 4.12Å; I409-Q466 HydrophobicContact CD1-CG 4.14Å; L412-Q466 PolarHBondContact O-NE2 2.85Å; L412-Q466 VanDerWaalsContact O-NE2 3.09Å; E413-Q466 PolarHBondContact OE2-NE2 2.84Å; L414-Q466 HydrophobicContact CD2-CB 3.86Å; L414-Q466 HydrophobicContact CD2-CG 4.34Å; L414-Q466 HydrophobicContact CG-CB 4.1Å; L414-Q466 HydrophobicContact CG-CG 4.21Å; L432-Q466 HydrophobicContact CD1-CB 3.8Å; A462-Q466 WeakPolarHBondContact O-CB 3.42Å; A462-Q466 VanDerWaalsContact O-CG 3.24Å; A462-Q466 WeakPolarHBondContact O-CG 3.03Å; A462-Q466 PolarHBondContact O-N 3.14Å; Q466-V468 VanDerWaalsContact C-N 3.29Å; Q466-V468 PolarHBondContact O-N 2.9Å; Q466-T469 WeakPolarHBondContact O-CB 3.24Å; Q466-T469 PolarHBondContact O-N 2.82Å; Q466-T469 VanDerWaalsContact O-N 3.14Å; Q466-V470 WeakPolarHBondContact O-CG2 3.27Å; Q466-V470 PolarHBondContact O-N 3.14Å
467A78.1Confident79.1Confident0 Ų065.9 Ų65.90%035%0.35CS..Hα-helixtrans-59-41172.200000111.8L432 L447 M449 C463 A464 Y465 T469 V470 D471L432-A467 HydrophobicContact CD2-CB 3.78Å; L447-A467 HydrophobicContact CD2-CB 4.05Å; L447-A467 WeakPolarHBondContact CD2-O 3.49Å; M449-A467 HydrophobicContact CG-CB 3.84Å; M449-A467 HydrophobicContact SD-CB 3.63Å; C463-A467 WeakPolarHBondContact O-CB 3.05Å; C463-A467 PolarHBondContact O-N 3.22Å; A464-A467 WeakPolarHBondContact O-CB 3.22Å; A464-A467 PolarHBondContact O-N 2.75Å; Y465-A467 VanDerWaalsContact C-N 3.25Å; Y465-A467 PolarHBondContact O-N 2.88Å; A467-T469 VanDerWaalsContact C-N 3.34Å; A467-V470 PolarHBondContact O-N 2.76Å; A467-D471 VanDerWaalsContact O-CB 3.26Å; A467-D471 WeakPolarHBondContact O-CB 3.44Å; A467-D471 PolarHBondContact O-N 3.11Å
468V77.4Confident79.3Confident70 Ų7055.8 Ų55.842%0.42431%0.313SS..Hα-helixtrans-65.2-39.5175.1177.90000111Y465 Q466 D471 N472Y465-V468 WeakPolarHBondContact O-CB 3.37Å; Y465-V468 PolarHBondContact O-N 3.46Å; Y465-V468 VanDerWaalsContact O-N 3.11Å; Q466-V468 VanDerWaalsContact C-N 3.29Å; Q466-V468 PolarHBondContact O-N 2.9Å; V468-D471 PolarHBondContact O-N 3.34Å; V468-N472 WeakPolarHBondContact O-CB 3.4Å; V468-N472 VanDerWaalsContact O-CG 3.23Å; V468-N472 PolarHBondContact O-N 2.87Å; V468-N472 PolarHBondContact O-ND2 2.92Å; V468-N472 VanDerWaalsContact O-ND2 3.11Å
469T83.8Confident79.1Confident45 Ų4555.8 Ų55.828%0.27632%0.316SS..Hα-helixtrans-60.2-49.3175.5-52.30000111Y465 Q466 A467 N472 M473Y465-T469 PolarHBondContact O-N 3.22Å; Q466-T469 WeakPolarHBondContact O-CB 3.24Å; Q466-T469 PolarHBondContact O-N 2.82Å; Q466-T469 VanDerWaalsContact O-N 3.14Å; A467-T469 VanDerWaalsContact C-N 3.34Å; T469-N472 PolarHBondContact O-N 3.2Å; T469-M473 HydrophobicContact CG2-CE 4.05Å; T469-M473 WeakPolarHBondContact O-CG 3.39Å; T469-M473 PolarHBondContact O-N 3.01Å; T469-M473 VanDerWaalsContact O-N 3.16Å
470V85.9Confident78.3Confident2 Ų259 Ų591%0.01233%0.331CS..Hα-helixtrans-62.4-45.6176.9175.70000110.6L414 L432 L447 Q466 A467 N472 M473 Y474L414-V470 HydrophobicContact CD1-CG2 3.78Å; L414-V470 HydrophobicContact CD2-CG2 4.48Å; L432-V470 HydrophobicContact CD1-CG2 4.4Å; L447-V470 HydrophobicContact CD1-CG1 4.01Å; L447-V470 HydrophobicContact CD2-CB 4.03Å; L447-V470 HydrophobicContact CD2-CG1 4.01Å; Q466-V470 WeakPolarHBondContact O-CG2 3.27Å; Q466-V470 PolarHBondContact O-N 3.14Å; A467-V470 PolarHBondContact O-N 2.76Å; V470-N472 VanDerWaalsContact C-N 3.31Å; V470-N472 PolarHBondContact O-N 2.75Å; V470-M473 WeakPolarHBondContact O-CB 3.21Å; V470-M473 PolarHBondContact O-N 3.47Å; V470-Y474 HydrophobicContact CG1-CD2 4.36Å; V470-Y474 HydrophobicContact CG1-CE2 4.26Å; V470-Y474 VanDerWaalsContact O-CD2 3.32Å; V470-Y474 WeakPolarHBondContact O-CD2 3.44Å; V470-Y474 PolarHBondContact O-N 3.03Å
471D74.1Confident78Confident20 Ų2058.6 Ų58.611%0.10733%0.331CS..Hα-helixtrans-54.8-45.1177.3-170.371.2000112.5A467 V468 M473 Y474 N475 G476 P478 Q480A467-D471 VanDerWaalsContact O-CB 3.26Å; A467-D471 WeakPolarHBondContact O-CB 3.44Å; A467-D471 PolarHBondContact O-N 3.11Å; V468-D471 PolarHBondContact O-N 3.34Å; D471-M473 VanDerWaalsContact C-N 3.35Å; D471-M473 PolarHBondContact O-N 3.39Å; D471-Y474 CarbonylContact O-C 3.57Å; D471-Y474 PolarHBondContact O-N 2.81Å; D471-Y474 VanDerWaalsContact O-N 3.11Å; D471-N475 PolarHBondContact O-N 2.99Å; D471-G476 PolarHBondContact O-N 3.01Å; D471-G476 WeakPolarHBondContact OD2-CA 3.26Å; D471-P478 WeakPolarHBondContact OD1-CD 3.26Å; D471-Q480 PolarHBondContact OD1-NE2 3.26Å; D471-Q480 VanDerWaalsContact OD1-NE2 3.1Å; D471-Q480 PolarHBondContact OD2-NE2 3.46Å
472N83.1Confident78.1Confident102 Ų10261.9 Ų61.955%0.54533%0.332SS..Hα-helixtrans-64.3-34.2176.4-72.7-33.6000113.1V468 T469 V470 Y474 N475V468-N472 WeakPolarHBondContact O-CB 3.4Å; V468-N472 VanDerWaalsContact O-CG 3.23Å; V468-N472 PolarHBondContact O-N 2.87Å; V468-N472 PolarHBondContact O-ND2 2.92Å; V468-N472 VanDerWaalsContact O-ND2 3.11Å; T469-N472 PolarHBondContact O-N 3.2Å; V470-N472 VanDerWaalsContact C-N 3.31Å; V470-N472 PolarHBondContact O-N 2.75Å; N472-Y474 PolarHBondContact O-N 2.79Å; N472-N475 PolarHBondContact O-N 2.81Å
473M90.1Very high78.3Confident128 Ų12861.5 Ų61.563%0.63133%0.329SS*.Hα-helixtrans-61.1-25.9174.8-66.1-177-174.500112.4T469 V470 D471T469-M473 HydrophobicContact CG2-CE 4.05Å; T469-M473 WeakPolarHBondContact O-CG 3.39Å; T469-M473 PolarHBondContact O-N 3.01Å; T469-M473 VanDerWaalsContact O-N 3.16Å; V470-M473 WeakPolarHBondContact O-CB 3.21Å; V470-M473 PolarHBondContact O-N 3.47Å; D471-M473 VanDerWaalsContact C-N 3.35Å; D471-M473 PolarHBondContact O-N 3.39Å
474Y85.9Confident78.1Confident56 Ų5663.9 Ų63.922%0.2234%0.344CS..THydrogen-bonded Turntrans-106.426.1176.8-64.7-92.4000112L434 Y445 V470 D471 N472 G476 A477 P478L434-Y474 HydrophobicContact CD2-CD2 4.2Å; L434-Y474 HydrophobicContact CD2-CE1 4.02Å; L434-Y474 HydrophobicContact CD2-CE2 3.42Å; L434-Y474 VanDerWaalsContact CD2-CE2 3.42Å; L434-Y474 VanDerWaalsContact CD2-OH 3.27Å; L434-Y474 WeakPolarHBondContact CD2-OH 3.17Å; Y445-Y474 AromaticContact CD1-CD1 3.99Å; Y445-Y474 HydrophobicContact CD1-CD1 3.99Å; Y445-Y474 HydrophobicContact CD1-CE1 4.23Å; Y445-Y474 AromaticContact CE1-CD1 3.58Å; Y445-Y474 HydrophobicContact CE1-CD1 3.58Å; Y445-Y474 AromaticContact CE1-CE1 3.73Å; Y445-Y474 HydrophobicContact CE1-CE1 3.73Å; Y445-Y474 HydrophobicContact CE2-CD1 4.32Å; Y445-Y474 HydrophobicContact CG-CD1 4.49Å; Y445-Y474 AromaticContact CZ-CD1 3.77Å; V470-Y474 HydrophobicContact CG1-CD2 4.36Å; V470-Y474 HydrophobicContact CG1-CE2 4.26Å; V470-Y474 VanDerWaalsContact O-CD2 3.32Å; V470-Y474 WeakPolarHBondContact O-CD2 3.44Å; V470-Y474 PolarHBondContact O-N 3.03Å; D471-Y474 CarbonylContact O-C 3.57Å; D471-Y474 PolarHBondContact O-N 2.81Å; D471-Y474 VanDerWaalsContact O-N 3.11Å; N472-Y474 PolarHBondContact O-N 2.79Å; Y474-G476 VanDerWaalsContact C-N 3.25Å; Y474-G476 PolarHBondContact O-N 2.88Å; Y474-A477 WeakPolarHBondContact O-CB 3.45Å; Y474-A477 PolarHBondContact O-N 2.72Å; Y474-A477 VanDerWaalsContact O-N 3.09Å; Y474-P478 HydrophobicContact CG-CG 4.31Å
475N84.2Confident78.6Confident157 Ų15762 Ų6284%0.8433%0.327SS*.THydrogen-bonded Turntrans56.432.4177.3-57.1-46.6000114.4D471 N472 A477D471-N475 PolarHBondContact O-N 2.99Å; N472-N475 PolarHBondContact O-N 2.81Å; N475-A477 PolarHBondContact O-N 3.43Å
476G70.7Confident78.6Confident42 Ų4255.2 Ų55.243%0.43331%0.307SS..THydrogen-bonded Turntrans69.216.6-178.400000114.4D471 Y474D471-G476 PolarHBondContact O-N 3.01Å; D471-G476 WeakPolarHBondContact OD2-CA 3.26Å; Y474-G476 VanDerWaalsContact C-N 3.25Å; Y474-G476 PolarHBondContact O-N 2.88Å
477A75.3Confident78.2Confident55 Ų5557.9 Ų57.946%0.45532%0.319SS..  trans-73-30.7176.500000115.2Y445 Y474 N475Y445-A477 HydrophobicContact CD2-CB 3.98Å; Y445-A477 HydrophobicContact CE2-CB 4.39Å; Y474-A477 WeakPolarHBondContact O-CB 3.45Å; Y474-A477 PolarHBondContact O-N 2.72Å; Y474-A477 VanDerWaalsContact O-N 3.09Å; N475-A477 PolarHBondContact O-N 3.43Å
478P81.4Confident78.3Confident10 Ų1058.7 Ų58.77%0.06532%0.323CS..SBendtrans-63.3135.6-178.8-24.935000115.4L434 Y445 L447 D471 Y474 Q480L434-P478 HydrophobicContact CD1-CB 4.48Å; L434-P478 HydrophobicContact CD1-CG 4.32Å; Y445-P478 HydrophobicContact CG-CG 4.45Å; L447-P478 HydrophobicContact CB-CB 3.98Å; D471-P478 WeakPolarHBondContact OD1-CD 3.26Å; Y474-P478 HydrophobicContact CG-CG 4.31Å; P478-Q480 PolarHBondContact O-N 3.39Å
479V77.4Confident78.2Confident87 Ų8757.6 Ų57.653%0.52732%0.317SS..EExtended strand (participates in β ladder)trans-77.6115.1165.51790000108.6Y445 I446 L447 V481Y445-V479 PolarHBondContact O-N 3.42Å; I446-V479 CarbonylContact C-O 3.48Å; I446-V479 WeakPolarHBondContact CA-O 3.34Å; I446-V479 HydrophobicContact CG1-CB 4.42Å; I446-V479 WeakPolarHBondContact CG2-O 3.44Å; L447-V479 PolarHBondContact N-O 3.43Å; V479-V481 HydrophobicContact CG1-CG2 4.26Å
480Q66.9Low77.7Confident80 Ų8062.1 Ų62.137%0.37433%0.329SS..EExtended strand (participates in β ladder)trans-87.3128.1-178.4-62.7178.93900111.5L447 M449 D471 P478L447-Q480 HydrophobicContact CB-CG 4.41Å; L447-Q480 HydrophobicContact CD2-CG 4.39Å; L447-Q480 CarbonylContact O-C 3.54Å; L447-Q480 WeakPolarHBondContact O-CA 3.43Å; M449-Q480 HydrophobicContact CE-CB 4.15Å; D471-Q480 PolarHBondContact OD1-NE2 3.26Å; D471-Q480 VanDerWaalsContact OD1-NE2 3.1Å; D471-Q480 PolarHBondContact OD2-NE2 3.46Å; P478-Q480 PolarHBondContact O-N 3.39Å
481V68.8Low77.6Confident45 Ų4562.3 Ų62.327%0.27333%0.33SS..EExtended strand (participates in β ladder)trans-129.7118.3-178-176.50000109.8I446 L447 Y448 M449 V479 V483I446-V481 HydrophobicContact CG2-CG2 3.97Å; L447-V481 PolarHBondContact O-N 2.99Å; Y448-V481 CarbonylContact C-O 3.49Å; Y448-V481 VanDerWaalsContact CA-O 3.31Å; Y448-V481 WeakPolarHBondContact CA-O 3.36Å; Y448-V481 HydrophobicContact CD1-CB 3.62Å; Y448-V481 HydrophobicContact CD1-CG1 3.8Å; Y448-V481 HydrophobicContact CD1-CG2 4.37Å; Y448-V481 HydrophobicContact CE1-CB 3.8Å; Y448-V481 HydrophobicContact CE1-CG1 3.79Å; Y448-V481 HydrophobicContact CE1-CG2 4.14Å; M449-V481 PolarHBondContact N-O 3.42Å; V479-V481 HydrophobicContact CG1-CG2 4.26Å; V481-V483 HydrophobicContact CG1-CG2 4.21Å
482R74.5Confident78.1Confident166 Ų16661.3 Ų61.363%0.62633%0.325SS*.EExtended strand (participates in β ladder)trans-79.1129172.6-176.2-179.6172.1-126-3.7109.9M449 Q451M449-R482 HydrophobicContact CE-CB 4.01Å; Q451-R482 VanDerWaalsContact OE1-CZ 3.29Å
483V78.8Confident78.2Confident2 Ų257.3 Ų57.31%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-124.5126178.1-172.60000108.6Y448 M449 W450 Q451 V481 E488 P489Y448-V483 HydrophobicContact CD1-CG2 3.54Å; Y448-V483 HydrophobicContact CE1-CG2 4.33Å; Y448-V483 HydrophobicContact CG-CG2 4.36Å; M449-V483 PolarHBondContact O-N 2.91Å; M449-V483 VanDerWaalsContact O-O 3.05Å; W450-V483 CarbonylContact C-O 3.03Å; W450-V483 VanDerWaalsContact CA-O 3.28Å; W450-V483 WeakPolarHBondContact CA-O 3.13Å; W450-V483 HydrophobicContact CB-CB 4.43Å; W450-V483 HydrophobicContact CG-CG1 4.47Å; Q451-V483 PolarHBondContact N-O 3.41Å; V481-V483 HydrophobicContact CG1-CG2 4.21Å; V483-E488 HydrophobicContact CG1-CB 4.35Å; V483-E488 HydrophobicContact CG1-CG 4.02Å; V483-P489 HydrophobicContact CG2-CG 4.31Å
484V76.1Confident78Confident51 Ų5151.2 Ų51.231%0.30927%0.273SS..EExtended strand (participates in β ladder)trans-101.1141.4174-179.70000107.9G486 K487V484-G486 PolarHBondContact O-N 2.73Å; V484-K487 WeakPolarHBondContact O-CA 3.34Å; V484-K487 WeakPolarHBondContact O-CB 3.38Å; V484-K487 PolarHBondContact O-N 3.09Å
485M80.9Confident78.3Confident6 Ų649.1 Ų49.13%0.0327%0.265CS..THydrogen-bonded Turntrans-47.1122.1175.2176.2178.6164.900111.6W450 Q451 R453 E488 I502 E504W450-M485 HydrophobicContact CH2-CB 3.82Å; W450-M485 HydrophobicContact CH2-CG 3.97Å; W450-M485 HydrophobicContact CH2-SD 4.12Å; W450-M485 HydrophobicContact CZ2-CB 3.5Å; W450-M485 VanDerWaalsContact CZ2-CB 3.5Å; W450-M485 HydrophobicContact CZ2-CG 3.68Å; W450-M485 HydrophobicContact CZ2-SD 4.42Å; Q451-M485 WeakPolarHBondContact O-CB 3.24Å; Q451-M485 PolarHBondContact O-N 3.37Å; R453-M485 HydrophobicContact CB-CB 4.45Å; R453-M485 HydrophobicContact CB-CG 4.5Å; R453-M485 HydrophobicContact CB-SD 3.64Å; M485-E488 WeakPolarHBondContact CA-OE1 3.27Å; M485-I502 HydrophobicContact CE-CG2 3.83Å; M485-I502 HydrophobicContact CG-CG2 3.94Å; M485-I502 HydrophobicContact SD-CG2 4.16Å; M485-E504 WeakPolarHBondContact CE-OE2 3.4Å
486G72.8Confident78.6Confident24 Ų2442.1 Ų42.125%0.24723%0.228CC..THydrogen-bonded Turntrans99.5-24.5-176.200000114.1V484 E488 K533V484-G486 PolarHBondContact O-N 2.73Å; G486-E488 VanDerWaalsContact C-OE2 3.24Å; G486-E488 WeakPolarHBondContact CA-OE2 3.46Å; G486-E488 PolarHBondContact N-OE1 3.37Å; G486-E488 PolarHBondContact N-OE2 2.76Å; G486-K533 PolarHBondContact O-NZ 2.92Å
487K75.3Confident79.4Confident68 Ų6842.9 Ų42.930%0.29622%0.219SC..  trans-10433.1-178.2-62.6-60.4-166.7-159.20113.1V484 P489 N642 D644 D647V484-K487 WeakPolarHBondContact O-CA 3.34Å; V484-K487 WeakPolarHBondContact O-CB 3.38Å; V484-K487 PolarHBondContact O-N 3.09Å; K487-P489 WeakPolarHBondContact O-CD 3.5Å; K487-N642 PolarHBondContact NZ-O 2.85Å; K487-N642 VanDerWaalsContact NZ-O 3.09Å; K487-D644 WeakPolarHBondContact CD-OD2 3.23Å; K487-D644 WeakPolarHBondContact CE-OD2 3.28Å; K487-D644 VanDerWaalsContact NZ-CG 3.31Å; K487-D644 IonicContact NZ-OD1 2.66Å; K487-D644 IonicContact NZ-OD2 3.66Å; K487-D644 PolarHBondContact NZ-OD2 2.8Å; K487-D647 VanDerWaalsContact CE-OD1 3.27Å; K487-D647 WeakPolarHBondContact CE-OD1 2.93Å; K487-D647 VanDerWaalsContact NZ-CG 3.26Å; K487-D647 IonicContact NZ-OD1 3.94Å; K487-D647 PolarHBondContact NZ-OD1 2.63Å; K487-D647 VanDerWaalsContact NZ-OD1 3.11Å; K487-D647 IonicContact NZ-OD2 3.44Å; K487-D647 PolarHBondContact NZ-OD2 3.11Å
488E80.2Confident79.9Confident16 Ų1640.5 Ų40.58%0.07520%0.199CC..  trans-64.7124.4-179.7-62.877.9-158.200111.4W450 V483 M485 G486 F492 L493 L500 I502 K533W450-E488 PolarHBondContact NE1-OE1 3.43Å; V483-E488 HydrophobicContact CG1-CB 4.35Å; V483-E488 HydrophobicContact CG1-CG 4.02Å; M485-E488 WeakPolarHBondContact CA-OE1 3.27Å; G486-E488 VanDerWaalsContact C-OE2 3.24Å; G486-E488 WeakPolarHBondContact CA-OE2 3.46Å; G486-E488 PolarHBondContact N-OE1 3.37Å; G486-E488 PolarHBondContact N-OE2 2.76Å; E488-F492 HydrophobicContact CB-CD1 3.82Å; E488-F492 HydrophobicContact CB-CE1 4.49Å; E488-F492 HydrophobicContact CG-CD1 3.73Å; E488-F492 HydrophobicContact CG-CE1 3.89Å; E488-L493 HydrophobicContact CB-CD2 3.72Å; E488-L493 HydrophobicContact CB-CG 4.35Å; E488-L500 HydrophobicContact CG-CD2 4.12Å; E488-I502 HydrophobicContact CG-CD1 4.43Å; E488-I502 VanDerWaalsContact OE1-CD1 3.28Å; E488-I502 WeakPolarHBondContact OE1-CD1 3.18Å; E488-K533 IonicContact OE2-NZ 3.73Å; E488-K533 PolarHBondContact OE2-NZ 3.28Å
489P75.7Confident80.2Confident47 Ų4744.6 Ų44.631%0.30522%0.216SC..  trans-69.6155.8178.328.2-33.1000110.8Y448 V483 K487 H491 F492 L493Y448-P489 HydrophobicContact CE1-CG 3.94Å; V483-P489 HydrophobicContact CG2-CG 4.31Å; K487-P489 WeakPolarHBondContact O-CD 3.5Å; P489-H491 VanDerWaalsContact C-N 3.26Å; P489-H491 PolarHBondContact O-N 2.85Å; P489-H491 VanDerWaalsContact O-N 3.14Å; P489-F492 HydrophobicContact CG-CB 3.76Å; P489-F492 WeakPolarHBondContact O-CA 3.4Å; P489-F492 VanDerWaalsContact O-CB 3.3Å; P489-F492 WeakPolarHBondContact O-CB 3.47Å; P489-F492 PolarHBondContact O-N 3.4Å; P489-L493 PolarHBondContact O-N 3.39Å
490R74.4Confident80.9Confident140 Ų14040.5 Ų40.553%0.52819%0.191SC..Hα-helixtrans-50.7-43.6-177.1-71.3-175173169.6-1.6113.6L396 F492 L493 A494L396-R490 HydrophobicContact CD2-CB 4.36Å; R490-F492 VanDerWaalsContact C-N 3.33Å; R490-F492 PolarHBondContact O-N 2.85Å; R490-L493 WeakPolarHBondContact O-CB 3.28Å; R490-L493 PolarHBondContact O-N 2.98Å; R490-A494 PolarHBondContact O-N 3.28Å
491H83.9Confident82.1Confident6 Ų637.2 Ų37.23%0.02818%0.176CC..Hα-helixtrans-63-38.3177.4-173.3-104.7000112.7L396 V397 D398 Y435 Y448 P489 L493 A494 I495L396-H491 HydrophobicContact CD2-CB 4.01Å; V397-H491 VanDerWaalsContact CG2-NE2 3.29Å; V397-H491 WeakPolarHBondContact CG2-NE2 3.43Å; D398-H491 IonicContact OD1-CD2 2.72Å; D398-H491 IonicContact OD1-CE1 3.96Å; D398-H491 IonicContact OD1-NE2 3.14Å; D398-H491 PolarHBondContact OD1-NE2 3.38Å; Y435-H491 AromaticContact CD1-CE1 3.55Å; Y435-H491 AromaticContact CE1-CE1 3.44Å; Y435-H491 VanDerWaalsContact CE1-CE1 3.44Å; Y435-H491 WeakPolarHBondContact CE1-CE1 3.5Å; Y435-H491 AromaticContact CE1-NE2 3.65Å; Y448-H491 AromaticContact CZ-ND1 3.84Å; Y448-H491 PolarHBondContact OH-ND1 3.37Å; P489-H491 VanDerWaalsContact C-N 3.26Å; P489-H491 PolarHBondContact O-N 2.85Å; P489-H491 VanDerWaalsContact O-N 3.14Å; H491-L493 VanDerWaalsContact C-N 3.33Å; H491-L493 PolarHBondContact O-N 3.38Å; H491-A494 PolarHBondContact O-N 3.37Å; H491-I495 VanDerWaalsContact O-CG1 3.29Å; H491-I495 WeakPolarHBondContact O-CG1 3.44Å; H491-I495 PolarHBondContact O-N 3.47Å
492F84.3Confident83.1Confident0 Ų035.1 Ų35.10%016%0.164CC..Hα-helixtrans-63-39.7175.9-172.3-91.5000111.8F425 V433 Y448 W450 E488 P489 R490 F496 L500F425-F492 AromaticContact CE1-CZ 3.98Å; F425-F492 HydrophobicContact CE1-CZ 3.98Å; F425-F492 HydrophobicContact CE2-CE1 4.3Å; F425-F492 HydrophobicContact CE2-CZ 4.06Å; F425-F492 HydrophobicContact CZ-CE1 4.31Å; F425-F492 HydrophobicContact CZ-CE2 4.5Å; F425-F492 AromaticContact CZ-CZ 3.62Å; F425-F492 HydrophobicContact CZ-CZ 3.62Å; V433-F492 HydrophobicContact CB-CE2 4.33Å; V433-F492 HydrophobicContact CG2-CE2 4.04Å; V433-F492 HydrophobicContact CG2-CZ 4.4Å; Y448-F492 AromaticContact CD1-CD2 3.83Å; Y448-F492 HydrophobicContact CD1-CD2 3.83Å; Y448-F492 AromaticContact CD2-CD2 3.76Å; Y448-F492 HydrophobicContact CD2-CD2 3.76Å; Y448-F492 HydrophobicContact CD2-CE2 4.3Å; Y448-F492 HydrophobicContact CE1-CB 4.3Å; Y448-F492 HydrophobicContact CE1-CD2 4.23Å; Y448-F492 HydrophobicContact CE2-CD2 4.17Å; Y448-F492 AromaticContact CG-CD2 3.57Å; Y448-F492 HydrophobicContact CG-CD2 3.57Å; Y448-F492 HydrophobicContact CG-CE2 4Å; W450-F492 HydrophobicContact CB-CZ 4.32Å; W450-F492 AromaticContact CD1-CE1 3.88Å; W450-F492 AromaticContact CD1-CZ 3.72Å; W450-F492 HydrophobicContact CG-CZ 4.24Å; E488-F492 HydrophobicContact CB-CD1 3.82Å; E488-F492 HydrophobicContact CB-CE1 4.49Å; E488-F492 HydrophobicContact CG-CD1 3.73Å; E488-F492 HydrophobicContact CG-CE1 3.89Å; P489-F492 HydrophobicContact CG-CB 3.76Å; P489-F492 WeakPolarHBondContact O-CA 3.4Å; P489-F492 VanDerWaalsContact O-CB 3.3Å; P489-F492 WeakPolarHBondContact O-CB 3.47Å; P489-F492 PolarHBondContact O-N 3.4Å; R490-F492 VanDerWaalsContact C-N 3.33Å; R490-F492 PolarHBondContact O-N 2.85Å; F492-F496 HydrophobicContact CD1-CD2 4.43Å; F492-F496 AromaticContact CD1-CE2 3.97Å; F492-F496 HydrophobicContact CD1-CE2 3.97Å; F492-F496 HydrophobicContact CD2-CE2 4.35Å; F492-F496 HydrophobicContact CE1-CD2 4.35Å; F492-F496 AromaticContact CE1-CE2 3.65Å; F492-F496 HydrophobicContact CE1-CE2 3.65Å; F492-F496 HydrophobicContact CE2-CE2 4.06Å; F492-F496 HydrophobicContact CG-CE2 4.32Å; F492-F496 AromaticContact CZ-CE2 3.71Å; F492-F496 HydrophobicContact CZ-CE2 3.71Å; F492-F496 HydrophobicContact CZ-CZ 4.26Å; F492-F496 WeakPolarHBondContact O-CD2 3.5Å; F492-F496 WeakPolarHBondContact O-CE2 3.35Å; F492-L500 HydrophobicContact CD1-CD2 4.2Å; F492-L500 HydrophobicContact CE1-CD1 4.01Å; F492-L500 HydrophobicContact CE1-CD2 4.18Å
493L84.7Confident83.9Confident18 Ų1828.6 Ų28.69%0.09414%0.14CC..Hα-helixtrans-61.9-46.6173.1-55.3178.4000111.2E488 P489 R490 H491 I495 F496 L500 L530 K533E488-L493 HydrophobicContact CB-CD2 3.72Å; E488-L493 HydrophobicContact CB-CG 4.35Å; P489-L493 PolarHBondContact O-N 3.39Å; R490-L493 WeakPolarHBondContact O-CB 3.28Å; R490-L493 PolarHBondContact O-N 2.98Å; H491-L493 VanDerWaalsContact C-N 3.33Å; H491-L493 PolarHBondContact O-N 3.38Å; L493-I495 VanDerWaalsContact C-N 3.34Å; L493-I495 PolarHBondContact O-N 3.28Å; L493-F496 PolarHBondContact O-N 3.35Å; L493-L500 HydrophobicContact CD2-CD2 3.35Å; L493-L530 WeakPolarHBondContact CB-O 3.45Å; L493-K533 HydrophobicContact CD2-CB 4.42Å; L493-K533 HydrophobicContact CD2-CD 4.13Å
494A85.6Confident84.3Confident0 Ų029.8 Ų29.80%015%0.145CC..Hα-helixtrans-63.6-34.8-176.100000113.7L396 R490 H491 F496 K497 L530L396-A494 HydrophobicContact CD2-CB 4.21Å; R490-A494 PolarHBondContact O-N 3.28Å; H491-A494 PolarHBondContact O-N 3.37Å; A494-F496 PolarHBondContact O-N 2.85Å; A494-K497 WeakPolarHBondContact O-CD 3.25Å; A494-K497 PolarHBondContact O-N 3.26Å; A494-L530 HydrophobicContact CB-CB 4.41Å; A494-L530 HydrophobicContact CB-CD2 4.02Å; A494-L530 PolarHBondContact N-O 3.13Å
495I91.8Very high84.5Confident11 Ų1128.5 Ų28.56%0.05614%0.142CC..Hα-helixtrans-57.1-33.3176.7-70.6165.7000111.6V404 Y435 Y448 H491 L493V404-I495 HydrophobicContact CB-CG2 4.45Å; V404-I495 HydrophobicContact CG1-CG2 4.27Å; V404-I495 HydrophobicContact CG2-CG2 3.28Å; Y435-I495 HydrophobicContact CD1-CD1 4.2Å; Y435-I495 HydrophobicContact CD2-CD1 3.76Å; Y435-I495 HydrophobicContact CD2-CG1 3.78Å; Y435-I495 HydrophobicContact CD2-CG2 4Å; Y435-I495 HydrophobicContact CE2-CD1 4.24Å; Y435-I495 HydrophobicContact CE2-CG1 3.78Å; Y435-I495 HydrophobicContact CE2-CG2 4.22Å; Y435-I495 HydrophobicContact CG-CD1 3.7Å; Y435-I495 HydrophobicContact CG-CG1 4.17Å; Y448-I495 HydrophobicContact CD2-CD1 4.4Å; Y448-I495 HydrophobicContact CE2-CD1 3.63Å; H491-I495 VanDerWaalsContact O-CG1 3.29Å; H491-I495 WeakPolarHBondContact O-CG1 3.44Å; H491-I495 PolarHBondContact O-N 3.47Å; L493-I495 VanDerWaalsContact C-N 3.34Å; L493-I495 PolarHBondContact O-N 3.28Å
496F90.9Very high84.6Confident11 Ų1130.4 Ų30.45%0.04816%0.164CC..THydrogen-bonded Turntrans-90.50.4-178.9-60-69.1000113.6V404 G423 F425 V433 F492 L493 A494 G498 K499 L500V404-F496 HydrophobicContact CG1-CE1 4.47Å; G423-F496 VanDerWaalsContact CA-CD1 3.42Å; F425-F496 HydrophobicContact CE2-CE1 4.2Å; F425-F496 AromaticContact CE2-CE2 3.88Å; F425-F496 HydrophobicContact CE2-CE2 3.88Å; F425-F496 AromaticContact CE2-CZ 3.67Å; F425-F496 HydrophobicContact CE2-CZ 3.67Å; F425-F496 HydrophobicContact CZ-CE1 4.38Å; F425-F496 HydrophobicContact CZ-CE2 4.09Å; F425-F496 AromaticContact CZ-CZ 3.64Å; F425-F496 HydrophobicContact CZ-CZ 3.64Å; V433-F496 HydrophobicContact CG1-CZ 4.3Å; F492-F496 HydrophobicContact CD1-CD2 4.43Å; F492-F496 AromaticContact CD1-CE2 3.97Å; F492-F496 HydrophobicContact CD1-CE2 3.97Å; F492-F496 HydrophobicContact CD2-CE2 4.35Å; F492-F496 HydrophobicContact CE1-CD2 4.35Å; F492-F496 AromaticContact CE1-CE2 3.65Å; F492-F496 HydrophobicContact CE1-CE2 3.65Å; F492-F496 HydrophobicContact CE2-CE2 4.06Å; F492-F496 HydrophobicContact CG-CE2 4.32Å; F492-F496 AromaticContact CZ-CE2 3.71Å; F492-F496 HydrophobicContact CZ-CE2 3.71Å; F492-F496 HydrophobicContact CZ-CZ 4.26Å; F492-F496 WeakPolarHBondContact O-CD2 3.5Å; F492-F496 WeakPolarHBondContact O-CE2 3.35Å; L493-F496 PolarHBondContact O-N 3.35Å; A494-F496 PolarHBondContact O-N 2.85Å; F496-G498 VanDerWaalsContact C-N 3.3Å; F496-G498 PolarHBondContact O-N 3.13Å; F496-K499 HydrophobicContact CB-CB 4.49Å; F496-K499 WeakPolarHBondContact O-CA 3.49Å; F496-K499 WeakPolarHBondContact O-CB 3.36Å; F496-K499 WeakPolarHBondContact O-CG 3.34Å; F496-K499 PolarHBondContact O-N 3.29Å; F496-L500 HydrophobicContact CB-CB 4.2Å; F496-L500 HydrophobicContact CD2-CB 4.33Å; F496-L500 HydrophobicContact CD2-CD1 3.83Å; F496-L500 HydrophobicContact CE2-CD1 4.12Å; F496-L500 HydrophobicContact CG-CD1 4.42Å
497K88Confident85.1Confident58 Ų5830.9 Ų30.925%0.25216%0.162SC..THydrogen-bonded Turntrans5048.5173.1-54-66.3179.7174.80113D399 G400 A494 K499 D529D399-K497 PolarHBondContact O-NZ 2.89Å; G400-K497 WeakPolarHBondContact O-CE 3.42Å; A494-K497 WeakPolarHBondContact O-CD 3.25Å; A494-K497 PolarHBondContact O-N 3.26Å; K497-K499 VanDerWaalsContact C-N 3.29Å; K497-K499 PolarHBondContact O-N 3.35Å; K497-D529 CarbonylContact C-O 3.51Å; K497-D529 WeakPolarHBondContact CA-O 3.09Å
498G85.7Confident85.2Confident4 Ų428.2 Ų28.24%0.04115%0.153CC..THydrogen-bonded Turntrans73.616.6-179.100000114.1F496 D529 M577F496-G498 VanDerWaalsContact C-N 3.3Å; F496-G498 PolarHBondContact O-N 3.13Å; G498-D529 PolarHBondContact N-O 3.18Å; G498-M577 WeakPolarHBondContact O-CE 3.49Å
499K87.1Confident85.4Confident97 Ų9730.5 Ų30.542%0.42216%0.161SC..  trans-107.114.1-178.9-51.6178.1-138.4-167.70113.4F496 K497 I501F496-K499 HydrophobicContact CB-CB 4.49Å; F496-K499 WeakPolarHBondContact O-CA 3.49Å; F496-K499 WeakPolarHBondContact O-CB 3.36Å; F496-K499 WeakPolarHBondContact O-CG 3.34Å; F496-K499 PolarHBondContact O-N 3.29Å; K497-K499 VanDerWaalsContact C-N 3.29Å; K497-K499 PolarHBondContact O-N 3.35Å; K499-I501 PolarHBondContact O-N 2.87Å
500L91.8Very high85.2Confident0 Ų033.1 Ų33.10%019%0.187CC..EExtended strand (participates in β ladder)trans-77.1118.8178.7-175.766.3000110.2G423 F425 E488 F492 L493 F496 I502 K533 A534G423-L500 CarbonylContact O-C 3.55Å; G423-L500 WeakPolarHBondContact O-CA 3.31Å; F425-L500 HydrophobicContact CD2-CD1 3.4Å; F425-L500 HydrophobicContact CE2-CD1 3.49Å; F425-L500 VanDerWaalsContact CE2-CD1 3.49Å; E488-L500 HydrophobicContact CG-CD2 4.12Å; F492-L500 HydrophobicContact CD1-CD2 4.2Å; F492-L500 HydrophobicContact CE1-CD1 4.01Å; F492-L500 HydrophobicContact CE1-CD2 4.18Å; L493-L500 HydrophobicContact CD2-CD2 3.35Å; F496-L500 HydrophobicContact CB-CB 4.2Å; F496-L500 HydrophobicContact CD2-CB 4.33Å; F496-L500 HydrophobicContact CD2-CD1 3.83Å; F496-L500 HydrophobicContact CE2-CD1 4.12Å; F496-L500 HydrophobicContact CG-CD1 4.42Å; L500-I502 HydrophobicContact CD2-CD1 4.3Å; L500-I502 HydrophobicContact CG-CG1 4.25Å; L500-K533 HydrophobicContact CB-CB 4.13Å; L500-K533 HydrophobicContact CD2-CB 4.1Å; L500-K533 HydrophobicContact CD2-CD 4.48Å; L500-K533 HydrophobicContact CG-CB 4.26Å; L500-K533 CarbonylContact O-C 3.59Å; L500-K533 VanDerWaalsContact O-CA 3.28Å; L500-K533 WeakPolarHBondContact O-CA 3.46Å; L500-A534 PolarHBondContact O-N 3.17Å
501I92Very high84.8Confident12 Ų1230.4 Ų30.46%0.06220%0.202CC..EExtended strand (participates in β ladder)trans-123.7126.5177.6-60.4139000107.5G423 Q424 F425 K499 F503 F522 A534 L581G423-I501 PolarHBondContact O-N 3.06Å; Q424-I501 WeakPolarHBondContact CA-O 3.45Å; Q424-I501 HydrophobicContact CG-CB 4.48Å; Q424-I501 HydrophobicContact CG-CD1 4.06Å; F425-I501 PolarHBondContact N-O 2.85Å; K499-I501 PolarHBondContact O-N 2.87Å; I501-F503 HydrophobicContact CG2-CD2 4.3Å; I501-F503 HydrophobicContact CG2-CE1 4.47Å; I501-F503 HydrophobicContact CG2-CE2 3.79Å; I501-F503 HydrophobicContact CG2-CZ 3.89Å; I501-F522 HydrophobicContact CG2-CD1 4.47Å; I501-F522 HydrophobicContact CG2-CE1 4.14Å; I501-A534 WeakPolarHBondContact CA-O 3.39Å; I501-A534 HydrophobicContact CG1-CB 4.45Å; I501-L581 HydrophobicContact CD1-CD1 4.24Å; I501-L581 HydrophobicContact CD1-CD2 3.28Å; I501-L581 HydrophobicContact CD1-CG 3.71Å; I501-L581 HydrophobicContact CG1-CD1 4.09Å; I501-L581 HydrophobicContact CG1-CD2 3.83Å; I501-L581 HydrophobicContact CG1-CG 4.13Å; I501-L581 HydrophobicContact CG2-CD2 4.11Å
502I91.6Very high83.9Confident1 Ų132.2 Ų32.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-117.9114.3179.7-55.8173.8000107.6F425 W450 M485 E488 L500 K533 A534 T535 E536F425-I502 CarbonylContact O-C 3.08Å; F425-I502 WeakPolarHBondContact O-CA 3.5Å; W450-I502 HydrophobicContact CH2-CG2 4.26Å; W450-I502 HydrophobicContact CZ2-CG2 3.94Å; M485-I502 HydrophobicContact CE-CG2 3.83Å; M485-I502 HydrophobicContact CG-CG2 3.94Å; M485-I502 HydrophobicContact SD-CG2 4.16Å; E488-I502 HydrophobicContact CG-CD1 4.43Å; E488-I502 VanDerWaalsContact OE1-CD1 3.28Å; E488-I502 WeakPolarHBondContact OE1-CD1 3.18Å; L500-I502 HydrophobicContact CD2-CD1 4.3Å; L500-I502 HydrophobicContact CG-CG1 4.25Å; I502-K533 HydrophobicContact CD1-CD 4.23Å; I502-A534 PolarHBondContact N-O 2.86Å; I502-T535 HydrophobicContact CB-CG2 4.38Å; I502-T535 HydrophobicContact CG2-CG2 4.49Å; I502-T535 CarbonylContact O-C 3.6Å; I502-T535 WeakPolarHBondContact O-CA 3.4Å; I502-E536 PolarHBondContact O-N 2.95Å
503F91.4Very high82.5Confident29 Ų2938.8 Ų38.813%0.12726%0.258CS..EExtended strand (participates in β ladder)trans-81.7136.9171.5-61.2-87.9000109.3Q424 F425 Y426 G427 I501 G505 F522 E536Q424-F503 HydrophobicContact CB-CE2 4.14Å; Q424-F503 HydrophobicContact CG-CE2 4.41Å; F425-F503 WeakPolarHBondContact O-CD2 3.45Å; F425-F503 PolarHBondContact O-N 2.82Å; Y426-F503 HydrophobicContact CD1-CB 3.68Å; Y426-F503 AromaticContact CD1-CD2 3.81Å; Y426-F503 HydrophobicContact CD1-CD2 3.81Å; Y426-F503 AromaticContact CD1-CG 3.83Å; Y426-F503 HydrophobicContact CD1-CG 3.83Å; Y426-F503 HydrophobicContact CD2-CD2 4.14Å; Y426-F503 HydrophobicContact CE1-CB 4.06Å; Y426-F503 HydrophobicContact CE1-CD1 4.25Å; Y426-F503 AromaticContact CE1-CD2 3.56Å; Y426-F503 HydrophobicContact CE1-CD2 3.56Å; Y426-F503 HydrophobicContact CE1-CE2 4.03Å; Y426-F503 AromaticContact CE1-CG 3.69Å; Y426-F503 HydrophobicContact CE1-CG 3.69Å; Y426-F503 AromaticContact CE2-CD2 3.92Å; Y426-F503 HydrophobicContact CE2-CD2 3.92Å; Y426-F503 HydrophobicContact CE2-CE2 4.08Å; Y426-F503 HydrophobicContact CG-CB 4.25Å; Y426-F503 HydrophobicContact CG-CD2 4.1Å; Y426-F503 HydrophobicContact CG-CG 4.47Å; Y426-F503 AromaticContact CZ-CD2 3.63Å; Y426-F503 AromaticContact CZ-CE2 3.71Å; G427-F503 PolarHBondContact N-O 2.92Å; I501-F503 HydrophobicContact CG2-CD2 4.3Å; I501-F503 HydrophobicContact CG2-CE1 4.47Å; I501-F503 HydrophobicContact CG2-CE2 3.79Å; I501-F503 HydrophobicContact CG2-CZ 3.89Å; F503-G505 VanDerWaalsContact C-N 3.25Å; F503-G505 PolarHBondContact O-N 3.29Å; F503-F522 AromaticContact CD1-CE1 3.88Å; F503-F522 HydrophobicContact CD1-CE1 3.88Å; F503-F522 AromaticContact CD1-CZ 3.98Å; F503-F522 HydrophobicContact CD1-CZ 3.98Å; F503-F522 AromaticContact CE1-CE1 3.79Å; F503-F522 HydrophobicContact CE1-CE1 3.79Å; F503-F522 AromaticContact CE1-CZ 3.66Å; F503-F522 HydrophobicContact CE1-CZ 3.66Å; F503-E536 WeakPolarHBondContact CA-OE2 3.42Å; F503-E536 WeakPolarHBondContact CB-OE2 3.42Å; F503-E536 WeakPolarHBondContact CD1-OE2 3.47Å
504E86Confident81.1Confident27 Ų2741.4 Ų41.413%0.12628%0.278CS..SBendtrans-64-37-172.7177.356-152.600110.1R453 H454 M485 E536R453-E504 IonicContact CZ-OE1 2.65Å; R453-E504 IonicContact NH1-OE1 3.03Å; R453-E504 PolarHBondContact NH1-OE1 2.95Å; R453-E504 IonicContact NH1-OE2 2.62Å; R453-E504 PolarHBondContact NH1-OE2 3.11Å; H454-E504 PolarHBondContact CD2-O 2.91Å; H454-E504 IonicContact CD2-OE1 2.95Å; H454-E504 IonicContact CE1-OE1 3.09Å; H454-E504 PolarHBondContact NE2-O 3.31Å; H454-E504 IonicContact NE2-OE1 2.62Å; H454-E504 PolarHBondContact NE2-OE1 2.88Å; M485-E504 WeakPolarHBondContact CE-OE2 3.4Å; E504-E536 HydrophobicContact CB-CB 4.36Å; E504-E536 PolarHBondContact N-OE2 2.76Å
505G81.4Confident79.7Confident24 Ų2446.3 Ų46.325%0.24731%0.31CS..SBendtrans-144.7-150.1177.800000112.5F503F503-G505 VanDerWaalsContact C-N 3.25Å; F503-G505 PolarHBondContact O-N 3.29Å
506G82.9Confident77.7Confident46 Ų4651.5 Ų51.547%0.47435%0.347SS..  trans69.3-168.1-178.300000113.2G428G428-G506 VanDerWaalsContact CA-O 3.26Å; G428-G506 WeakPolarHBondContact CA-O 3.3Å; G428-G506 PolarHBondContact N-O 3.33Å
507T82.3Confident76.3Confident34 Ų3455.1 Ų55.121%0.20937%0.37CS..  trans-140.7146.4177.3177.10000109.9D429 R509 A512D429-T507 WeakPolarHBondContact OD1-CB 3.46Å; D429-T507 PolarHBondContact OD1-OG1 3.1Å; D429-T507 WeakPolarHBondContact OD2-CA 3.35Å; D429-T507 PolarHBondContact OD2-OG1 3.21Å; T507-R509 HydrophobicContact CG2-CB 4.1Å; T507-R509 HydrophobicContact CG2-CG 4.47Å; T507-R509 PolarHBondContact O-N 2.71Å; T507-R509 WeakPolarHBondContact OG1-CD 3.33Å; T507-R509 WeakPolarHBondContact OG1-CG 3.3Å; T507-R509 PolarHBondContact OG1-N 2.69Å; T507-R509 PolarHBondContact OG1-NE 3.38Å; T507-A512 HydrophobicContact CG2-CB 3.5Å
508G77.7Confident75.8Confident11 Ų1158 Ų5811%0.11339%0.393CS..  trans-83.86173.600000113.9R408 D429R408-G508 PolarHBondContact NH1-O 3.27Å; R408-G508 PolarHBondContact NH2-O 2.74Å; D429-G508 PolarHBondContact OD2-N 3.09Å
509R83.6Confident75.8Confident64 Ų6458.2 Ų58.224%0.24239%0.394CS..  trans-57.3139.2-177.6-78.3167.5-139.8-162.89.1112.4E410 D429 E459 T507 G511 A512E410-R509 HydrophobicContact CG-CG 3.86Å; E410-R509 WeakPolarHBondContact OE1-CG 3.31Å; D429-R509 IonicContact OD1-CZ 2.87Å; D429-R509 IonicContact OD1-NE 3.95Å; D429-R509 PolarHBondContact OD1-NE 2.76Å; D429-R509 IonicContact OD1-NH2 3.69Å; D429-R509 PolarHBondContact OD1-NH2 2.82Å; E459-R509 IonicContact OE1-CZ 3.93Å; E459-R509 IonicContact OE1-NH1 3.76Å; E459-R509 PolarHBondContact OE1-NH1 2.85Å; E459-R509 IonicContact OE1-NH2 3.84Å; E459-R509 PolarHBondContact OE1-NH2 2.81Å; E459-R509 IonicContact OE2-NH2 2.91Å; E459-R509 PolarHBondContact OE2-NH2 3.31Å; E459-R509 VanDerWaalsContact OE2-NH2 3.09Å; T507-R509 HydrophobicContact CG2-CB 4.1Å; T507-R509 HydrophobicContact CG2-CG 4.47Å; T507-R509 PolarHBondContact O-N 2.71Å; T507-R509 WeakPolarHBondContact OG1-CD 3.33Å; T507-R509 WeakPolarHBondContact OG1-CG 3.3Å; T507-R509 PolarHBondContact OG1-N 2.69Å; T507-R509 PolarHBondContact OG1-NE 3.38Å; R509-G511 PolarHBondContact O-N 3.4Å; R509-A512 HydrophobicContact CB-CB 4.18Å; R509-A512 WeakPolarHBondContact O-CB 3.41Å; R509-A512 PolarHBondContact O-N 3.15Å
510A72.4Confident76Confident102 Ų10254.7 Ų54.784%0.84338%0.382SS*.THydrogen-bonded Turntrans-62.1126.6175.600000110.4A512A510-A512 VanDerWaalsContact C-N 3.34Å
511G64.8Low76.1Confident83 Ų8354.7 Ų54.786%0.85638%0.382SS*.THydrogen-bonded Turntrans84.1-1.1179.900000115.5R509 V513R509-G511 PolarHBondContact O-N 3.4Å; G511-V513 PolarHBondContact O-N 3.42Å
512A65.1Low76.1Confident44 Ų4454.2 Ų54.236%0.36438%0.379SS..  trans-70.1119170.800000110.1T507 R509 A510 S514T507-A512 HydrophobicContact CG2-CB 3.5Å; R509-A512 HydrophobicContact CB-CB 4.18Å; R509-A512 WeakPolarHBondContact O-CB 3.41Å; R509-A512 PolarHBondContact O-N 3.15Å; A510-A512 VanDerWaalsContact C-N 3.34Å; A512-S514 PolarHBondContact O-N 3.22Å; A512-S514 VanDerWaalsContact O-N 3.15Å
513V56Low76.2Confident138 Ų13854.5 Ų54.584%0.83638%0.38SS*.  trans-77.499.9172.2-176.70000107.1G511G511-V513 PolarHBondContact O-N 3.42Å
514S55.6Low76.3Confident74 Ų7453.2 Ų53.252%0.51738%0.375SS..  trans-57.1131.7165.8-44.90000107.6A512 S516A512-S514 PolarHBondContact O-N 3.22Å; A512-S514 VanDerWaalsContact O-N 3.15Å; S514-S516 PolarHBondContact O-N 2.99Å
515P55.3Low76.4Confident102 Ų10254.7 Ų54.766%0.66238%0.379SS*.  trans-52.9129.3175.920.5-29.7000108.1T517P515-T517 VanDerWaalsContact C-N 3.3Å; P515-T517 PolarHBondContact O-N 3.19Å
516S50.7Low76.4Confident120 Ų12054 Ų5484%0.83937%0.372SS*.  trans-65.792.2-176.764.80000109.1S514S514-S516 PolarHBondContact O-N 2.99Å
517T61.8Low76.4Confident87 Ų8754.8 Ų54.853%0.53437%0.368SS..  trans-73.9131.7174.146.60000108.2P515 A519P515-T517 VanDerWaalsContact C-N 3.3Å; P515-T517 PolarHBondContact O-N 3.19Å; T517-A519 WeakPolarHBondContact CB-O 3.4Å; T517-A519 PolarHBondContact O-N 2.93Å
518T75.9Confident76.5Confident119 Ų11954.9 Ų54.973%0.7337%0.37SS*.SBendtrans-67.7-17.817647.20000112.1P555T518-P555 WeakPolarHBondContact O-CD 3.36Å
519A87.2Confident76.7Confident9 Ų958 Ų587%0.07438%0.384CS..  trans-156.3151.217100000111.3T517 A539 L552 R553 T554T517-A519 WeakPolarHBondContact CB-O 3.4Å; T517-A519 PolarHBondContact O-N 2.93Å; A519-A539 HydrophobicContact CB-CB 3.99Å; A519-A539 WeakPolarHBondContact O-CB 3.4Å; A519-L552 HydrophobicContact CB-CD1 3.95Å; A519-R553 CarbonylContact C-O 3.57Å; A519-R553 WeakPolarHBondContact CA-O 3.49Å; A519-T554 HydrophobicContact CB-CG2 4.28Å
520S90.1Very high76.5Confident22 Ų2257 Ų5715%0.15438%0.383CS..EExtended strand (participates in β ladder)trans-124.3134.9169-74.40000109.5E536 L552 R553S520-E536 PolarHBondContact OG-OE1 3.39Å; S520-E536 VanDerWaalsContact OG-OE1 3.13Å; S520-L552 CarbonylContact O-C 3.48Å; S520-L552 WeakPolarHBondContact O-CA 3.03Å; S520-R553 PolarHBondContact N-O 2.8Å; S520-R553 PolarHBondContact O-N 3.12Å
521L93.4Very high76.9Confident1 Ų155 Ų551%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-118.4130.5-178.6-178.665.9000109.1E536 V537 A539 C543 L544 F550 L551 L552 L602L521-E536 CarbonylContact O-C 3.59Å; L521-E536 WeakPolarHBondContact O-CA 3.48Å; L521-V537 HydrophobicContact CB-CG2 4.09Å; L521-V537 HydrophobicContact CD2-CG2 3.77Å; L521-V537 HydrophobicContact CG-CG2 3.71Å; L521-V537 PolarHBondContact O-N 3.14Å; L521-V537 VanDerWaalsContact O-O 3.14Å; L521-A539 HydrophobicContact CB-CB 4.13Å; L521-C543 HydrophobicContact CD2-CB 4.13Å; L521-L544 HydrophobicContact CD1-CD2 4.29Å; L521-L544 HydrophobicContact CD2-CD2 4.31Å; L521-F550 HydrophobicContact CD1-CB 4.01Å; L521-F550 HydrophobicContact CD1-CD1 3.9Å; L521-F550 HydrophobicContact CD1-CG 4.4Å; L521-F550 HydrophobicContact CD2-CD1 4.2Å; L521-F550 HydrophobicContact CG-CD1 3.96Å; L521-L551 CarbonylContact C-O 3.46Å; L521-L551 WeakPolarHBondContact CA-O 3.05Å; L521-L552 HydrophobicContact CB-CD1 4.27Å; L521-L552 HydrophobicContact CD1-CB 3.91Å; L521-L552 HydrophobicContact CD1-CD1 4.2Å; L521-L602 HydrophobicContact CD1-CD2 4.44Å; L521-L602 HydrophobicContact CD2-CD2 4.05Å
522F93.5Very high78Confident2 Ų251 Ų511%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-120.9130.1177.3-61-97.2000109.9I501 F503 A534 T535 E536 F550 L551 F582I501-F522 HydrophobicContact CG2-CD1 4.47Å; I501-F522 HydrophobicContact CG2-CE1 4.14Å; F503-F522 AromaticContact CD1-CE1 3.88Å; F503-F522 HydrophobicContact CD1-CE1 3.88Å; F503-F522 AromaticContact CD1-CZ 3.98Å; F503-F522 HydrophobicContact CD1-CZ 3.98Å; F503-F522 AromaticContact CE1-CE1 3.79Å; F503-F522 HydrophobicContact CE1-CE1 3.79Å; F503-F522 AromaticContact CE1-CZ 3.66Å; F503-F522 HydrophobicContact CE1-CZ 3.66Å; F522-A534 HydrophobicContact CB-CB 4.3Å; F522-A534 HydrophobicContact CD1-CB 4.38Å; F522-T535 CarbonylContact C-O 3.59Å; F522-T535 WeakPolarHBondContact CA-O 3.33Å; F522-E536 HydrophobicContact CD1-CB 3.78Å; F522-E536 HydrophobicContact CD1-CG 4.32Å; F522-E536 HydrophobicContact CE1-CB 3.59Å; F522-E536 HydrophobicContact CE1-CG 3.96Å; F522-E536 HydrophobicContact CZ-CB 4.26Å; F522-E536 HydrophobicContact CZ-CG 4.11Å; F522-F550 CarbonylContact O-C 3.6Å; F522-F550 VanDerWaalsContact O-CA 3.24Å; F522-F550 WeakPolarHBondContact O-CA 3.4Å; F522-L551 HydrophobicContact CB-CB 4.28Å; F522-L551 PolarHBondContact N-O 3.08Å; F522-L551 PolarHBondContact O-N 2.91Å; F522-F582 HydrophobicContact CD2-CE2 4.43Å; F522-F582 HydrophobicContact CD2-CZ 4.42Å; F522-F582 HydrophobicContact CE2-CE2 4.2Å; F522-F582 AromaticContact CE2-CZ 3.78Å; F522-F582 HydrophobicContact CE2-CZ 3.78Å; F522-F582 HydrophobicContact CZ-CZ 4.37Å
523Q93.9Very high79.3Confident6 Ų650 Ų503%0.02831%0.305CS..EExtended strand (participates in β ladder)trans-87.2122.9167.8-173.7171.425.400108.6A534 T535 V537 D548 F550Q523-A534 CarbonylContact O-C 3.59Å; Q523-A534 WeakPolarHBondContact O-CA 3.3Å; Q523-T535 PolarHBondContact N-O 3.4Å; Q523-T535 PolarHBondContact O-N 3.3Å; Q523-V537 HydrophobicContact CB-CG1 4.45Å; Q523-D548 HydrophobicContact CG-CB 4.2Å; Q523-D548 PolarHBondContact NE2-OD2 3.48Å; Q523-F550 HydrophobicContact CB-CD1 4.06Å; Q523-F550 HydrophobicContact CB-CE1 3.57Å; Q523-F550 HydrophobicContact CB-CZ 3.97Å; Q523-F550 HydrophobicContact CG-CD1 4.5Å; Q523-F550 HydrophobicContact CG-CE1 3.8Å; Q523-F550 HydrophobicContact CG-CE2 4.19Å; Q523-F550 HydrophobicContact CG-CZ 3.62Å
524V92.4Very high81Confident2 Ų243.5 Ų43.51%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-105.8125179.2-170.80000108.9T532 A534 V549 A574 M577V524-T532 HydrophobicContact CG1-CG2 4.01Å; V524-A534 HydrophobicContact CG2-CB 4.3Å; V524-V549 HydrophobicContact CB-CB 4.46Å; V524-V549 PolarHBondContact N-O 3.37Å; V524-A574 HydrophobicContact CB-CB 3.99Å; V524-A574 HydrophobicContact CG1-CB 3.79Å; V524-A574 HydrophobicContact CG2-CB 4.15Å; V524-M577 HydrophobicContact CG1-SD 4.08Å; V524-M577 HydrophobicContact CG2-SD 4.38Å
525R87.4Confident82.7Confident58 Ų5840.3 Ų40.322%0.21924%0.243CC..EExtended strand (participates in β ladder)trans-129145.2174.1-71.1-164.6-172.9170.410.8111.2T532 K533 D548 F715 N716R525-T532 CarbonylContact O-C 3.58Å; R525-T532 VanDerWaalsContact O-CA 3.26Å; R525-T532 WeakPolarHBondContact O-CA 3.22Å; R525-K533 PolarHBondContact N-O 3.11Å; R525-K533 PolarHBondContact O-N 2.82Å; R525-D548 WeakPolarHBondContact CG-OD1 3.15Å; R525-D548 IonicContact CZ-OD1 3.18Å; R525-D548 IonicContact CZ-OD2 3.07Å; R525-D548 IonicContact NE-OD1 3.09Å; R525-D548 PolarHBondContact NE-OD1 3.33Å; R525-D548 VanDerWaalsContact NE-OD1 3.14Å; R525-D548 IonicContact NE-OD2 2.99Å; R525-D548 PolarHBondContact NE-OD2 2.87Å; R525-D548 IonicContact NH2-OD2 2.72Å; R525-D548 PolarHBondContact NH2-OD2 2.85Å; R525-F715 PolarHBondContact NH2-O 3.09Å; R525-N716 WeakPolarHBondContact CD-OD1 3.36Å; R525-N716 VanDerWaalsContact CZ-CA 3.48Å; R525-N716 VanDerWaalsContact CZ-OD1 3.24Å; R525-N716 PolarHBondContact NE-OD1 2.83Å; R525-N716 VanDerWaalsContact NH1-CA 3.35Å; R525-N716 VanDerWaalsContact NH1-CB 3.29Å
526G82.3Confident84.5Confident9 Ų937 Ų379%0.09322%0.219CC..  trans120.9152.3174.400000112.8T532 E570G526-T532 PolarHBondContact O-OG1 2.88Å; G526-E570 WeakPolarHBondContact O-CG 3.21Å
527T83.3Confident86.4Confident64 Ų6431.7 Ų31.739%0.39318%0.181SC..SBendtrans-113.7-1.1-168.151.10000112.8N531 D569 E570T527-N531 PolarHBondContact N-OD1 3.11Å; T527-N531 PolarHBondContact OG1-ND2 3.37Å; T527-D569 HydrophobicContact CG2-CB 4.16Å; T527-E570 HydrophobicContact CG2-CG 4.06Å
528S83.3Confident87.8Confident36 Ų3629.1 Ų29.125%0.25217%0.166SC..SBendtrans-152.4166.9-177.766.80000111.7L530 N531 T532S528-L530 PolarHBondContact O-N 3.27Å; S528-L530 VanDerWaalsContact O-N 3.15Å; S528-L530 PolarHBondContact OG-N 3.21Å; S528-N531 PolarHBondContact N-OD1 2.69Å; S528-N531 PolarHBondContact O-N 2.78Å; S528-N531 PolarHBondContact O-OD1 2.59Å; S528-N531 VanDerWaalsContact O-OD1 3.06Å; S528-N531 PolarHBondContact OG-OD1 2.71Å; S528-T532 WeakPolarHBondContact O-CB 3.5Å; S528-T532 PolarHBondContact O-N 3Å; S528-T532 PolarHBondContact O-OG1 3.09Å
529D82.4Confident88.6Confident75 Ų7524.8 Ų24.840%0.40114%0.142SC..THydrogen-bonded Turntrans-60.7-17.8169.964.6-21.6000113.5K497 G498K497-D529 CarbonylContact C-O 3.51Å; K497-D529 WeakPolarHBondContact CA-O 3.09Å; G498-D529 PolarHBondContact N-O 3.18Å
530L79.6Confident88.7Confident43 Ų4329.6 Ų29.623%0.22516%0.159CC..THydrogen-bonded Turntrans-83.8-19.6179.6-57.2-178.8000114.2L493 A494 S528L493-L530 WeakPolarHBondContact CB-O 3.45Å; A494-L530 HydrophobicContact CB-CB 4.41Å; A494-L530 HydrophobicContact CB-CD2 4.02Å; A494-L530 PolarHBondContact N-O 3.13Å; S528-L530 PolarHBondContact O-N 3.27Å; S528-L530 VanDerWaalsContact O-N 3.15Å; S528-L530 PolarHBondContact OG-N 3.21Å
531N81Confident88.8Confident61 Ų6128.7 Ų28.733%0.32615%0.152SC..THydrogen-bonded Turntrans-134.6-4.7-171.869.1-10.6000115.1T527 S528T527-N531 PolarHBondContact N-OD1 3.11Å; T527-N531 PolarHBondContact OG1-ND2 3.37Å; S528-N531 PolarHBondContact N-OD1 2.69Å; S528-N531 PolarHBondContact O-N 2.78Å; S528-N531 PolarHBondContact O-OD1 2.59Å; S528-N531 VanDerWaalsContact O-OD1 3.06Å; S528-N531 PolarHBondContact OG-OD1 2.71Å
532T88.7Confident88.6Confident0 Ų030.9 Ų30.90%017%0.167CC..  trans-75.5131-176.1-56.60000112.3V524 R525 G526 S528 M573 M577V524-T532 HydrophobicContact CG1-CG2 4.01Å; R525-T532 CarbonylContact O-C 3.58Å; R525-T532 VanDerWaalsContact O-CA 3.26Å; R525-T532 WeakPolarHBondContact O-CA 3.22Å; G526-T532 PolarHBondContact O-OG1 2.88Å; S528-T532 WeakPolarHBondContact O-CB 3.5Å; S528-T532 PolarHBondContact O-N 3Å; S528-T532 PolarHBondContact O-OG1 3.09Å; T532-M573 HydrophobicContact CG2-CB 3.87Å; T532-M573 HydrophobicContact CG2-CE 4.22Å; T532-M573 WeakPolarHBondContact OG1-CE 3.36Å; T532-M573 WeakPolarHBondContact OG1-CG 3.45Å; T532-M577 HydrophobicContact CG2-CE 3.64Å
533K91.2Very high88.4Confident23 Ų2331.6 Ų31.610%0.117%0.172CC..EExtended strand (participates in β ladder)trans-138.1149.7168.563.7172.4172.4175.60112.3G486 E488 L493 L500 I502 R525G486-K533 PolarHBondContact O-NZ 2.92Å; E488-K533 IonicContact OE2-NZ 3.73Å; E488-K533 PolarHBondContact OE2-NZ 3.28Å; L493-K533 HydrophobicContact CD2-CB 4.42Å; L493-K533 HydrophobicContact CD2-CD 4.13Å; L500-K533 HydrophobicContact CB-CB 4.13Å; L500-K533 HydrophobicContact CD2-CB 4.1Å; L500-K533 HydrophobicContact CD2-CD 4.48Å; L500-K533 HydrophobicContact CG-CB 4.26Å; L500-K533 CarbonylContact O-C 3.59Å; L500-K533 VanDerWaalsContact O-CA 3.28Å; L500-K533 WeakPolarHBondContact O-CA 3.46Å; I502-K533 HydrophobicContact CD1-CD 4.23Å; R525-K533 PolarHBondContact N-O 3.11Å; R525-K533 PolarHBondContact O-N 2.82Å
534A92.9Very high88.4Confident0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-102.9135.7163.500000110.1L500 I501 I502 F522 Q523 V524 M577L500-A534 PolarHBondContact O-N 3.17Å; I501-A534 WeakPolarHBondContact CA-O 3.39Å; I501-A534 HydrophobicContact CG1-CB 4.45Å; I502-A534 PolarHBondContact N-O 2.86Å; F522-A534 HydrophobicContact CB-CB 4.3Å; F522-A534 HydrophobicContact CD1-CB 4.38Å; Q523-A534 CarbonylContact O-C 3.59Å; Q523-A534 WeakPolarHBondContact O-CA 3.3Å; V524-A534 HydrophobicContact CG2-CB 4.3Å; A534-M577 HydrophobicContact CB-CE 4.28Å; A534-M577 HydrophobicContact CB-SD 3.23Å; A534-M577 WeakPolarHBondContact CB-SD 3.4Å
535T91.4Very high88.3Confident8 Ų831.6 Ų31.65%0.04917%0.173CC..EExtended strand (participates in β ladder)trans-122.6124171.6-53.70000108.8I502 F522 Q523 A717I502-T535 HydrophobicContact CB-CG2 4.38Å; I502-T535 HydrophobicContact CG2-CG2 4.49Å; I502-T535 CarbonylContact O-C 3.6Å; I502-T535 WeakPolarHBondContact O-CA 3.4Å; F522-T535 CarbonylContact C-O 3.59Å; F522-T535 WeakPolarHBondContact CA-O 3.33Å; Q523-T535 PolarHBondContact N-O 3.4Å; Q523-T535 PolarHBondContact O-N 3.3Å; T535-A717 HydrophobicContact CG2-CB 3.51Å
536E92.3Very high88.4Confident33 Ų3328.8 Ų28.815%0.15416%0.162CC..EExtended strand (participates in β ladder)trans-65139.1174.1-168.1176.6-153.100109.2I502 F503 E504 S520 L521 F522I502-E536 PolarHBondContact O-N 2.95Å; F503-E536 WeakPolarHBondContact CA-OE2 3.42Å; F503-E536 WeakPolarHBondContact CB-OE2 3.42Å; F503-E536 WeakPolarHBondContact CD1-OE2 3.47Å; E504-E536 HydrophobicContact CB-CB 4.36Å; E504-E536 PolarHBondContact N-OE2 2.76Å; S520-E536 PolarHBondContact OG-OE1 3.39Å; S520-E536 VanDerWaalsContact OG-OE1 3.13Å; L521-E536 CarbonylContact O-C 3.59Å; L521-E536 WeakPolarHBondContact O-CA 3.48Å; F522-E536 HydrophobicContact CD1-CB 3.78Å; F522-E536 HydrophobicContact CD1-CG 4.32Å; F522-E536 HydrophobicContact CE1-CB 3.59Å; F522-E536 HydrophobicContact CE1-CG 3.96Å; F522-E536 HydrophobicContact CZ-CB 4.26Å; F522-E536 HydrophobicContact CZ-CG 4.11Å
537V91.4Very high88.6Confident7 Ų729.8 Ų29.84%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-131160.7176.1-69.90000108.2L521 Q523 A539 C543 F550 A717L521-V537 HydrophobicContact CB-CG2 4.09Å; L521-V537 HydrophobicContact CD2-CG2 3.77Å; L521-V537 HydrophobicContact CG-CG2 3.71Å; L521-V537 PolarHBondContact O-N 3.14Å; L521-V537 VanDerWaalsContact O-O 3.14Å; Q523-V537 HydrophobicContact CB-CG1 4.45Å; V537-A539 PolarHBondContact O-N 3.03Å; V537-C543 HydrophobicContact CB-CB 4.34Å; V537-C543 HydrophobicContact CG2-CB 4.12Å; V537-F550 HydrophobicContact CG2-CE1 4.21Å; V537-A717 HydrophobicContact CG1-CB 3.72Å
538P90.4Very high88.9Confident34 Ų3427.1 Ų27.122%0.22115%0.149CC..  trans-52.6131.9174.6-26.534.9000111.2R540 C543P538-R540 PolarHBondContact O-N 3.21Å; P538-C543 PolarHBondContact O-SG 2.77Å
539A91.6Very high89.4Confident28 Ų2825.4 Ų25.423%0.23114%0.137CC..SBendtrans-7271.5179.900000111.6A519 L521 V537 L602A519-A539 HydrophobicContact CB-CB 3.99Å; A519-A539 WeakPolarHBondContact O-CB 3.4Å; L521-A539 HydrophobicContact CB-CB 4.13Å; V537-A539 PolarHBondContact O-N 3.03Å; A539-L602 HydrophobicContact CB-CD2 4.41Å
540R91.1Very high90.1Very high110 Ų11021.9 Ų21.942%0.41512%0.118SC..SBendtrans-135.3147.4179.9-64.3-171.9-172.2149.25.3110.7P538 S542 C543 L602 F721P538-R540 PolarHBondContact O-N 3.21Å; R540-S542 PolarHBondContact O-N 2.63Å; R540-C543 WeakPolarHBondContact O-CB 3.42Å; R540-C543 PolarHBondContact O-N 2.78Å; R540-L602 WeakPolarHBondContact CA-O 3.35Å; R540-F721 VanDerWaalsContact NH2-CZ 3.34Å
541A91.1Very high90.8Very high2 Ų219.9 Ų19.92%0.01711%0.107CC..G310 helixtrans-56.1-38.2178.200000112.1C543 L544 W599 L602 G604 A606 Y608A541-C543 PolarHBondContact O-N 3.35Å; A541-C543 VanDerWaalsContact O-N 3.08Å; A541-L544 WeakPolarHBondContact O-CB 3.16Å; A541-L544 WeakPolarHBondContact O-CG 3.37Å; A541-L544 PolarHBondContact O-N 2.81Å; A541-L544 VanDerWaalsContact O-N 3.08Å; A541-W599 HydrophobicContact CB-CE3 3.96Å; A541-W599 HydrophobicContact CB-CZ3 3.69Å; A541-L602 HydrophobicContact CB-CB 4.35Å; A541-G604 VanDerWaalsContact CB-O 3.29Å; A541-G604 WeakPolarHBondContact CB-O 3.48Å; A541-A606 HydrophobicContact CB-CB 3.91Å; A541-Y608 WeakPolarHBondContact O-CB 3.43Å
542S88.6Confident91.4Very high47 Ų4717 Ų1733%0.3299%0.092SC..G310 helixtrans-63.2-13.9179.660.10000115.4R540 P607R540-S542 PolarHBondContact O-N 2.63Å; S542-P607 WeakPolarHBondContact CA-O 3.46Å
543C89.8Confident91.4Very high17 Ų1722.2 Ų22.212%0.11511%0.112CC..G310 helixtrans-89.3-6.5177.6-66.90000112.9L521 V537 P538 R540 A541 F550L521-C543 HydrophobicContact CD2-CB 4.13Å; V537-C543 HydrophobicContact CB-CB 4.34Å; V537-C543 HydrophobicContact CG2-CB 4.12Å; P538-C543 PolarHBondContact O-SG 2.77Å; R540-C543 WeakPolarHBondContact O-CB 3.42Å; R540-C543 PolarHBondContact O-N 2.78Å; A541-C543 PolarHBondContact O-N 3.35Å; A541-C543 VanDerWaalsContact O-N 3.08Å; C543-F550 WeakPolarHBondContact O-CE1 3.41Å; C543-F550 VanDerWaalsContact O-CZ 3.24Å; C543-F550 WeakPolarHBondContact O-CZ 3.43Å
544L93.2Very high91.3Very high2 Ų221.8 Ų21.81%0.0111%0.111CC..  trans-69.8154.2173.9-65.1174.5000111.5L521 A541 F550 W561 F598 W599 L602 Y608 A609L521-L544 HydrophobicContact CD1-CD2 4.29Å; L521-L544 HydrophobicContact CD2-CD2 4.31Å; A541-L544 WeakPolarHBondContact O-CB 3.16Å; A541-L544 WeakPolarHBondContact O-CG 3.37Å; A541-L544 PolarHBondContact O-N 2.81Å; A541-L544 VanDerWaalsContact O-N 3.08Å; L544-F550 HydrophobicContact CD2-CB 3.92Å; L544-F550 HydrophobicContact CD2-CD1 3.89Å; L544-F550 HydrophobicContact CD2-CD2 4.01Å; L544-F550 HydrophobicContact CD2-CE1 4.38Å; L544-F550 HydrophobicContact CD2-CG 3.66Å; L544-W561 HydrophobicContact CB-CH2 4.35Å; L544-W561 HydrophobicContact CD1-CZ2 4.41Å; L544-W561 HydrophobicContact CD2-CD2 4.26Å; L544-W561 HydrophobicContact CD2-CE3 4.12Å; L544-W561 HydrophobicContact CD2-CZ3 4.43Å; L544-F598 HydrophobicContact CD1-CE1 4Å; L544-F598 HydrophobicContact CD1-CZ 4.09Å; L544-W599 HydrophobicContact CD1-CH2 3.98Å; L544-W599 HydrophobicContact CD1-CZ3 3.86Å; L544-L602 HydrophobicContact CD1-CD1 3.95Å; L544-L602 HydrophobicContact CG-CD1 4.41Å; L544-Y608 HydrophobicContact CB-CD1 4.42Å; L544-Y608 HydrophobicContact CB-CD2 3.73Å; L544-Y608 HydrophobicContact CB-CE2 4.32Å; L544-Y608 HydrophobicContact CB-CG 3.8Å; L544-Y608 WeakPolarHBondContact O-CB 3.32Å; L544-A609 PolarHBondContact O-N 3.48Å
545N90.9Very high90.8Very high6 Ų625.7 Ų25.73%0.03214%0.136CC..BIsolated β-bridgetrans-147.5123.2-179.6-171.5-33.2000110.4N547 D548 F550 W561 A609 G713N545-N547 PolarHBondContact O-N 2.79Å; N545-N547 VanDerWaalsContact O-N 3.14Å; N545-N547 WeakPolarHBondContact OD1-CB 3.23Å; N545-N547 PolarHBondContact OD1-N 3.41Å; N545-D548 PolarHBondContact O-N 2.65Å; N545-D548 VanDerWaalsContact O-N 3.08Å; N545-F550 HydrophobicContact CB-CE2 3.83Å; N545-F550 HydrophobicContact CB-CZ 3.89Å; N545-F550 WeakPolarHBondContact O-CE2 3.45Å; N545-W561 WeakPolarHBondContact O-CZ3 3.38Å; N545-A609 WeakPolarHBondContact CA-O 3.48Å; N545-A609 HydrophobicContact CB-CB 4.4Å; N545-G713 WeakPolarHBondContact ND2-CA 3.02Å; N545-G713 PolarHBondContact ND2-O 3.3Å
546S90.9Very high90.3Very high0 Ų032.6 Ų32.60%017%0.168CC..THydrogen-bonded Turntrans-64.3-17.5-175.8-55.20000114.3D548 G563 K564 G565 E591 A609 S610 L614S546-D548 VanDerWaalsContact C-N 3.32Å; S546-G563 CarbonylContact O-C 3.58Å; S546-G563 VanDerWaalsContact O-CA 3.24Å; S546-G563 WeakPolarHBondContact O-CA 3.35Å; S546-K564 PolarHBondContact O-N 2.9Å; S546-G565 WeakPolarHBondContact O-CA 3.29Å; S546-G565 PolarHBondContact O-N 2.65Å; S546-E591 WeakPolarHBondContact CB-OE2 3.01Å; S546-E591 PolarHBondContact OG-OE1 2.95Å; S546-E591 PolarHBondContact OG-OE2 3.07Å; S546-A609 PolarHBondContact N-O 2.8Å; S546-A609 PolarHBondContact OG-O 3.2Å; S546-S610 WeakPolarHBondContact OG-CA 3.37Å; S546-S610 VanDerWaalsContact OG-CB 3.25Å; S546-S610 WeakPolarHBondContact OG-CB 3.48Å; S546-L614 CarbonylContact C-O 3.45Å
547N85Confident90Very high30 Ų3035.1 Ų35.116%0.1618%0.178CC..THydrogen-bonded Turntrans-70.4-28.5174-83.7-35.4000113.2N545 G565 C566 L614N545-N547 PolarHBondContact O-N 2.79Å; N545-N547 VanDerWaalsContact O-N 3.14Å; N545-N547 WeakPolarHBondContact OD1-CB 3.23Å; N545-N547 PolarHBondContact OD1-N 3.41Å; N547-G565 CarbonylContact O-C 3.49Å; N547-C566 WeakPolarHBondContact O-CA 3.48Å; N547-C566 PolarHBondContact O-N 3.01Å; N547-L614 VanDerWaalsContact CA-O 3.26Å; N547-L614 WeakPolarHBondContact CA-O 3.47Å; N547-L614 HydrophobicContact CB-CB 4.5Å; N547-L614 PolarHBondContact N-O 2.97Å; N547-L614 VanDerWaalsContact N-O 3.1Å; N547-L614 WeakPolarHBondContact ND2-CD2 3.46Å; N547-L614 VanDerWaalsContact OD1-C 3.25Å; N547-L614 WeakPolarHBondContact OD1-CA 3.14Å; N547-L614 PolarHBondContact OD1-O 3.11Å
548D90Very high90Very high8 Ų834.8 Ų34.84%0.04318%0.176CC..SBendtrans-117.1168.4-160.4-60.4-51000111.6Q523 R525 N545 S546 F550 G563Q523-D548 HydrophobicContact CG-CB 4.2Å; Q523-D548 PolarHBondContact NE2-OD2 3.48Å; R525-D548 WeakPolarHBondContact CG-OD1 3.15Å; R525-D548 IonicContact CZ-OD1 3.18Å; R525-D548 IonicContact CZ-OD2 3.07Å; R525-D548 IonicContact NE-OD1 3.09Å; R525-D548 PolarHBondContact NE-OD1 3.33Å; R525-D548 VanDerWaalsContact NE-OD1 3.14Å; R525-D548 IonicContact NE-OD2 2.99Å; R525-D548 PolarHBondContact NE-OD2 2.87Å; R525-D548 IonicContact NH2-OD2 2.72Å; R525-D548 PolarHBondContact NH2-OD2 2.85Å; N545-D548 PolarHBondContact O-N 2.65Å; N545-D548 VanDerWaalsContact O-N 3.08Å; S546-D548 VanDerWaalsContact C-N 3.32Å; D548-F550 HydrophobicContact CB-CD2 4.46Å; D548-F550 HydrophobicContact CB-CE2 3.89Å; D548-G563 PolarHBondContact O-N 2.91Å
549V94.6Very high90.2Very high0 Ų033.4 Ų33.40%017%0.167CC..EExtended strand (participates in β ladder)trans-96.3137.8170.4178.90000109.6V524 L560 Y562 C566 E570 R571 A574V524-V549 HydrophobicContact CB-CB 4.46Å; V524-V549 PolarHBondContact N-O 3.37Å; V549-L560 HydrophobicContact CG1-CD1 3.8Å; V549-L560 HydrophobicContact CG1-CG 4.24Å; V549-Y562 HydrophobicContact CB-CD1 4.46Å; V549-Y562 HydrophobicContact CG1-CD1 3.73Å; V549-Y562 HydrophobicContact CG1-CE1 3.85Å; V549-Y562 HydrophobicContact CG2-CD1 4Å; V549-Y562 HydrophobicContact CG2-CE1 4.4Å; V549-C566 HydrophobicContact CG2-CB 3.64Å; V549-E570 HydrophobicContact CG2-CB 4.21Å; V549-R571 HydrophobicContact CG2-CG 4Å; V549-A574 HydrophobicContact CB-CB 3.87Å; V549-A574 HydrophobicContact CG1-CB 3.36Å; V549-A574 HydrophobicContact CG2-CB 4.38Å
550F95.4Very high90.3Very high0 Ų032.2 Ų32.20%016%0.156CC..EExtended strand (participates in β ladder)trans-119.9139.5177.3-74.1-101.4000112.2L521 F522 Q523 V537 C543 L544 N545 D548 L560 W561L521-F550 HydrophobicContact CD1-CB 4.01Å; L521-F550 HydrophobicContact CD1-CD1 3.9Å; L521-F550 HydrophobicContact CD1-CG 4.4Å; L521-F550 HydrophobicContact CD2-CD1 4.2Å; L521-F550 HydrophobicContact CG-CD1 3.96Å; F522-F550 CarbonylContact O-C 3.6Å; F522-F550 VanDerWaalsContact O-CA 3.24Å; F522-F550 WeakPolarHBondContact O-CA 3.4Å; Q523-F550 HydrophobicContact CB-CD1 4.06Å; Q523-F550 HydrophobicContact CB-CE1 3.57Å; Q523-F550 HydrophobicContact CB-CZ 3.97Å; Q523-F550 HydrophobicContact CG-CD1 4.5Å; Q523-F550 HydrophobicContact CG-CE1 3.8Å; Q523-F550 HydrophobicContact CG-CE2 4.19Å; Q523-F550 HydrophobicContact CG-CZ 3.62Å; V537-F550 HydrophobicContact CG2-CE1 4.21Å; C543-F550 WeakPolarHBondContact O-CE1 3.41Å; C543-F550 VanDerWaalsContact O-CZ 3.24Å; C543-F550 WeakPolarHBondContact O-CZ 3.43Å; L544-F550 HydrophobicContact CD2-CB 3.92Å; L544-F550 HydrophobicContact CD2-CD1 3.89Å; L544-F550 HydrophobicContact CD2-CD2 4.01Å; L544-F550 HydrophobicContact CD2-CE1 4.38Å; L544-F550 HydrophobicContact CD2-CG 3.66Å; N545-F550 HydrophobicContact CB-CE2 3.83Å; N545-F550 HydrophobicContact CB-CZ 3.89Å; N545-F550 WeakPolarHBondContact O-CE2 3.45Å; D548-F550 HydrophobicContact CB-CD2 4.46Å; D548-F550 HydrophobicContact CB-CE2 3.89Å; F550-L560 CarbonylContact O-C 3.22Å; F550-W561 HydrophobicContact CB-CB 4.33Å; F550-W561 HydrophobicContact CB-CE3 4.14Å; F550-W561 AromaticContact CD2-CE3 3.69Å; F550-W561 HydrophobicContact CD2-CE3 3.69Å; F550-W561 AromaticContact CD2-CZ3 3.75Å; F550-W561 HydrophobicContact CD2-CZ3 3.75Å; F550-W561 HydrophobicContact CE2-CZ3 4.22Å; F550-W561 HydrophobicContact CG-CE3 4.29Å; F550-W561 PolarHBondContact N-O 2.88Å; F550-W561 PolarHBondContact O-N 3.48Å
551L94.1Very high90.6Very high1 Ų127 Ų271%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-109.5111.2172.3178.365.2000109.1L521 F522 Y559 L560 L581 F582 K586L521-L551 CarbonylContact C-O 3.46Å; L521-L551 WeakPolarHBondContact CA-O 3.05Å; F522-L551 HydrophobicContact CB-CB 4.28Å; F522-L551 PolarHBondContact N-O 3.08Å; F522-L551 PolarHBondContact O-N 2.91Å; L551-Y559 WeakPolarHBondContact CA-O 3.29Å; L551-L560 HydrophobicContact CB-CD1 4.39Å; L551-L560 HydrophobicContact CD1-CD1 4.18Å; L551-L581 HydrophobicContact CD2-CD1 3.8Å; L551-F582 HydrophobicContact CD1-CD2 4.34Å; L551-F582 HydrophobicContact CD2-CD2 3.72Å; L551-F582 HydrophobicContact CD2-CE2 3.48Å; L551-F582 VanDerWaalsContact CD2-CE2 3.48Å; L551-F582 HydrophobicContact CG-CD2 4.15Å; L551-F582 HydrophobicContact CG-CE2 3.91Å; L551-K586 HydrophobicContact CD1-CG 4.45Å
552L93.6Very high90.8Very high0 Ų028 Ų280%014%0.14CC..EExtended strand (participates in β ladder)trans-103.8115.2176.5175.761.8000109.7A519 S520 L521 T554 C558 Y559 F598 A601 L602A519-L552 HydrophobicContact CB-CD1 3.95Å; S520-L552 CarbonylContact O-C 3.48Å; S520-L552 WeakPolarHBondContact O-CA 3.03Å; L521-L552 HydrophobicContact CB-CD1 4.27Å; L521-L552 HydrophobicContact CD1-CB 3.91Å; L521-L552 HydrophobicContact CD1-CD1 4.2Å; L552-T554 HydrophobicContact CG-CG2 4.48Å; L552-C558 CarbonylContact O-C 3.47Å; L552-C558 WeakPolarHBondContact O-CA 3.48Å; L552-Y559 HydrophobicContact CB-CD2 4.4Å; L552-Y559 HydrophobicContact CD2-CD2 3.97Å; L552-Y559 HydrophobicContact CG-CD2 4.19Å; L552-Y559 PolarHBondContact N-O 2.91Å; L552-Y559 PolarHBondContact O-N 3.46Å; L552-F598 HydrophobicContact CB-CE2 4.25Å; L552-F598 HydrophobicContact CD2-CD2 3.63Å; L552-F598 HydrophobicContact CD2-CE2 3.62Å; L552-F598 HydrophobicContact CD2-CG 4.33Å; L552-F598 HydrophobicContact CD2-CZ 4.32Å; L552-A601 HydrophobicContact CD2-CB 4.07Å; L552-L602 HydrophobicContact CD1-CD2 3.65Å; L552-L602 HydrophobicContact CD1-CG 4.46Å; L552-L602 HydrophobicContact CD2-CD1 4.26Å; L552-L602 HydrophobicContact CD2-CD2 3.88Å; L552-L602 HydrophobicContact CD2-CG 3.79Å; L552-L602 HydrophobicContact CG-CD2 4.38Å
553R90.2Very high91.1Very high111 Ų11125.9 Ų25.942%0.41913%0.126SC..EExtended strand (participates in β ladder)trans-100132.9172.9175.3174177.2-165.4-0.6110.7A519 S520 F582A519-R553 CarbonylContact C-O 3.57Å; A519-R553 WeakPolarHBondContact CA-O 3.49Å; S520-R553 PolarHBondContact N-O 2.8Å; S520-R553 PolarHBondContact O-N 3.12Å; R553-F582 HydrophobicContact CB-CD2 4.16Å; R553-F582 HydrophobicContact CB-CE2 3.75Å; R553-F582 HydrophobicContact CB-CZ 4.04Å; R553-F582 VanDerWaalsContact CD-CD1 3.41Å; R553-F582 VanDerWaalsContact CD-CZ 3.44Å; R553-F582 HydrophobicContact CG-CD2 4.49Å; R553-F582 HydrophobicContact CG-CE2 4.35Å; R553-F582 HydrophobicContact CG-CZ 4.38Å
554T88.1Confident91.1Very high13 Ų1330.1 Ų30.18%0.0814%0.142CC..  trans-122.1169.7167.570.10000109.1A519 L552 Q556 K557 Y559 A601A519-T554 HydrophobicContact CB-CG2 4.28Å; L552-T554 HydrophobicContact CG-CG2 4.48Å; T554-Q556 PolarHBondContact O-N 2.83Å; T554-Q556 PolarHBondContact OG1-N 3.41Å; T554-K557 PolarHBondContact N-O 3.33Å; T554-K557 PolarHBondContact OG1-N 3.14Å; T554-K557 PolarHBondContact OG1-O 3.25Å; T554-Y559 HydrophobicContact CG2-CE2 4.31Å; T554-A601 HydrophobicContact CG2-CB 3.55Å
555P83.6Confident90.7Very high83 Ų8330.2 Ų30.254%0.53914%0.144SC..SBendtrans-59.7-30.2175.3-24.932.2000113.5T518T518-P555 WeakPolarHBondContact O-CD 3.36Å
556Q80.6Confident90.5Very high153 Ų15330 Ų3072%0.71514%0.142SC*.SBendtrans-99.9-35.7-174-62.578.113.700113.8T554T554-Q556 PolarHBondContact O-N 2.83Å; T554-Q556 PolarHBondContact OG1-N 3.41Å
557K86.6Confident90.2Very high85 Ų8530.7 Ų30.737%0.3715%0.147SC..  trans-140151.3-172.8-71.4-176.9168.8-161.40112.4T554 Y559 E587T554-K557 PolarHBondContact N-O 3.33Å; T554-K557 PolarHBondContact OG1-N 3.14Å; T554-K557 PolarHBondContact OG1-O 3.25Å; K557-Y559 HydrophobicContact CB-CE2 4.01Å; K557-Y559 HydrophobicContact CD-CE1 4.12Å; K557-Y559 VanDerWaalsContact CD-OH 3.27Å; K557-Y559 WeakPolarHBondContact CD-OH 3.26Å; K557-E587 IonicContact NZ-OE2 3.29Å; K557-E587 PolarHBondContact NZ-OE2 2.65Å
558C90.9Very high90.3Very high0 Ų030.8 Ų30.80%016%0.156CC..EExtended strand (participates in β ladder)trans-109.4134.7162.1-77.30000109.2L552 Q584 K586 E587L552-C558 CarbonylContact O-C 3.47Å; L552-C558 WeakPolarHBondContact O-CA 3.48Å; C558-Q584 PolarHBondContact SG-OE1 2.85Å; C558-K586 HydrophobicContact CB-CG 3.96Å; C558-K586 WeakPolarHBondContact O-CA 3.32Å; C558-E587 PolarHBondContact O-N 2.82Å
559Y93.7Very high90.1Very high6 Ų634.8 Ų34.82%0.02418%0.177CC..EExtended strand (participates in β ladder)trans-113.4137.3173.8-55.4-86.2000109.6L551 L552 T554 K557 E587 V589 P595 F598L551-Y559 WeakPolarHBondContact CA-O 3.29Å; L552-Y559 HydrophobicContact CB-CD2 4.4Å; L552-Y559 HydrophobicContact CD2-CD2 3.97Å; L552-Y559 HydrophobicContact CG-CD2 4.19Å; L552-Y559 PolarHBondContact N-O 2.91Å; L552-Y559 PolarHBondContact O-N 3.46Å; T554-Y559 HydrophobicContact CG2-CE2 4.31Å; K557-Y559 HydrophobicContact CB-CE2 4.01Å; K557-Y559 HydrophobicContact CD-CE1 4.12Å; K557-Y559 VanDerWaalsContact CD-OH 3.27Å; K557-Y559 WeakPolarHBondContact CD-OH 3.26Å; Y559-E587 CarbonylContact C-O 3.53Å; Y559-E587 VanDerWaalsContact CA-O 3.31Å; Y559-E587 WeakPolarHBondContact CA-O 3.14Å; Y559-E587 HydrophobicContact CD1-CB 3.91Å; Y559-E587 HydrophobicContact CD1-CG 4.31Å; Y559-E587 HydrophobicContact CE1-CB 4.29Å; Y559-E587 HydrophobicContact CE1-CG 4.46Å; Y559-V589 HydrophobicContact CD1-CG2 3.72Å; Y559-V589 HydrophobicContact CG-CG2 4.44Å; Y559-P595 HydrophobicContact CE1-CG 4.08Å; Y559-F598 HydrophobicContact CD1-CD2 4.18Å; Y559-F598 AromaticContact CD2-CD2 3.99Å; Y559-F598 HydrophobicContact CD2-CD2 3.99Å; Y559-F598 HydrophobicContact CE1-CB 4.48Å; Y559-F598 AromaticContact CG-CD2 3.76Å; Y559-F598 HydrophobicContact CG-CD2 3.76Å; Y559-F598 HydrophobicContact CG-CE2 4.45Å
560L94.6Very high89.7Confident2 Ų236.2 Ų36.21%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-110.498.5169.9-169.367.8000107.3V549 F550 L551 Y562 A574 T575 K586 E587 V588 V589V549-L560 HydrophobicContact CG1-CD1 3.8Å; V549-L560 HydrophobicContact CG1-CG 4.24Å; F550-L560 CarbonylContact O-C 3.22Å; L551-L560 HydrophobicContact CB-CD1 4.39Å; L551-L560 HydrophobicContact CD1-CD1 4.18Å; L560-Y562 HydrophobicContact CD1-CE1 4.46Å; L560-Y562 HydrophobicContact CD2-CE1 3.52Å; L560-Y562 VanDerWaalsContact CD2-OH 3.27Å; L560-Y562 WeakPolarHBondContact CD2-OH 3.45Å; L560-Y562 HydrophobicContact CG-CD1 4.26Å; L560-Y562 HydrophobicContact CG-CE1 3.52Å; L560-A574 HydrophobicContact CD1-CB 4.15Å; L560-T575 WeakPolarHBondContact CD2-OG1 3.38Å; L560-K586 HydrophobicContact CB-CB 4.3Å; L560-E587 PolarHBondContact N-O 3Å; L560-V588 WeakPolarHBondContact O-CA 3.43Å; L560-V589 PolarHBondContact O-N 3.32Å
561W96.7Very high89.5Confident0 Ų039.8 Ų39.80%020%0.197CC..EExtended strand (participates in β ladder)trans-89.8123.2-175.3-177.591000110.1L544 N545 F550 G563 V589 E591 E594 F598 Y608L544-W561 HydrophobicContact CB-CH2 4.35Å; L544-W561 HydrophobicContact CD1-CZ2 4.41Å; L544-W561 HydrophobicContact CD2-CD2 4.26Å; L544-W561 HydrophobicContact CD2-CE3 4.12Å; L544-W561 HydrophobicContact CD2-CZ3 4.43Å; N545-W561 WeakPolarHBondContact O-CZ3 3.38Å; F550-W561 HydrophobicContact CB-CB 4.33Å; F550-W561 HydrophobicContact CB-CE3 4.14Å; F550-W561 AromaticContact CD2-CE3 3.69Å; F550-W561 HydrophobicContact CD2-CE3 3.69Å; F550-W561 AromaticContact CD2-CZ3 3.75Å; F550-W561 HydrophobicContact CD2-CZ3 3.75Å; F550-W561 HydrophobicContact CE2-CZ3 4.22Å; F550-W561 HydrophobicContact CG-CE3 4.29Å; F550-W561 PolarHBondContact N-O 2.88Å; F550-W561 PolarHBondContact O-N 3.48Å; W561-G563 VanDerWaalsContact CZ3-CA 3.5Å; W561-V589 CarbonylContact C-O 3.48Å; W561-V589 VanDerWaalsContact CA-O 3.29Å; W561-V589 WeakPolarHBondContact CA-O 3.4Å; W561-E591 HydrophobicContact CH2-CB 4.22Å; W561-E591 HydrophobicContact CH2-CG 4.28Å; W561-E591 HydrophobicContact CZ2-CB 3.56Å; W561-E591 HydrophobicContact CZ2-CG 3.64Å; W561-E594 PolarHBondContact NE1-OE1 2.79Å; W561-F598 HydrophobicContact CB-CE2 4Å; W561-F598 HydrophobicContact CB-CZ 4.02Å; W561-F598 AromaticContact CD1-CZ 3.54Å; W561-F598 HydrophobicContact CG-CE2 4.26Å; W561-F598 AromaticContact CG-CZ 3.84Å; W561-F598 HydrophobicContact CG-CZ 3.84Å; W561-Y608 AromaticContact CH2-CE2 3.95Å; W561-Y608 HydrophobicContact CH2-CE2 3.95Å; W561-Y608 AromaticContact CZ2-CE2 3.93Å; W561-Y608 HydrophobicContact CZ2-CE2 3.93Å
562Y96.3Very high89.3Confident25 Ų2545.9 Ų45.910%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-102.4109.8179.1-65.2-19.2000109.7V549 L560 R571 T575 V588 V589 M590 E591V549-Y562 HydrophobicContact CB-CD1 4.46Å; V549-Y562 HydrophobicContact CG1-CD1 3.73Å; V549-Y562 HydrophobicContact CG1-CE1 3.85Å; V549-Y562 HydrophobicContact CG2-CD1 4Å; V549-Y562 HydrophobicContact CG2-CE1 4.4Å; L560-Y562 HydrophobicContact CD1-CE1 4.46Å; L560-Y562 HydrophobicContact CD2-CE1 3.52Å; L560-Y562 VanDerWaalsContact CD2-OH 3.27Å; L560-Y562 WeakPolarHBondContact CD2-OH 3.45Å; L560-Y562 HydrophobicContact CG-CD1 4.26Å; L560-Y562 HydrophobicContact CG-CE1 3.52Å; Y562-R571 HydrophobicContact CD1-CG 3.78Å; Y562-R571 HydrophobicContact CD2-CG 4.03Å; Y562-R571 HydrophobicContact CE1-CB 4.04Å; Y562-R571 HydrophobicContact CE1-CG 3.74Å; Y562-R571 HydrophobicContact CE2-CB 4.33Å; Y562-R571 HydrophobicContact CE2-CG 4.02Å; Y562-R571 HydrophobicContact CG-CG 3.93Å; Y562-T575 PolarHBondContact OH-OG1 3.38Å; Y562-V588 HydrophobicContact CD2-CG1 3.67Å; Y562-V588 HydrophobicContact CE2-CG1 3.38Å; Y562-V588 HydrophobicContact CG-CG1 4.47Å; Y562-V589 PolarHBondContact N-O 2.9Å; Y562-M590 HydrophobicContact CD2-SD 3.71Å; Y562-M590 HydrophobicContact CG-SD 4.38Å; Y562-E591 WeakPolarHBondContact O-CB 3.19Å; Y562-E591 PolarHBondContact O-N 2.87Å
563G93.6Very high89.2Confident2 Ų247.3 Ų47.32%0.02123%0.234CC..  trans-61.6149.4166.500000110.8S546 D548 W561 G565 C566 E591S546-G563 CarbonylContact O-C 3.58Å; S546-G563 VanDerWaalsContact O-CA 3.24Å; S546-G563 WeakPolarHBondContact O-CA 3.35Å; D548-G563 PolarHBondContact O-N 2.91Å; W561-G563 VanDerWaalsContact CZ3-CA 3.5Å; G563-G565 PolarHBondContact O-N 3.03Å; G563-C566 PolarHBondContact O-N 2.96Å; G563-C566 PolarHBondContact O-SG 2.73Å; G563-E591 WeakPolarHBondContact CA-OE2 3.19Å
564K91.4Very high89.1Confident106 Ų10642.1 Ų42.146%0.46122%0.215SC..THydrogen-bonded Turntrans-62.3-28.9-177.7-73.9165.9-175.8171.10113.6S546 E591 E615S546-K564 PolarHBondContact O-N 2.9Å; K564-E591 HydrophobicContact CD-CG 4.28Å; K564-E591 HydrophobicContact CG-CB 4.08Å; K564-E591 HydrophobicContact CG-CG 4.15Å; K564-E591 WeakPolarHBondContact CG-OE2 3.31Å; K564-E591 PolarHBondContact N-OE2 2.94Å; K564-E615 CarbonylContact C-O 3.6Å; K564-E615 HydrophobicContact CB-CB 3.78Å; K564-E615 HydrophobicContact CB-CG 3.95Å; K564-E615 HydrophobicContact CD-CB 4.29Å; K564-E615 HydrophobicContact CD-CG 3.81Å; K564-E615 VanDerWaalsContact CD-OE1 3.23Å; K564-E615 WeakPolarHBondContact CD-OE1 3.31Å; K564-E615 IonicContact NZ-OE1 2.82Å; K564-E615 PolarHBondContact NZ-OE1 2.78Å; K564-E615 IonicContact NZ-OE2 2.82Å
565G84.3Confident89.2Confident4 Ų443.7 Ų43.74%0.04122%0.224CC..THydrogen-bonded Turntrans-89.8-2.2179.300000114.5S546 N547 G563 L614 E615 E617S546-G565 WeakPolarHBondContact O-CA 3.29Å; S546-G565 PolarHBondContact O-N 2.65Å; N547-G565 CarbonylContact O-C 3.49Å; G563-G565 PolarHBondContact O-N 3.03Å; G565-L614 WeakPolarHBondContact CA-O 3.19Å; G565-E615 WeakPolarHBondContact CA-O 3.4Å; G565-E617 WeakPolarHBondContact O-CA 3.25Å
566C86.6Confident89.4Confident1 Ų143.8 Ų43.81%0.00722%0.218CC..  trans-70.1139.3179.275.30000111.7N547 V549 G563 R571N547-C566 WeakPolarHBondContact O-CA 3.48Å; N547-C566 PolarHBondContact O-N 3.01Å; V549-C566 HydrophobicContact CG2-CB 3.64Å; G563-C566 PolarHBondContact O-N 2.96Å; G563-C566 PolarHBondContact O-SG 2.73Å; C566-R571 PolarHBondContact O-NH2 2.82Å; C566-R571 VanDerWaalsContact O-NH2 3.17Å; C566-R571 VanDerWaalsContact SG-CD 3.59Å; C566-R571 WeakPolarHBondContact SG-CG 3.42Å
567S85.1Confident89.6Confident15 Ų1536.8 Ų36.811%0.10519%0.185CC..  trans-72.3160.4179.662.90000113.2D569 E570 R571 E617S567-D569 PolarHBondContact O-N 3.12Å; S567-E570 WeakPolarHBondContact CB-OE2 3.31Å; S567-E570 PolarHBondContact N-OE2 3.18Å; S567-E570 PolarHBondContact O-N 3.12Å; S567-E570 WeakPolarHBondContact OG-CB 3.24Å; S567-E570 VanDerWaalsContact OG-CD 3.32Å; S567-E570 VanDerWaalsContact OG-CG 3.25Å; S567-E570 WeakPolarHBondContact OG-CG 3.38Å; S567-E570 PolarHBondContact OG-N 2.76Å; S567-E570 VanDerWaalsContact OG-N 3.14Å; S567-E570 PolarHBondContact OG-OE2 3.1Å; S567-R571 WeakPolarHBondContact O-CG 3.32Å; S567-R571 PolarHBondContact O-N 2.77Å; S567-R571 PolarHBondContact O-NE 2.84Å; S567-R571 VanDerWaalsContact O-NE 3.11Å; S567-E617 WeakPolarHBondContact CA-OE1 3.48Å
568G85.3Confident89.5Confident32 Ų3232.8 Ų32.833%0.3317%0.168SC..Hα-helixtrans-56.3-39.517000000112.8R571 M572 E617G568-R571 PolarHBondContact O-N 2.76Å; G568-M572 PolarHBondContact O-N 2.89Å; G568-M572 VanDerWaalsContact O-N 3.16Å; G568-E617 PolarHBondContact N-OE1 3.28Å
569D85.8Confident89.1Confident91 Ų9136.9 Ų36.949%0.48719%0.189SC..Hα-helixtrans-69.6-41.9-179.5-69.6-18.4000112T527 S567 R571 M572 M573T527-D569 HydrophobicContact CG2-CB 4.16Å; S567-D569 PolarHBondContact O-N 3.12Å; D569-R571 VanDerWaalsContact C-N 3.33Å; D569-R571 PolarHBondContact O-N 2.61Å; D569-M572 WeakPolarHBondContact O-CB 3.05Å; D569-M572 PolarHBondContact O-N 2.84Å; D569-M573 WeakPolarHBondContact O-CG 3.38Å; D569-M573 PolarHBondContact O-N 3.1Å
570E87.2Confident88Confident31 Ų3142.7 Ų42.715%0.14521%0.212CC..Hα-helixtrans-61.4-40.2174.6-80.2165.1143.900112.4G526 T527 V549 S567 M572 M573 A574G526-E570 WeakPolarHBondContact O-CG 3.21Å; T527-E570 HydrophobicContact CG2-CG 4.06Å; V549-E570 HydrophobicContact CG2-CB 4.21Å; S567-E570 WeakPolarHBondContact CB-OE2 3.31Å; S567-E570 PolarHBondContact N-OE2 3.18Å; S567-E570 PolarHBondContact O-N 3.12Å; S567-E570 WeakPolarHBondContact OG-CB 3.24Å; S567-E570 VanDerWaalsContact OG-CD 3.32Å; S567-E570 VanDerWaalsContact OG-CG 3.25Å; S567-E570 WeakPolarHBondContact OG-CG 3.38Å; S567-E570 PolarHBondContact OG-N 2.76Å; S567-E570 VanDerWaalsContact OG-N 3.14Å; S567-E570 PolarHBondContact OG-OE2 3.1Å; E570-M572 VanDerWaalsContact C-N 3.33Å; E570-M572 PolarHBondContact O-N 3.3Å; E570-M573 PolarHBondContact O-N 3.11Å; E570-A574 WeakPolarHBondContact O-CB 3.24Å; E570-A574 PolarHBondContact O-N 2.76Å
571R91.5Very high86.9Confident75 Ų7544.2 Ų44.228%0.28322%0.219SC..Hα-helixtrans-61.3-42.7175.4-72.7178.6-93.5-173.4-11111.8V549 Y562 C566 S567 G568 D569 T575V549-R571 HydrophobicContact CG2-CG 4Å; Y562-R571 HydrophobicContact CD1-CG 3.78Å; Y562-R571 HydrophobicContact CD2-CG 4.03Å; Y562-R571 HydrophobicContact CE1-CB 4.04Å; Y562-R571 HydrophobicContact CE1-CG 3.74Å; Y562-R571 HydrophobicContact CE2-CB 4.33Å; Y562-R571 HydrophobicContact CE2-CG 4.02Å; Y562-R571 HydrophobicContact CG-CG 3.93Å; C566-R571 PolarHBondContact O-NH2 2.82Å; C566-R571 VanDerWaalsContact O-NH2 3.17Å; C566-R571 VanDerWaalsContact SG-CD 3.59Å; C566-R571 WeakPolarHBondContact SG-CG 3.42Å; S567-R571 WeakPolarHBondContact O-CG 3.32Å; S567-R571 PolarHBondContact O-N 2.77Å; S567-R571 PolarHBondContact O-NE 2.84Å; S567-R571 VanDerWaalsContact O-NE 3.11Å; G568-R571 PolarHBondContact O-N 2.76Å; D569-R571 VanDerWaalsContact C-N 3.33Å; D569-R571 PolarHBondContact O-N 2.61Å; R571-T575 WeakPolarHBondContact O-CB 3.44Å; R571-T575 PolarHBondContact O-N 2.73Å; R571-T575 PolarHBondContact O-OG1 2.88Å
572M90.2Very high85.9Confident129 Ų12944.9 Ų44.964%0.63522%0.222SC*.Hα-helixtrans-63.7-49.6177-170.9-175-57.700111G568 D569 E570 A574 T575 E576G568-M572 PolarHBondContact O-N 2.89Å; G568-M572 VanDerWaalsContact O-N 3.16Å; D569-M572 WeakPolarHBondContact O-CB 3.05Å; D569-M572 PolarHBondContact O-N 2.84Å; E570-M572 VanDerWaalsContact C-N 3.33Å; E570-M572 PolarHBondContact O-N 3.3Å; M572-A574 PolarHBondContact O-N 3.31Å; M572-T575 WeakPolarHBondContact O-CB 3.16Å; M572-T575 PolarHBondContact O-N 2.75Å; M572-E576 PolarHBondContact O-N 2.95Å; M572-E576 VanDerWaalsContact O-N 3.09Å
573M90Very high84.7Confident30 Ų3055.8 Ų55.815%0.14826%0.263CS..Hα-helixtrans-63.7-40.7-179.6-71.8-52.8-53.400112.5T532 D569 E570 T575 E576 M577T532-M573 HydrophobicContact CG2-CB 3.87Å; T532-M573 HydrophobicContact CG2-CE 4.22Å; T532-M573 WeakPolarHBondContact OG1-CE 3.36Å; T532-M573 WeakPolarHBondContact OG1-CG 3.45Å; D569-M573 WeakPolarHBondContact O-CG 3.38Å; D569-M573 PolarHBondContact O-N 3.1Å; E570-M573 PolarHBondContact O-N 3.11Å; M573-T575 VanDerWaalsContact C-N 3.33Å; M573-T575 PolarHBondContact O-N 3.13Å; M573-E576 PolarHBondContact O-N 3.43Å; M573-M577 WeakPolarHBondContact O-CB 3.43Å; M573-M577 PolarHBondContact O-N 3.33Å
574A89.9Confident83.9Confident1 Ų158.9 Ų58.91%0.00828%0.277CS..Hα-helixtrans-66.1-35.4176.100000112.7V524 V549 L560 E570 M572 S578V524-A574 HydrophobicContact CB-CB 3.99Å; V524-A574 HydrophobicContact CG1-CB 3.79Å; V524-A574 HydrophobicContact CG2-CB 4.15Å; V549-A574 HydrophobicContact CB-CB 3.87Å; V549-A574 HydrophobicContact CG1-CB 3.36Å; V549-A574 HydrophobicContact CG2-CB 4.38Å; L560-A574 HydrophobicContact CD1-CB 4.15Å; E570-A574 WeakPolarHBondContact O-CB 3.24Å; E570-A574 PolarHBondContact O-N 2.76Å; M572-A574 PolarHBondContact O-N 3.31Å; A574-S578 VanDerWaalsContact O-CB 3.26Å; A574-S578 WeakPolarHBondContact O-CB 3.33Å; A574-S578 PolarHBondContact O-N 2.8Å; A574-S578 PolarHBondContact O-OG 3.15Å
575T89.6Confident83.4Confident47 Ų4763.1 Ų63.129%0.28829%0.292SS..Hα-helixtrans-63.3-51.8174.9-56.10000110.5L560 Y562 R571 M572 M573 M577 S578 D579L560-T575 WeakPolarHBondContact CD2-OG1 3.38Å; Y562-T575 PolarHBondContact OH-OG1 3.38Å; R571-T575 WeakPolarHBondContact O-CB 3.44Å; R571-T575 PolarHBondContact O-N 2.73Å; R571-T575 PolarHBondContact O-OG1 2.88Å; M572-T575 WeakPolarHBondContact O-CB 3.16Å; M572-T575 PolarHBondContact O-N 2.75Å; M573-T575 VanDerWaalsContact C-N 3.33Å; M573-T575 PolarHBondContact O-N 3.13Å; T575-M577 VanDerWaalsContact C-N 3.3Å; T575-M577 PolarHBondContact O-N 2.65Å; T575-S578 PolarHBondContact O-N 3.38Å; T575-S578 VanDerWaalsContact O-N 3.11Å; T575-S578 PolarHBondContact O-OG 3.06Å; T575-D579 PolarHBondContact O-N 3.21Å
576E86.8Confident83.6Confident85 Ų8564 Ų6440%0.39729%0.294SS..Hα-helixtrans-58.8-41.7177.9-177.962.8-154.600112M572 M573 R580M572-E576 PolarHBondContact O-N 2.95Å; M572-E576 VanDerWaalsContact O-N 3.09Å; M573-E576 PolarHBondContact O-N 3.43Å; E576-R580 WeakPolarHBondContact O-CG 3.12Å; E576-R580 PolarHBondContact O-N 2.72Å; E576-R580 IonicContact OE1-CZ 3Å; E576-R580 IonicContact OE1-NE 2.59Å; E576-R580 PolarHBondContact OE1-NE 2.83Å; E576-R580 IonicContact OE1-NH2 2.78Å; E576-R580 PolarHBondContact OE1-NH2 2.55Å
577M85.6Confident83.8Confident5 Ų566.6 Ų66.63%0.02531%0.307CS..Hα-helixtrans-65.7-41.6176.5-174.3178.3-79.600111.9G498 V524 T532 A534 M573 T575 D579 R580 L581G498-M577 WeakPolarHBondContact O-CE 3.49Å; V524-M577 HydrophobicContact CG1-SD 4.08Å; V524-M577 HydrophobicContact CG2-SD 4.38Å; T532-M577 HydrophobicContact CG2-CE 3.64Å; A534-M577 HydrophobicContact CB-CE 4.28Å; A534-M577 HydrophobicContact CB-SD 3.23Å; A534-M577 WeakPolarHBondContact CB-SD 3.4Å; M573-M577 WeakPolarHBondContact O-CB 3.43Å; M573-M577 PolarHBondContact O-N 3.33Å; T575-M577 VanDerWaalsContact C-N 3.3Å; T575-M577 PolarHBondContact O-N 2.65Å; M577-D579 VanDerWaalsContact C-N 3.34Å; M577-D579 PolarHBondContact O-N 3.49Å; M577-R580 PolarHBondContact O-N 2.88Å; M577-L581 HydrophobicContact CG-CD1 4.01Å; M577-L581 WeakPolarHBondContact O-CB 3.29Å; M577-L581 PolarHBondContact O-N 2.75Å
578S84.7Confident84.3Confident1 Ų169.6 Ų69.61%0.00732%0.324CS..Hα-helixtrans-64.9-36.8179.579.70000112.7A574 T575 R580 L581 F582 K586A574-S578 VanDerWaalsContact O-CB 3.26Å; A574-S578 WeakPolarHBondContact O-CB 3.33Å; A574-S578 PolarHBondContact O-N 2.8Å; A574-S578 PolarHBondContact O-OG 3.15Å; T575-S578 PolarHBondContact O-N 3.38Å; T575-S578 VanDerWaalsContact O-N 3.11Å; T575-S578 PolarHBondContact O-OG 3.06Å; S578-R580 PolarHBondContact O-N 3.2Å; S578-L581 PolarHBondContact O-N 2.94Å; S578-F582 PolarHBondContact O-N 2.93Å; S578-F582 VanDerWaalsContact O-O 3.07Å; S578-K586 WeakPolarHBondContact O-CE 3.35Å; S578-K586 PolarHBondContact O-NZ 3.4Å
579D82Confident84.7Confident86 Ų8668.3 Ų68.346%0.4631%0.31SS..Hα-helixtrans-65.3-29.5177.3-77.2-21.7000113.1T575 M577 K586T575-D579 PolarHBondContact O-N 3.21Å; M577-D579 VanDerWaalsContact C-N 3.34Å; M577-D579 PolarHBondContact O-N 3.49Å; D579-K586 IonicContact OD1-NZ 2.71Å; D579-K586 PolarHBondContact OD1-NZ 2.76Å
580R71.3Confident85.2Confident129 Ų12967.6 Ų67.649%0.48730%0.304SS..Hα-helixtrans-82.7-41.7176.7-65.6173.9-178.8-171.2-1.3112.3E576 M577 S578E576-R580 WeakPolarHBondContact O-CG 3.12Å; E576-R580 PolarHBondContact O-N 2.72Å; E576-R580 IonicContact OE1-CZ 3Å; E576-R580 IonicContact OE1-NE 2.59Å; E576-R580 PolarHBondContact OE1-NE 2.83Å; E576-R580 IonicContact OE1-NH2 2.78Å; E576-R580 PolarHBondContact OE1-NH2 2.55Å; M577-R580 PolarHBondContact O-N 2.88Å; S578-R580 PolarHBondContact O-N 3.2Å
581L70.3Confident85.6Confident33 Ų3366.9 Ų66.917%0.17330%0.301CS..Hα-helixtrans-67-48.6179.7-85.9172.4000112.4I501 L551 M577 S578I501-L581 HydrophobicContact CD1-CD1 4.24Å; I501-L581 HydrophobicContact CD1-CD2 3.28Å; I501-L581 HydrophobicContact CD1-CG 3.71Å; I501-L581 HydrophobicContact CG1-CD1 4.09Å; I501-L581 HydrophobicContact CG1-CD2 3.83Å; I501-L581 HydrophobicContact CG1-CG 4.13Å; I501-L581 HydrophobicContact CG2-CD2 4.11Å; L551-L581 HydrophobicContact CD2-CD1 3.8Å; M577-L581 HydrophobicContact CG-CD1 4.01Å; M577-L581 WeakPolarHBondContact O-CB 3.29Å; M577-L581 PolarHBondContact O-N 2.75Å; S578-L581 PolarHBondContact O-N 2.94Å
582F76.6Confident85.6Confident14 Ų1466 Ų666%0.06132%0.316CS..  trans-130.5123.2-173-51.8-46.5000109.4F522 L551 R553 S578 Q584 K586F522-F582 HydrophobicContact CD2-CE2 4.43Å; F522-F582 HydrophobicContact CD2-CZ 4.42Å; F522-F582 HydrophobicContact CE2-CE2 4.2Å; F522-F582 AromaticContact CE2-CZ 3.78Å; F522-F582 HydrophobicContact CE2-CZ 3.78Å; F522-F582 HydrophobicContact CZ-CZ 4.37Å; L551-F582 HydrophobicContact CD1-CD2 4.34Å; L551-F582 HydrophobicContact CD2-CD2 3.72Å; L551-F582 HydrophobicContact CD2-CE2 3.48Å; L551-F582 VanDerWaalsContact CD2-CE2 3.48Å; L551-F582 HydrophobicContact CG-CD2 4.15Å; L551-F582 HydrophobicContact CG-CE2 3.91Å; R553-F582 HydrophobicContact CB-CD2 4.16Å; R553-F582 HydrophobicContact CB-CE2 3.75Å; R553-F582 HydrophobicContact CB-CZ 4.04Å; R553-F582 VanDerWaalsContact CD-CD1 3.41Å; R553-F582 VanDerWaalsContact CD-CZ 3.44Å; R553-F582 HydrophobicContact CG-CD2 4.49Å; R553-F582 HydrophobicContact CG-CE2 4.35Å; R553-F582 HydrophobicContact CG-CZ 4.38Å; S578-F582 PolarHBondContact O-N 2.93Å; S578-F582 VanDerWaalsContact O-O 3.07Å; F582-Q584 PolarHBondContact O-N 3.26Å; F582-K586 WeakPolarHBondContact O-CE 3.41Å; F582-K586 PolarHBondContact O-NZ 3.2Å
583R71.5Confident85.9Confident254 Ų25467.2 Ų67.296%0.95832%0.32SS*.  trans-72.9-5.9175.7-67.5-176.7-179.5162.30.2113.8
584Q76.3Confident86.1Confident68 Ų6866.9 Ų66.932%0.31832%0.318SS..SBendtrans-70154.8-179.5-67.9177.4-23.600111C558 F582 K586C558-Q584 PolarHBondContact SG-OE1 2.85Å; F582-Q584 PolarHBondContact O-N 3.26Å; Q584-K586 VanDerWaalsContact O-CD 3.32Å; Q584-K586 WeakPolarHBondContact O-CD 3.48Å; Q584-K586 WeakPolarHBondContact O-CE 3.34Å; Q584-K586 PolarHBondContact O-NZ 3.02Å
585Y80.8Confident86.3Confident194 Ų19468.3 Ų68.376%0.76133%0.327SS*.  trans-62139.8168.9176.8-96.3000109.9E587Y585-E587 HydrophobicContact CE1-CB 4.43Å
586K88.1Confident86.5Confident23 Ų2369.1 Ų69.110%0.134%0.338CS..EExtended strand (participates in β ladder)trans-106.1118.2178.3-64.388.7-170.8170.90108.7L551 C558 L560 S578 D579 F582 Q584 V588L551-K586 HydrophobicContact CD1-CG 4.45Å; C558-K586 HydrophobicContact CB-CG 3.96Å; C558-K586 WeakPolarHBondContact O-CA 3.32Å; L560-K586 HydrophobicContact CB-CB 4.3Å; S578-K586 WeakPolarHBondContact O-CE 3.35Å; S578-K586 PolarHBondContact O-NZ 3.4Å; D579-K586 IonicContact OD1-NZ 2.71Å; D579-K586 PolarHBondContact OD1-NZ 2.76Å; F582-K586 WeakPolarHBondContact O-CE 3.41Å; F582-K586 PolarHBondContact O-NZ 3.2Å; Q584-K586 VanDerWaalsContact O-CD 3.32Å; Q584-K586 WeakPolarHBondContact O-CD 3.48Å; Q584-K586 WeakPolarHBondContact O-CE 3.34Å; Q584-K586 PolarHBondContact O-NZ 3.02Å; K586-V588 PolarHBondContact O-N 3.27Å
587E92.1Very high86.8Confident56 Ų5670.2 Ų70.226%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-77.8112.1170-169.3174.7153.900107.8K557 C558 Y559 L560 Y585 V589K557-E587 IonicContact NZ-OE2 3.29Å; K557-E587 PolarHBondContact NZ-OE2 2.65Å; C558-E587 PolarHBondContact O-N 2.82Å; Y559-E587 CarbonylContact C-O 3.53Å; Y559-E587 VanDerWaalsContact CA-O 3.31Å; Y559-E587 WeakPolarHBondContact CA-O 3.14Å; Y559-E587 HydrophobicContact CD1-CB 3.91Å; Y559-E587 HydrophobicContact CD1-CG 4.31Å; Y559-E587 HydrophobicContact CE1-CB 4.29Å; Y559-E587 HydrophobicContact CE1-CG 4.46Å; L560-E587 PolarHBondContact N-O 3Å; Y585-E587 HydrophobicContact CE1-CB 4.43Å; E587-V589 PolarHBondContact O-N 2.84Å
588V94.1Very high87.2Confident78 Ų7870 Ų7047%0.47334%0.343SS..EExtended strand (participates in β ladder)trans-72.8126.5175.4176.90000108.5L560 Y562 K586L560-V588 WeakPolarHBondContact O-CA 3.43Å; Y562-V588 HydrophobicContact CD2-CG1 3.67Å; Y562-V588 HydrophobicContact CE2-CG1 3.38Å; Y562-V588 HydrophobicContact CG-CG1 4.47Å; K586-V588 PolarHBondContact O-N 3.27Å
589V95.3Very high87.7Confident5 Ų571 Ų713%0.0335%0.346CS..EExtended strand (participates in β ladder)trans-122.8119.6-178.1-1780000108.6Y559 L560 W561 Y562 E587 E594Y559-V589 HydrophobicContact CD1-CG2 3.72Å; Y559-V589 HydrophobicContact CG-CG2 4.44Å; L560-V589 PolarHBondContact O-N 3.32Å; W561-V589 CarbonylContact C-O 3.48Å; W561-V589 VanDerWaalsContact CA-O 3.29Å; W561-V589 WeakPolarHBondContact CA-O 3.4Å; Y562-V589 PolarHBondContact N-O 2.9Å; E587-V589 PolarHBondContact O-N 2.84Å; V589-E594 HydrophobicContact CG1-CB 3.96Å; V589-E594 HydrophobicContact CG1-CG 3.7Å
590M94.9Very high88.1Confident76 Ų7673 Ų7337%0.37436%0.356SS..EExtended strand (participates in β ladder)trans-81140.4172.9-58.9-58-60.400109.7Y562 G592 Q593Y562-M590 HydrophobicContact CD2-SD 3.71Å; Y562-M590 HydrophobicContact CG-SD 4.38Å; M590-G592 PolarHBondContact O-N 3.13Å; M590-Q593 HydrophobicContact CB-CB 4.43Å; M590-Q593 PolarHBondContact O-N 3.47Å
591E95.3Very high89.1Confident15 Ų1568 Ų687%0.0734%0.341CS..THydrogen-bonded Turntrans-52.5128.4172173.4175.1-173.200111.6S546 W561 Y562 G563 K564 E594 Y608S546-E591 WeakPolarHBondContact CB-OE2 3.01Å; S546-E591 PolarHBondContact OG-OE1 2.95Å; S546-E591 PolarHBondContact OG-OE2 3.07Å; W561-E591 HydrophobicContact CH2-CB 4.22Å; W561-E591 HydrophobicContact CH2-CG 4.28Å; W561-E591 HydrophobicContact CZ2-CB 3.56Å; W561-E591 HydrophobicContact CZ2-CG 3.64Å; Y562-E591 WeakPolarHBondContact O-CB 3.19Å; Y562-E591 PolarHBondContact O-N 2.87Å; G563-E591 WeakPolarHBondContact CA-OE2 3.19Å; K564-E591 HydrophobicContact CD-CG 4.28Å; K564-E591 HydrophobicContact CG-CB 4.08Å; K564-E591 HydrophobicContact CG-CG 4.15Å; K564-E591 WeakPolarHBondContact CG-OE2 3.31Å; K564-E591 PolarHBondContact N-OE2 2.94Å; E591-E594 WeakPolarHBondContact CA-OE1 3.18Å; E591-Y608 WeakPolarHBondContact CG-OH 3.49Å; E591-Y608 PolarHBondContact OE1-OH 3.02Å
592G92.5Very high90.1Very high58 Ų5866.6 Ų66.660%0.59833%0.334SS*.THydrogen-bonded Turntrans87.9-6.4-174.900000115.2M590 E594M590-G592 PolarHBondContact O-N 3.13Å; G592-E594 VanDerWaalsContact C-OE2 3.31Å; G592-E594 VanDerWaalsContact CA-OE2 3.26Å; G592-E594 WeakPolarHBondContact CA-OE2 3.2Å; G592-E594 PolarHBondContact N-OE1 2.73Å; G592-E594 PolarHBondContact N-OE2 3.43Å; G592-E594 VanDerWaalsContact N-OE2 3.17Å
593Q95.2Very high90.8Very high153 Ų15369.6 Ų69.672%0.71537%0.369SS*.  trans-116.927.5176.3-59-174.310.100112.1M590M590-Q593 HydrophobicContact CB-CB 4.43Å; M590-Q593 PolarHBondContact O-N 3.47Å
594E96Very high91.7Very high23 Ų2359 Ų5911%0.10734%0.338CS..  trans-73.6131.9-174.7-52.885.3171.300112.3W561 V589 E591 G592 F598 W599W561-E594 PolarHBondContact NE1-OE1 2.79Å; V589-E594 HydrophobicContact CG1-CB 3.96Å; V589-E594 HydrophobicContact CG1-CG 3.7Å; E591-E594 WeakPolarHBondContact CA-OE1 3.18Å; G592-E594 VanDerWaalsContact C-OE2 3.31Å; G592-E594 VanDerWaalsContact CA-OE2 3.26Å; G592-E594 WeakPolarHBondContact CA-OE2 3.2Å; G592-E594 PolarHBondContact N-OE1 2.73Å; G592-E594 PolarHBondContact N-OE2 3.43Å; G592-E594 VanDerWaalsContact N-OE2 3.17Å; E594-F598 HydrophobicContact CB-CB 4.44Å; E594-F598 HydrophobicContact CB-CD1 3.74Å; E594-F598 HydrophobicContact CB-CE1 4.29Å; E594-F598 HydrophobicContact CB-CG 4.25Å; E594-F598 HydrophobicContact CG-CD1 3.88Å; E594-F598 HydrophobicContact CG-CE1 3.91Å; E594-W599 HydrophobicContact CB-CZ2 3.86Å; E594-W599 VanDerWaalsContact CD-CZ2 3.4Å; E594-W599 HydrophobicContact CG-CH2 4.33Å; E594-W599 HydrophobicContact CG-CZ2 3.63Å
595P94.4Very high92.4Very high31 Ų3162.8 Ų62.820%0.20135%0.354CS..  trans-68.5160.2175.728.4-33.3000111.6Y559 E597 F598Y559-P595 HydrophobicContact CE1-CG 4.08Å; P595-E597 VanDerWaalsContact C-N 3.26Å; P595-E597 PolarHBondContact O-N 3.28Å; P595-F598 HydrophobicContact CG-CB 3.89Å; P595-F598 WeakPolarHBondContact O-CB 3.22Å; P595-F598 PolarHBondContact O-N 2.99Å; P595-F598 VanDerWaalsContact O-N 3.13Å
596A93.1Very high92.8Very high64 Ų6455.4 Ų55.453%0.52933%0.333SS..Hα-helixtrans-60.9-37.3-177.800000112.1F598 W599 I600A596-F598 VanDerWaalsContact C-N 3.28Å; A596-F598 PolarHBondContact O-N 3.22Å; A596-W599 PolarHBondContact O-N 2.82Å; A596-I600 WeakPolarHBondContact O-CG1 3.46Å; A596-I600 PolarHBondContact O-N 3.25Å
597E92.5Very high92.8Very high109 Ų10959.1 Ų59.151%0.50936%0.36SS..Hα-helixtrans-64-31.7178.9-61.879.4-175.600112.5P595 I600 A601P595-E597 VanDerWaalsContact C-N 3.26Å; P595-E597 PolarHBondContact O-N 3.28Å; E597-I600 PolarHBondContact O-N 2.82Å; E597-A601 WeakPolarHBondContact O-CB 3.39Å; E597-A601 PolarHBondContact O-N 3.38Å
598F94.3Very high92.7Very high0 Ų057.6 Ų57.60%035%0.352CS..Hα-helixtrans-62.8-47.3174.3174.7-89.1000110.6L544 L552 Y559 W561 E594 P595 A596 A601 L602L544-F598 HydrophobicContact CD1-CE1 4Å; L544-F598 HydrophobicContact CD1-CZ 4.09Å; L552-F598 HydrophobicContact CB-CE2 4.25Å; L552-F598 HydrophobicContact CD2-CD2 3.63Å; L552-F598 HydrophobicContact CD2-CE2 3.62Å; L552-F598 HydrophobicContact CD2-CG 4.33Å; L552-F598 HydrophobicContact CD2-CZ 4.32Å; Y559-F598 HydrophobicContact CD1-CD2 4.18Å; Y559-F598 AromaticContact CD2-CD2 3.99Å; Y559-F598 HydrophobicContact CD2-CD2 3.99Å; Y559-F598 HydrophobicContact CE1-CB 4.48Å; Y559-F598 AromaticContact CG-CD2 3.76Å; Y559-F598 HydrophobicContact CG-CD2 3.76Å; Y559-F598 HydrophobicContact CG-CE2 4.45Å; W561-F598 HydrophobicContact CB-CE2 4Å; W561-F598 HydrophobicContact CB-CZ 4.02Å; W561-F598 AromaticContact CD1-CZ 3.54Å; W561-F598 HydrophobicContact CG-CE2 4.26Å; W561-F598 AromaticContact CG-CZ 3.84Å; W561-F598 HydrophobicContact CG-CZ 3.84Å; E594-F598 HydrophobicContact CB-CB 4.44Å; E594-F598 HydrophobicContact CB-CD1 3.74Å; E594-F598 HydrophobicContact CB-CE1 4.29Å; E594-F598 HydrophobicContact CB-CG 4.25Å; E594-F598 HydrophobicContact CG-CD1 3.88Å; E594-F598 HydrophobicContact CG-CE1 3.91Å; P595-F598 HydrophobicContact CG-CB 3.89Å; P595-F598 WeakPolarHBondContact O-CB 3.22Å; P595-F598 PolarHBondContact O-N 2.99Å; P595-F598 VanDerWaalsContact O-N 3.13Å; A596-F598 VanDerWaalsContact C-N 3.28Å; A596-F598 PolarHBondContact O-N 3.22Å; F598-A601 WeakPolarHBondContact O-CB 3.33Å; F598-A601 PolarHBondContact O-N 3.04Å; F598-L602 HydrophobicContact CD1-CD1 4.16Å; F598-L602 HydrophobicContact CE1-CD1 3.53Å; F598-L602 HydrophobicContact CZ-CD1 3.73Å; F598-L602 PolarHBondContact O-N 3.09Å
599W94.8Very high92.3Very high23 Ų2354.1 Ų54.19%0.08733%0.331CS..Hα-helixtrans-67.5-39.1177.8-66.2117000112.4A541 L544 E594 A596 A601 L602 G603 G604 K605 Y608A541-W599 HydrophobicContact CB-CE3 3.96Å; A541-W599 HydrophobicContact CB-CZ3 3.69Å; L544-W599 HydrophobicContact CD1-CH2 3.98Å; L544-W599 HydrophobicContact CD1-CZ3 3.86Å; E594-W599 HydrophobicContact CB-CZ2 3.86Å; E594-W599 VanDerWaalsContact CD-CZ2 3.4Å; E594-W599 HydrophobicContact CG-CH2 4.33Å; E594-W599 HydrophobicContact CG-CZ2 3.63Å; A596-W599 PolarHBondContact O-N 2.82Å; W599-A601 VanDerWaalsContact C-N 3.28Å; W599-A601 PolarHBondContact O-N 3.12Å; W599-L602 HydrophobicContact CE3-CD1 4.37Å; W599-L602 HydrophobicContact CZ3-CD1 4.33Å; W599-L602 CarbonylContact O-C 3.57Å; W599-L602 PolarHBondContact O-N 3.03Å; W599-L602 VanDerWaalsContact O-N 3.12Å; W599-G603 PolarHBondContact O-N 2.94Å; W599-G604 CarbonylContact O-C 3.55Å; W599-G604 VanDerWaalsContact O-CA 3.28Å; W599-G604 WeakPolarHBondContact O-CA 3.4Å; W599-G604 PolarHBondContact O-N 3.45Å; W599-K605 HydrophobicContact CB-CB 4.35Å; W599-K605 HydrophobicContact CD2-CB 3.82Å; W599-K605 HydrophobicContact CD2-CD 4.24Å; W599-K605 HydrophobicContact CD2-CG 3.87Å; W599-K605 HydrophobicContact CE3-CB 4.02Å; W599-K605 HydrophobicContact CE3-CG 4.03Å; W599-K605 HydrophobicContact CG-CB 3.97Å; W599-K605 HydrophobicContact CG-CG 4.42Å; W599-K605 HydrophobicContact CH2-CG 4.36Å; W599-K605 HydrophobicContact CZ2-CD 4.17Å; W599-K605 HydrophobicContact CZ2-CG 4.17Å; W599-K605 HydrophobicContact CZ3-CG 4.28Å; W599-Y608 HydrophobicContact CH2-CD1 4.35Å; W599-Y608 AromaticContact CH2-CE1 3.76Å; W599-Y608 HydrophobicContact CH2-CE1 3.76Å
600I91.8Very high91.8Very high128 Ų12856.2 Ų56.266%0.65635%0.346SS*.Hα-helixtrans-58.9-42.9175.5-68.6165.3000110.5A596 E597 L602 G603A596-I600 WeakPolarHBondContact O-CG1 3.46Å; A596-I600 PolarHBondContact O-N 3.25Å; E597-I600 PolarHBondContact O-N 2.82Å; I600-L602 PolarHBondContact O-N 3.47Å; I600-G603 PolarHBondContact O-N 3.34Å; I600-G603 VanDerWaalsContact O-N 3.07Å
601A91.2Very high91Very high22 Ų2254.8 Ų54.818%0.18234%0.34CS..Hα-helixtrans-62.3-27.517800000113.6L552 T554 E597 F598 W599L552-A601 HydrophobicContact CD2-CB 4.07Å; T554-A601 HydrophobicContact CG2-CB 3.55Å; E597-A601 WeakPolarHBondContact O-CB 3.39Å; E597-A601 PolarHBondContact O-N 3.38Å; F598-A601 WeakPolarHBondContact O-CB 3.33Å; F598-A601 PolarHBondContact O-N 3.04Å; W599-A601 VanDerWaalsContact C-N 3.28Å; W599-A601 PolarHBondContact O-N 3.12Å
602L92.1Very high90.1Very high4 Ų461.9 Ų61.92%0.02137%0.371CS..THydrogen-bonded Turntrans-92.210.9176.7-66.8179.1000113.8L521 A539 R540 A541 L544 L552 F598 W599 I600L521-L602 HydrophobicContact CD1-CD2 4.44Å; L521-L602 HydrophobicContact CD2-CD2 4.05Å; A539-L602 HydrophobicContact CB-CD2 4.41Å; R540-L602 WeakPolarHBondContact CA-O 3.35Å; A541-L602 HydrophobicContact CB-CB 4.35Å; L544-L602 HydrophobicContact CD1-CD1 3.95Å; L544-L602 HydrophobicContact CG-CD1 4.41Å; L552-L602 HydrophobicContact CD1-CD2 3.65Å; L552-L602 HydrophobicContact CD1-CG 4.46Å; L552-L602 HydrophobicContact CD2-CD1 4.26Å; L552-L602 HydrophobicContact CD2-CD2 3.88Å; L552-L602 HydrophobicContact CD2-CG 3.79Å; L552-L602 HydrophobicContact CG-CD2 4.38Å; F598-L602 HydrophobicContact CD1-CD1 4.16Å; F598-L602 HydrophobicContact CE1-CD1 3.53Å; F598-L602 HydrophobicContact CZ-CD1 3.73Å; F598-L602 PolarHBondContact O-N 3.09Å; W599-L602 HydrophobicContact CE3-CD1 4.37Å; W599-L602 HydrophobicContact CZ3-CD1 4.33Å; W599-L602 CarbonylContact O-C 3.57Å; W599-L602 PolarHBondContact O-N 3.03Å; W599-L602 VanDerWaalsContact O-N 3.12Å; I600-L602 PolarHBondContact O-N 3.47Å
603G90.5Very high89.1Confident78 Ų7860.4 Ų60.480%0.80435%0.347SS*.THydrogen-bonded Turntrans77.920.2-178.700000114.3W599 I600W599-G603 PolarHBondContact O-N 2.94Å; I600-G603 PolarHBondContact O-N 3.34Å; I600-G603 VanDerWaalsContact O-N 3.07Å
604G91.3Very high87.9Confident30 Ų3053.1 Ų53.131%0.30931%0.313SS..SBendtrans108.7165.6-178.800000113.1A541 W599A541-G604 VanDerWaalsContact CB-O 3.29Å; A541-G604 WeakPolarHBondContact CB-O 3.48Å; W599-G604 CarbonylContact O-C 3.55Å; W599-G604 VanDerWaalsContact O-CA 3.28Å; W599-G604 WeakPolarHBondContact O-CA 3.4Å; W599-G604 PolarHBondContact O-N 3.45Å
605K91.4Very high87Confident148 Ų14854.7 Ų54.764%0.64332%0.32SS*.  trans-76.4127.8174.4-170.9170.5-175.6168.60109.5W599W599-K605 HydrophobicContact CB-CB 4.35Å; W599-K605 HydrophobicContact CD2-CB 3.82Å; W599-K605 HydrophobicContact CD2-CD 4.24Å; W599-K605 HydrophobicContact CD2-CG 3.87Å; W599-K605 HydrophobicContact CE3-CB 4.02Å; W599-K605 HydrophobicContact CE3-CG 4.03Å; W599-K605 HydrophobicContact CG-CB 3.97Å; W599-K605 HydrophobicContact CG-CG 4.42Å; W599-K605 HydrophobicContact CH2-CG 4.36Å; W599-K605 HydrophobicContact CZ2-CD 4.17Å; W599-K605 HydrophobicContact CZ2-CG 4.17Å; W599-K605 HydrophobicContact CZ3-CG 4.28Å
606A88.7Confident85.9Confident39 Ų3958.4 Ų58.432%0.32233%0.33SS..  trans-13716117600000109.9A541A541-A606 HydrophobicContact CB-CB 3.91Å
607P87.3Confident84.3Confident102 Ų10260.1 Ų60.166%0.66233%0.327SS*.  trans-58.2140.3170.8-22.834.8000111.3S542 L709S542-P607 WeakPolarHBondContact CA-O 3.46Å; P607-L709 VanDerWaalsContact C-CD1 3.47Å; P607-L709 HydrophobicContact CB-CD1 3.6Å
608Y89.4Confident82.7Confident24 Ų2461.6 Ų61.69%0.09434%0.339CS..  trans-141.6171.3177.164-94.4000110.2A541 L544 W561 E591 W599 S610A541-Y608 WeakPolarHBondContact O-CB 3.43Å; L544-Y608 HydrophobicContact CB-CD1 4.42Å; L544-Y608 HydrophobicContact CB-CD2 3.73Å; L544-Y608 HydrophobicContact CB-CE2 4.32Å; L544-Y608 HydrophobicContact CB-CG 3.8Å; L544-Y608 WeakPolarHBondContact O-CB 3.32Å; W561-Y608 AromaticContact CH2-CE2 3.95Å; W561-Y608 HydrophobicContact CH2-CE2 3.95Å; W561-Y608 AromaticContact CZ2-CE2 3.93Å; W561-Y608 HydrophobicContact CZ2-CE2 3.93Å; E591-Y608 WeakPolarHBondContact CG-OH 3.49Å; E591-Y608 PolarHBondContact OE1-OH 3.02Å; W599-Y608 HydrophobicContact CH2-CD1 4.35Å; W599-Y608 AromaticContact CH2-CE1 3.76Å; W599-Y608 HydrophobicContact CH2-CE1 3.76Å; Y608-S610 PolarHBondContact O-N 3.01Å; Y608-S610 PolarHBondContact O-OG 2.83Å
609A86.6Confident80.8Confident5 Ų564.6 Ų64.64%0.04136%0.359CS..BIsolated β-bridgetrans-68.489.9-175.200000111.1L544 N545 S546 L614L544-A609 PolarHBondContact O-N 3.48Å; N545-A609 WeakPolarHBondContact CA-O 3.48Å; N545-A609 HydrophobicContact CB-CB 4.4Å; S546-A609 PolarHBondContact N-O 2.8Å; S546-A609 PolarHBondContact OG-O 3.2Å; A609-L614 HydrophobicContact CB-CD1 3.83Å
610S85.1Confident78.8Confident49 Ų4970.1 Ų70.134%0.34339%0.389SS..  trans-132.429.7-17249.60000113.5S546 Y608S546-S610 WeakPolarHBondContact OG-CA 3.37Å; S546-S610 VanDerWaalsContact OG-CB 3.25Å; S546-S610 WeakPolarHBondContact OG-CB 3.48Å; Y608-S610 PolarHBondContact O-N 3.01Å; Y608-S610 PolarHBondContact O-OG 2.83Å
611D78.8Confident77.4Confident46 Ų4667.6 Ų67.625%0.24637%0.374CS..  trans-60.4140.9173.1-171.4-65.8000110R613 L614 E615 T710D611-R613 PolarHBondContact O-N 3.12Å; D611-R613 WeakPolarHBondContact OD1-CB 3.28Å; D611-R613 VanDerWaalsContact OD1-CG 3.3Å; D611-R613 WeakPolarHBondContact OD1-CG 3.23Å; D611-R613 IonicContact OD1-CZ 2.73Å; D611-R613 PolarHBondContact OD1-N 2.83Å; D611-R613 IonicContact OD1-NE 2.83Å; D611-R613 PolarHBondContact OD1-NE 3.12Å; D611-R613 IonicContact OD1-NH2 3.01Å; D611-R613 IonicContact OD2-CZ 3.41Å; D611-R613 IonicContact OD2-NE 2.65Å; D611-R613 PolarHBondContact OD2-NE 2.79Å; D611-R613 IonicContact OD2-NH2 3.01Å; D611-R613 PolarHBondContact OD2-NH2 3.39Å; D611-L614 HydrophobicContact CB-CD1 4.28Å; D611-L614 HydrophobicContact CB-CG 4.22Å; D611-L614 WeakPolarHBondContact O-CA 3.37Å; D611-L614 WeakPolarHBondContact O-CB 3.47Å; D611-L614 PolarHBondContact O-N 3.12Å; D611-E615 PolarHBondContact O-N 3.47Å; D611-T710 HydrophobicContact CB-CG2 4.4Å
612K75.6Confident76Confident163 Ų16371 Ų7171%0.70940%0.397SS*.THydrogen-bonded Turntrans-51.9-23.7179.6-71.5-174.9177179.90113.9E615K612-E615 PolarHBondContact O-N 2.95Å
613R71.2Confident75.2Confident27 Ų2772.4 Ų72.410%0.10241%0.406CS..THydrogen-bonded Turntrans-68.8-38.8174.5-65.6171.3-69.8172.9-10.3112.2D611 E615 R616 E660 E661D611-R613 PolarHBondContact O-N 3.12Å; D611-R613 WeakPolarHBondContact OD1-CB 3.28Å; D611-R613 VanDerWaalsContact OD1-CG 3.3Å; D611-R613 WeakPolarHBondContact OD1-CG 3.23Å; D611-R613 IonicContact OD1-CZ 2.73Å; D611-R613 PolarHBondContact OD1-N 2.83Å; D611-R613 IonicContact OD1-NE 2.83Å; D611-R613 PolarHBondContact OD1-NE 3.12Å; D611-R613 IonicContact OD1-NH2 3.01Å; D611-R613 IonicContact OD2-CZ 3.41Å; D611-R613 IonicContact OD2-NE 2.65Å; D611-R613 PolarHBondContact OD2-NE 2.79Å; D611-R613 IonicContact OD2-NH2 3.01Å; D611-R613 PolarHBondContact OD2-NH2 3.39Å; R613-E615 PolarHBondContact O-N 2.95Å; R613-R616 PolarHBondContact O-N 2.83Å; R613-E660 WeakPolarHBondContact CD-OE2 3.49Å; R613-E661 IonicContact CZ-OE1 2.79Å; R613-E661 IonicContact NH1-OE1 3.9Å; R613-E661 PolarHBondContact NH1-OE1 3.14Å; R613-E661 IonicContact NH2-OE1 3.46Å; R613-E661 PolarHBondContact NH2-OE1 3.26Å
614L70.4Confident74.6Confident1 Ų171.8 Ų71.81%0.00538%0.379CS..THydrogen-bonded Turntrans-75.9-9.3176.2-47.5174.8000111.7S546 N547 G565 A609 D611 R616 W714S546-L614 CarbonylContact C-O 3.45Å; N547-L614 VanDerWaalsContact CA-O 3.26Å; N547-L614 WeakPolarHBondContact CA-O 3.47Å; N547-L614 HydrophobicContact CB-CB 4.5Å; N547-L614 PolarHBondContact N-O 2.97Å; N547-L614 VanDerWaalsContact N-O 3.1Å; N547-L614 WeakPolarHBondContact ND2-CD2 3.46Å; N547-L614 VanDerWaalsContact OD1-C 3.25Å; N547-L614 WeakPolarHBondContact OD1-CA 3.14Å; N547-L614 PolarHBondContact OD1-O 3.11Å; G565-L614 WeakPolarHBondContact CA-O 3.19Å; A609-L614 HydrophobicContact CB-CD1 3.83Å; D611-L614 HydrophobicContact CB-CD1 4.28Å; D611-L614 HydrophobicContact CB-CG 4.22Å; D611-L614 WeakPolarHBondContact O-CA 3.37Å; D611-L614 WeakPolarHBondContact O-CB 3.47Å; D611-L614 PolarHBondContact O-N 3.12Å; L614-R616 VanDerWaalsContact C-N 3.31Å; L614-W714 HydrophobicContact CD2-CD2 4.11Å; L614-W714 HydrophobicContact CD2-CE3 4.08Å; L614-W714 HydrophobicContact CD2-CH2 3.8Å; L614-W714 HydrophobicContact CD2-CZ2 3.78Å; L614-W714 HydrophobicContact CD2-CZ3 3.94Å
615E76.8Confident74Confident56 Ų5670.3 Ų70.326%0.26237%0.365SS..THydrogen-bonded Turntrans-870.7173.9-57.1-175.1161.600112.5K564 G565 D611 K612 R613K564-E615 CarbonylContact C-O 3.6Å; K564-E615 HydrophobicContact CB-CB 3.78Å; K564-E615 HydrophobicContact CB-CG 3.95Å; K564-E615 HydrophobicContact CD-CB 4.29Å; K564-E615 HydrophobicContact CD-CG 3.81Å; K564-E615 VanDerWaalsContact CD-OE1 3.23Å; K564-E615 WeakPolarHBondContact CD-OE1 3.31Å; K564-E615 IonicContact NZ-OE1 2.82Å; K564-E615 PolarHBondContact NZ-OE1 2.78Å; K564-E615 IonicContact NZ-OE2 2.82Å; G565-E615 WeakPolarHBondContact CA-O 3.4Å; D611-E615 PolarHBondContact O-N 3.47Å; K612-E615 PolarHBondContact O-N 2.95Å; R613-E615 PolarHBondContact O-N 2.95Å
616R70.3Confident73.5Confident108 Ų10864.1 Ų64.141%0.40834%0.338SS..  trans-95.7123.3-179.3-63.1-174.9-176.4162.46.8111.1R613 L614 D618 E660R613-R616 PolarHBondContact O-N 2.83Å; L614-R616 VanDerWaalsContact C-N 3.31Å; R616-D618 PolarHBondContact O-N 3.15Å; R616-E660 IonicContact NH1-OE1 3.63Å; R616-E660 IonicContact NH2-OE1 3.62Å
617E60.7Low72.9Confident100 Ų10065.1 Ų65.147%0.46734%0.335SS..SBendtrans-60.4-42.3176.4-178.2166.1-162.400112.9G565 S567 G568 P619G565-E617 WeakPolarHBondContact O-CA 3.25Å; S567-E617 WeakPolarHBondContact CA-OE1 3.48Å; G568-E617 PolarHBondContact N-OE1 3.28Å; E617-P619 WeakPolarHBondContact O-CD 3.31Å
618D57.8Low72.4Confident140 Ų14060.2 Ų60.275%0.74930%0.304SS*.SBendtrans-114.997.3175.5-73.6-45.4000110.5R616 L620R616-D618 PolarHBondContact O-N 3.15Å; D618-L620 PolarHBondContact O-N 3.03Å
619P54.4Low71.2Confident64 Ų6459.7 Ų59.742%0.41630%0.304SS..  trans-67.2127172.224.6-29.8000109.6E617 H621E617-P619 WeakPolarHBondContact O-CD 3.31Å; P619-H621 PolarHBondContact O-N 3.34Å
620L53.6Low69.9Low139 Ų13961 Ų6173%0.72831%0.31SS*.SBendtrans-55.7-27.2178-72.3161.9000112.6D618D618-L620 PolarHBondContact O-N 3.03Å
621H62.1Low68Low74 Ų7462.1 Ų62.134%0.34331%0.31SS..SBendtrans-144.9130.9-179.1-59.8-70.7000110.6P619 W659P619-H621 PolarHBondContact O-N 3.34Å; H621-W659 HydrophobicContact CB-CB 3.6Å; H621-W659 HydrophobicContact CB-CD2 3.95Å; H621-W659 HydrophobicContact CB-CE3 3.98Å; H621-W659 HydrophobicContact CB-CG 3.78Å; H621-W659 AromaticContact CD2-CD1 3.32Å; H621-W659 AromaticContact CD2-CD2 3.17Å; H621-W659 AromaticContact CD2-CE2 3.22Å; H621-W659 AromaticContact CD2-CE3 3.8Å; H621-W659 AromaticContact CD2-CG 3.22Å; H621-W659 AromaticContact CD2-CZ2 3.8Å; H621-W659 AromaticContact CD2-NE1 3.33Å; H621-W659 PolarHBondContact CD2-NE1 2.89Å; H621-W659 VanDerWaalsContact CD2-NE1 3.33Å; H621-W659 AromaticContact CE1-CD2 3.95Å; H621-W659 AromaticContact CE1-CE2 3.74Å; H621-W659 AromaticContact CE1-CE3 3.98Å; H621-W659 AromaticContact CE1-CH2 3.35Å; H621-W659 WeakPolarHBondContact CE1-CH2 3.48Å; H621-W659 AromaticContact CE1-CZ2 3.48Å; H621-W659 VanDerWaalsContact CE1-CZ2 3.48Å; H621-W659 WeakPolarHBondContact CE1-CZ2 3.37Å; H621-W659 AromaticContact CE1-CZ3 3.66Å; H621-W659 AromaticContact CG-CD2 3.32Å; H621-W659 AromaticContact CG-CE2 3.81Å; H621-W659 AromaticContact CG-CE3 3.47Å; H621-W659 VanDerWaalsContact CG-CE3 3.47Å; H621-W659 AromaticContact CG-CG 3.52Å; H621-W659 AromaticContact CG-CZ3 3.9Å; H621-W659 AromaticContact ND1-CD2 3.81Å; H621-W659 AromaticContact ND1-CE3 3.6Å; H621-W659 AromaticContact ND1-CH2 3.74Å; H621-W659 AromaticContact ND1-CZ3 3.52Å; H621-W659 AromaticContact NE2-CD1 4Å; H621-W659 AromaticContact NE2-CD2 3.61Å; H621-W659 AromaticContact NE2-CE2 3.17Å; H621-W659 AromaticContact NE2-CH2 3.64Å; H621-W659 AromaticContact NE2-CZ2 3.24Å; H621-W659 WeakPolarHBondContact NE2-CZ2 3.37Å; H621-W659 AromaticContact NE2-NE1 3.5Å; H621-W659 PolarHBondContact NE2-NE1 3.18Å
622S62.9Low66.1Low95 Ų9563.4 Ų63.466%0.66432%0.319SS*.  trans-77.1142.9174.2-51.80000111.1
623P73.8Confident64.5Low32 Ų3259 Ų5921%0.20832%0.32CS..  trans-66.5149177.331-38.4000111.4F643 L656 D657 T658 W714P623-F643 HydrophobicContact CB-CE1 4.49Å; P623-F643 HydrophobicContact CB-CZ 4.08Å; P623-F643 HydrophobicContact CG-CE1 4.44Å; P623-F643 HydrophobicContact CG-CZ 3.98Å; P623-L656 HydrophobicContact CB-CD1 4.13Å; P623-D657 CarbonylContact C-O 3.47Å; P623-D657 WeakPolarHBondContact CA-O 3.44Å; P623-T658 HydrophobicContact CB-CG2 4.46Å; P623-W714 HydrophobicContact CB-CD2 4.31Å; P623-W714 HydrophobicContact CB-CE3 4.04Å; P623-W714 HydrophobicContact CB-CZ3 4.49Å; P623-W714 HydrophobicContact CG-CD2 4.33Å; P623-W714 HydrophobicContact CG-CE3 3.63Å; P623-W714 HydrophobicContact CG-CZ3 4.05Å
624R79.1Confident63.3Low65 Ų6564 Ų6425%0.24534%0.339CS..EExtended strand (participates in β ladder)trans-131.5128.7-179.8-62.3173.569.5-161.35.9110F626 E639 L656 D657 Y685R624-F626 HydrophobicContact CB-CE2 3.73Å; R624-F626 HydrophobicContact CB-CZ 4.1Å; R624-E639 IonicContact CZ-OE1 3.9Å; R624-E639 IonicContact CZ-OE2 3.99Å; R624-E639 IonicContact NE-OE1 2.94Å; R624-E639 PolarHBondContact NE-OE1 2.68Å; R624-E639 IonicContact NE-OE2 3.58Å; R624-E639 IonicContact NH2-OE1 3.09Å; R624-E639 PolarHBondContact NH2-OE1 2.85Å; R624-E639 IonicContact NH2-OE2 3.8Å; R624-E639 PolarHBondContact NH2-OE2 2.84Å; R624-L656 CarbonylContact O-C 3.51Å; R624-L656 WeakPolarHBondContact O-CA 3.16Å; R624-D657 PolarHBondContact N-O 3.31Å; R624-D657 PolarHBondContact O-N 2.89Å; R624-Y685 PolarHBondContact NH1-OH 3.01Å
625L78.1Confident62.5Low0 Ų066.3 Ų66.30%035%0.349CS..EExtended strand (participates in β ladder)trans-101.6140.6177.3-172.369.5000110V640 F643 D647 L648 M654 L655 L656 F715L625-V640 HydrophobicContact CB-CB 4.31Å; L625-V640 HydrophobicContact CD2-CB 4.21Å; L625-V640 HydrophobicContact CD2-CG1 4.36Å; L625-V640 HydrophobicContact CG-CB 4.35Å; L625-V640 PolarHBondContact O-N 2.79Å; L625-F643 HydrophobicContact CB-CB 3.93Å; L625-F643 HydrophobicContact CB-CD1 3.43Å; L625-F643 VanDerWaalsContact CB-CD1 3.43Å; L625-F643 HydrophobicContact CB-CD2 4.26Å; L625-F643 HydrophobicContact CB-CE1 3.98Å; L625-F643 HydrophobicContact CB-CG 3.6Å; L625-F643 HydrophobicContact CD2-CB 3.47Å; L625-F643 VanDerWaalsContact CD2-CB 3.47Å; L625-F643 HydrophobicContact CD2-CD1 4.5Å; L625-F643 HydrophobicContact CD2-CD2 4.15Å; L625-F643 HydrophobicContact CD2-CG 3.81Å; L625-F643 HydrophobicContact CG-CB 4.35Å; L625-F643 HydrophobicContact CG-CG 4.33Å; L625-D647 HydrophobicContact CD2-CB 4.33Å; L625-L648 HydrophobicContact CD1-CD2 4.43Å; L625-L648 HydrophobicContact CD2-CD2 4.43Å; L625-M654 HydrophobicContact CD1-CB 4.05Å; L625-M654 HydrophobicContact CD1-CE 4.48Å; L625-M654 HydrophobicContact CD2-CE 3.96Å; L625-M654 HydrophobicContact CG-CE 4.09Å; L625-L655 CarbonylContact C-O 3.46Å; L625-L655 WeakPolarHBondContact CA-O 3.43Å; L625-L656 HydrophobicContact CB-CD1 4.35Å; L625-L656 HydrophobicContact CD1-CB 3.94Å; L625-L656 HydrophobicContact CD1-CD1 4.22Å; L625-F715 HydrophobicContact CD2-CE1 4.45Å
626F79.9Confident61.3Low18 Ų1870.3 Ų70.38%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-132.2138.4173.6-52.3-101.8000110.2R624 I637 T638 E639 M654 L655 D657 Y685R624-F626 HydrophobicContact CB-CE2 3.73Å; R624-F626 HydrophobicContact CB-CZ 4.1Å; F626-I637 HydrophobicContact CB-CG2 3.58Å; F626-I637 HydrophobicContact CD1-CG2 3.94Å; F626-I637 HydrophobicContact CG-CG2 4.03Å; F626-T638 CarbonylContact C-O 3.53Å; F626-T638 WeakPolarHBondContact CA-O 3.15Å; F626-E639 HydrophobicContact CD1-CB 3.67Å; F626-E639 HydrophobicContact CD1-CG 4.11Å; F626-E639 HydrophobicContact CE1-CB 3.68Å; F626-E639 HydrophobicContact CE1-CG 3.86Å; F626-E639 HydrophobicContact CZ-CG 4.39Å; F626-M654 CarbonylContact O-C 3.53Å; F626-M654 WeakPolarHBondContact O-CA 3.42Å; F626-L655 HydrophobicContact CB-CB 4.27Å; F626-L655 HydrophobicContact CD2-CD2 3.76Å; F626-L655 HydrophobicContact CE2-CD2 4.27Å; F626-L655 PolarHBondContact N-O 3.31Å; F626-L655 PolarHBondContact O-N 3.1Å; F626-D657 HydrophobicContact CE2-CB 4.45Å; F626-Y685 HydrophobicContact CZ-CE2 4.28Å
627E76.7Confident61Low59 Ų5968.5 Ų68.528%0.27636%0.359SS..EExtended strand (participates in β ladder)trans-86128.3169.3179.1-171.1-115.900109.1I637 T638 V640 D652 M654E627-I637 CarbonylContact O-C 3.52Å; E627-I637 VanDerWaalsContact O-CA 3.24Å; E627-I637 WeakPolarHBondContact O-CA 3.44Å; E627-T638 PolarHBondContact N-O 3.23Å; E627-T638 PolarHBondContact O-N 2.79Å; E627-V640 HydrophobicContact CB-CG2 4.19Å; E627-D652 HydrophobicContact CG-CB 4.48Å; E627-M654 HydrophobicContact CB-CE 3.81Å; E627-M654 HydrophobicContact CB-SD 4.02Å; E627-M654 HydrophobicContact CG-CE 4.41Å; E627-M654 HydrophobicContact CG-SD 4.06Å
628C77.2Confident61.1Low0 Ų066.5 Ų66.50%035%0.354CS..EExtended strand (participates in β ladder)trans-115.592.3179-54.60000108.9F635 R636 I637 V653 S678C628-F635 HydrophobicContact CB-CE2 3.77Å; C628-F635 HydrophobicContact CB-CZ 3.66Å; C628-R636 CarbonylContact C-O 3.25Å; C628-R636 WeakPolarHBondContact CA-O 3.33Å; C628-I637 HydrophobicContact CB-CG1 4.33Å; C628-V653 VanDerWaalsContact CA-O 3.29Å; C628-V653 WeakPolarHBondContact CA-O 3.38Å; C628-V653 HydrophobicContact CB-CB 4.22Å; C628-V653 WeakPolarHBondContact CB-O 3.47Å; C628-V653 PolarHBondContact N-O 2.99Å; C628-V653 PolarHBondContact O-N 3.42Å; C628-S678 WeakPolarHBondContact CB-OG 3.41Å
629S63.8Low61.8Low13 Ų1362 Ų629%0.09133%0.328CS..EExtended strand (participates in β ladder)trans-124144.1-170.6-175.40000111.9Q631 F635 R636 D652S629-Q631 WeakPolarHBondContact OG-CB 3.32Å; S629-Q631 WeakPolarHBondContact OG-CG 3.28Å; S629-Q631 PolarHBondContact OG-N 2.79Å; S629-Q631 VanDerWaalsContact OG-N 3.15Å; S629-F635 CarbonylContact O-C 3.59Å; S629-F635 WeakPolarHBondContact O-CA 3.41Å; S629-R636 PolarHBondContact N-O 3.32Å; S629-R636 PolarHBondContact O-N 3.25Å; S629-D652 WeakPolarHBondContact CA-OD1 3.46Å; S629-D652 WeakPolarHBondContact CB-OD1 3.32Å; S629-D652 WeakPolarHBondContact CB-OD2 3.36Å; S629-D652 PolarHBondContact OG-OD1 3.37Å; S629-D652 PolarHBondContact OG-OD2 3.34Å; S629-D652 VanDerWaalsContact OG-OD2 3.06Å
630N59.2Low62.1Low31 Ų3160.3 Ų60.317%0.16632%0.317CS..  trans-112.78.6166.677.424.9000113.6T632 G633 R634 F635 N671 E674N630-T632 PolarHBondContact O-N 3.45Å; N630-G633 WeakPolarHBondContact O-CA 3.36Å; N630-G633 PolarHBondContact O-N 3.39Å; N630-R634 WeakPolarHBondContact CA-O 3.24Å; N630-F635 HydrophobicContact CB-CB 4.23Å; N630-N671 PolarHBondContact ND2-ND2 2.96Å; N630-N671 PolarHBondContact ND2-OD1 3.29Å; N630-N671 PolarHBondContact OD1-ND2 2.82Å; N630-E674 HydrophobicContact CB-CG 4.03Å; N630-E674 PolarHBondContact N-OE1 2.99Å; N630-E674 PolarHBondContact OD1-OE1 2.94Å
631Q45.2Very low62.7Low74 Ų7461.5 Ų61.535%0.34631%0.313SS..THydrogen-bonded Turntrans-56.8-19.2-179.7-66.4179.322.900114K149 S629 G633 E651 D652K149-Q631 PolarHBondContact NZ-O 2.75Å; S629-Q631 WeakPolarHBondContact OG-CB 3.32Å; S629-Q631 WeakPolarHBondContact OG-CG 3.28Å; S629-Q631 PolarHBondContact OG-N 2.79Å; S629-Q631 VanDerWaalsContact OG-N 3.15Å; Q631-G633 VanDerWaalsContact C-N 3.26Å; Q631-G633 PolarHBondContact O-N 3.09Å; Q631-E651 VanDerWaalsContact NE2-CB 3.33Å; Q631-D652 PolarHBondContact NE2-OD1 2.78Å; Q631-D652 PolarHBondContact NE2-OD2 3.46Å; Q631-D652 VanDerWaalsContact NE2-OD2 3.1Å
632T40.2Very low62.7Low72 Ų7264.6 Ų64.644%0.44233%0.332SS..THydrogen-bonded Turntrans-80.92.7172.2640000114.4N630 R634N630-T632 PolarHBondContact O-N 3.45Å; T632-R634 PolarHBondContact OG1-O 3.23Å
633G40.9Very low63Low70 Ų7061.6 Ų61.672%0.72231%0.307SS*.SBendtrans91.1-7.3-176.500000114.7N630 Q631N630-G633 WeakPolarHBondContact O-CA 3.36Å; N630-G633 PolarHBondContact O-N 3.39Å; Q631-G633 VanDerWaalsContact C-N 3.26Å; Q631-G633 PolarHBondContact O-N 3.09Å
634R45.4Very low63.1Low132 Ų13260.5 Ų60.550%0.49830%0.3SS..SBendtrans-142.3145.4172.3-67.1-176.5-178.6175.61.8109.4N254 N630 T632N254-R634 PolarHBondContact O-NH1 2.87Å; N630-R634 WeakPolarHBondContact CA-O 3.24Å; T632-R634 PolarHBondContact OG1-O 3.23Å
635F53.5Low63.2Low51 Ų5157.5 Ų57.522%0.22429%0.288CS..  trans-67.2129178.7-177.8-96.3000111.4C628 S629 N630 I637 E674 E677 S678 S681C628-F635 HydrophobicContact CB-CE2 3.77Å; C628-F635 HydrophobicContact CB-CZ 3.66Å; S629-F635 CarbonylContact O-C 3.59Å; S629-F635 WeakPolarHBondContact O-CA 3.41Å; N630-F635 HydrophobicContact CB-CB 4.23Å; F635-I637 HydrophobicContact CE1-CD1 3.83Å; F635-I637 HydrophobicContact CE1-CG1 3.71Å; F635-I637 HydrophobicContact CZ-CD1 4.2Å; F635-I637 HydrophobicContact CZ-CG1 3.98Å; F635-E674 HydrophobicContact CD2-CG 4.22Å; F635-E674 HydrophobicContact CE2-CB 4.43Å; F635-E674 HydrophobicContact CE2-CG 4.42Å; F635-E677 HydrophobicContact CB-CB 4.2Å; F635-E677 HydrophobicContact CB-CG 4.31Å; F635-E677 HydrophobicContact CD1-CB 3.57Å; F635-E677 HydrophobicContact CD1-CG 4.43Å; F635-E677 HydrophobicContact CD2-CB 3.53Å; F635-E677 HydrophobicContact CD2-CG 4.37Å; F635-E677 HydrophobicContact CE1-CB 3.71Å; F635-E677 HydrophobicContact CE2-CB 3.66Å; F635-E677 HydrophobicContact CG-CB 3.47Å; F635-E677 VanDerWaalsContact CG-CB 3.47Å; F635-E677 HydrophobicContact CG-CG 4.12Å; F635-E677 VanDerWaalsContact CZ-C 3.45Å; F635-E677 HydrophobicContact CZ-CB 3.75Å; F635-S678 WeakPolarHBondContact CE2-OG 3.47Å; F635-S678 VanDerWaalsContact CZ-N 3.28Å; F635-S678 WeakPolarHBondContact CZ-OG 3.42Å; F635-S681 WeakPolarHBondContact CE1-OG 3.33Å
636R53.2Low63.2Low140 Ų14060.1 Ų60.153%0.52831%0.306SS..EExtended strand (participates in β ladder)trans-137.4150-179.5-68.6-177.765.6-160.6-4.4110.3C628 S629C628-R636 CarbonylContact C-O 3.25Å; C628-R636 WeakPolarHBondContact CA-O 3.33Å; S629-R636 PolarHBondContact N-O 3.32Å; S629-R636 PolarHBondContact O-N 3.25Å
637I64.2Low63Low69 Ų6961.1 Ų61.135%0.35431%0.313SS..EExtended strand (participates in β ladder)trans-117.8119.9173.7-60.1175.1000108.9F626 E627 C628 F635F626-I637 HydrophobicContact CB-CG2 3.58Å; F626-I637 HydrophobicContact CD1-CG2 3.94Å; F626-I637 HydrophobicContact CG-CG2 4.03Å; E627-I637 CarbonylContact O-C 3.52Å; E627-I637 VanDerWaalsContact O-CA 3.24Å; E627-I637 WeakPolarHBondContact O-CA 3.44Å; C628-I637 HydrophobicContact CB-CG1 4.33Å; F635-I637 HydrophobicContact CE1-CD1 3.83Å; F635-I637 HydrophobicContact CE1-CG1 3.71Å; F635-I637 HydrophobicContact CZ-CD1 4.2Å; F635-I637 HydrophobicContact CZ-CG1 3.98Å
638T61.7Low63.4Low58 Ų5858.6 Ų58.636%0.35630%0.301SS..EExtended strand (participates in β ladder)trans-122.8129.6-177.4-49.50000109.6F626 E627F626-T638 CarbonylContact C-O 3.53Å; F626-T638 WeakPolarHBondContact CA-O 3.15Å; E627-T638 PolarHBondContact N-O 3.23Å; E627-T638 PolarHBondContact O-N 2.79Å
639E72.2Confident63.6Low45 Ų4561.2 Ų61.221%0.2132%0.315CS..EExtended strand (participates in β ladder)trans-73.2133.7177.7-172.9166.6-167.700111.6R624 F626 Y641R624-E639 IonicContact CZ-OE1 3.9Å; R624-E639 IonicContact CZ-OE2 3.99Å; R624-E639 IonicContact NE-OE1 2.94Å; R624-E639 PolarHBondContact NE-OE1 2.68Å; R624-E639 IonicContact NE-OE2 3.58Å; R624-E639 IonicContact NH2-OE1 3.09Å; R624-E639 PolarHBondContact NH2-OE1 2.85Å; R624-E639 IonicContact NH2-OE2 3.8Å; R624-E639 PolarHBondContact NH2-OE2 2.84Å; F626-E639 HydrophobicContact CD1-CB 3.67Å; F626-E639 HydrophobicContact CD1-CG 4.11Å; F626-E639 HydrophobicContact CE1-CB 3.68Å; F626-E639 HydrophobicContact CE1-CG 3.86Å; F626-E639 HydrophobicContact CZ-CG 4.39Å; E639-Y641 HydrophobicContact CB-CE2 4.01Å; E639-Y641 HydrophobicContact CG-CD1 4.46Å; E639-Y641 HydrophobicContact CG-CD2 4.34Å; E639-Y641 HydrophobicContact CG-CE1 4.11Å; E639-Y641 HydrophobicContact CG-CE2 3.95Å; E639-Y641 PolarHBondContact OE2-OH 2.84Å; E639-Y641 VanDerWaalsContact OE2-OH 3.09Å
640V61.8Low64.7Low29 Ų2963.9 Ų63.918%0.17633%0.326CS..EExtended strand (participates in β ladder)trans-104.6110.2174.9-175.70000108.4L625 E627 F643 D647 M654L625-V640 HydrophobicContact CB-CB 4.31Å; L625-V640 HydrophobicContact CD2-CB 4.21Å; L625-V640 HydrophobicContact CD2-CG1 4.36Å; L625-V640 HydrophobicContact CG-CB 4.35Å; L625-V640 PolarHBondContact O-N 2.79Å; E627-V640 HydrophobicContact CB-CG2 4.19Å; V640-F643 HydrophobicContact CG1-CB 4.04Å; V640-D647 HydrophobicContact CG1-CB 3.82Å; V640-M654 HydrophobicContact CG2-CE 4.19Å
641Y65.3Low65.7Low165 Ų16567.5 Ų67.565%0.64734%0.342SS*.SBendtrans-87.4147-179.8-62.3-89.1000111.4E639 F643E639-Y641 HydrophobicContact CB-CE2 4.01Å; E639-Y641 HydrophobicContact CG-CD1 4.46Å; E639-Y641 HydrophobicContact CG-CD2 4.34Å; E639-Y641 HydrophobicContact CG-CE1 4.11Å; E639-Y641 HydrophobicContact CG-CE2 3.95Å; E639-Y641 PolarHBondContact OE2-OH 2.84Å; E639-Y641 VanDerWaalsContact OE2-OH 3.09Å; Y641-F643 VanDerWaalsContact C-N 3.3Å; Y641-F643 PolarHBondContact O-N 3.31Å
642N62.7Low67.6Low138 Ų13864 Ų6474%0.73833%0.326SS*.SBendtrans50.450.1-178.9-55.3-44.1000112.1K487K487-N642 PolarHBondContact NZ-O 2.85Å; K487-N642 VanDerWaalsContact NZ-O 3.09Å
643F70Confident70Confident32 Ų3260.6 Ų60.614%0.1431%0.305CS..  trans-71151.5-171.662.6-96.8000112.8P623 L625 V640 Y641 D647 L656 F715P623-F643 HydrophobicContact CB-CE1 4.49Å; P623-F643 HydrophobicContact CB-CZ 4.08Å; P623-F643 HydrophobicContact CG-CE1 4.44Å; P623-F643 HydrophobicContact CG-CZ 3.98Å; L625-F643 HydrophobicContact CB-CB 3.93Å; L625-F643 HydrophobicContact CB-CD1 3.43Å; L625-F643 VanDerWaalsContact CB-CD1 3.43Å; L625-F643 HydrophobicContact CB-CD2 4.26Å; L625-F643 HydrophobicContact CB-CE1 3.98Å; L625-F643 HydrophobicContact CB-CG 3.6Å; L625-F643 HydrophobicContact CD2-CB 3.47Å; L625-F643 VanDerWaalsContact CD2-CB 3.47Å; L625-F643 HydrophobicContact CD2-CD1 4.5Å; L625-F643 HydrophobicContact CD2-CD2 4.15Å; L625-F643 HydrophobicContact CD2-CG 3.81Å; L625-F643 HydrophobicContact CG-CB 4.35Å; L625-F643 HydrophobicContact CG-CG 4.33Å; V640-F643 HydrophobicContact CG1-CB 4.04Å; Y641-F643 VanDerWaalsContact C-N 3.3Å; Y641-F643 PolarHBondContact O-N 3.31Å; F643-D647 WeakPolarHBondContact CA-OD2 3.47Å; F643-L656 HydrophobicContact CE1-CD1 4.17Å; F643-L656 HydrophobicContact CE2-CD1 4.07Å; F643-L656 HydrophobicContact CZ-CD1 3.65Å; F643-F715 AromaticContact CD2-CD1 3.74Å; F643-F715 HydrophobicContact CD2-CD1 3.74Å; F643-F715 AromaticContact CD2-CE1 3.57Å; F643-F715 HydrophobicContact CD2-CE1 3.57Å; F643-F715 HydrophobicContact CD2-CZ 4.25Å; F643-F715 HydrophobicContact CE2-CD1 4.03Å; F643-F715 AromaticContact CE2-CE1 3.94Å; F643-F715 HydrophobicContact CE2-CE1 3.94Å; F643-F715 HydrophobicContact CE2-CG 4.45Å; F643-F715 HydrophobicContact CE2-CZ 4.24Å
644D74.1Confident72.4Confident10 Ų1057.3 Ų57.35%0.05327%0.271CS..  trans-139.4-179.416766.555.6000110.1K487 S646 D647K487-D644 WeakPolarHBondContact CD-OD2 3.23Å; K487-D644 WeakPolarHBondContact CE-OD2 3.28Å; K487-D644 VanDerWaalsContact NZ-CG 3.31Å; K487-D644 IonicContact NZ-OD1 2.66Å; K487-D644 IonicContact NZ-OD2 3.66Å; K487-D644 PolarHBondContact NZ-OD2 2.8Å; D644-S646 PolarHBondContact O-N 3.36Å; D644-S646 VanDerWaalsContact O-N 3.11Å; D644-S646 WeakPolarHBondContact OD1-CA 3.28Å; D644-S646 VanDerWaalsContact OD1-CB 3.22Å; D644-S646 WeakPolarHBondContact OD1-CB 3.26Å; D644-S646 PolarHBondContact OD1-N 3.11Å; D644-S646 PolarHBondContact OD1-OG 2.68Å; D644-D647 PolarHBondContact N-OD2 3.3Å; D644-D647 PolarHBondContact O-N 3.48Å; D644-D647 VanDerWaalsContact O-N 3.1Å
645Q82.9Confident74.6Confident1 Ų151.2 Ų51.21%0.00525%0.248CC..G310 helixtrans-60.5-22.7-175.7-170.6-174.816.300113.3D647 L648 W718 D719 K722 W723Q645-D647 VanDerWaalsContact C-N 3.29Å; Q645-D647 PolarHBondContact O-N 3.11Å; Q645-L648 HydrophobicContact CG-CD1 4.36Å; Q645-L648 PolarHBondContact O-N 3.02Å; Q645-W718 HydrophobicContact CB-CD2 4.45Å; Q645-W718 HydrophobicContact CB-CE3 3.72Å; Q645-W718 HydrophobicContact CB-CZ3 3.87Å; Q645-W718 HydrophobicContact CG-CD2 4Å; Q645-W718 HydrophobicContact CG-CE3 3.53Å; Q645-W718 HydrophobicContact CG-CH2 3.8Å; Q645-W718 HydrophobicContact CG-CZ2 4.17Å; Q645-W718 HydrophobicContact CG-CZ3 3.46Å; Q645-W718 VanDerWaalsContact CG-CZ3 3.46Å; Q645-D719 PolarHBondContact NE2-O 3.32Å; Q645-D719 PolarHBondContact OE1-O 2.96Å; Q645-K722 HydrophobicContact CB-CD 4.44Å; Q645-K722 VanDerWaalsContact CD-CD 3.47Å; Q645-K722 HydrophobicContact CG-CD 3.55Å; Q645-K722 WeakPolarHBondContact O-CE 3.25Å; Q645-W723 HydrophobicContact CG-CH2 4.35Å; Q645-W723 HydrophobicContact CG-CZ2 4.28Å
646S76.2Confident76.1Confident55 Ų5548.8 Ų48.839%0.38524%0.237SC..G310 helixtrans-73.7-16.5177.6720000114.9D644 L648 K722D644-S646 PolarHBondContact O-N 3.36Å; D644-S646 VanDerWaalsContact O-N 3.11Å; D644-S646 WeakPolarHBondContact OD1-CA 3.28Å; D644-S646 VanDerWaalsContact OD1-CB 3.22Å; D644-S646 WeakPolarHBondContact OD1-CB 3.26Å; D644-S646 PolarHBondContact OD1-N 3.11Å; D644-S646 PolarHBondContact OD1-OG 2.68Å; S646-L648 VanDerWaalsContact C-N 3.26Å; S646-K722 VanDerWaalsContact CA-NZ 3.31Å
647D77.5Confident77.5Confident40 Ų4042.4 Ų42.421%0.21421%0.213CC..G310 helixtrans-84.6-2.2173.8-45.7-62.3000112.7K487 L625 V640 F643 D644 Q645 D649 M654K487-D647 VanDerWaalsContact CE-OD1 3.27Å; K487-D647 WeakPolarHBondContact CE-OD1 2.93Å; K487-D647 VanDerWaalsContact NZ-CG 3.26Å; K487-D647 IonicContact NZ-OD1 3.94Å; K487-D647 PolarHBondContact NZ-OD1 2.63Å; K487-D647 VanDerWaalsContact NZ-OD1 3.11Å; K487-D647 IonicContact NZ-OD2 3.44Å; K487-D647 PolarHBondContact NZ-OD2 3.11Å; L625-D647 HydrophobicContact CD2-CB 4.33Å; V640-D647 HydrophobicContact CG1-CB 3.82Å; F643-D647 WeakPolarHBondContact CA-OD2 3.47Å; D644-D647 PolarHBondContact N-OD2 3.3Å; D644-D647 PolarHBondContact O-N 3.48Å; D644-D647 VanDerWaalsContact O-N 3.1Å; Q645-D647 VanDerWaalsContact C-N 3.29Å; Q645-D647 PolarHBondContact O-N 3.11Å; D647-D649 PolarHBondContact O-N 2.94Å; D647-D649 VanDerWaalsContact O-N 3.13Å; D647-M654 WeakPolarHBondContact O-CE 3.41Å
648L84.1Confident78Confident5 Ų539.5 Ų39.53%0.02620%0.199CC..  trans-77.894.5171.5-62.2179000109.2L625 Q645 S646 E650 M654 W665 F711 F715 W718 W723L625-L648 HydrophobicContact CD1-CD2 4.43Å; L625-L648 HydrophobicContact CD2-CD2 4.43Å; Q645-L648 HydrophobicContact CG-CD1 4.36Å; Q645-L648 PolarHBondContact O-N 3.02Å; S646-L648 VanDerWaalsContact C-N 3.26Å; L648-E650 PolarHBondContact O-N 2.98Å; L648-M654 HydrophobicContact CD2-CB 3.93Å; L648-M654 HydrophobicContact CD2-CG 3.79Å; L648-W665 HydrophobicContact CB-CD2 4.39Å; L648-W665 HydrophobicContact CB-CE3 4.23Å; L648-W665 HydrophobicContact CB-CH2 3.78Å; L648-W665 HydrophobicContact CB-CZ2 3.94Å; L648-W665 HydrophobicContact CB-CZ3 3.93Å; L648-W665 HydrophobicContact CD1-CD2 4.33Å; L648-W665 HydrophobicContact CD1-CZ2 4.26Å; L648-W665 HydrophobicContact CD2-CD2 4.12Å; L648-W665 HydrophobicContact CD2-CE3 4.21Å; L648-W665 HydrophobicContact CD2-CG 4.33Å; L648-F711 HydrophobicContact CD1-CE1 4.05Å; L648-F711 HydrophobicContact CD1-CZ 4.32Å; L648-F711 HydrophobicContact CD2-CZ 4.24Å; L648-F715 HydrophobicContact CD1-CE1 4.14Å; L648-F715 HydrophobicContact CD1-CZ 4.13Å; L648-F715 HydrophobicContact CD2-CE1 4.07Å; L648-F715 HydrophobicContact CD2-CZ 3.97Å; L648-F715 HydrophobicContact CG-CE1 4.1Å; L648-F715 HydrophobicContact CG-CZ 4.32Å; L648-W718 HydrophobicContact CD1-CH2 3.45Å; L648-W718 VanDerWaalsContact CD1-CH2 3.45Å; L648-W718 HydrophobicContact CD1-CZ3 3.65Å; L648-W723 HydrophobicContact CB-CZ2 4.49Å; L648-W723 HydrophobicContact CD1-CH2 4.3Å; L648-W723 HydrophobicContact CD1-CZ2 4.16Å
649D80.7Confident78.5Confident55 Ų5540 Ų4029%0.29420%0.195SC..  trans-74.2118.5-179.2-165.8-30.2000111.1D647 E651 D652 W665D647-D649 PolarHBondContact O-N 2.94Å; D647-D649 VanDerWaalsContact O-N 3.13Å; D649-E651 PolarHBondContact O-N 2.91Å; D649-E651 VanDerWaalsContact O-N 3.11Å; D649-E651 WeakPolarHBondContact OD1-CB 3.41Å; D649-E651 PolarHBondContact OD1-N 2.88Å; D649-D652 HydrophobicContact CB-CB 4.26Å; D649-D652 PolarHBondContact O-N 2.82Å; D649-D652 VanDerWaalsContact O-N 3.11Å; D649-W665 VanDerWaalsContact O-CZ3 3.3Å; D649-W665 WeakPolarHBondContact O-CZ3 3.47Å
650E86.9Confident78.2Confident69 Ų6942.3 Ų42.332%0.32221%0.205SC..THydrogen-bonded Turntrans-61.7-19180-54.3-172.1-140.100113.1L648 G667 K668 F669 A670 Q704L648-E650 PolarHBondContact O-N 2.98Å; E650-G667 CarbonylContact O-C 3.56Å; E650-G667 VanDerWaalsContact O-CA 3.31Å; E650-G667 WeakPolarHBondContact O-CA 3.49Å; E650-K668 PolarHBondContact O-N 2.86Å; E650-K668 VanDerWaalsContact O-N 3.08Å; E650-F669 HydrophobicContact CB-CD2 3.91Å; E650-F669 HydrophobicContact CB-CE2 4.31Å; E650-F669 WeakPolarHBondContact O-CA 3.49Å; E650-F669 WeakPolarHBondContact O-CB 3.37Å; E650-F669 PolarHBondContact O-N 2.93Å; E650-A670 PolarHBondContact O-N 2.72Å; E650-Q704 PolarHBondContact OE2-NE2 3.1Å
651E80.4Confident79.1Confident108 Ų10842.1 Ų42.151%0.50520%0.202SC..THydrogen-bonded Turntrans-91.8-6.9178.7-62.6-173.3-172.200114.1Q631 D649 F669 A670Q631-E651 VanDerWaalsContact NE2-CB 3.33Å; D649-E651 PolarHBondContact O-N 2.91Å; D649-E651 VanDerWaalsContact O-N 3.11Å; D649-E651 WeakPolarHBondContact OD1-CB 3.41Å; D649-E651 PolarHBondContact OD1-N 2.88Å; E651-F669 HydrophobicContact CG-CB 4.17Å; E651-A670 WeakPolarHBondContact O-CA 3.47Å
652D85.4Confident80Confident1 Ų134.2 Ų34.21%0.00517%0.172CC..SBendtrans-130.1174.7-175-70.3-38.9000113.4E627 S629 Q631 D649 G667E627-D652 HydrophobicContact CG-CB 4.48Å; S629-D652 WeakPolarHBondContact CA-OD1 3.46Å; S629-D652 WeakPolarHBondContact CB-OD1 3.32Å; S629-D652 WeakPolarHBondContact CB-OD2 3.36Å; S629-D652 PolarHBondContact OG-OD1 3.37Å; S629-D652 PolarHBondContact OG-OD2 3.34Å; S629-D652 VanDerWaalsContact OG-OD2 3.06Å; Q631-D652 PolarHBondContact NE2-OD1 2.78Å; Q631-D652 PolarHBondContact NE2-OD2 3.46Å; Q631-D652 VanDerWaalsContact NE2-OD2 3.1Å; D649-D652 HydrophobicContact CB-CB 4.26Å; D649-D652 PolarHBondContact O-N 2.82Å; D649-D652 VanDerWaalsContact O-N 3.11Å; D652-G667 WeakPolarHBondContact O-CA 3.17Å; D652-G667 PolarHBondContact O-N 3.23Å
653V89.9Confident81.2Confident0 Ų027.7 Ų27.70%014%0.136CC..EExtended strand (participates in β ladder)trans-99.4133.2170.3179.50000109.2C628 L664 W665 V666 A670 E674 S678C628-V653 VanDerWaalsContact CA-O 3.29Å; C628-V653 WeakPolarHBondContact CA-O 3.38Å; C628-V653 HydrophobicContact CB-CB 4.22Å; C628-V653 WeakPolarHBondContact CB-O 3.47Å; C628-V653 PolarHBondContact N-O 2.99Å; C628-V653 PolarHBondContact O-N 3.42Å; V653-L664 HydrophobicContact CG1-CB 4.38Å; V653-L664 HydrophobicContact CG1-CD2 4.43Å; V653-W665 CarbonylContact C-O 3.54Å; V653-W665 WeakPolarHBondContact CA-O 3.45Å; V653-V666 HydrophobicContact CG1-CG2 4.48Å; V653-V666 HydrophobicContact CG2-CG1 4.37Å; V653-V666 HydrophobicContact CG2-CG2 4.46Å; V653-A670 HydrophobicContact CG2-CB 3.93Å; V653-E674 HydrophobicContact CG2-CB 3.94Å; V653-S678 WeakPolarHBondContact CB-OG 3.35Å; V653-S678 WeakPolarHBondContact CG1-OG 3.45Å
654M91.7Very high82.3Confident1 Ų126.1 Ų26.11%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-109.9130.4178.1-49.3-61.4-64.900110.1L625 F626 E627 V640 D647 L648 L664 W665L625-M654 HydrophobicContact CD1-CB 4.05Å; L625-M654 HydrophobicContact CD1-CE 4.48Å; L625-M654 HydrophobicContact CD2-CE 3.96Å; L625-M654 HydrophobicContact CG-CE 4.09Å; F626-M654 CarbonylContact O-C 3.53Å; F626-M654 WeakPolarHBondContact O-CA 3.42Å; E627-M654 HydrophobicContact CB-CE 3.81Å; E627-M654 HydrophobicContact CB-SD 4.02Å; E627-M654 HydrophobicContact CG-CE 4.41Å; E627-M654 HydrophobicContact CG-SD 4.06Å; V640-M654 HydrophobicContact CG2-CE 4.19Å; D647-M654 WeakPolarHBondContact O-CE 3.41Å; L648-M654 HydrophobicContact CD2-CB 3.93Å; L648-M654 HydrophobicContact CD2-CG 3.79Å; M654-L664 CarbonylContact O-C 3.55Å; M654-L664 WeakPolarHBondContact O-CA 3.47Å; M654-W665 HydrophobicContact CB-CB 4.24Å; M654-W665 HydrophobicContact CB-CE3 4.15Å; M654-W665 HydrophobicContact CG-CE3 3.65Å; M654-W665 HydrophobicContact CG-CZ3 4.11Å; M654-W665 PolarHBondContact N-O 3.45Å; M654-W665 PolarHBondContact O-N 2.86Å
655L91.7Very high83.4Confident3 Ų325.7 Ų25.72%0.01613%0.127CC..EExtended strand (participates in β ladder)trans-102.5113.9176.7-173163000109.2L625 F626 D657 I662 F663 L664 A682L625-L655 CarbonylContact C-O 3.46Å; L625-L655 WeakPolarHBondContact CA-O 3.43Å; F626-L655 HydrophobicContact CB-CB 4.27Å; F626-L655 HydrophobicContact CD2-CD2 3.76Å; F626-L655 HydrophobicContact CE2-CD2 4.27Å; F626-L655 PolarHBondContact N-O 3.31Å; F626-L655 PolarHBondContact O-N 3.1Å; L655-D657 HydrophobicContact CD2-CB 4.18Å; L655-I662 HydrophobicContact CD1-CG2 4.15Å; L655-I662 HydrophobicContact CD2-CG2 3.67Å; L655-I662 HydrophobicContact CG-CG2 3.58Å; L655-F663 CarbonylContact C-O 3.52Å; L655-F663 VanDerWaalsContact CA-O 3.31Å; L655-F663 WeakPolarHBondContact CA-O 3.14Å; L655-L664 HydrophobicContact CB-CD2 3.84Å; L655-L664 HydrophobicContact CD1-CD2 3.96Å; L655-L664 HydrophobicContact CG-CD2 3.78Å; L655-A682 HydrophobicContact CD1-CB 3.79Å
656L85.5Confident83.9Confident0 Ų026.8 Ų26.80%013%0.134CC..EExtended strand (participates in β ladder)trans-105.2108.5173.5177.769000109.5P623 R624 L625 F643 T658 I662 F663 F711 W714 F715P623-L656 HydrophobicContact CB-CD1 4.13Å; R624-L656 CarbonylContact O-C 3.51Å; R624-L656 WeakPolarHBondContact O-CA 3.16Å; L625-L656 HydrophobicContact CB-CD1 4.35Å; L625-L656 HydrophobicContact CD1-CB 3.94Å; L625-L656 HydrophobicContact CD1-CD1 4.22Å; F643-L656 HydrophobicContact CE1-CD1 4.17Å; F643-L656 HydrophobicContact CE2-CD1 4.07Å; F643-L656 HydrophobicContact CZ-CD1 3.65Å; L656-T658 HydrophobicContact CD2-CG2 4.17Å; L656-T658 HydrophobicContact CG-CG2 3.99Å; L656-I662 WeakPolarHBondContact O-CA 3.45Å; L656-F663 HydrophobicContact CB-CB 4.22Å; L656-F663 HydrophobicContact CD2-CD2 4.19Å; L656-F663 PolarHBondContact N-O 3.08Å; L656-F663 PolarHBondContact O-N 3.2Å; L656-F711 HydrophobicContact CB-CE2 4.01Å; L656-F711 HydrophobicContact CD2-CD2 3.75Å; L656-F711 HydrophobicContact CD2-CE2 3.67Å; L656-F711 HydrophobicContact CD2-CZ 4.46Å; L656-W714 HydrophobicContact CD2-CB 4.04Å; L656-W714 HydrophobicContact CD2-CG 4.18Å; L656-F715 HydrophobicContact CD2-CE2 4.02Å; L656-F715 HydrophobicContact CD2-CZ 4.37Å
657D82.7Confident84.4Confident6 Ų624.4 Ų24.43%0.03212%0.118CC..EExtended strand (participates in β ladder)trans-89.1118.3173.9179.519.9000110.2P623 R624 F626 L655 W659 Y685 R693P623-D657 CarbonylContact C-O 3.47Å; P623-D657 WeakPolarHBondContact CA-O 3.44Å; R624-D657 PolarHBondContact N-O 3.31Å; R624-D657 PolarHBondContact O-N 2.89Å; F626-D657 HydrophobicContact CE2-CB 4.45Å; L655-D657 HydrophobicContact CD2-CB 4.18Å; D657-W659 PolarHBondContact OD1-N 2.8Å; D657-Y685 HydrophobicContact CB-CE1 4.11Å; D657-Y685 WeakPolarHBondContact OD2-CE1 3.27Å; D657-Y685 VanDerWaalsContact OD2-CZ 3.27Å; D657-Y685 PolarHBondContact OD2-OH 3.33Å; D657-R693 IonicContact OD1-CZ 3.61Å; D657-R693 IonicContact OD1-NH1 2.94Å; D657-R693 PolarHBondContact OD1-NH1 3Å; D657-R693 IonicContact OD2-NH1 3.31Å
658T75.5Confident85Confident9 Ų929.7 Ų29.76%0.05514%0.139CC..  trans-110.516.7179.166.20000112.4P623 L656 E660 E661 F663 W714P623-T658 HydrophobicContact CB-CG2 4.46Å; L656-T658 HydrophobicContact CD2-CG2 4.17Å; L656-T658 HydrophobicContact CG-CG2 3.99Å; T658-E660 PolarHBondContact O-N 2.87Å; T658-E661 PolarHBondContact N-O 3.3Å; T658-E661 WeakPolarHBondContact OG1-CG 3.27Å; T658-E661 PolarHBondContact OG1-O 3.42Å; T658-F663 HydrophobicContact CG2-CD2 4.04Å; T658-F663 HydrophobicContact CG2-CE2 3.96Å; T658-W714 HydrophobicContact CG2-CD2 4.25Å; T658-W714 HydrophobicContact CG2-CG 4.31Å; T658-W714 HydrophobicContact CG2-CZ2 4.18Å
659W71.9Confident85Confident69 Ų6935.6 Ų35.626%0.26117%0.165SC..SBendtrans68.2-39-175.7-170.6-93.4000117.8H621 D657 H689 A691 R693H621-W659 HydrophobicContact CB-CB 3.6Å; H621-W659 HydrophobicContact CB-CD2 3.95Å; H621-W659 HydrophobicContact CB-CE3 3.98Å; H621-W659 HydrophobicContact CB-CG 3.78Å; H621-W659 AromaticContact CD2-CD1 3.32Å; H621-W659 AromaticContact CD2-CD2 3.17Å; H621-W659 AromaticContact CD2-CE2 3.22Å; H621-W659 AromaticContact CD2-CE3 3.8Å; H621-W659 AromaticContact CD2-CG 3.22Å; H621-W659 AromaticContact CD2-CZ2 3.8Å; H621-W659 AromaticContact CD2-NE1 3.33Å; H621-W659 PolarHBondContact CD2-NE1 2.89Å; H621-W659 VanDerWaalsContact CD2-NE1 3.33Å; H621-W659 AromaticContact CE1-CD2 3.95Å; H621-W659 AromaticContact CE1-CE2 3.74Å; H621-W659 AromaticContact CE1-CE3 3.98Å; H621-W659 AromaticContact CE1-CH2 3.35Å; H621-W659 WeakPolarHBondContact CE1-CH2 3.48Å; H621-W659 AromaticContact CE1-CZ2 3.48Å; H621-W659 VanDerWaalsContact CE1-CZ2 3.48Å; H621-W659 WeakPolarHBondContact CE1-CZ2 3.37Å; H621-W659 AromaticContact CE1-CZ3 3.66Å; H621-W659 AromaticContact CG-CD2 3.32Å; H621-W659 AromaticContact CG-CE2 3.81Å; H621-W659 AromaticContact CG-CE3 3.47Å; H621-W659 VanDerWaalsContact CG-CE3 3.47Å; H621-W659 AromaticContact CG-CG 3.52Å; H621-W659 AromaticContact CG-CZ3 3.9Å; H621-W659 AromaticContact ND1-CD2 3.81Å; H621-W659 AromaticContact ND1-CE3 3.6Å; H621-W659 AromaticContact ND1-CH2 3.74Å; H621-W659 AromaticContact ND1-CZ3 3.52Å; H621-W659 AromaticContact NE2-CD1 4Å; H621-W659 AromaticContact NE2-CD2 3.61Å; H621-W659 AromaticContact NE2-CE2 3.17Å; H621-W659 AromaticContact NE2-CH2 3.64Å; H621-W659 AromaticContact NE2-CZ2 3.24Å; H621-W659 WeakPolarHBondContact NE2-CZ2 3.37Å; H621-W659 AromaticContact NE2-NE1 3.5Å; H621-W659 PolarHBondContact NE2-NE1 3.18Å; D657-W659 PolarHBondContact OD1-N 2.8Å; W659-H689 AromaticContact CH2-CE1 3.95Å; W659-H689 AromaticContact CZ3-CE1 3.36Å; W659-H689 WeakPolarHBondContact CZ3-CE1 3.37Å; W659-A691 HydrophobicContact CH2-CB 3.29Å; W659-A691 HydrophobicContact CZ2-CB 4.13Å; W659-A691 HydrophobicContact CZ3-CB 4.09Å; W659-R693 VanDerWaalsContact C-CZ 3.4Å; W659-R693 PolarHBondContact O-NE 3.41Å; W659-R693 PolarHBondContact O-NH1 3.02Å; W659-R693 PolarHBondContact O-NH2 3.08Å
660E65.8Low85.1Confident92 Ų9233.9 Ų33.943%0.4316%0.159SC..SBendtrans-86.4-34174.9-68.8-177.7-174.500110.1R613 R616 T658R613-E660 WeakPolarHBondContact CD-OE2 3.49Å; R616-E660 IonicContact NH1-OE1 3.63Å; R616-E660 IonicContact NH2-OE1 3.62Å; T658-E660 PolarHBondContact O-N 2.87Å
661E80.1Confident84.8Confident25 Ų2533.1 Ų33.112%0.11716%0.157CC..  trans-143.8159.5-178.765.7-167.4169.800111.6R613 T658 F663 P698 I700R613-E661 IonicContact CZ-OE1 2.79Å; R613-E661 IonicContact NH1-OE1 3.9Å; R613-E661 PolarHBondContact NH1-OE1 3.14Å; R613-E661 IonicContact NH2-OE1 3.46Å; R613-E661 PolarHBondContact NH2-OE1 3.26Å; T658-E661 PolarHBondContact N-O 3.3Å; T658-E661 WeakPolarHBondContact OG1-CG 3.27Å; T658-E661 PolarHBondContact OG1-O 3.42Å; E661-F663 HydrophobicContact CG-CD2 4.39Å; E661-F663 HydrophobicContact CG-CE2 3.76Å; E661-F663 HydrophobicContact CG-CZ 4Å; E661-F663 WeakPolarHBondContact OE1-CE2 3.36Å; E661-F663 WeakPolarHBondContact OE1-CZ 3.34Å; E661-P698 WeakPolarHBondContact CA-O 3.47Å; E661-P698 HydrophobicContact CB-CG 3.73Å; E661-P698 WeakPolarHBondContact CB-O 3.37Å; E661-I700 HydrophobicContact CG-CD1 4.47Å; E661-I700 WeakPolarHBondContact OE2-CD1 3.3Å
662I83.6Confident84.9Confident0 Ų035.1 Ų35.10%017%0.166CC..EExtended strand (participates in β ladder)trans-113.1126.2173.6-64.5-179.6000108.3L655 L656 L664 A682 Y685 L686 P698 I699 I700L655-I662 HydrophobicContact CD1-CG2 4.15Å; L655-I662 HydrophobicContact CD2-CG2 3.67Å; L655-I662 HydrophobicContact CG-CG2 3.58Å; L656-I662 WeakPolarHBondContact O-CA 3.45Å; I662-L664 HydrophobicContact CG2-CD2 4.5Å; I662-A682 HydrophobicContact CD1-CB 4.42Å; I662-A682 HydrophobicContact CG2-CB 4.17Å; I662-Y685 HydrophobicContact CD1-CD1 3.65Å; I662-Y685 HydrophobicContact CD1-CE1 4.13Å; I662-L686 HydrophobicContact CD1-CD1 4.04Å; I662-L686 HydrophobicContact CD1-CD2 3.54Å; I662-L686 HydrophobicContact CD1-CG 3.52Å; I662-L686 HydrophobicContact CG1-CD2 4.13Å; I662-L686 HydrophobicContact CG1-CG 4.48Å; I662-P698 PolarHBondContact N-O 3.32Å; I662-I699 HydrophobicContact CB-CG1 4.36Å; I662-I699 HydrophobicContact CG2-CG2 4.41Å; I662-I699 CarbonylContact O-C 3.5Å; I662-I699 VanDerWaalsContact O-CA 3.26Å; I662-I699 WeakPolarHBondContact O-CA 3.3Å; I662-I700 PolarHBondContact O-N 2.88Å
663F89.4Confident84.4Confident0 Ų039 Ų390%019%0.189CC..EExtended strand (participates in β ladder)trans-94.3135168.2-61.4-86.2000110.2L655 L656 T658 E661 I700 V702 F711L655-F663 CarbonylContact C-O 3.52Å; L655-F663 VanDerWaalsContact CA-O 3.31Å; L655-F663 WeakPolarHBondContact CA-O 3.14Å; L656-F663 HydrophobicContact CB-CB 4.22Å; L656-F663 HydrophobicContact CD2-CD2 4.19Å; L656-F663 PolarHBondContact N-O 3.08Å; L656-F663 PolarHBondContact O-N 3.2Å; T658-F663 HydrophobicContact CG2-CD2 4.04Å; T658-F663 HydrophobicContact CG2-CE2 3.96Å; E661-F663 HydrophobicContact CG-CD2 4.39Å; E661-F663 HydrophobicContact CG-CE2 3.76Å; E661-F663 HydrophobicContact CG-CZ 4Å; E661-F663 WeakPolarHBondContact OE1-CE2 3.36Å; E661-F663 WeakPolarHBondContact OE1-CZ 3.34Å; F663-I700 CarbonylContact C-O 3.23Å; F663-I700 VanDerWaalsContact CA-O 3.31Å; F663-I700 WeakPolarHBondContact CA-O 3.33Å; F663-I700 HydrophobicContact CD1-CB 3.79Å; F663-I700 HydrophobicContact CD1-CD1 4.4Å; F663-I700 HydrophobicContact CD1-CG2 3.93Å; F663-I700 HydrophobicContact CE1-CB 4.1Å; F663-I700 HydrophobicContact CE1-CD1 3.89Å; F663-I700 HydrophobicContact CE1-CG2 4.07Å; F663-I700 HydrophobicContact CZ-CD1 4.43Å; F663-V702 HydrophobicContact CB-CG2 4.32Å; F663-V702 HydrophobicContact CD1-CG2 3.62Å; F663-V702 HydrophobicContact CE1-CG2 4.39Å; F663-V702 HydrophobicContact CG-CG2 4.39Å; F663-F711 HydrophobicContact CB-CD2 3.63Å; F663-F711 HydrophobicContact CB-CE2 3.85Å; F663-F711 HydrophobicContact CD1-CB 4.4Å; F663-F711 HydrophobicContact CD1-CD2 4.04Å; F663-F711 HydrophobicContact CD2-CD2 4.04Å; F663-F711 HydrophobicContact CE1-CB 4.34Å; F663-F711 AromaticContact CG-CD2 3.65Å; F663-F711 HydrophobicContact CG-CD2 3.65Å; F663-F711 HydrophobicContact CG-CE2 4.36Å
664L93Very high83.7Confident0 Ų039 Ų390%019%0.189CC..EExtended strand (participates in β ladder)trans-10796.3165.1-66179.8000107.8V653 M654 L655 I662 W679 A682 I699 I700 F701 V702V653-L664 HydrophobicContact CG1-CB 4.38Å; V653-L664 HydrophobicContact CG1-CD2 4.43Å; M654-L664 CarbonylContact O-C 3.55Å; M654-L664 WeakPolarHBondContact O-CA 3.47Å; L655-L664 HydrophobicContact CB-CD2 3.84Å; L655-L664 HydrophobicContact CD1-CD2 3.96Å; L655-L664 HydrophobicContact CG-CD2 3.78Å; I662-L664 HydrophobicContact CG2-CD2 4.5Å; L664-W679 HydrophobicContact CD1-CB 4.22Å; L664-W679 HydrophobicContact CD1-CE3 3.91Å; L664-A682 HydrophobicContact CD1-CB 4.41Å; L664-A682 HydrophobicContact CD2-CB 4.25Å; L664-I699 HydrophobicContact CD1-CG2 3.69Å; L664-I699 HydrophobicContact CG-CG2 3.84Å; L664-I700 PolarHBondContact N-O 3.2Å; L664-F701 HydrophobicContact CB-CD1 3.95Å; L664-F701 HydrophobicContact CB-CE1 4.12Å; L664-F701 HydrophobicContact CD1-CD1 4.39Å; L664-F701 HydrophobicContact CD1-CE1 3.8Å; L664-F701 HydrophobicContact CD1-CZ 3.94Å; L664-F701 WeakPolarHBondContact O-CA 3.47Å; L664-V702 PolarHBondContact O-N 3.26Å
665W96.1Very high83.1Confident0 Ų040.7 Ų40.70%020%0.2CC..EExtended strand (participates in β ladder)trans-79.2121.5173.2-177.196.5000109.2L648 D649 V653 M654 G667 V702 Q704 E707 F711 W723L648-W665 HydrophobicContact CB-CD2 4.39Å; L648-W665 HydrophobicContact CB-CE3 4.23Å; L648-W665 HydrophobicContact CB-CH2 3.78Å; L648-W665 HydrophobicContact CB-CZ2 3.94Å; L648-W665 HydrophobicContact CB-CZ3 3.93Å; L648-W665 HydrophobicContact CD1-CD2 4.33Å; L648-W665 HydrophobicContact CD1-CZ2 4.26Å; L648-W665 HydrophobicContact CD2-CD2 4.12Å; L648-W665 HydrophobicContact CD2-CE3 4.21Å; L648-W665 HydrophobicContact CD2-CG 4.33Å; D649-W665 VanDerWaalsContact O-CZ3 3.3Å; D649-W665 WeakPolarHBondContact O-CZ3 3.47Å; V653-W665 CarbonylContact C-O 3.54Å; V653-W665 WeakPolarHBondContact CA-O 3.45Å; M654-W665 HydrophobicContact CB-CB 4.24Å; M654-W665 HydrophobicContact CB-CE3 4.15Å; M654-W665 HydrophobicContact CG-CE3 3.65Å; M654-W665 HydrophobicContact CG-CZ3 4.11Å; M654-W665 PolarHBondContact N-O 3.45Å; M654-W665 PolarHBondContact O-N 2.86Å; W665-G667 VanDerWaalsContact CZ3-CA 3.45Å; W665-V702 CarbonylContact C-O 3.56Å; W665-V702 VanDerWaalsContact CA-O 3.27Å; W665-V702 WeakPolarHBondContact CA-O 3.41Å; W665-V702 HydrophobicContact CB-CB 4.43Å; W665-Q704 HydrophobicContact CH2-CB 4Å; W665-Q704 HydrophobicContact CH2-CG 4.08Å; W665-Q704 HydrophobicContact CZ2-CB 3.5Å; W665-Q704 HydrophobicContact CZ2-CG 3.61Å; W665-E707 PolarHBondContact NE1-OE1 2.76Å; W665-F711 HydrophobicContact CB-CE2 3.94Å; W665-F711 HydrophobicContact CB-CZ 3.65Å; W665-F711 AromaticContact CD1-CE1 3.56Å; W665-F711 AromaticContact CD1-CZ 3.56Å; W665-F711 HydrophobicContact CG-CE1 4.22Å; W665-F711 HydrophobicContact CG-CE2 4.49Å; W665-F711 AromaticContact CG-CZ 3.78Å; W665-F711 HydrophobicContact CG-CZ 3.78Å; W665-W723 HydrophobicContact CH2-CZ2 4.43Å; W665-W723 HydrophobicContact CZ2-CH2 4.11Å; W665-W723 AromaticContact CZ2-CZ2 3.61Å; W665-W723 HydrophobicContact CZ2-CZ2 3.61Å
666V92.8Very high82.5Confident25 Ų2547 Ų4715%0.15223%0.228CC..EExtended strand (participates in β ladder)trans-105.3113-174.7-176.80000108.4V653 A670 T675 F701 V702 Q704V653-V666 HydrophobicContact CG1-CG2 4.48Å; V653-V666 HydrophobicContact CG2-CG1 4.37Å; V653-V666 HydrophobicContact CG2-CG2 4.46Å; V666-A670 HydrophobicContact CG1-CB 4.01Å; V666-T675 HydrophobicContact CG2-CG2 4.4Å; V666-F701 HydrophobicContact CG2-CD1 3.89Å; V666-F701 HydrophobicContact CG2-CE1 4.43Å; V666-V702 PolarHBondContact N-O 3.47Å; V666-Q704 PolarHBondContact O-N 2.86Å
667G88.1Confident82Confident4 Ų450.2 Ų50.24%0.04124%0.242CC..  trans-59150.8172.900000111.8E650 D652 W665 F669 A670E650-G667 CarbonylContact O-C 3.56Å; E650-G667 VanDerWaalsContact O-CA 3.31Å; E650-G667 WeakPolarHBondContact O-CA 3.49Å; D652-G667 WeakPolarHBondContact O-CA 3.17Å; D652-G667 PolarHBondContact O-N 3.23Å; W665-G667 VanDerWaalsContact CZ3-CA 3.45Å; G667-F669 PolarHBondContact O-N 2.9Å; G667-A670 VanDerWaalsContact O-CB 3.3Å; G667-A670 WeakPolarHBondContact O-CB 3.39Å; G667-A670 PolarHBondContact O-N 2.98Å
668K89.1Confident81.6Confident151 Ų15149.9 Ų49.966%0.65724%0.241SC*.THydrogen-bonded Turntrans-60.5-29-176.9-178.3176.1178.6-178.90113.2E650 Q704E650-K668 PolarHBondContact O-N 2.86Å; E650-K668 VanDerWaalsContact O-N 3.08Å; K668-Q704 HydrophobicContact CB-CB 4.48Å
669F83.9Confident81.9Confident129 Ų12953.8 Ų53.857%0.56625%0.254SS*.THydrogen-bonded Turntrans-109.85.3-179.3-50.9-67.3000112.9E650 E651 G667E650-F669 HydrophobicContact CB-CD2 3.91Å; E650-F669 HydrophobicContact CB-CE2 4.31Å; E650-F669 WeakPolarHBondContact O-CA 3.49Å; E650-F669 WeakPolarHBondContact O-CB 3.37Å; E650-F669 PolarHBondContact O-N 2.93Å; E651-F669 HydrophobicContact CG-CB 4.17Å; G667-F669 PolarHBondContact O-N 2.9Å
670A83.6Confident82.1Confident20 Ų2053.4 Ų53.417%0.16526%0.258CS..  trans-59138.9174.500000111.2E650 E651 V653 V666 G667E650-A670 PolarHBondContact O-N 2.72Å; E651-A670 WeakPolarHBondContact O-CA 3.47Å; V653-A670 HydrophobicContact CG2-CB 3.93Å; V666-A670 HydrophobicContact CG1-CB 4.01Å; G667-A670 VanDerWaalsContact O-CB 3.3Å; G667-A670 WeakPolarHBondContact O-CB 3.39Å; G667-A670 PolarHBondContact O-N 2.98Å
671N80.4Confident82.5Confident53 Ų5350.1 Ų50.128%0.28325%0.245SC..  trans-86.6158.9-17764.168.4000112.6N630 T673 E674 T675N630-N671 PolarHBondContact ND2-ND2 2.96Å; N630-N671 PolarHBondContact ND2-OD1 3.29Å; N630-N671 PolarHBondContact OD1-ND2 2.82Å; N671-T673 PolarHBondContact O-N 2.69Å; N671-T673 WeakPolarHBondContact OD1-CB 3.15Å; N671-T673 PolarHBondContact OD1-N 2.98Å; N671-E674 VanDerWaalsContact CG-CD 3.47Å; N671-E674 PolarHBondContact N-OE2 2.81Å; N671-E674 PolarHBondContact ND2-OE1 2.87Å; N671-E674 PolarHBondContact ND2-OE2 3.39Å; N671-E674 PolarHBondContact O-N 2.62Å; N671-E674 PolarHBondContact OD1-N 3.47Å; N671-T675 PolarHBondContact O-N 3.45Å; N671-T675 VanDerWaalsContact O-N 3.09Å; N671-T675 PolarHBondContact O-OG1 2.82Å
672E83Confident82.2Confident149 Ų14948.9 Ų48.970%0.69624%0.239SC*.Hα-helixtrans-61.3-32.7-177.7-67-17316700112.4T675 K676E672-T675 PolarHBondContact O-N 3.46Å; E672-K676 WeakPolarHBondContact O-CB 3.45Å; E672-K676 PolarHBondContact O-N 3.06Å
673T74.4Confident82Confident82 Ų8255.1 Ų55.150%0.50326%0.263SS..Hα-helixtrans-65.6-46.5177.6-53.60000110.9N671 T675 K676 E677N671-T673 PolarHBondContact O-N 2.69Å; N671-T673 WeakPolarHBondContact OD1-CB 3.15Å; N671-T673 PolarHBondContact OD1-N 2.98Å; T673-T675 VanDerWaalsContact C-N 3.33Å; T673-T675 PolarHBondContact O-N 3.47Å; T673-K676 PolarHBondContact O-N 3.27Å; T673-E677 HydrophobicContact CG2-CG 4.29Å; T673-E677 WeakPolarHBondContact O-CB 3.35Å; T673-E677 WeakPolarHBondContact O-CG 3.3Å; T673-E677 PolarHBondContact O-N 2.74Å
674E75.1Confident81.2Confident0 Ų060.1 Ų60.10%029%0.286CS..Hα-helixtrans-59.1-43.9173.6-80.5153.5-173.900111.8N630 F635 V653 N671 K676 E677 S678N630-E674 HydrophobicContact CB-CG 4.03Å; N630-E674 PolarHBondContact N-OE1 2.99Å; N630-E674 PolarHBondContact OD1-OE1 2.94Å; F635-E674 HydrophobicContact CD2-CG 4.22Å; F635-E674 HydrophobicContact CE2-CB 4.43Å; F635-E674 HydrophobicContact CE2-CG 4.42Å; V653-E674 HydrophobicContact CG2-CB 3.94Å; N671-E674 VanDerWaalsContact CG-CD 3.47Å; N671-E674 PolarHBondContact N-OE2 2.81Å; N671-E674 PolarHBondContact ND2-OE1 2.87Å; N671-E674 PolarHBondContact ND2-OE2 3.39Å; N671-E674 PolarHBondContact O-N 2.62Å; N671-E674 PolarHBondContact OD1-N 3.47Å; E674-K676 VanDerWaalsContact C-N 3.34Å; E674-K676 PolarHBondContact O-N 3.03Å; E674-E677 PolarHBondContact O-N 3.13Å; E674-S678 WeakPolarHBondContact O-CB 3.34Å; E674-S678 PolarHBondContact O-N 2.92Å; E674-S678 PolarHBondContact O-OG 3.09Å
675T80Confident80.1Confident37 Ų3761.2 Ų61.223%0.22729%0.29CS..Hα-helixtrans-60.4-45179.2-54.70000111.4V666 N671 E672 T673 W679 F701V666-T675 HydrophobicContact CG2-CG2 4.4Å; N671-T675 PolarHBondContact O-N 3.45Å; N671-T675 VanDerWaalsContact O-N 3.09Å; N671-T675 PolarHBondContact O-OG1 2.82Å; E672-T675 PolarHBondContact O-N 3.46Å; T673-T675 VanDerWaalsContact C-N 3.33Å; T673-T675 PolarHBondContact O-N 3.47Å; T675-W679 PolarHBondContact O-N 2.97Å; T675-F701 HydrophobicContact CG2-CE1 3.82Å
676K78.6Confident78.5Confident137 Ų13761.3 Ų61.360%0.59629%0.291SS*.Hα-helixtrans-68.2-47.4179.4-174.6-178.6178.2-175.80112.4E672 T673 E674 S678 W679 N680E672-K676 WeakPolarHBondContact O-CB 3.45Å; E672-K676 PolarHBondContact O-N 3.06Å; T673-K676 PolarHBondContact O-N 3.27Å; E674-K676 VanDerWaalsContact C-N 3.34Å; E674-K676 PolarHBondContact O-N 3.03Å; K676-S678 VanDerWaalsContact C-N 3.34Å; K676-W679 WeakPolarHBondContact O-CB 3.47Å; K676-W679 PolarHBondContact O-N 3.31Å; K676-N680 PolarHBondContact O-N 3.41Å; K676-N680 VanDerWaalsContact O-N 3.14Å; K676-N680 PolarHBondContact O-ND2 2.76Å
677E74Confident77.2Confident66 Ų6665.6 Ų65.631%0.30831%0.307SS..Hα-helixtrans-70.2-32.3-178.1-67.1-54.2131.800112.1F635 T673 E674 N680 S681F635-E677 HydrophobicContact CB-CB 4.2Å; F635-E677 HydrophobicContact CB-CG 4.31Å; F635-E677 HydrophobicContact CD1-CB 3.57Å; F635-E677 HydrophobicContact CD1-CG 4.43Å; F635-E677 HydrophobicContact CD2-CB 3.53Å; F635-E677 HydrophobicContact CD2-CG 4.37Å; F635-E677 HydrophobicContact CE1-CB 3.71Å; F635-E677 HydrophobicContact CE2-CB 3.66Å; F635-E677 HydrophobicContact CG-CB 3.47Å; F635-E677 VanDerWaalsContact CG-CB 3.47Å; F635-E677 HydrophobicContact CG-CG 4.12Å; F635-E677 VanDerWaalsContact CZ-C 3.45Å; F635-E677 HydrophobicContact CZ-CB 3.75Å; T673-E677 HydrophobicContact CG2-CG 4.29Å; T673-E677 WeakPolarHBondContact O-CB 3.35Å; T673-E677 WeakPolarHBondContact O-CG 3.3Å; T673-E677 PolarHBondContact O-N 2.74Å; E674-E677 PolarHBondContact O-N 3.13Å; E677-N680 PolarHBondContact O-N 3.21Å; E677-S681 WeakPolarHBondContact O-CB 3.34Å; E677-S681 PolarHBondContact O-N 3.41Å; E677-S681 PolarHBondContact O-OG 3.37Å
678S76Confident75.6Confident0 Ų071 Ų710%033%0.333CS..Hα-helixtrans-64.5-39.5173-57.90000112.2C628 F635 V653 E674 K676 S681 A682C628-S678 WeakPolarHBondContact CB-OG 3.41Å; F635-S678 WeakPolarHBondContact CE2-OG 3.47Å; F635-S678 VanDerWaalsContact CZ-N 3.28Å; F635-S678 WeakPolarHBondContact CZ-OG 3.42Å; V653-S678 WeakPolarHBondContact CB-OG 3.35Å; V653-S678 WeakPolarHBondContact CG1-OG 3.45Å; E674-S678 WeakPolarHBondContact O-CB 3.34Å; E674-S678 PolarHBondContact O-N 2.92Å; E674-S678 PolarHBondContact O-OG 3.09Å; K676-S678 VanDerWaalsContact C-N 3.34Å; S678-S681 PolarHBondContact O-N 3.27Å; S678-A682 VanDerWaalsContact O-CB 3.29Å; S678-A682 WeakPolarHBondContact O-CB 3.29Å; S678-A682 PolarHBondContact O-N 3.13Å
679W81.8Confident73.6Confident90 Ų9064.9 Ų64.934%0.34131%0.306SS..Hα-helixtrans-62.8-49.3174.1177.2-97.5000112.5L664 T675 K676 S681 A682 R683 I699 F701L664-W679 HydrophobicContact CD1-CB 4.22Å; L664-W679 HydrophobicContact CD1-CE3 3.91Å; T675-W679 PolarHBondContact O-N 2.97Å; K676-W679 WeakPolarHBondContact O-CB 3.47Å; K676-W679 PolarHBondContact O-N 3.31Å; W679-S681 VanDerWaalsContact C-N 3.28Å; W679-S681 PolarHBondContact O-N 3.21Å; W679-A682 PolarHBondContact O-N 3.43Å; W679-R683 PolarHBondContact O-N 2.99Å; W679-R683 VanDerWaalsContact O-N 3.11Å; W679-I699 HydrophobicContact CE3-CB 4.09Å; W679-I699 HydrophobicContact CE3-CD1 4.5Å; W679-I699 HydrophobicContact CE3-CG2 3.56Å; W679-I699 HydrophobicContact CH2-CB 3.94Å; W679-I699 HydrophobicContact CH2-CG2 4.33Å; W679-I699 HydrophobicContact CZ3-CB 3.46Å; W679-I699 VanDerWaalsContact CZ3-CB 3.46Å; W679-I699 HydrophobicContact CZ3-CD1 4.39Å; W679-I699 HydrophobicContact CZ3-CG2 3.38Å; W679-F701 HydrophobicContact CB-CZ 4.11Å; W679-F701 AromaticContact CD2-CE2 3.97Å; W679-F701 HydrophobicContact CD2-CE2 3.97Å; W679-F701 AromaticContact CD2-CZ 3.99Å; W679-F701 HydrophobicContact CD2-CZ 3.99Å; W679-F701 HydrophobicContact CE3-CD2 4.12Å; W679-F701 HydrophobicContact CE3-CE1 4.48Å; W679-F701 AromaticContact CE3-CE2 3.11Å; W679-F701 HydrophobicContact CE3-CE2 3.11Å; W679-F701 AromaticContact CE3-CZ 3.35Å; W679-F701 HydrophobicContact CE3-CZ 3.35Å; W679-F701 HydrophobicContact CG-CZ 4.32Å; W679-F701 HydrophobicContact CH2-CE2 4.28Å; W679-F701 AromaticContact CZ3-CD2 3.95Å; W679-F701 HydrophobicContact CZ3-CD2 3.95Å; W679-F701 AromaticContact CZ3-CE2 3.29Å; W679-F701 HydrophobicContact CZ3-CE2 3.29Å; W679-F701 HydrophobicContact CZ3-CZ 4.03Å
680N75.7Confident71.6Confident62 Ų6262.4 Ų62.433%0.33230%0.304SS..Hα-helixtrans-59.1-45.2177.6-69.7-24.7000110.7K676 E677 R683 E684K676-N680 PolarHBondContact O-N 3.41Å; K676-N680 VanDerWaalsContact O-N 3.14Å; K676-N680 PolarHBondContact O-ND2 2.76Å; E677-N680 PolarHBondContact O-N 3.21Å; N680-R683 PolarHBondContact O-N 3.21Å; N680-E684 PolarHBondContact O-N 3.08Å
681S74.8Confident69.8Low22 Ų2264.1 Ų64.115%0.15432%0.318CS..Hα-helixtrans-68.8-35.1-179.2-59.90000113.3F635 E677 S678 W679 R683 E684 Y685F635-S681 WeakPolarHBondContact CE1-OG 3.33Å; E677-S681 WeakPolarHBondContact O-CB 3.34Å; E677-S681 PolarHBondContact O-N 3.41Å; E677-S681 PolarHBondContact O-OG 3.37Å; S678-S681 PolarHBondContact O-N 3.27Å; W679-S681 VanDerWaalsContact C-N 3.28Å; W679-S681 PolarHBondContact O-N 3.21Å; S681-R683 VanDerWaalsContact C-N 3.34Å; S681-E684 PolarHBondContact O-N 3.08Å; S681-Y685 WeakPolarHBondContact O-CB 3.49Å; S681-Y685 PolarHBondContact O-N 2.76Å
682A72.7Confident68.5Low0 Ų064.8 Ų64.80%034%0.337CS..Hα-helixtrans-63.1-41172.600000111.4L655 I662 L664 S678 W679 Y685 L686 I699L655-A682 HydrophobicContact CD1-CB 3.79Å; I662-A682 HydrophobicContact CD1-CB 4.42Å; I662-A682 HydrophobicContact CG2-CB 4.17Å; L664-A682 HydrophobicContact CD1-CB 4.41Å; L664-A682 HydrophobicContact CD2-CB 4.25Å; S678-A682 VanDerWaalsContact O-CB 3.29Å; S678-A682 WeakPolarHBondContact O-CB 3.29Å; S678-A682 PolarHBondContact O-N 3.13Å; W679-A682 PolarHBondContact O-N 3.43Å; A682-Y685 WeakPolarHBondContact O-CB 3.39Å; A682-Y685 PolarHBondContact O-N 3.29Å; A682-L686 PolarHBondContact O-N 3.27Å; A682-I699 HydrophobicContact CB-CD1 3.83Å; A682-I699 HydrophobicContact CB-CG1 4.39Å; A682-I699 HydrophobicContact CB-CG2 4.16Å
683R78.8Confident67.3Low131 Ų13158.4 Ų58.449%0.49431%0.307SS..Hα-helixtrans-67.3-41.2176.3-163.3175.491.4161.34.3112.3W679 N680 S681 Y685 K687 I699W679-R683 PolarHBondContact O-N 2.99Å; W679-R683 VanDerWaalsContact O-N 3.11Å; N680-R683 PolarHBondContact O-N 3.21Å; S681-R683 VanDerWaalsContact C-N 3.34Å; R683-Y685 VanDerWaalsContact C-N 3.34Å; R683-K687 WeakPolarHBondContact O-CG 3.42Å; R683-K687 PolarHBondContact O-N 3.05Å; R683-K687 VanDerWaalsContact O-N 3.17Å; R683-I699 HydrophobicContact CB-CD1 4.25Å
684E73.6Confident66.9Low105 Ų10559 Ų5949%0.49131%0.307SS..Hα-helixtrans-65.4-39.8173.3-74-174.3176.200111.7N680 S681 L686 K687 M688N680-E684 PolarHBondContact O-N 3.08Å; S681-E684 PolarHBondContact O-N 3.08Å; E684-L686 PolarHBondContact O-N 3.33Å; E684-K687 PolarHBondContact O-N 3.21Å; E684-M688 HydrophobicContact CB-CE 4.1Å; E684-M688 HydrophobicContact CG-CE 4.16Å; E684-M688 WeakPolarHBondContact O-CB 3.5Å; E684-M688 VanDerWaalsContact O-CG 3.3Å; E684-M688 WeakPolarHBondContact O-CG 3.27Å; E684-M688 PolarHBondContact O-N 2.73Å
685Y70.2Confident66.7Low23 Ų2362.1 Ų62.19%0.0933%0.327CS..Hα-helixtrans-59.4-44.1176.9175.2-93.3000111.9R624 F626 D657 I662 S681 A682 R683 H689R624-Y685 PolarHBondContact NH1-OH 3.01Å; F626-Y685 HydrophobicContact CZ-CE2 4.28Å; D657-Y685 HydrophobicContact CB-CE1 4.11Å; D657-Y685 WeakPolarHBondContact OD2-CE1 3.27Å; D657-Y685 VanDerWaalsContact OD2-CZ 3.27Å; D657-Y685 PolarHBondContact OD2-OH 3.33Å; I662-Y685 HydrophobicContact CD1-CD1 3.65Å; I662-Y685 HydrophobicContact CD1-CE1 4.13Å; S681-Y685 WeakPolarHBondContact O-CB 3.49Å; S681-Y685 PolarHBondContact O-N 2.76Å; A682-Y685 WeakPolarHBondContact O-CB 3.39Å; A682-Y685 PolarHBondContact O-N 3.29Å; R683-Y685 VanDerWaalsContact C-N 3.34Å; Y685-H689 AromaticContact CE1-CD2 3.95Å; Y685-H689 AromaticContact CZ-CD2 3.7Å; Y685-H689 WeakPolarHBondContact O-CB 3.27Å; Y685-H689 PolarHBondContact O-N 2.81Å; Y685-H689 VanDerWaalsContact O-N 3.07Å
686L61.6Low66.5Low1 Ų167.2 Ų67.21%0.00535%0.353CS..Hα-helixtrans-61.2-49.8173.2-71.1173000111.9I662 A682 E684 M688 H689 R693 A697 I699I662-L686 HydrophobicContact CD1-CD1 4.04Å; I662-L686 HydrophobicContact CD1-CD2 3.54Å; I662-L686 HydrophobicContact CD1-CG 3.52Å; I662-L686 HydrophobicContact CG1-CD2 4.13Å; I662-L686 HydrophobicContact CG1-CG 4.48Å; A682-L686 PolarHBondContact O-N 3.27Å; E684-L686 PolarHBondContact O-N 3.33Å; L686-M688 VanDerWaalsContact C-N 3.32Å; L686-M688 PolarHBondContact O-N 3.18Å; L686-H689 PolarHBondContact O-N 2.96Å; L686-R693 HydrophobicContact CD2-CB 4.21Å; L686-R693 VanDerWaalsContact CD2-NH2 3.29Å; L686-A697 HydrophobicContact CD1-CB 3.98Å; L686-A697 WeakPolarHBondContact CD1-O 3.31Å; L686-A697 HydrophobicContact CD2-CB 3.84Å; L686-I699 HydrophobicContact CD1-CD1 4.09Å; L686-I699 HydrophobicContact CD1-CG1 3.95Å
687K66.7Low66.2Low116 Ų11661.1 Ų61.150%0.50433%0.328SS..Hα-helixtrans-61.6-38.4-178.3-74177.5-179.8-169.40113.5R683 E684 P695R683-K687 WeakPolarHBondContact O-CG 3.42Å; R683-K687 PolarHBondContact O-N 3.05Å; R683-K687 VanDerWaalsContact O-N 3.17Å; E684-K687 PolarHBondContact O-N 3.21Å; K687-P695 HydrophobicContact CG-CB 4.05Å
688M53.3Low66.5Low118 Ų11861.1 Ų61.158%0.58133%0.334SS*.THydrogen-bonded Turntrans-96.65.9-175-58.3179.4-165.900112.4E684 L686 P690E684-M688 HydrophobicContact CB-CE 4.1Å; E684-M688 HydrophobicContact CG-CE 4.16Å; E684-M688 WeakPolarHBondContact O-CB 3.5Å; E684-M688 VanDerWaalsContact O-CG 3.3Å; E684-M688 WeakPolarHBondContact O-CG 3.27Å; E684-M688 PolarHBondContact O-N 2.73Å; L686-M688 VanDerWaalsContact C-N 3.32Å; L686-M688 PolarHBondContact O-N 3.18Å; M688-P690 WeakPolarHBondContact O-CD 3.42Å
689H48Very low66.9Low21 Ų2162.5 Ų62.510%0.09734%0.341CS..  trans-64.9124.9-175.7-165.6-83.8000110.3W659 Y685 L686 A691 G692 R693W659-H689 AromaticContact CH2-CE1 3.95Å; W659-H689 AromaticContact CZ3-CE1 3.36Å; W659-H689 WeakPolarHBondContact CZ3-CE1 3.37Å; Y685-H689 AromaticContact CE1-CD2 3.95Å; Y685-H689 AromaticContact CZ-CD2 3.7Å; Y685-H689 WeakPolarHBondContact O-CB 3.27Å; Y685-H689 PolarHBondContact O-N 2.81Å; Y685-H689 VanDerWaalsContact O-N 3.07Å; L686-H689 PolarHBondContact O-N 2.96Å; H689-A691 WeakPolarHBondContact ND1-CB 2.97Å; H689-A691 PolarHBondContact ND1-N 3.36Å; H689-A691 PolarHBondContact O-N 3.33Å; H689-G692 PolarHBondContact O-N 3.07Å; H689-R693 HydrophobicContact CB-CB 3.71Å; H689-R693 HydrophobicContact CB-CG 3.39Å; H689-R693 WeakPolarHBondContact ND1-CG 3.26Å
690P41.4Very low67.1Low78 Ų7861 Ų6151%0.50634%0.339SS..THydrogen-bonded Turntrans-59.7-18.9-172.4-26.934000115.8M688 G692M688-P690 WeakPolarHBondContact O-CD 3.42Å; P690-G692 VanDerWaalsContact C-N 3.33Å
691A45.4Very low67.7Low56 Ų5662.4 Ų62.446%0.46334%0.342SS..THydrogen-bonded Turntrans-90.56.7177.500000114W659 H689W659-A691 HydrophobicContact CH2-CB 3.29Å; W659-A691 HydrophobicContact CZ2-CB 4.13Å; W659-A691 HydrophobicContact CZ3-CB 4.09Å; H689-A691 WeakPolarHBondContact ND1-CB 2.97Å; H689-A691 PolarHBondContact ND1-N 3.36Å; H689-A691 PolarHBondContact O-N 3.33Å
692G52.6Low68.3Low67 Ų6761.6 Ų61.669%0.69134%0.336SS*.  trans64.855.5-178.300000111.8H689 P690H689-G692 PolarHBondContact O-N 3.07Å; P690-G692 VanDerWaalsContact C-N 3.33Å
693R59.4Low69.2Low15 Ų1568.1 Ų68.16%0.05736%0.364CS..  trans-59147.4173.7-77.3-76.7-50.1-100.77109.5D657 W659 L686 H689 P695 A697D657-R693 IonicContact OD1-CZ 3.61Å; D657-R693 IonicContact OD1-NH1 2.94Å; D657-R693 PolarHBondContact OD1-NH1 3Å; D657-R693 IonicContact OD2-NH1 3.31Å; W659-R693 VanDerWaalsContact C-CZ 3.4Å; W659-R693 PolarHBondContact O-NE 3.41Å; W659-R693 PolarHBondContact O-NH1 3.02Å; W659-R693 PolarHBondContact O-NH2 3.08Å; L686-R693 HydrophobicContact CD2-CB 4.21Å; L686-R693 VanDerWaalsContact CD2-NH2 3.29Å; H689-R693 HydrophobicContact CB-CB 3.71Å; H689-R693 HydrophobicContact CB-CG 3.39Å; H689-R693 WeakPolarHBondContact ND1-CG 3.26Å; R693-P695 WeakPolarHBondContact O-CD 3.08Å; R693-A697 VanDerWaalsContact NH2-CB 3.27Å
694D65Low69.7Low95 Ų9562.9 Ų62.951%0.50835%0.346SS..  trans-59.8117.8168.1-169.1-17.1000109.2D696 A697D694-D696 PolarHBondContact O-N 3.14Å; D694-D696 WeakPolarHBondContact OD1-CB 3.46Å; D694-D696 PolarHBondContact OD1-N 3.27Å; D694-A697 HydrophobicContact CB-CB 4.47Å; D694-A697 VanDerWaalsContact O-CB 3.22Å; D694-A697 WeakPolarHBondContact O-CB 3.14Å; D694-A697 PolarHBondContact O-N 2.92Å
695P71.2Confident70.1Confident64 Ų6460.1 Ų60.142%0.41635%0.345SS..THydrogen-bonded Turntrans-61.3-20.8176.3-23.536.1000113.7K687 R693 A697K687-P695 HydrophobicContact CG-CB 4.05Å; R693-P695 WeakPolarHBondContact O-CD 3.08Å; P695-A697 VanDerWaalsContact C-N 3.34Å
696D76.8Confident70.8Confident144 Ų14465.1 Ų65.177%0.7737%0.374SS*.THydrogen-bonded Turntrans-93.97.6178.6-62.6-35.7000112.3D694D694-D696 PolarHBondContact O-N 3.14Å; D694-D696 WeakPolarHBondContact OD1-CB 3.46Å; D694-D696 PolarHBondContact OD1-N 3.27Å
697A71.6Confident72.1Confident10 Ų1066.5 Ų66.58%0.08338%0.38CS..  trans-54.8134.7171.600000110.4L686 R693 D694 P695 I699L686-A697 HydrophobicContact CD1-CB 3.98Å; L686-A697 WeakPolarHBondContact CD1-O 3.31Å; L686-A697 HydrophobicContact CD2-CB 3.84Å; R693-A697 VanDerWaalsContact NH2-CB 3.27Å; D694-A697 HydrophobicContact CB-CB 4.47Å; D694-A697 VanDerWaalsContact O-CB 3.22Å; D694-A697 WeakPolarHBondContact O-CB 3.14Å; D694-A697 PolarHBondContact O-N 2.92Å; P695-A697 VanDerWaalsContact C-N 3.34Å; A697-I699 PolarHBondContact O-N 3.49Å
698P79.6Confident72.8Confident66 Ų6663.2 Ų63.243%0.42937%0.371SS..  trans-65.7135.3-17122.3-30.3000111.6E661 I662 I700E661-P698 WeakPolarHBondContact CA-O 3.47Å; E661-P698 HydrophobicContact CB-CG 3.73Å; E661-P698 WeakPolarHBondContact CB-O 3.37Å; I662-P698 PolarHBondContact N-O 3.32Å; P698-I700 HydrophobicContact CB-CG1 4.45Å
699I85.6Confident73.8Confident29 Ų2960.2 Ų60.215%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-107.4115.8169.9-54.7169.6000107.3I662 L664 W679 A682 R683 L686 A697I662-I699 HydrophobicContact CB-CG1 4.36Å; I662-I699 HydrophobicContact CG2-CG2 4.41Å; I662-I699 CarbonylContact O-C 3.5Å; I662-I699 VanDerWaalsContact O-CA 3.26Å; I662-I699 WeakPolarHBondContact O-CA 3.3Å; L664-I699 HydrophobicContact CD1-CG2 3.69Å; L664-I699 HydrophobicContact CG-CG2 3.84Å; W679-I699 HydrophobicContact CE3-CB 4.09Å; W679-I699 HydrophobicContact CE3-CD1 4.5Å; W679-I699 HydrophobicContact CE3-CG2 3.56Å; W679-I699 HydrophobicContact CH2-CB 3.94Å; W679-I699 HydrophobicContact CH2-CG2 4.33Å; W679-I699 HydrophobicContact CZ3-CB 3.46Å; W679-I699 VanDerWaalsContact CZ3-CB 3.46Å; W679-I699 HydrophobicContact CZ3-CD1 4.39Å; W679-I699 HydrophobicContact CZ3-CG2 3.38Å; A682-I699 HydrophobicContact CB-CD1 3.83Å; A682-I699 HydrophobicContact CB-CG1 4.39Å; A682-I699 HydrophobicContact CB-CG2 4.16Å; R683-I699 HydrophobicContact CB-CD1 4.25Å; L686-I699 HydrophobicContact CD1-CD1 4.09Å; L686-I699 HydrophobicContact CD1-CG1 3.95Å; A697-I699 PolarHBondContact O-N 3.49Å
700I84.8Confident75.2Confident57 Ų5761.4 Ų61.429%0.29237%0.365SS..EExtended strand (participates in β ladder)trans-111.2122.3-170.8-58.6177.4000109.5E661 I662 F663 L664 P698 V702E661-I700 HydrophobicContact CG-CD1 4.47Å; E661-I700 WeakPolarHBondContact OE2-CD1 3.3Å; I662-I700 PolarHBondContact O-N 2.88Å; F663-I700 CarbonylContact C-O 3.23Å; F663-I700 VanDerWaalsContact CA-O 3.31Å; F663-I700 WeakPolarHBondContact CA-O 3.33Å; F663-I700 HydrophobicContact CD1-CB 3.79Å; F663-I700 HydrophobicContact CD1-CD1 4.4Å; F663-I700 HydrophobicContact CD1-CG2 3.93Å; F663-I700 HydrophobicContact CE1-CB 4.1Å; F663-I700 HydrophobicContact CE1-CD1 3.89Å; F663-I700 HydrophobicContact CE1-CG2 4.07Å; F663-I700 HydrophobicContact CZ-CD1 4.43Å; L664-I700 PolarHBondContact N-O 3.2Å; P698-I700 HydrophobicContact CB-CG1 4.45Å; I700-V702 HydrophobicContact CG2-CG2 4.38Å
701F88.4Confident77.2Confident93 Ų9357.7 Ų57.741%0.40834%0.341SS..EExtended strand (participates in β ladder)trans-79.5129.7171.7-75.3-85.3000111.1L664 V666 T675 W679L664-F701 HydrophobicContact CB-CD1 3.95Å; L664-F701 HydrophobicContact CB-CE1 4.12Å; L664-F701 HydrophobicContact CD1-CD1 4.39Å; L664-F701 HydrophobicContact CD1-CE1 3.8Å; L664-F701 HydrophobicContact CD1-CZ 3.94Å; L664-F701 WeakPolarHBondContact O-CA 3.47Å; V666-F701 HydrophobicContact CG2-CD1 3.89Å; V666-F701 HydrophobicContact CG2-CE1 4.43Å; T675-F701 HydrophobicContact CG2-CE1 3.82Å; W679-F701 HydrophobicContact CB-CZ 4.11Å; W679-F701 AromaticContact CD2-CE2 3.97Å; W679-F701 HydrophobicContact CD2-CE2 3.97Å; W679-F701 AromaticContact CD2-CZ 3.99Å; W679-F701 HydrophobicContact CD2-CZ 3.99Å; W679-F701 HydrophobicContact CE3-CD2 4.12Å; W679-F701 HydrophobicContact CE3-CE1 4.48Å; W679-F701 AromaticContact CE3-CE2 3.11Å; W679-F701 HydrophobicContact CE3-CE2 3.11Å; W679-F701 AromaticContact CE3-CZ 3.35Å; W679-F701 HydrophobicContact CE3-CZ 3.35Å; W679-F701 HydrophobicContact CG-CZ 4.32Å; W679-F701 HydrophobicContact CH2-CE2 4.28Å; W679-F701 AromaticContact CZ3-CD2 3.95Å; W679-F701 HydrophobicContact CZ3-CD2 3.95Å; W679-F701 AromaticContact CZ3-CE2 3.29Å; W679-F701 HydrophobicContact CZ3-CE2 3.29Å; W679-F701 HydrophobicContact CZ3-CZ 4.03Å
702V88.3Confident79Confident4 Ų455.9 Ų55.92%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-119.9131.2174.8-177.90000107.5F663 L664 W665 V666 I700 E707 P708 F711F663-V702 HydrophobicContact CB-CG2 4.32Å; F663-V702 HydrophobicContact CD1-CG2 3.62Å; F663-V702 HydrophobicContact CE1-CG2 4.39Å; F663-V702 HydrophobicContact CG-CG2 4.39Å; L664-V702 PolarHBondContact O-N 3.26Å; W665-V702 CarbonylContact C-O 3.56Å; W665-V702 VanDerWaalsContact CA-O 3.27Å; W665-V702 WeakPolarHBondContact CA-O 3.41Å; W665-V702 HydrophobicContact CB-CB 4.43Å; V666-V702 PolarHBondContact N-O 3.47Å; I700-V702 HydrophobicContact CG2-CG2 4.38Å; V702-E707 HydrophobicContact CG1-CB 4.03Å; V702-E707 HydrophobicContact CG1-CG 3.78Å; V702-P708 HydrophobicContact CG2-CG 4.29Å; V702-F711 HydrophobicContact CG1-CG 4.5Å; V702-F711 HydrophobicContact CG2-CD2 4.26Å; V702-F711 HydrophobicContact CG2-CG 4.45Å
703K90.4Very high80.3Confident137 Ų13752.8 Ų52.860%0.59629%0.292SS*.EExtended strand (participates in β ladder)trans-99.1142.6176.7-67.2-173.9178.8-174.80109.9G705 N706K703-G705 PolarHBondContact O-N 2.82Å; K703-N706 CarbonylContact O-C 3.58Å; K703-N706 PolarHBondContact O-N 3.37Å
704Q89.3Confident81.3Confident22 Ų2253.5 Ų53.510%0.10330%0.295CS..THydrogen-bonded Turntrans-47.4132.8172.9178.9178-2000111.9E650 W665 V666 K668 N706 E707 W723E650-Q704 PolarHBondContact OE2-NE2 3.1Å; W665-Q704 HydrophobicContact CH2-CB 4Å; W665-Q704 HydrophobicContact CH2-CG 4.08Å; W665-Q704 HydrophobicContact CZ2-CB 3.5Å; W665-Q704 HydrophobicContact CZ2-CG 3.61Å; V666-Q704 PolarHBondContact O-N 2.86Å; K668-Q704 HydrophobicContact CB-CB 4.48Å; Q704-N706 PolarHBondContact O-N 2.76Å; Q704-N706 PolarHBondContact O-ND2 3.08Å; Q704-E707 VanDerWaalsContact CA-OE1 3.26Å; Q704-E707 WeakPolarHBondContact CA-OE1 3.48Å; Q704-W723 HydrophobicContact CG-CD2 3.91Å; Q704-W723 HydrophobicContact CG-CE3 4.36Å; Q704-W723 HydrophobicContact CG-CG 4.09Å; Q704-W723 HydrophobicContact CG-CZ2 4.41Å; Q704-W723 VanDerWaalsContact NE2-CG 3.34Å
705G83.8Confident82.1Confident46 Ų4649.1 Ų49.147%0.47427%0.271SS..THydrogen-bonded Turntrans75.30.9-17900000115.1K703 E707K703-G705 PolarHBondContact O-N 2.82Å; G705-E707 VanDerWaalsContact C-OE2 3.28Å; G705-E707 VanDerWaalsContact CA-OE2 3.27Å; G705-E707 WeakPolarHBondContact CA-OE2 3.44Å; G705-E707 VanDerWaalsContact N-CD 3.31Å; G705-E707 PolarHBondContact N-OE1 3.18Å; G705-E707 PolarHBondContact N-OE2 3.45Å
706N84.4Confident82.4Confident129 Ų12947.2 Ų47.269%0.6926%0.258SS*.  trans-128.535.1177.1-62.4-89.8000111K703 Q704K703-N706 CarbonylContact O-C 3.58Å; K703-N706 PolarHBondContact O-N 3.37Å; Q704-N706 PolarHBondContact O-N 2.76Å; Q704-N706 PolarHBondContact O-ND2 3.08Å
707E88.4Confident82.5Confident29 Ų2940.7 Ų40.714%0.13622%0.224CC..  trans-70.7128-177.4-60.578.1-173.200111.6W665 V702 Q704 G705 F711 T712 W718 W723W665-E707 PolarHBondContact NE1-OE1 2.76Å; V702-E707 HydrophobicContact CG1-CB 4.03Å; V702-E707 HydrophobicContact CG1-CG 3.78Å; Q704-E707 VanDerWaalsContact CA-OE1 3.26Å; Q704-E707 WeakPolarHBondContact CA-OE1 3.48Å; G705-E707 VanDerWaalsContact C-OE2 3.28Å; G705-E707 VanDerWaalsContact CA-OE2 3.27Å; G705-E707 WeakPolarHBondContact CA-OE2 3.44Å; G705-E707 VanDerWaalsContact N-CD 3.31Å; G705-E707 PolarHBondContact N-OE1 3.18Å; G705-E707 PolarHBondContact N-OE2 3.45Å; E707-F711 HydrophobicContact CB-CD1 3.87Å; E707-F711 HydrophobicContact CG-CD1 3.81Å; E707-F711 HydrophobicContact CG-CE1 3.97Å; E707-T712 HydrophobicContact CB-CG2 3.42Å; E707-T712 VanDerWaalsContact CB-CG2 3.42Å; E707-T712 HydrophobicContact CG-CG2 4.38Å; E707-W718 HydrophobicContact CB-CH2 4.5Å; E707-W718 HydrophobicContact CB-CZ2 4.06Å; E707-W718 HydrophobicContact CG-CH2 3.92Å; E707-W718 HydrophobicContact CG-CZ2 3.72Å; E707-W723 HydrophobicContact CG-CH2 4.41Å; E707-W723 WeakPolarHBondContact OE1-CH2 3.2Å; E707-W723 WeakPolarHBondContact OE1-CZ3 3.26Å; E707-W723 VanDerWaalsContact OE2-CZ3 3.27Å; E707-W723 WeakPolarHBondContact OE2-CZ3 3.34Å
708P80.4Confident83Confident48 Ų4841.7 Ų41.731%0.31223%0.226SC..  trans-73158.3174.531.7-34.7000110.8V702 T710 F711 T712V702-P708 HydrophobicContact CG2-CG 4.29Å; P708-T710 PolarHBondContact O-N 3.13Å; P708-F711 HydrophobicContact CG-CB 3.93Å; P708-F711 WeakPolarHBondContact O-CA 3.2Å; P708-F711 WeakPolarHBondContact O-CB 3.33Å; P708-F711 PolarHBondContact O-N 3.27Å; P708-T712 PolarHBondContact O-N 2.87Å
709L76Confident82.9Confident55 Ų5539.6 Ų39.629%0.28821%0.211SC..Hα-helixtrans-61-27177.7-66.9168000113.2P607 F711 G713P607-L709 VanDerWaalsContact C-CD1 3.47Å; P607-L709 HydrophobicContact CB-CD1 3.6Å; L709-F711 PolarHBondContact O-N 3.22Å; L709-G713 PolarHBondContact O-N 2.76Å; L709-G713 VanDerWaalsContact O-N 3.15Å
710T76.4Confident82.4Confident46 Ų4640.6 Ų40.628%0.28222%0.219SC..Hα-helixtrans-68.4-16.5173.451.70000113.3D611 P708 W714D611-T710 HydrophobicContact CB-CG2 4.4Å; P708-T710 PolarHBondContact O-N 3.13Å; T710-W714 VanDerWaalsContact O-CD1 3.24Å; T710-W714 PolarHBondContact O-NE1 2.62Å; T710-W714 VanDerWaalsContact O-NE1 3.12Å
711F83.1Confident82.1Confident0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-97.8-53.3173.2178.5-92.7000111.4L648 L656 F663 W665 V702 E707 P708 L709 G713 W714 F715 W718L648-F711 HydrophobicContact CD1-CE1 4.05Å; L648-F711 HydrophobicContact CD1-CZ 4.32Å; L648-F711 HydrophobicContact CD2-CZ 4.24Å; L656-F711 HydrophobicContact CB-CE2 4.01Å; L656-F711 HydrophobicContact CD2-CD2 3.75Å; L656-F711 HydrophobicContact CD2-CE2 3.67Å; L656-F711 HydrophobicContact CD2-CZ 4.46Å; F663-F711 HydrophobicContact CB-CD2 3.63Å; F663-F711 HydrophobicContact CB-CE2 3.85Å; F663-F711 HydrophobicContact CD1-CB 4.4Å; F663-F711 HydrophobicContact CD1-CD2 4.04Å; F663-F711 HydrophobicContact CD2-CD2 4.04Å; F663-F711 HydrophobicContact CE1-CB 4.34Å; F663-F711 AromaticContact CG-CD2 3.65Å; F663-F711 HydrophobicContact CG-CD2 3.65Å; F663-F711 HydrophobicContact CG-CE2 4.36Å; W665-F711 HydrophobicContact CB-CE2 3.94Å; W665-F711 HydrophobicContact CB-CZ 3.65Å; W665-F711 AromaticContact CD1-CE1 3.56Å; W665-F711 AromaticContact CD1-CZ 3.56Å; W665-F711 HydrophobicContact CG-CE1 4.22Å; W665-F711 HydrophobicContact CG-CE2 4.49Å; W665-F711 AromaticContact CG-CZ 3.78Å; W665-F711 HydrophobicContact CG-CZ 3.78Å; V702-F711 HydrophobicContact CG1-CG 4.5Å; V702-F711 HydrophobicContact CG2-CD2 4.26Å; V702-F711 HydrophobicContact CG2-CG 4.45Å; E707-F711 HydrophobicContact CB-CD1 3.87Å; E707-F711 HydrophobicContact CG-CD1 3.81Å; E707-F711 HydrophobicContact CG-CE1 3.97Å; P708-F711 HydrophobicContact CG-CB 3.93Å; P708-F711 WeakPolarHBondContact O-CA 3.2Å; P708-F711 WeakPolarHBondContact O-CB 3.33Å; P708-F711 PolarHBondContact O-N 3.27Å; L709-F711 PolarHBondContact O-N 3.22Å; F711-G713 PolarHBondContact O-N 3.21Å; F711-W714 PolarHBondContact O-N 3.06Å; F711-W714 VanDerWaalsContact O-N 3.12Å; F711-F715 HydrophobicContact CD1-CD2 4.44Å; F711-F715 AromaticContact CD1-CE2 3.8Å; F711-F715 HydrophobicContact CD1-CE2 3.8Å; F711-F715 HydrophobicContact CD2-CE2 4.47Å; F711-F715 HydrophobicContact CE1-CD2 4.23Å; F711-F715 AromaticContact CE1-CE2 3.34Å; F711-F715 HydrophobicContact CE1-CE2 3.34Å; F711-F715 AromaticContact CE1-CZ 3.77Å; F711-F715 HydrophobicContact CE1-CZ 3.77Å; F711-F715 HydrophobicContact CE2-CE2 4.08Å; F711-F715 HydrophobicContact CE2-CZ 4.32Å; F711-F715 HydrophobicContact CG-CE2 4.36Å; F711-F715 AromaticContact CZ-CE2 3.5Å; F711-F715 HydrophobicContact CZ-CE2 3.5Å; F711-F715 AromaticContact CZ-CZ 3.58Å; F711-F715 HydrophobicContact CZ-CZ 3.58Å; F711-F715 WeakPolarHBondContact O-CD2 3.28Å; F711-W718 HydrophobicContact CD1-CH2 4.27Å; F711-W718 AromaticContact CE1-CH2 3.88Å; F711-W718 HydrophobicContact CE1-CH2 3.88Å; F711-W718 HydrophobicContact CE1-CZ3 4.2Å
712T84Confident81.5Confident17 Ų1740.5 Ų40.510%0.10422%0.216CC..Hα-helixtrans-63.5-26.8-174.662.40000112.8E707 P708 W714 F715 W718E707-T712 HydrophobicContact CB-CG2 3.42Å; E707-T712 VanDerWaalsContact CB-CG2 3.42Å; E707-T712 HydrophobicContact CG-CG2 4.38Å; P708-T712 PolarHBondContact O-N 2.87Å; T712-W714 PolarHBondContact O-N 3.05Å; T712-W714 VanDerWaalsContact O-N 3.12Å; T712-F715 PolarHBondContact O-N 3.48Å; T712-F715 VanDerWaalsContact O-N 3.1Å; T712-W718 HydrophobicContact CG2-CD2 3.81Å; T712-W718 VanDerWaalsContact CG2-CE2 3.41Å; T712-W718 HydrophobicContact CG2-CE3 4.36Å; T712-W718 HydrophobicContact CG2-CG 4.23Å; T712-W718 HydrophobicContact CG2-CH2 4.13Å; T712-W718 HydrophobicContact CG2-CZ2 3.59Å; T712-W718 HydrophobicContact CG2-CZ3 4.49Å
713G79.4Confident81.1Confident2 Ų242.5 Ų42.52%0.02122%0.224CC..THydrogen-bonded Turntrans-60.3-16.4175.300000115.4N545 L709 F711N545-G713 WeakPolarHBondContact ND2-CA 3.02Å; N545-G713 PolarHBondContact ND2-O 3.3Å; L709-G713 PolarHBondContact O-N 2.76Å; L709-G713 VanDerWaalsContact O-N 3.15Å; F711-G713 PolarHBondContact O-N 3.21Å
714W79.7Confident80Confident31 Ų3139.8 Ų39.812%0.11722%0.222CC..THydrogen-bonded Turntrans-85.4-11176.9-64.6108.5000113.8L614 P623 L656 T658 T710 F711 T712L614-W714 HydrophobicContact CD2-CD2 4.11Å; L614-W714 HydrophobicContact CD2-CE3 4.08Å; L614-W714 HydrophobicContact CD2-CH2 3.8Å; L614-W714 HydrophobicContact CD2-CZ2 3.78Å; L614-W714 HydrophobicContact CD2-CZ3 3.94Å; P623-W714 HydrophobicContact CB-CD2 4.31Å; P623-W714 HydrophobicContact CB-CE3 4.04Å; P623-W714 HydrophobicContact CB-CZ3 4.49Å; P623-W714 HydrophobicContact CG-CD2 4.33Å; P623-W714 HydrophobicContact CG-CE3 3.63Å; P623-W714 HydrophobicContact CG-CZ3 4.05Å; L656-W714 HydrophobicContact CD2-CB 4.04Å; L656-W714 HydrophobicContact CD2-CG 4.18Å; T658-W714 HydrophobicContact CG2-CD2 4.25Å; T658-W714 HydrophobicContact CG2-CG 4.31Å; T658-W714 HydrophobicContact CG2-CZ2 4.18Å; T710-W714 VanDerWaalsContact O-CD1 3.24Å; T710-W714 PolarHBondContact O-NE1 2.62Å; T710-W714 VanDerWaalsContact O-NE1 3.12Å; F711-W714 PolarHBondContact O-N 3.06Å; F711-W714 VanDerWaalsContact O-N 3.12Å; T712-W714 PolarHBondContact O-N 3.05Å; T712-W714 VanDerWaalsContact O-N 3.12Å
715F82.1Confident78Confident2 Ų245.3 Ų45.31%0.00926%0.257CS..SBendtrans-100.5147.8-176.4-64.6-95.8000111R525 L625 F643 L648 L656 F711 T712 W718R525-F715 PolarHBondContact NH2-O 3.09Å; L625-F715 HydrophobicContact CD2-CE1 4.45Å; F643-F715 AromaticContact CD2-CD1 3.74Å; F643-F715 HydrophobicContact CD2-CD1 3.74Å; F643-F715 AromaticContact CD2-CE1 3.57Å; F643-F715 HydrophobicContact CD2-CE1 3.57Å; F643-F715 HydrophobicContact CD2-CZ 4.25Å; F643-F715 HydrophobicContact CE2-CD1 4.03Å; F643-F715 AromaticContact CE2-CE1 3.94Å; F643-F715 HydrophobicContact CE2-CE1 3.94Å; F643-F715 HydrophobicContact CE2-CG 4.45Å; F643-F715 HydrophobicContact CE2-CZ 4.24Å; L648-F715 HydrophobicContact CD1-CE1 4.14Å; L648-F715 HydrophobicContact CD1-CZ 4.13Å; L648-F715 HydrophobicContact CD2-CE1 4.07Å; L648-F715 HydrophobicContact CD2-CZ 3.97Å; L648-F715 HydrophobicContact CG-CE1 4.1Å; L648-F715 HydrophobicContact CG-CZ 4.32Å; L656-F715 HydrophobicContact CD2-CE2 4.02Å; L656-F715 HydrophobicContact CD2-CZ 4.37Å; F711-F715 HydrophobicContact CD1-CD2 4.44Å; F711-F715 AromaticContact CD1-CE2 3.8Å; F711-F715 HydrophobicContact CD1-CE2 3.8Å; F711-F715 HydrophobicContact CD2-CE2 4.47Å; F711-F715 HydrophobicContact CE1-CD2 4.23Å; F711-F715 AromaticContact CE1-CE2 3.34Å; F711-F715 HydrophobicContact CE1-CE2 3.34Å; F711-F715 AromaticContact CE1-CZ 3.77Å; F711-F715 HydrophobicContact CE1-CZ 3.77Å; F711-F715 HydrophobicContact CE2-CE2 4.08Å; F711-F715 HydrophobicContact CE2-CZ 4.32Å; F711-F715 HydrophobicContact CG-CE2 4.36Å; F711-F715 AromaticContact CZ-CE2 3.5Å; F711-F715 HydrophobicContact CZ-CE2 3.5Å; F711-F715 AromaticContact CZ-CZ 3.58Å; F711-F715 HydrophobicContact CZ-CZ 3.58Å; F711-F715 WeakPolarHBondContact O-CD2 3.28Å; T712-F715 PolarHBondContact O-N 3.48Å; T712-F715 VanDerWaalsContact O-N 3.1Å; F715-W718 HydrophobicContact CB-CE3 3.55Å; F715-W718 HydrophobicContact CB-CZ3 4.03Å; F715-W718 HydrophobicContact CD1-CE3 4.34Å; F715-W718 AromaticContact CD1-CZ3 3.99Å; F715-W718 HydrophobicContact CD1-CZ3 3.99Å; F715-W718 AromaticContact CD2-CE3 3.87Å; F715-W718 HydrophobicContact CD2-CE3 3.87Å; F715-W718 AromaticContact CD2-CZ3 3.55Å; F715-W718 HydrophobicContact CD2-CZ3 3.55Å; F715-W718 HydrophobicContact CE1-CZ3 4.35Å; F715-W718 AromaticContact CE2-CZ3 3.98Å; F715-W718 HydrophobicContact CE2-CZ3 3.98Å; F715-W718 AromaticContact CG-CE3 3.66Å; F715-W718 HydrophobicContact CG-CE3 3.66Å; F715-W718 AromaticContact CG-CZ3 3.57Å; F715-W718 HydrophobicContact CG-CZ3 3.57Å; F715-W718 HydrophobicContact CZ-CZ3 4.36Å
716N78.3Confident75.8Confident25 Ų2546.3 Ų46.313%0.13427%0.267CS..SBendtrans-77132.8173.8-167.835.4000111.3R525 W718R525-N716 WeakPolarHBondContact CD-OD1 3.36Å; R525-N716 VanDerWaalsContact CZ-CA 3.48Å; R525-N716 VanDerWaalsContact CZ-OD1 3.24Å; R525-N716 PolarHBondContact NE-OD1 2.83Å; R525-N716 VanDerWaalsContact NH1-CA 3.35Å; R525-N716 VanDerWaalsContact NH1-CB 3.29Å; N716-W718 PolarHBondContact O-N 2.61Å
717A79.6Confident73.1Confident6 Ų648.1 Ų48.15%0.0528%0.276CS..SBendtrans44.357.8172.900000112.8T535 V537 D719T535-A717 HydrophobicContact CG2-CB 3.51Å; V537-A717 HydrophobicContact CG1-CB 3.72Å; A717-D719 PolarHBondContact O-N 3.15Å
718W80.4Confident70.3Confident32 Ų3252.9 Ų52.912%0.12131%0.31CS..  trans-59.7126.5-179.1-174.6-89.4000111Q645 L648 E707 F711 T712 F715 N716 P720 W723Q645-W718 HydrophobicContact CB-CD2 4.45Å; Q645-W718 HydrophobicContact CB-CE3 3.72Å; Q645-W718 HydrophobicContact CB-CZ3 3.87Å; Q645-W718 HydrophobicContact CG-CD2 4Å; Q645-W718 HydrophobicContact CG-CE3 3.53Å; Q645-W718 HydrophobicContact CG-CH2 3.8Å; Q645-W718 HydrophobicContact CG-CZ2 4.17Å; Q645-W718 HydrophobicContact CG-CZ3 3.46Å; Q645-W718 VanDerWaalsContact CG-CZ3 3.46Å; L648-W718 HydrophobicContact CD1-CH2 3.45Å; L648-W718 VanDerWaalsContact CD1-CH2 3.45Å; L648-W718 HydrophobicContact CD1-CZ3 3.65Å; E707-W718 HydrophobicContact CB-CH2 4.5Å; E707-W718 HydrophobicContact CB-CZ2 4.06Å; E707-W718 HydrophobicContact CG-CH2 3.92Å; E707-W718 HydrophobicContact CG-CZ2 3.72Å; F711-W718 HydrophobicContact CD1-CH2 4.27Å; F711-W718 AromaticContact CE1-CH2 3.88Å; F711-W718 HydrophobicContact CE1-CH2 3.88Å; F711-W718 HydrophobicContact CE1-CZ3 4.2Å; T712-W718 HydrophobicContact CG2-CD2 3.81Å; T712-W718 VanDerWaalsContact CG2-CE2 3.41Å; T712-W718 HydrophobicContact CG2-CE3 4.36Å; T712-W718 HydrophobicContact CG2-CG 4.23Å; T712-W718 HydrophobicContact CG2-CH2 4.13Å; T712-W718 HydrophobicContact CG2-CZ2 3.59Å; T712-W718 HydrophobicContact CG2-CZ3 4.49Å; F715-W718 HydrophobicContact CB-CE3 3.55Å; F715-W718 HydrophobicContact CB-CZ3 4.03Å; F715-W718 HydrophobicContact CD1-CE3 4.34Å; F715-W718 AromaticContact CD1-CZ3 3.99Å; F715-W718 HydrophobicContact CD1-CZ3 3.99Å; F715-W718 AromaticContact CD2-CE3 3.87Å; F715-W718 HydrophobicContact CD2-CE3 3.87Å; F715-W718 AromaticContact CD2-CZ3 3.55Å; F715-W718 HydrophobicContact CD2-CZ3 3.55Å; F715-W718 HydrophobicContact CE1-CZ3 4.35Å; F715-W718 AromaticContact CE2-CZ3 3.98Å; F715-W718 HydrophobicContact CE2-CZ3 3.98Å; F715-W718 AromaticContact CG-CE3 3.66Å; F715-W718 HydrophobicContact CG-CE3 3.66Å; F715-W718 AromaticContact CG-CZ3 3.57Å; F715-W718 HydrophobicContact CG-CZ3 3.57Å; F715-W718 HydrophobicContact CZ-CZ3 4.36Å; N716-W718 PolarHBondContact O-N 2.61Å; W718-P720 WeakPolarHBondContact O-CD 3.1Å; W718-W723 AromaticContact CH2-CH2 3.56Å; W718-W723 HydrophobicContact CH2-CH2 3.56Å; W718-W723 HydrophobicContact CH2-CZ2 4.44Å; W718-W723 HydrophobicContact CH2-CZ3 4.32Å; W718-W723 AromaticContact CZ2-CH2 3.32Å; W718-W723 HydrophobicContact CZ2-CH2 3.32Å; W718-W723 HydrophobicContact CZ2-CZ2 4.48Å; W718-W723 AromaticContact CZ2-CZ3 3.63Å; W718-W723 HydrophobicContact CZ2-CZ3 3.63Å
719D78.3Confident68.1Low21 Ų2153.9 Ų53.911%0.11233%0.328CS..  trans-94.9108.3173.4175.512.8000109.9Q645 A717 F721 K722Q645-D719 PolarHBondContact NE2-O 3.32Å; Q645-D719 PolarHBondContact OE1-O 2.96Å; A717-D719 PolarHBondContact O-N 3.15Å; D719-F721 PolarHBondContact O-N 3.47Å; D719-F721 VanDerWaalsContact O-N 3.1Å; D719-F721 PolarHBondContact OD1-N 3.33Å; D719-K722 HydrophobicContact CB-CB 4.35Å; D719-K722 PolarHBondContact O-N 2.95Å; D719-K722 PolarHBondContact OD2-N 3.34Å
720P75.8Confident65.7Low50 Ų5062.4 Ų62.433%0.32536%0.357SS..THydrogen-bonded Turntrans-63.4-16.7178.5-19.433.1000113.9W718W718-P720 WeakPolarHBondContact O-CD 3.1Å
721F77.2Confident63.9Low91 Ų9169.9 Ų69.940%0.39939%0.388SS..THydrogen-bonded Turntrans-1061.8-174-61.3-66.6000114.2R540 D719 W723 S724R540-F721 VanDerWaalsContact NH2-CZ 3.34Å; D719-F721 PolarHBondContact O-N 3.47Å; D719-F721 VanDerWaalsContact O-N 3.1Å; D719-F721 PolarHBondContact OD1-N 3.33Å; F721-W723 PolarHBondContact O-N 3.45Å; F721-S724 VanDerWaalsContact O-CB 3.29Å; F721-S724 WeakPolarHBondContact O-CB 3.29Å; F721-S724 PolarHBondContact O-N 3.46Å
722K76.7Confident61.2Low57 Ų5774.5 Ų74.525%0.24842%0.42CS..G310 helixtrans-45.1-45.5-178.6-179-175.4172.6790113Q645 S646 D719Q645-K722 HydrophobicContact CB-CD 4.44Å; Q645-K722 VanDerWaalsContact CD-CD 3.47Å; Q645-K722 HydrophobicContact CG-CD 3.55Å; Q645-K722 WeakPolarHBondContact O-CE 3.25Å; S646-K722 VanDerWaalsContact CA-NZ 3.31Å; D719-K722 HydrophobicContact CB-CB 4.35Å; D719-K722 PolarHBondContact O-N 2.95Å; D719-K722 PolarHBondContact OD2-N 3.34Å
723W78.6Confident58.5Low46 Ų4677.7 Ų77.717%0.17445%0.448CS..G310 helixtrans-93.35.8-176.7-52.2-67.8000114.6Q645 L648 W665 Q704 E707 W718 F721 V725Q645-W723 HydrophobicContact CG-CH2 4.35Å; Q645-W723 HydrophobicContact CG-CZ2 4.28Å; L648-W723 HydrophobicContact CB-CZ2 4.49Å; L648-W723 HydrophobicContact CD1-CH2 4.3Å; L648-W723 HydrophobicContact CD1-CZ2 4.16Å; W665-W723 HydrophobicContact CH2-CZ2 4.43Å; W665-W723 HydrophobicContact CZ2-CH2 4.11Å; W665-W723 AromaticContact CZ2-CZ2 3.61Å; W665-W723 HydrophobicContact CZ2-CZ2 3.61Å; Q704-W723 HydrophobicContact CG-CD2 3.91Å; Q704-W723 HydrophobicContact CG-CE3 4.36Å; Q704-W723 HydrophobicContact CG-CG 4.09Å; Q704-W723 HydrophobicContact CG-CZ2 4.41Å; Q704-W723 VanDerWaalsContact NE2-CG 3.34Å; E707-W723 HydrophobicContact CG-CH2 4.41Å; E707-W723 WeakPolarHBondContact OE1-CH2 3.2Å; E707-W723 WeakPolarHBondContact OE1-CZ3 3.26Å; E707-W723 VanDerWaalsContact OE2-CZ3 3.27Å; E707-W723 WeakPolarHBondContact OE2-CZ3 3.34Å; W718-W723 AromaticContact CH2-CH2 3.56Å; W718-W723 HydrophobicContact CH2-CH2 3.56Å; W718-W723 HydrophobicContact CH2-CZ2 4.44Å; W718-W723 HydrophobicContact CH2-CZ3 4.32Å; W718-W723 AromaticContact CZ2-CH2 3.32Å; W718-W723 HydrophobicContact CZ2-CH2 3.32Å; W718-W723 HydrophobicContact CZ2-CZ2 4.48Å; W718-W723 AromaticContact CZ2-CZ3 3.63Å; W718-W723 HydrophobicContact CZ2-CZ3 3.63Å; F721-W723 PolarHBondContact O-N 3.45Å; W723-V725 VanDerWaalsContact C-N 3.33Å
724S68.7Low56.1Low81 Ų8184 Ų8457%0.56649%0.489SS*.G310 helixtrans-85-4.5-178.2-59.80000113.4F721 G726F721-S724 VanDerWaalsContact O-CB 3.29Å; F721-S724 WeakPolarHBondContact O-CB 3.29Å; F721-S724 PolarHBondContact O-N 3.46Å; S724-G726 PolarHBondContact O-N 3.47Å
725V45.9Very low53.5Low138 Ų13888.3 Ų88.384%0.83652%0.519SS*.THydrogen-bonded Turntrans-85.783.1-172.7-168.30000110.9W723W723-V725 VanDerWaalsContact C-N 3.33Å
726G37.9Very low51.2Low67 Ų6794.9 Ų94.969%0.69156%0.559SS**THydrogen-bonded Turntrans-152.7-0.7173.900000115.8S724S724-G726 PolarHBondContact O-N 3.47Å
727L28.2Very low48.9Very low166 Ų166100 Ų10087%0.86959%0.591SS**  trans-132.2110177.3-74.5166.1000110.1G729L727-G729 PolarHBondContact O-N 3.36Å
728P28.9Very low46.4Very low130 Ų130103.2 Ų103.284%0.84462%0.624SS**  trans-71.3116.716928.2-27.9000108.8
729G34.2Very low44.2Very low68 Ų68109.5 Ų109.570%0.70166%0.66SS**  trans79.794.1159.900000116.6L727L727-G729 PolarHBondContact O-N 3.36Å
730R26.2Very low42.2Very low234 Ų234115.2 Ų115.288%0.88369%0.691SS**  trans-171.9116.6130.3-107.2173.1-175.3-171.61.6110S732R730-S732 PolarHBondContact O-N 3.4Å
731H38.8Very low40Very low203 Ų203121.1 Ų121.194%0.9471%0.714SS**  trans-63.4116.4151.9-68.8-66.1000107.7
732S26.4Very low37.8Very low98 Ų98126.2 Ų126.269%0.68574%0.737SS**  trans-156133.9161.8500000110.4R730R730-S732 PolarHBondContact O-N 3.4Å
733A26.7Very low35.6Very low83 Ų83131.6 Ų131.669%0.68676%0.763SS**  trans-54.1168.1-179.500000113.7T735A733-T735 PolarHBondContact O-N 3.12Å
734P29.1Very low33.6Very low136 Ų136135 Ų13588%0.88379%0.789SS**  trans-71.5119-168.128.9-29.8000110.5
735T24.7Very low31.9Very low121 Ų121138.2 Ų138.274%0.74280%0.795SS**  trans-101.7115.3170.1-29.20000108.7A733 V737A733-T735 PolarHBondContact O-N 3.12Å; T735-V737 PolarHBondContact O-N 2.78Å
736T35.8Very low31.4Very low140 Ų140138 Ų13886%0.85978%0.783SS**  trans-64116.3166.333.10000110.6
737V28.6Very low31.2Very low133 Ų133137 Ų13781%0.80677%0.772SS**  trans-144.9111.9162.7-175.10000111.5T735T735-V737 PolarHBondContact O-N 2.78Å
738G27.3Very low31.5Very low72 Ų72134.4 Ų134.474%0.74276%0.758SS**  trans58.988.8131.200000120.6N740G738-N740 PolarHBondContact O-N 3.07Å
739N35.3Very low31.7Very low164 Ų164133 Ų13388%0.87774%0.744SS**  trans-71.8115.1153.1-85-22.6000109.6
740N34.4Very low31.6Very low142 Ų142135.2 Ų135.276%0.75974%0.737SS**  trans-174.789.4151.2-98.4-12.9000109.8G738G738-N740 PolarHBondContact O-N 3.07Å
741E31.3Very low31.9Very low173 Ų173131.1 Ų131.181%0.80873%0.729SS**SBendtrans-172.4-2.9150.2-108.2168.4-161.200115.1
742F30Very low31.6Very low198 Ų198127.6 Ų127.687%0.86871%0.713SS**SBendtrans-109.44.6-178.3-81.5-86.4000116.2
743Q30.4Very low31.9Very low171 Ų171128 Ų12880%0.79971%0.707SS**SBendtrans-80.4-16.7177.8-93.2-176.1-12.900114.3
744T35.9Very low32.2Very low118 Ų118131.5 Ų131.572%0.72471%0.707SS**THydrogen-bonded Turntrans-78.3-22.3-1716.90000114
745H33.7Very low32.2Very low148 Ų148134.3 Ų134.369%0.68570%0.7SS**THydrogen-bonded Turntrans-88.7-24179.8-136.660.1000113.5
746F36.3Very low32.6Very low134 Ų134135.5 Ų135.559%0.58870%0.702SS**Hα-helixtrans-82-24.6-175.1-140.4-97.5000113.8L748 M750F746-L748 VanDerWaalsContact C-N 3.31Å; F746-L748 PolarHBondContact O-N 3.37Å; F746-M750 PolarHBondContact O-N 3.31Å
747G34.1Very low32.4Very low45 Ų45135.5 Ų135.546%0.46470%0.696SS.*Hα-helixtrans-66-32175.200000113.6M751G747-M751 PolarHBondContact O-N 2.77Å
748L33Very low32.4Very low111 Ų111137.8 Ų137.858%0.58170%0.695SS**Hα-helixtrans-72-32.9-179.7-92145.9000113F746 H752F746-L748 VanDerWaalsContact C-N 3.31Å; F746-L748 PolarHBondContact O-N 3.37Å; L748-H752 PolarHBondContact O-N 3.17Å
749L32.8Very low32.4Very low102 Ų102141.8 Ų141.853%0.53470%0.699SS.*Hα-helixtrans-75.5-40180-158.376.8000112.1M751 H752 L753L749-M751 VanDerWaalsContact C-N 3.32Å; L749-M751 PolarHBondContact O-N 2.86Å; L749-H752 PolarHBondContact O-N 3.15Å; L749-L753 PolarHBondContact O-N 3.32Å
750M32.6Very low32.2Very low113 Ų113143.9 Ų143.956%0.55770%0.701SS**Hα-helixtrans-67.5-30.2176.1-75.6-70.3-8700113F746 K754F746-M750 PolarHBondContact O-N 3.31Å; M750-K754 PolarHBondContact O-N 3.05Å
751M33.3Very low31.8Very low148 Ų148142 Ų14273%0.72970%0.699SS**Hα-helixtrans-70.5-34.1173.3-87.7-168.2160.700113G747 L749G747-M751 PolarHBondContact O-N 2.77Å; L749-M751 VanDerWaalsContact C-N 3.32Å; L749-M751 PolarHBondContact O-N 2.86Å
752H31.9Very low31.5Very low130 Ų130140.3 Ų140.360%0.60270%0.7SS**Hα-helixtrans-72.2-40.7177.2-95.274.2000112.4L748 L749 K754 R755L748-H752 PolarHBondContact O-N 3.17Å; L749-H752 PolarHBondContact O-N 3.15Å; H752-K754 PolarHBondContact O-N 3.25Å; H752-R755 PolarHBondContact O-N 3.48Å
753L33.4Very low31.6Very low105 Ų105139 Ų13955%0.5570%0.702SS.*Hα-helixtrans-69.3-28.7-179.3-88.4149.8000114.3L749L749-L753 PolarHBondContact O-N 3.32Å
754K32.2Very low31.5Very low157 Ų157135.9 Ų135.968%0.68371%0.706SS**Hα-helixtrans-75.7-24.1173.1-82.4-173.8175-178.20113.3M750 H752 L757M750-K754 PolarHBondContact O-N 3.05Å; H752-K754 PolarHBondContact O-N 3.25Å; K754-L757 PolarHBondContact O-N 3.24Å
755R30.2Very low31.3Very low195 Ų195134 Ų13474%0.73671%0.709SS**Hα-helixtrans-74-27.9-173.6-144.9171.8-178.8149.9-0112.9H752 L757H752-R755 PolarHBondContact O-N 3.48Å; R755-L757 VanDerWaalsContact C-N 3.34Å
756D31.3Very low31.1Very low147 Ų147132.6 Ų132.679%0.78672%0.716SS**THydrogen-bonded Turntrans-82.3-9179.1-70.3-26.4000114.1
757L32.7Very low31Very low140 Ų140132.2 Ų132.273%0.73373%0.731SS**THydrogen-bonded Turntrans-91.2-8.3-179.4-86.1153.7000114.5K754 R755K754-L757 PolarHBondContact O-N 3.24Å; R755-L757 VanDerWaalsContact C-N 3.34Å
758F28.9Very low31Very low181 Ų181133.8 Ų133.879%0.79475%0.746SS**SBendtrans-119.62.3-171.5-96.9-79.7000117.6K760F758-K760 PolarHBondContact O-N 3.18Å
759N27.6Very low31.6Very low155 Ų155137 Ų13783%0.82976%0.76SS**  trans-99.874.3177.8-92.1-7.3000113.4
760K29.5Very low32.2Very low209 Ų209138 Ų13891%0.90978%0.776SS**SBendtrans-15969.4149.8-115.9-177.5-172.3-179.60111.9F758F758-K760 PolarHBondContact O-N 3.18Å
761S25.8Very low33.1Very low102 Ų102135.2 Ų135.271%0.71377%0.766SS**SBendtrans177.8129.213859.10000113.3
762T26.5Very low34.1Very low138 Ų138132.7 Ų132.785%0.84776%0.755SS**  trans71.6120.8147540000121.9
763N31.6Very low35.2Very low170 Ų170130.4 Ų130.491%0.90975%0.754SS**  trans-42.7137.6165.3-69.9-25.1000116.2
764A27.9Very low36.5Very low106 Ų106133.1 Ų133.188%0.87676%0.761SS**  173.9147.412500000109.4
765G31.1Very low37.6Very low77 Ų77131.3 Ų131.379%0.79476%0.758SS**  trans-89.9158.1-158.500000117.9
766S31.2Very low39Very low119 Ų119123.8 Ų123.883%0.83273%0.732SS**  trans-179.5116.9134.2610000107.6G768S766-G768 PolarHBondContact O-N 3.17Å
767S32.6Very low40.4Very low127 Ų127122 Ų12289%0.88872%0.722SS**  trans-76.5109178.353.80000110.8
768G35.7Very low41.7Very low77 Ų77122.8 Ų122.879%0.79473%0.727SS**PPolyproline II helixtrans-100.3120.7162.400000109.7S766S766-G768 PolarHBondContact O-N 3.17Å
769M44.4Very low43.5Very low178 Ų178116 Ų11688%0.87770%0.7SS**PPolyproline II helixtrans-80.2129.1169.9-75-176.266.400109.4
770S46.8Very low45.5Very low123 Ų123111.8 Ų111.886%0.8668%0.681SS**PPolyproline II helixtrans-92.3119.5168.772.60000109.8
771V49.5Very low47.3Very low56 Ų56105.2 Ų105.234%0.33967%0.665SS.*PPolyproline II helixtrans-100.4139.3172.6-177.30000108.6S773 L776V771-S773 PolarHBondContact O-N 3.27Å; V771-L776 HydrophobicContact CG1-CD2 4.38Å; V771-L776 HydrophobicContact CG1-CG 4.44Å
772D55.4Low49.3Very low94 Ų94105.6 Ų105.650%0.50367%0.668SS.*PPolyproline II helixtrans-61.8121177.7-171.9-16.1000110.5K774 L775D772-K774 PolarHBondContact O-N 3.3Å; D772-K774 PolarHBondContact OD1-N 2.93Å; D772-K774 VanDerWaalsContact OD1-N 3.16Å; D772-L775 HydrophobicContact CB-CD1 4.16Å; D772-L775 HydrophobicContact CB-CG 4.36Å; D772-L775 WeakPolarHBondContact O-CB 3.41Å; D772-L775 PolarHBondContact O-N 3.16Å
773S53.9Low51.2Low82 Ų82105.6 Ų105.657%0.57366%0.659SS**G310 helixtrans-50.4-29.9-179.859.70000114.1V771 L775 L776V771-S773 PolarHBondContact O-N 3.27Å; S773-L775 PolarHBondContact O-N 3.03Å; S773-L776 PolarHBondContact O-N 3.19Å
774K61.8Low53Low163 Ų16398.9 Ų98.971%0.70962%0.623SS**G310 helixtrans-67.5-22.8179.1-67.6-177.91801780113.3D772 L776D772-K774 PolarHBondContact O-N 3.3Å; D772-K774 PolarHBondContact OD1-N 2.93Å; D772-K774 VanDerWaalsContact OD1-N 3.16Å; K774-L776 VanDerWaalsContact C-N 3.31Å
775L56.1Low54.8Low119 Ų11996.7 Ų96.762%0.62360%0.6SS**G310 helixtrans-84.4-5.4178.5-62.2173000113D772 S773 V779D772-L775 HydrophobicContact CB-CD1 4.16Å; D772-L775 HydrophobicContact CB-CG 4.36Å; D772-L775 WeakPolarHBondContact O-CB 3.41Å; D772-L775 PolarHBondContact O-N 3.16Å; S773-L775 PolarHBondContact O-N 3.03Å; L775-V779 WeakPolarHBondContact O-CG2 3.37Å
776L59.3Low56Low37 Ų37102.9 Ų102.919%0.19461%0.608CS.*SBendtrans-107.7-1.8-177.7-58.8174.1000112.8V771 S773 K774 L784 V788 R793V771-L776 HydrophobicContact CG1-CD2 4.38Å; V771-L776 HydrophobicContact CG1-CG 4.44Å; S773-L776 PolarHBondContact O-N 3.19Å; K774-L776 VanDerWaalsContact C-N 3.31Å; L776-L784 HydrophobicContact CD2-CD2 3.78Å; L776-V788 HydrophobicContact CD2-CG1 4.48Å; L776-R793 PolarHBondContact O-NE 3.24Å; L776-R793 PolarHBondContact O-NH2 3.42Å
777I59.9Low57.5Low110 Ų110101.3 Ų101.356%0.56461%0.61SS**SBendtrans-86.2127.8-179-61.6171000109.2V779I777-V779 PolarHBondContact O-N 3.22Å
778N61.1Low59.1Low156 Ų15697.7 Ų97.783%0.83458%0.583SS**SBendtrans61.419.1179-60.1-29.9000116.5
779V64.9Low60.3Low37 Ų3798.3 Ų98.322%0.22457%0.568CS.*  trans-90.9131.7172.4-175.10000109.9L775 I777 E783 L784 R793L775-V779 WeakPolarHBondContact O-CG2 3.37Å; I777-V779 PolarHBondContact O-N 3.22Å; V779-E783 HydrophobicContact CG1-CB 3.65Å; V779-L784 HydrophobicContact CB-CD2 4.34Å; V779-L784 HydrophobicContact CG1-CD2 4.38Å; V779-R793 PolarHBondContact O-NH2 2.92Å; V779-R793 VanDerWaalsContact O-NH2 3.07Å
780P70.6Confident61Low67 Ų6793.6 Ų93.644%0.43555%0.55SS.*  trans-68.9150.6175.925.2-29.7000111.7S782 E783P780-S782 PolarHBondContact O-N 3.27Å; P780-E783 HydrophobicContact CG-CB 4.45Å; P780-E783 HydrophobicContact CG-CG 4.31Å; P780-E783 PolarHBondContact O-N 2.68Å
781A66.8Low61.6Low71 Ų7192.1 Ų92.159%0.58754%0.54SS*.G310 helixtrans-59.4-25.3-169.200000114.8E783A781-E783 PolarHBondContact O-N 3.3Å
782S68.8Low61.8Low110 Ų11097 Ų9777%0.76956%0.559SS**G310 helixtrans-71.1-14.1176.151.50000114.3P780P780-S782 PolarHBondContact O-N 3.27Å
783E66.5Low61.8Low138 Ų13899.5 Ų99.565%0.64556%0.562SS**G310 helixtrans-114.69.7-175.2-65.9179.2-164.600112.5V779 P780 A781V779-E783 HydrophobicContact CG1-CB 3.65Å; P780-E783 HydrophobicContact CG-CB 4.45Å; P780-E783 HydrophobicContact CG-CG 4.31Å; P780-E783 PolarHBondContact O-N 2.68Å; A781-E783 PolarHBondContact O-N 3.3Å
784L68.2Low61.6Low30 Ų30108.5 Ų108.516%0.15760%0.595CS.*SBendtrans-76.2145.9175.3-68.6173.1000111.3L776 V779 P790L776-L784 HydrophobicContact CD2-CD2 3.78Å; V779-L784 HydrophobicContact CB-CD2 4.34Å; V779-L784 HydrophobicContact CG1-CD2 4.38Å; L784-P790 HydrophobicContact CD1-CB 3.92Å
785P66.4Low61.5Low60 Ų60105.8 Ų105.839%0.3959%0.589SS.*PPolyproline II helixtrans-58.9146.3176.4-22.833.2000112.7G787 V788P785-G787 PolarHBondContact O-N 2.9Å; P785-V788 HydrophobicContact CB-CG2 4.23Å; P785-V788 PolarHBondContact O-N 3.11Å
786E56.8Low61.8Low206 Ų206105.1 Ų105.196%0.96359%0.587SS**THydrogen-bonded Turntrans-59.9122.8-177.4-145.4174.8-166.700111
787G62Low62Low86 Ų86108.8 Ų108.889%0.88761%0.609SS**THydrogen-bonded Turntrans98.71.7-17700000116.1P785P785-G787 PolarHBondContact O-N 2.9Å
788V65.3Low62.1Low51 Ų51108.8 Ų108.831%0.30961%0.612SS.*  trans-92.1118.7173-179.10000110.5L776 P785 P790L776-V788 HydrophobicContact CD2-CG1 4.48Å; P785-V788 HydrophobicContact CB-CG2 4.23Å; P785-V788 PolarHBondContact O-N 3.11Å; V788-P790 WeakPolarHBondContact O-CD 3.36Å
789D62.1Low62.2Low90 Ų90105.8 Ų105.848%0.48160%0.598SS.*  trans-79.3115.4175.7-174.7-17000110.5S791 Q792D789-S791 PolarHBondContact O-N 2.71Å; D789-S791 VanDerWaalsContact O-N 3.11Å; D789-S791 WeakPolarHBondContact OD1-CB 3.42Å; D789-S791 PolarHBondContact OD1-N 3.04Å; D789-S791 PolarHBondContact OD1-OG 3.38Å; D789-S791 PolarHBondContact OD2-OG 3.43Å; D789-Q792 HydrophobicContact CB-CG 4.29Å; D789-Q792 PolarHBondContact O-N 3.07Å
790P59Low62Low79 Ų79110.4 Ų110.451%0.51362%0.623SS.*THydrogen-bonded Turntrans-66.4-11.2-178.125.3-32.1000114.3L784 V788L784-P790 HydrophobicContact CD1-CB 3.92Å; V788-P790 WeakPolarHBondContact O-CD 3.36Å
791S58.4Low61.4Low92 Ų92113.5 Ų113.564%0.64364%0.636SS**THydrogen-bonded Turntrans-85.7-11.5178.370.50000114.6D789D789-S791 PolarHBondContact O-N 2.71Å; D789-S791 VanDerWaalsContact O-N 3.11Å; D789-S791 WeakPolarHBondContact OD1-CB 3.42Å; D789-S791 PolarHBondContact OD1-N 3.04Å; D789-S791 PolarHBondContact OD1-OG 3.38Å; D789-S791 PolarHBondContact OD2-OG 3.43Å
792Q55.4Low60.9Low159 Ų159116.8 Ų116.874%0.74364%0.64SS**  trans-106.151.7-176-66.5-91.5-21.700111.2D789D789-Q792 HydrophobicContact CB-CG 4.29Å; D789-Q792 PolarHBondContact O-N 3.07Å
793R55.3Low60.3Low147 Ų147117.3 Ų117.356%0.55563%0.629SS**  trans-98.422.9-166-141.8-175.1-170.51709.5115.8L776 V779L776-R793 PolarHBondContact O-NE 3.24Å; L776-R793 PolarHBondContact O-NH2 3.42Å; V779-R793 PolarHBondContact O-NH2 2.92Å; V779-R793 VanDerWaalsContact O-NH2 3.07Å
794E48.1Very low59.7Low270 Ų270115.5 Ų115.5100%1.26263%0.627SS**  trans-109.90175.2-74.6-170.2167.700113.3

Retrieved 794 of 794 residues in 310.3 ms (Link to these results)

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