A0A078BPH9_CAEEL Loading...

Lamin

AlphaFold DB , UniProt , Accession A0A078BPH9, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 241 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
1M63.6Low89Confident221 Ų221129.6 Ų129.6100%1.08962%0.624SS**  0-40.40-84.9-168-77.400111.5N3 K4 E5M1-N3 PolarHBondContact O-N 3.09Å; M1-K4 WeakPolarHBondContact O-CB 3.49Å; M1-K4 PolarHBondContact O-N 2.72Å; M1-E5 PolarHBondContact O-N 3.16Å
2E77.7Confident89.6Confident162 Ų162123.9 Ų123.976%0.75761%0.614SS**Hα-helixtrans-48.8-48.9-179-158.7163.1-159.600115.1K4 E5 E6E2-K4 VanDerWaalsContact C-N 3.25Å; E2-K4 PolarHBondContact O-N 3.49Å; E2-E5 PolarHBondContact O-N 3.21Å; E2-E6 PolarHBondContact O-N 3.36Å
3N88.3Confident90.1Very high128 Ų128123.1 Ų123.168%0.68461%0.607SS**Hα-helixtrans-62.2-28.9179.4-160.5-2.3000113.6M1 M7M1-N3 PolarHBondContact O-N 3.09Å; N3-M7 VanDerWaalsContact O-CB 3.27Å; N3-M7 WeakPolarHBondContact O-CB 3.44Å; N3-M7 PolarHBondContact O-N 2.97Å
4K91.4Very high90.6Very high143 Ų143119.7 Ų119.762%0.62259%0.593SS**Hα-helixtrans-74.1-37176-172.6178178.9-1790111.4M1 E2 M7 L8M1-K4 WeakPolarHBondContact O-CB 3.49Å; M1-K4 PolarHBondContact O-N 2.72Å; E2-K4 VanDerWaalsContact C-N 3.25Å; E2-K4 PolarHBondContact O-N 3.49Å; K4-M7 HydrophobicContact CG-CE 4.26Å; K4-L8 VanDerWaalsContact O-CG 3.32Å; K4-L8 WeakPolarHBondContact O-CG 3.44Å; K4-L8 PolarHBondContact O-N 2.94Å; K4-L8 VanDerWaalsContact O-N 3.1Å
5E91.8Very high91Very high108 Ų108117 Ų11751%0.50558%0.582SS.*Hα-helixtrans-70.6-41.4177.5-164.6-174.2146.900111.2M1 E2 L8 K9M1-E5 PolarHBondContact O-N 3.16Å; E2-E5 PolarHBondContact O-N 3.21Å; E5-L8 PolarHBondContact O-N 2.98Å; E5-K9 WeakPolarHBondContact O-CG 3.41Å; E5-K9 PolarHBondContact O-N 3.15Å; E5-K9 VanDerWaalsContact OE1-CE 3.32Å; E5-K9 WeakPolarHBondContact OE1-CE 3.47Å; E5-K9 IonicContact OE1-NZ 2.78Å; E5-K9 PolarHBondContact OE1-NZ 3.01Å
6E93.8Very high91.3Very high115 Ų115117.1 Ų117.154%0.53758%0.58SS.*Hα-helixtrans-61.4-45.4174.4-170.7174.1-169.100111.7E2 L8 K9 L10E2-E6 PolarHBondContact O-N 3.36Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.44Å; E6-K9 PolarHBondContact O-N 3.13Å; E6-L10 HydrophobicContact CG-CD1 4.31Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 3.12Å
7M93.7Very high91.7Very high116 Ų116115.6 Ų115.657%0.57157%0.574SS**Hα-helixtrans-60.1-38.5174.7179.717746.500112.6N3 K4 Q11N3-M7 VanDerWaalsContact O-CB 3.27Å; N3-M7 WeakPolarHBondContact O-CB 3.44Å; N3-M7 PolarHBondContact O-N 2.97Å; K4-M7 HydrophobicContact CG-CE 4.26Å; M7-Q11 WeakPolarHBondContact O-CB 3.29Å; M7-Q11 PolarHBondContact O-N 3.31Å
8L94.1Very high91.9Very high109 Ų109115.6 Ų115.657%0.57157%0.57SS**Hα-helixtrans-67.9-38.7175.6-75.5168.8000112.3K4 E5 E6 Q11 A12K4-L8 VanDerWaalsContact O-CG 3.32Å; K4-L8 WeakPolarHBondContact O-CG 3.44Å; K4-L8 PolarHBondContact O-N 2.94Å; K4-L8 VanDerWaalsContact O-N 3.1Å; E5-L8 PolarHBondContact O-N 2.98Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.44Å; L8-Q11 PolarHBondContact O-N 3.43Å; L8-A12 PolarHBondContact O-N 3.43Å
9K95.1Very high92.1Very high128 Ų128115.8 Ų115.856%0.55757%0.573SS**Hα-helixtrans-64.1-48175.2-73.6174-175.5164.50111.3E5 E6 Q11 A12 E13E5-K9 WeakPolarHBondContact O-CG 3.41Å; E5-K9 PolarHBondContact O-N 3.15Å; E5-K9 VanDerWaalsContact OE1-CE 3.32Å; E5-K9 WeakPolarHBondContact OE1-CE 3.47Å; E5-K9 IonicContact OE1-NZ 2.78Å; E5-K9 PolarHBondContact OE1-NZ 3.01Å; E6-K9 PolarHBondContact O-N 3.13Å; K9-Q11 VanDerWaalsContact C-N 3.3Å; K9-Q11 PolarHBondContact O-N 3.32Å; K9-A12 PolarHBondContact O-N 3.44Å; K9-E13 PolarHBondContact O-N 3.23Å
10L95.5Very high92.3Very high100 Ų100113.8 Ų113.852%0.52456%0.562SS.*Hα-helixtrans-62.4-37.3177.2-71.4172.4000112.3E6 E13 N14E6-L10 HydrophobicContact CG-CD1 4.31Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 3.12Å; L10-E13 PolarHBondContact O-N 3.24Å; L10-N14 WeakPolarHBondContact O-CB 3.37Å; L10-N14 PolarHBondContact O-N 2.9Å
11Q94.4Very high92.5Very high96 Ų96112.2 Ų112.245%0.44956%0.555SS.*Hα-helixtrans-64.8-45.2175.6-176.759.740.800111.5M7 L8 K9 E13 N14 D15M7-Q11 WeakPolarHBondContact O-CB 3.29Å; M7-Q11 PolarHBondContact O-N 3.31Å; L8-Q11 PolarHBondContact O-N 3.43Å; K9-Q11 VanDerWaalsContact C-N 3.3Å; K9-Q11 PolarHBondContact O-N 3.32Å; Q11-E13 PolarHBondContact O-N 2.95Å; Q11-N14 PolarHBondContact O-N 2.89Å; Q11-D15 PolarHBondContact NE2-OD1 3.02Å; Q11-D15 PolarHBondContact NE2-OD2 3.29Å; Q11-D15 VanDerWaalsContact O-CG 3.32Å; Q11-D15 PolarHBondContact O-N 3.45Å
12A95.7Very high94Very high61 Ų61105.7 Ų105.750%0.50453%0.528SS..Hα-helixtrans-63-40.8177.200000112.3L8 K9 D15 H16L8-A12 PolarHBondContact O-N 3.43Å; K9-A12 PolarHBondContact O-N 3.44Å; A12-D15 PolarHBondContact O-N 3.49Å; A12-H16 WeakPolarHBondContact O-CB 3.08Å; A12-H16 PolarHBondContact O-N 3.18Å
13E96.8Very high94.7Very high113 Ų113104 Ų10453%0.52852%0.515SS..Hα-helixtrans-64.8-42175.3-172.8176.2-177.700111.9K9 L10 Q11 D15 H16 L17K9-E13 PolarHBondContact O-N 3.23Å; L10-E13 PolarHBondContact O-N 3.24Å; Q11-E13 PolarHBondContact O-N 2.95Å; E13-D15 VanDerWaalsContact C-N 3.34Å; E13-D15 PolarHBondContact O-N 3.04Å; E13-H16 PolarHBondContact O-N 3.49Å; E13-L17 HydrophobicContact CG-CD1 4.22Å; E13-L17 WeakPolarHBondContact O-CB 3.42Å; E13-L17 WeakPolarHBondContact O-CG 3.34Å; E13-L17 PolarHBondContact O-N 3.04Å
14N96.1Very high95.1Very high76 Ų76101.7 Ų101.741%0.40650%0.502SS..Hα-helixtrans-62-42.2176.2-165-62.9000111.9L10 Q11 L17 K18L10-N14 WeakPolarHBondContact O-CB 3.37Å; L10-N14 PolarHBondContact O-N 2.9Å; Q11-N14 PolarHBondContact O-N 2.89Å; N14-L17 PolarHBondContact O-N 3.14Å; N14-K18 WeakPolarHBondContact O-CG 3.39Å; N14-K18 PolarHBondContact O-N 2.65Å; N14-K18 WeakPolarHBondContact OD1-CE 3.39Å; N14-K18 PolarHBondContact OD1-NZ 3.11Å
15D96.5Very high95.2Very high79 Ų79101.2 Ų101.242%0.42250%0.5SS..Hα-helixtrans-68.8-36.1178.1-67.1-25.9000111.7Q11 A12 E13 K18 L19Q11-D15 PolarHBondContact NE2-OD1 3.02Å; Q11-D15 PolarHBondContact NE2-OD2 3.29Å; Q11-D15 VanDerWaalsContact O-CG 3.32Å; Q11-D15 PolarHBondContact O-N 3.45Å; A12-D15 PolarHBondContact O-N 3.49Å; E13-D15 VanDerWaalsContact C-N 3.34Å; E13-D15 PolarHBondContact O-N 3.04Å; D15-K18 PolarHBondContact O-N 3.09Å; D15-K18 IonicContact OD1-NZ 2.85Å; D15-L19 PolarHBondContact O-N 3.47Å; D15-L19 VanDerWaalsContact O-N 3.11Å
16H96.5Very high95Very high119 Ų11999.4 Ų99.455%0.55150%0.499SS*.Hα-helixtrans-62.6-48.6171-177.964.9000112.1A12 E13 K18 L19 E20A12-H16 WeakPolarHBondContact O-CB 3.08Å; A12-H16 PolarHBondContact O-N 3.18Å; E13-H16 PolarHBondContact O-N 3.49Å; H16-K18 VanDerWaalsContact C-N 3.31Å; H16-K18 PolarHBondContact O-N 2.86Å; H16-L19 WeakPolarHBondContact O-CB 3.4Å; H16-L19 PolarHBondContact O-N 3.31Å; H16-L19 VanDerWaalsContact O-N 3.15Å; H16-E20 PolarHBondContact O-N 2.96Å
17L97.1Very high94.9Very high92 Ų9296.9 Ų96.948%0.48249%0.489SS..Hα-helixtrans-63.3-35.8178.4-73.2171.9000112.3E13 N14 E20 N21E13-L17 HydrophobicContact CG-CD1 4.22Å; E13-L17 WeakPolarHBondContact O-CB 3.42Å; E13-L17 WeakPolarHBondContact O-CG 3.34Å; E13-L17 PolarHBondContact O-N 3.04Å; N14-L17 PolarHBondContact O-N 3.14Å; L17-E20 PolarHBondContact O-N 3.05Å; L17-N21 VanDerWaalsContact O-CB 3.26Å; L17-N21 WeakPolarHBondContact O-CB 3.4Å; L17-N21 PolarHBondContact O-N 3.32Å
18K96.6Very high94.8Very high115 Ų11596.3 Ų96.350%0.549%0.487SS..Hα-helixtrans-62.2-45.3172.7-79.9172.2-178.1148.90111.4N14 D15 H16 N21 T22N14-K18 WeakPolarHBondContact O-CG 3.39Å; N14-K18 PolarHBondContact O-N 2.65Å; N14-K18 WeakPolarHBondContact OD1-CE 3.39Å; N14-K18 PolarHBondContact OD1-NZ 3.11Å; D15-K18 PolarHBondContact O-N 3.09Å; D15-K18 IonicContact OD1-NZ 2.85Å; H16-K18 VanDerWaalsContact C-N 3.31Å; H16-K18 PolarHBondContact O-N 2.86Å; K18-N21 PolarHBondContact O-N 3.43Å; K18-T22 WeakPolarHBondContact O-CG2 3.43Å; K18-T22 PolarHBondContact O-N 3.46Å; K18-T22 PolarHBondContact O-OG1 3.11Å
19L95.4Very high94.3Very high120 Ų12093.9 Ų93.963%0.62848%0.482SS*.Hα-helixtrans-62.6-46.4177.6-173.567.9000110.9D15 H16 N21 T22 R23D15-L19 PolarHBondContact O-N 3.47Å; D15-L19 VanDerWaalsContact O-N 3.11Å; H16-L19 WeakPolarHBondContact O-CB 3.4Å; H16-L19 PolarHBondContact O-N 3.31Å; H16-L19 VanDerWaalsContact O-N 3.15Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.88Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 3Å; L19-T22 PolarHBondContact O-OG1 3.41Å; L19-R23 PolarHBondContact O-N 2.92Å
20E96.5Very high93.7Very high75 Ų7592.1 Ų92.135%0.3548%0.482SS..Hα-helixtrans-61.2-41.7176.5-170.9175.8-166.600112H16 L17 T22 R23 L24H16-E20 PolarHBondContact O-N 2.96Å; L17-E20 PolarHBondContact O-N 3.05Å; E20-T22 VanDerWaalsContact C-N 3.34Å; E20-T22 PolarHBondContact O-N 3.32Å; E20-R23 PolarHBondContact O-N 3.12Å; E20-L24 HydrophobicContact CG-CD1 4.14Å; E20-L24 HydrophobicContact CG-CG 4.41Å; E20-L24 WeakPolarHBondContact O-CG 3.49Å; E20-L24 PolarHBondContact O-N 3.49Å
21N95.6Very high93.3Very high80 Ų8092.5 Ų92.543%0.42848%0.482SS..Hα-helixtrans-62.1-40.6176.1-163.8-80.9000112L17 K18 L19 K25L17-N21 VanDerWaalsContact O-CB 3.26Å; L17-N21 WeakPolarHBondContact O-CB 3.4Å; L17-N21 PolarHBondContact O-N 3.32Å; K18-N21 PolarHBondContact O-N 3.43Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.88Å; N21-K25 WeakPolarHBondContact O-CB 3.32Å; N21-K25 WeakPolarHBondContact O-CG 3.34Å; N21-K25 PolarHBondContact O-N 2.83Å; N21-K25 WeakPolarHBondContact OD1-CE 3.36Å; N21-K25 PolarHBondContact OD1-NZ 3.41Å
22T94.3Very high92.6Very high85 Ų8592.7 Ų92.752%0.52148%0.483SS..Hα-helixtrans-65.3-39.717556.50000112.2K18 L19 E20 S26K18-T22 WeakPolarHBondContact O-CG2 3.43Å; K18-T22 PolarHBondContact O-N 3.46Å; K18-T22 PolarHBondContact O-OG1 3.11Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 3Å; L19-T22 PolarHBondContact O-OG1 3.41Å; E20-T22 VanDerWaalsContact C-N 3.34Å; E20-T22 PolarHBondContact O-N 3.32Å; T22-S26 PolarHBondContact O-N 3.4Å; T22-S26 VanDerWaalsContact O-N 3.13Å
23R94.2Very high91.8Very high127 Ų12796.1 Ų96.148%0.47949%0.489SS..Hα-helixtrans-63.6-50.2175.2-171.9-172.268.285.3-6.4111.4L19 E20 K25 S26 D27L19-R23 PolarHBondContact O-N 2.92Å; E20-R23 PolarHBondContact O-N 3.12Å; R23-K25 VanDerWaalsContact C-N 3.3Å; R23-K25 PolarHBondContact O-N 3.02Å; R23-S26 WeakPolarHBondContact O-CA 3.38Å; R23-S26 WeakPolarHBondContact O-CB 3.34Å; R23-S26 PolarHBondContact O-N 3.02Å; R23-D27 IonicContact CZ-OD2 2.71Å; R23-D27 IonicContact NH1-OD2 3.91Å; R23-D27 PolarHBondContact NH1-OD2 2.78Å; R23-D27 PolarHBondContact O-N 2.92Å
24L96.2Very high90.6Very high78 Ų7894.9 Ų94.941%0.40848%0.483SS..Hα-helixtrans-60.1-39.1179.6-72.7172.3000112.2E20 S26 D27 M28E20-L24 HydrophobicContact CG-CD1 4.14Å; E20-L24 HydrophobicContact CG-CG 4.41Å; E20-L24 WeakPolarHBondContact O-CG 3.49Å; E20-L24 PolarHBondContact O-N 3.49Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 3.28Å; L24-D27 PolarHBondContact O-N 2.95Å; L24-M28 WeakPolarHBondContact O-CB 3.39Å; L24-M28 VanDerWaalsContact O-CG 3.27Å; L24-M28 WeakPolarHBondContact O-CG 3.48Å; L24-M28 PolarHBondContact O-N 2.81Å
25K93.1Very high89.9Confident134 Ų13497.1 Ų97.158%0.58349%0.492SS*.Hα-helixtrans-62.6-39.8173.8-79.2172.8173.2158.10112.7N21 R23 A29N21-K25 WeakPolarHBondContact O-CB 3.32Å; N21-K25 WeakPolarHBondContact O-CG 3.34Å; N21-K25 PolarHBondContact O-N 2.83Å; N21-K25 WeakPolarHBondContact OD1-CE 3.36Å; N21-K25 PolarHBondContact OD1-NZ 3.41Å; R23-K25 VanDerWaalsContact C-N 3.3Å; R23-K25 PolarHBondContact O-N 3.02Å; K25-A29 PolarHBondContact O-N 3.48Å; K25-A29 VanDerWaalsContact O-N 3.11Å
26S88.6Confident89Confident69 Ų69100 Ų10048%0.48350%0.501SS..Hα-helixtrans-64.6-46.9174.6-173.30000111.2T22 R23 L24 M28 A29 V30T22-S26 PolarHBondContact O-N 3.4Å; T22-S26 VanDerWaalsContact O-N 3.13Å; R23-S26 WeakPolarHBondContact O-CA 3.38Å; R23-S26 WeakPolarHBondContact O-CB 3.34Å; R23-S26 PolarHBondContact O-N 3.02Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 3.28Å; S26-M28 VanDerWaalsContact C-N 3.33Å; S26-M28 PolarHBondContact O-N 2.95Å; S26-A29 PolarHBondContact O-N 3.03Å; S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 3.33Å; S26-V30 VanDerWaalsContact O-N 3.11Å
27D90.3Very high87.8Confident62 Ų6298.7 Ų98.733%0.33249%0.491SS..Hα-helixtrans-63.1-39.8179.3-66-15000111.4R23 L24 V30 M31R23-D27 IonicContact CZ-OD2 2.71Å; R23-D27 IonicContact NH1-OD2 3.91Å; R23-D27 PolarHBondContact NH1-OD2 2.78Å; R23-D27 PolarHBondContact O-N 2.92Å; L24-D27 PolarHBondContact O-N 2.95Å; D27-V30 PolarHBondContact O-N 3.34Å; D27-M31 WeakPolarHBondContact O-CG 3.47Å; D27-M31 PolarHBondContact O-N 3.01Å
28M91.4Very high86.7Confident105 Ų10598 Ų9852%0.51749%0.488SS..Hα-helixtrans-60.5-44173.3-76.8-178.16900112.3L24 S26 V30 M31 E32L24-M28 WeakPolarHBondContact O-CB 3.39Å; L24-M28 VanDerWaalsContact O-CG 3.27Å; L24-M28 WeakPolarHBondContact O-CG 3.48Å; L24-M28 PolarHBondContact O-N 2.81Å; S26-M28 VanDerWaalsContact C-N 3.33Å; S26-M28 PolarHBondContact O-N 2.95Å; M28-V30 VanDerWaalsContact C-N 3.3Å; M28-V30 PolarHBondContact O-N 3.1Å; M28-M31 HydrophobicContact CG-CE 4.37Å; M28-M31 PolarHBondContact O-N 2.84Å; M28-E32 WeakPolarHBondContact O-CG 3.25Å; M28-E32 PolarHBondContact O-N 3.05Å
29A84.1Confident85.8Confident57 Ų5797.4 Ų97.447%0.47149%0.494SS..Hα-helixtrans-62.9-37.6178.300000112.2K25 S26 H33K25-A29 PolarHBondContact O-N 3.48Å; K25-A29 VanDerWaalsContact O-N 3.11Å; S26-A29 PolarHBondContact O-N 3.03Å; A29-H33 PolarHBondContact O-N 3.24Å; A29-H33 VanDerWaalsContact O-N 3.16Å
30V82.3Confident84.8Confident91 Ų9195.5 Ų95.555%0.55249%0.49SS*.Hα-helixtrans-65.1-47.3174.2174.70000110.8S26 D27 M28 E32 H33 E34S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 3.33Å; S26-V30 VanDerWaalsContact O-N 3.11Å; D27-V30 PolarHBondContact O-N 3.34Å; M28-V30 VanDerWaalsContact C-N 3.3Å; M28-V30 PolarHBondContact O-N 3.1Å; V30-E32 PolarHBondContact O-N 3.34Å; V30-H33 WeakPolarHBondContact O-CB 3.42Å; V30-H33 PolarHBondContact O-N 2.83Å; V30-E34 PolarHBondContact O-N 3.06Å
31M86.8Confident83.6Confident108 Ų10896 Ų9653%0.53249%0.489SS..Hα-helixtrans-63.8-39.9178.3-73.2-170.2-67.800112.8D27 M28 H33 E34 M35D27-M31 WeakPolarHBondContact O-CG 3.47Å; D27-M31 PolarHBondContact O-N 3.01Å; M28-M31 HydrophobicContact CG-CE 4.37Å; M28-M31 PolarHBondContact O-N 2.84Å; M31-H33 VanDerWaalsContact C-N 3.3Å; M31-H33 PolarHBondContact O-N 2.87Å; M31-E34 PolarHBondContact O-N 3.49Å; M31-M35 WeakPolarHBondContact O-CG 3.38Å; M31-M35 PolarHBondContact O-N 3.4Å
32E80Confident83Confident100 Ų10096.7 Ų96.747%0.46749%0.492SS..Hα-helixtrans-61.1-40.1174.9-78.4-176.9-178.500112M28 V30 K36M28-E32 WeakPolarHBondContact O-CG 3.25Å; M28-E32 PolarHBondContact O-N 3.05Å; V30-E32 PolarHBondContact O-N 3.34Å; E32-K36 WeakPolarHBondContact O-CG 3.19Å; E32-K36 PolarHBondContact O-N 2.88Å; E32-K36 VanDerWaalsContact O-N 3.09Å
33H78.4Confident82.2Confident134 Ų13494.3 Ų94.362%0.6248%0.484SS*.Hα-helixtrans-65.2-42.8174.9-174.6-86000111.3A29 V30 M31 K36 R37A29-H33 PolarHBondContact O-N 3.24Å; A29-H33 VanDerWaalsContact O-N 3.16Å; V30-H33 WeakPolarHBondContact O-CB 3.42Å; V30-H33 PolarHBondContact O-N 2.83Å; M31-H33 VanDerWaalsContact C-N 3.3Å; M31-H33 PolarHBondContact O-N 2.87Å; H33-K36 PolarHBondContact O-N 2.78Å; H33-R37 PolarHBondContact O-N 3.07Å
34E71.5Confident81.5Confident87 Ų8793.4 Ų93.441%0.40749%0.488SS..Hα-helixtrans-63.9-41.9176.3-177.2160.2-143.400112.7V30 M31 K36 R37 L38V30-E34 PolarHBondContact O-N 3.06Å; M31-E34 PolarHBondContact O-N 3.49Å; E34-K36 PolarHBondContact O-N 3.48Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 PolarHBondContact O-N 3.33Å; E34-R37 IonicContact OE1-NH2 3.68Å; E34-R37 PolarHBondContact OE1-NH2 3.17Å; E34-L38 HydrophobicContact CG-CD1 4.23Å; E34-L38 HydrophobicContact CG-CG 4.48Å; E34-L38 WeakPolarHBondContact O-CG 3.31Å; E34-L38 PolarHBondContact O-N 2.73Å
35M81.5Confident80.7Confident122 Ų12294.4 Ų94.460%0.60149%0.492SS*.Hα-helixtrans-59.6-47.1174.1-74.5-156-52.500111.7M31 R37 L38 T39M31-M35 WeakPolarHBondContact O-CG 3.38Å; M31-M35 PolarHBondContact O-N 3.4Å; M35-R37 VanDerWaalsContact C-N 3.26Å; M35-R37 PolarHBondContact O-N 3.2Å; M35-L38 PolarHBondContact O-N 3.03Å; M35-T39 PolarHBondContact O-N 2.9Å; M35-T39 PolarHBondContact O-OG1 2.95Å
36K77.8Confident80.3Confident139 Ų13993 Ų9360%0.60449%0.488SS*.Hα-helixtrans-58.6-39.7176.8-75.1173.1-178169.70112E32 H33 E34 S40E32-K36 WeakPolarHBondContact O-CG 3.19Å; E32-K36 PolarHBondContact O-N 2.88Å; E32-K36 VanDerWaalsContact O-N 3.09Å; H33-K36 PolarHBondContact O-N 2.78Å; E34-K36 PolarHBondContact O-N 3.48Å; K36-S40 PolarHBondContact O-N 3.46Å; K36-S40 VanDerWaalsContact O-N 3.12Å; K36-S40 PolarHBondContact O-OG 3.1Å
37R71.5Confident80.2Confident93 Ų9395.6 Ų95.635%0.35149%0.49SS..Hα-helixtrans-63.4-48.8175.4-172.8-179.367.6138.9-2.1111.4H33 E34 M35 T39 S40 R41 N228H33-R37 PolarHBondContact O-N 3.07Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 PolarHBondContact O-N 3.33Å; E34-R37 IonicContact OE1-NH2 3.68Å; E34-R37 PolarHBondContact OE1-NH2 3.17Å; M35-R37 VanDerWaalsContact C-N 3.26Å; M35-R37 PolarHBondContact O-N 3.2Å; R37-T39 PolarHBondContact O-N 3.47Å; R37-S40 PolarHBondContact O-N 3.35Å; R37-R41 PolarHBondContact O-N 2.88Å; R37-N228 PolarHBondContact NH1-OD1 3.46Å
38L74.1Confident80Confident78 Ų7896 Ų9641%0.40850%0.498SS..Hα-helixtrans-62.5-42.1178.3-71.5173.3000112.3E34 M35 S40 R41 I42E34-L38 HydrophobicContact CG-CD1 4.23Å; E34-L38 HydrophobicContact CG-CG 4.48Å; E34-L38 WeakPolarHBondContact O-CG 3.31Å; E34-L38 PolarHBondContact O-N 2.73Å; M35-L38 PolarHBondContact O-N 3.03Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.41Å; L38-R41 PolarHBondContact O-N 3.24Å; L38-I42 WeakPolarHBondContact O-CG1 3.34Å; L38-I42 PolarHBondContact O-N 2.9Å
39T79.1Confident79.9Confident102 Ų10298.3 Ų98.363%0.62650%0.501SS*.Hα-helixtrans-58.5-42.9174.7-57.50000111.6M35 R37 I42 G43M35-T39 PolarHBondContact O-N 2.9Å; M35-T39 PolarHBondContact O-OG1 2.95Å; R37-T39 PolarHBondContact O-N 3.47Å; T39-I42 PolarHBondContact O-N 3.36Å; T39-G43 PolarHBondContact O-N 3Å
40S73Confident80.2Confident79 Ų79101.5 Ų101.555%0.55251%0.506SS*.Hα-helixtrans-64.8-40.7177.1-55.70000111.9K36 R37 L38 G43 L44K36-S40 PolarHBondContact O-N 3.46Å; K36-S40 VanDerWaalsContact O-N 3.12Å; K36-S40 PolarHBondContact O-OG 3.1Å; R37-S40 PolarHBondContact O-N 3.35Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.41Å; S40-G43 PolarHBondContact O-N 3.48Å; S40-L44 PolarHBondContact O-N 2.73Å; S40-L44 VanDerWaalsContact O-N 3.17Å
41R70.8Confident80.5Confident87 Ų8799.9 Ų99.933%0.32850%0.497SS..Hα-helixtrans-63.6-43.2177-172.8176.2-178.3-1732.6112.3R37 L38 G43 L44 I45 A225R37-R41 PolarHBondContact O-N 2.88Å; L38-R41 PolarHBondContact O-N 3.24Å; R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.15Å; R41-L44 PolarHBondContact O-N 2.82Å; R41-I45 HydrophobicContact CG-CD1 3.91Å; R41-I45 HydrophobicContact CG-CG1 4.46Å; R41-I45 WeakPolarHBondContact O-CG1 3.29Å; R41-I45 PolarHBondContact O-N 2.93Å; R41-A225 PolarHBondContact NH2-O 3.38Å
42I83.6Confident80.7Confident94 Ų9498.6 Ų98.648%0.48250%0.495SS..Hα-helixtrans-57.6-43.5175.7-70.9168.3000110.3L38 T39 L44 I45 Q46L38-I42 WeakPolarHBondContact O-CG1 3.34Å; L38-I42 PolarHBondContact O-N 2.9Å; T39-I42 PolarHBondContact O-N 3.36Å; I42-L44 PolarHBondContact O-N 2.99Å; I42-I45 PolarHBondContact O-N 2.86Å; I42-Q46 HydrophobicContact CG2-CG 4.35Å; I42-Q46 WeakPolarHBondContact O-CB 3.37Å; I42-Q46 VanDerWaalsContact O-CG 3.25Å; I42-Q46 WeakPolarHBondContact O-CG 3.2Å; I42-Q46 PolarHBondContact O-N 2.88Å
43G78.6Confident81.3Confident34 Ų3498 Ų9835%0.35149%0.492SS..Hα-helixtrans-62.2-40.2177.100000113.8T39 S40 R41 K47T39-G43 PolarHBondContact O-N 3Å; S40-G43 PolarHBondContact O-N 3.48Å; R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.15Å; G43-K47 PolarHBondContact O-N 3.09Å; G43-K47 VanDerWaalsContact O-N 3.07Å
44L78.9Confident81.9Confident109 Ų10996.7 Ų96.757%0.57149%0.488SS*.Hα-helixtrans-66.8-44.1175.7-69.1175.2000112.2S40 R41 I42 Q46 K47 S48S40-L44 PolarHBondContact O-N 2.73Å; S40-L44 VanDerWaalsContact O-N 3.17Å; R41-L44 PolarHBondContact O-N 2.82Å; I42-L44 PolarHBondContact O-N 2.99Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 3.07Å; L44-K47 PolarHBondContact O-N 2.62Å; L44-S48 WeakPolarHBondContact O-CB 3.08Å; L44-S48 PolarHBondContact O-N 3.47Å
45I79.8Confident82.8Confident98 Ų9895.7 Ų95.750%0.50348%0.483SS..Hα-helixtrans-62-42.4177.1-69.1170.5000110.4R41 I42 S48 R49R41-I45 HydrophobicContact CG-CD1 3.91Å; R41-I45 HydrophobicContact CG-CG1 4.46Å; R41-I45 WeakPolarHBondContact O-CG1 3.29Å; R41-I45 PolarHBondContact O-N 2.93Å; I42-I45 PolarHBondContact O-N 2.86Å; I45-S48 PolarHBondContact O-N 2.97Å; I45-R49 VanDerWaalsContact O-CB 3.31Å; I45-R49 WeakPolarHBondContact O-CB 3.32Å; I45-R49 PolarHBondContact O-N 3.13Å
46Q85.2Confident83.3Confident106 Ų10692.3 Ų92.350%0.49548%0.475SS..Hα-helixtrans-60.1-48176.1-76.7171.7-18.600111.6I42 L44 S48 R49 E50I42-Q46 HydrophobicContact CG2-CG 4.35Å; I42-Q46 WeakPolarHBondContact O-CB 3.37Å; I42-Q46 VanDerWaalsContact O-CG 3.25Å; I42-Q46 WeakPolarHBondContact O-CG 3.2Å; I42-Q46 PolarHBondContact O-N 2.88Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 3.07Å; Q46-S48 VanDerWaalsContact C-N 3.34Å; Q46-S48 PolarHBondContact O-N 3.17Å; Q46-R49 WeakPolarHBondContact O-CB 3.32Å; Q46-R49 PolarHBondContact O-N 2.87Å; Q46-E50 WeakPolarHBondContact O-CG 3.44Å; Q46-E50 PolarHBondContact O-N 2.91Å
47K85.9Confident84.2Confident122 Ų12289.3 Ų89.353%0.5347%0.471SS..Hα-helixtrans-62.3-40177.6-171.7177.2-178.9-178.80112.8G43 L44 T51G43-K47 PolarHBondContact O-N 3.09Å; G43-K47 VanDerWaalsContact O-N 3.07Å; L44-K47 PolarHBondContact O-N 2.62Å; K47-T51 PolarHBondContact O-N 2.72Å; K47-T51 PolarHBondContact O-OG1 3.42Å
48S84.9Confident85.2Confident71 Ų7190.7 Ų90.750%0.49748%0.481SS..Hα-helixtrans-64.5-43.8175.7-177.90000111.6L44 I45 Q46 T51 T52L44-S48 WeakPolarHBondContact O-CB 3.08Å; L44-S48 PolarHBondContact O-N 3.47Å; I45-S48 PolarHBondContact O-N 2.97Å; Q46-S48 VanDerWaalsContact C-N 3.34Å; Q46-S48 PolarHBondContact O-N 3.17Å; S48-T51 PolarHBondContact O-N 3.42Å; S48-T52 PolarHBondContact O-N 2.87Å; S48-T52 PolarHBondContact O-OG1 2.72Å
49R90.2Very high86.2Confident154 Ų15490.6 Ų90.658%0.58148%0.484SS*.Hα-helixtrans-59.4-50.4174.7178.5-176.7168.7-147.8-12.5111.3I45 Q46 T51 T52 E53I45-R49 VanDerWaalsContact O-CB 3.31Å; I45-R49 WeakPolarHBondContact O-CB 3.32Å; I45-R49 PolarHBondContact O-N 3.13Å; Q46-R49 WeakPolarHBondContact O-CB 3.32Å; Q46-R49 PolarHBondContact O-N 2.87Å; R49-T51 VanDerWaalsContact C-N 3.29Å; R49-T51 PolarHBondContact O-N 3Å; R49-T52 PolarHBondContact O-N 3.23Å; R49-T52 VanDerWaalsContact O-N 3.1Å; R49-E53 HydrophobicContact CG-CG 4.29Å; R49-E53 IonicContact CZ-OE1 3.03Å; R49-E53 IonicContact NE-OE1 2.65Å; R49-E53 PolarHBondContact NE-OE1 2.9Å; R49-E53 IonicContact NH2-OE1 2.72Å; R49-E53 PolarHBondContact NH2-OE1 3.12Å; R49-E53 IonicContact NH2-OE2 3.09Å; R49-E53 WeakPolarHBondContact O-CB 3.39Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 2.9Å
50E91.5Very high86.9Confident123 Ų12391.5 Ų91.558%0.57548%0.484SS*.Hα-helixtrans-56.8-42.6177.5-73.2168.3-171.600111.9Q46 E53 M54Q46-E50 WeakPolarHBondContact O-CG 3.44Å; Q46-E50 PolarHBondContact O-N 2.91Å; E50-E53 PolarHBondContact O-N 3.3Å; E50-M54 WeakPolarHBondContact O-CB 3.47Å; E50-M54 PolarHBondContact O-N 2.81Å
51T88.4Confident87.9Confident58 Ų5891.6 Ų91.636%0.35649%0.485SS..Hα-helixtrans-63.9-42.4176.8-54.70000111.5K47 S48 R49 M54 Q55K47-T51 PolarHBondContact O-N 2.72Å; K47-T51 PolarHBondContact O-OG1 3.42Å; S48-T51 PolarHBondContact O-N 3.42Å; R49-T51 VanDerWaalsContact C-N 3.29Å; R49-T51 PolarHBondContact O-N 3Å; T51-M54 PolarHBondContact O-N 2.83Å; T51-Q55 WeakPolarHBondContact O-CG 3.31Å; T51-Q55 PolarHBondContact O-N 2.96Å
52T89.3Confident89.1Confident80 Ų8093 Ų9349%0.49150%0.496SS..Hα-helixtrans-69.4-40.2179.9-54.60000111.7S48 R49 M54 Q55 A56S48-T52 PolarHBondContact O-N 2.87Å; S48-T52 PolarHBondContact O-OG1 2.72Å; R49-T52 PolarHBondContact O-N 3.23Å; R49-T52 VanDerWaalsContact O-N 3.1Å; T52-M54 VanDerWaalsContact C-N 3.34Å; T52-Q55 PolarHBondContact O-N 3.28Å; T52-A56 WeakPolarHBondContact O-CB 3.4Å; T52-A56 PolarHBondContact O-N 3.03Å
53E92.7Very high89.5Confident88 Ų8893 Ų9341%0.41150%0.496SS..Hα-helixtrans-64.3-38.6175.8-74.5177.216900111.8R49 E50 A56 S57R49-E53 HydrophobicContact CG-CG 4.29Å; R49-E53 IonicContact CZ-OE1 3.03Å; R49-E53 IonicContact NE-OE1 2.65Å; R49-E53 PolarHBondContact NE-OE1 2.9Å; R49-E53 IonicContact NH2-OE1 2.72Å; R49-E53 PolarHBondContact NH2-OE1 3.12Å; R49-E53 IonicContact NH2-OE2 3.09Å; R49-E53 WeakPolarHBondContact O-CB 3.39Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 2.9Å; E50-E53 PolarHBondContact O-N 3.3Å; E53-A56 PolarHBondContact O-N 2.95Å; E53-S57 WeakPolarHBondContact O-CB 3.27Å; E53-S57 PolarHBondContact O-N 3.12Å; E53-S57 PolarHBondContact O-OG 3.34Å
54M92.6Very high90.3Very high106 Ų10698.5 Ų98.552%0.52251%0.511SS..Hα-helixtrans-63.3-48.7172.6179170.446.800111.4E50 T51 T52 A56 S57 E58E50-M54 WeakPolarHBondContact O-CB 3.47Å; E50-M54 PolarHBondContact O-N 2.81Å; T51-M54 PolarHBondContact O-N 2.83Å; T52-M54 VanDerWaalsContact C-N 3.34Å; M54-A56 VanDerWaalsContact C-N 3.33Å; M54-A56 PolarHBondContact O-N 3.01Å; M54-S57 WeakPolarHBondContact O-CB 3.47Å; M54-S57 PolarHBondContact O-N 3.2Å; M54-S57 VanDerWaalsContact O-N 3.11Å; M54-E58 PolarHBondContact O-N 3.45Å
55Q90Very high91Very high67 Ų6798.2 Ų98.231%0.31351%0.506SS..Hα-helixtrans-60-42176.3-73.5-179.4-12.900112.3T51 T52 S57 E58 V59T51-Q55 WeakPolarHBondContact O-CG 3.31Å; T51-Q55 PolarHBondContact O-N 2.96Å; T52-Q55 PolarHBondContact O-N 3.28Å; Q55-S57 VanDerWaalsContact C-N 3.28Å; Q55-S57 PolarHBondContact O-N 3.23Å; Q55-E58 PolarHBondContact O-N 2.95Å; Q55-V59 WeakPolarHBondContact O-CG2 3.48Å; Q55-V59 PolarHBondContact O-N 3.4Å
56A92.3Very high91.7Very high51 Ų5197.8 Ų97.842%0.42150%0.504SS..Hα-helixtrans-61.8-37.6176.100000111.8T52 E53 M54 L60T52-A56 WeakPolarHBondContact O-CB 3.4Å; T52-A56 PolarHBondContact O-N 3.03Å; E53-A56 PolarHBondContact O-N 2.95Å; M54-A56 VanDerWaalsContact C-N 3.33Å; M54-A56 PolarHBondContact O-N 3.01Å; A56-L60 VanDerWaalsContact O-CG 3.32Å; A56-L60 WeakPolarHBondContact O-CG 3.38Å; A56-L60 PolarHBondContact O-N 3.19Å
57S95.1Very high92.2Very high75 Ų7599 Ų9952%0.52451%0.508SS..Hα-helixtrans-68.1-40.5177-58.70000112.5E53 M54 Q55 L60 S61E53-S57 WeakPolarHBondContact O-CB 3.27Å; E53-S57 PolarHBondContact O-N 3.12Å; E53-S57 PolarHBondContact O-OG 3.34Å; M54-S57 WeakPolarHBondContact O-CB 3.47Å; M54-S57 PolarHBondContact O-N 3.2Å; M54-S57 VanDerWaalsContact O-N 3.11Å; Q55-S57 VanDerWaalsContact C-N 3.28Å; Q55-S57 PolarHBondContact O-N 3.23Å; S57-L60 PolarHBondContact O-N 2.88Å; S57-S61 PolarHBondContact O-N 3.14Å
58E93.6Very high92.6Very high122 Ų12297.9 Ų97.957%0.5751%0.507SS*.Hα-helixtrans-60.6-48.6174.3-71.2173.1176.400111.2M54 Q55 L60 S61 E62M54-E58 PolarHBondContact O-N 3.45Å; Q55-E58 PolarHBondContact O-N 2.95Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.96Å; E58-S61 WeakPolarHBondContact O-CB 3.19Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 VanDerWaalsContact O-N 3.12Å; E58-E62 PolarHBondContact O-N 3.18Å
59V93.8Very high93Very high77 Ų77100.1 Ų100.147%0.46751%0.508SS..Hα-helixtrans-61.8-39.8178171.30000111.9Q55 S61 E62 N63Q55-V59 WeakPolarHBondContact O-CG2 3.48Å; Q55-V59 PolarHBondContact O-N 3.4Å; V59-S61 VanDerWaalsContact C-N 3.33Å; V59-S61 PolarHBondContact O-N 3.5Å; V59-E62 PolarHBondContact O-N 3.24Å; V59-N63 WeakPolarHBondContact O-CB 3.27Å; V59-N63 PolarHBondContact O-N 2.9Å; V59-N63 PolarHBondContact O-ND2 3.06Å
60L95Very high93.1Very high121 Ų12198.5 Ų98.563%0.63451%0.511SS*.Hα-helixtrans-63.5-39.1175-76.8172000112.2A56 S57 E58 K64A56-L60 VanDerWaalsContact O-CG 3.32Å; A56-L60 WeakPolarHBondContact O-CG 3.38Å; A56-L60 PolarHBondContact O-N 3.19Å; S57-L60 PolarHBondContact O-N 2.88Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.96Å; L60-K64 PolarHBondContact O-N 2.85Å; L60-K64 VanDerWaalsContact O-N 3.09Å
61S93.9Very high93.1Very high81 Ų8196.5 Ų96.557%0.56650%0.501SS*.Hα-helixtrans-66.5-45.5176.1-172.70000111.7S57 E58 V59 N63 K64 E65S57-S61 PolarHBondContact O-N 3.14Å; E58-S61 WeakPolarHBondContact O-CB 3.19Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 VanDerWaalsContact O-N 3.12Å; V59-S61 VanDerWaalsContact C-N 3.33Å; V59-S61 PolarHBondContact O-N 3.5Å; S61-N63 PolarHBondContact O-N 3.13Å; S61-K64 WeakPolarHBondContact O-CB 3.33Å; S61-K64 PolarHBondContact O-N 3.4Å; S61-E65 PolarHBondContact O-N 2.94Å
62E95.1Very high93.2Very high117 Ų11796.2 Ų96.255%0.54750%0.501SS..Hα-helixtrans-60.8-45176.5-174.3178.6-174.600111.4E58 V59 K64 E65 L66E58-E62 PolarHBondContact O-N 3.18Å; V59-E62 PolarHBondContact O-N 3.24Å; E62-K64 VanDerWaalsContact C-N 3.27Å; E62-K64 PolarHBondContact O-N 2.63Å; E62-E65 PolarHBondContact O-N 2.84Å; E62-E65 VanDerWaalsContact O-N 3.11Å; E62-L66 HydrophobicContact CG-CD1 4.14Å; E62-L66 HydrophobicContact CG-CG 4.46Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 3.22Å
63N92.8Very high93.2Very high92 Ų9295.7 Ų95.749%0.49250%0.495SS..Hα-helixtrans-58.9-38.2175.2-84.8-34.7000112.4V59 S61 K67V59-N63 WeakPolarHBondContact O-CB 3.27Å; V59-N63 PolarHBondContact O-N 2.9Å; V59-N63 PolarHBondContact O-ND2 3.06Å; S61-N63 PolarHBondContact O-N 3.13Å; N63-K67 WeakPolarHBondContact O-CB 3.47Å; N63-K67 PolarHBondContact O-N 2.92Å
64K94.9Very high93Very high151 Ų15196 Ų9666%0.65750%0.5SS*.Hα-helixtrans-65.6-41.6175.6-172.4-180178.5-177.90111.7L60 S61 E62 K67 L68L60-K64 PolarHBondContact O-N 2.85Å; L60-K64 VanDerWaalsContact O-N 3.09Å; S61-K64 WeakPolarHBondContact O-CB 3.33Å; S61-K64 PolarHBondContact O-N 3.4Å; E62-K64 VanDerWaalsContact C-N 3.27Å; E62-K64 PolarHBondContact O-N 2.63Å; K64-K67 PolarHBondContact O-N 2.85Å; K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.42Å; K64-L68 VanDerWaalsContact O-N 3.12Å
65E94.8Very high92.6Very high103 Ų10397.7 Ų97.748%0.48150%0.5SS..Hα-helixtrans-66-45176.7-169.1-173.9156.300111.8S61 E62 K67 L68 K69S61-E65 PolarHBondContact O-N 2.94Å; E62-E65 PolarHBondContact O-N 2.84Å; E62-E65 VanDerWaalsContact O-N 3.11Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 2.79Å; E65-L68 PolarHBondContact O-N 3.13Å; E65-K69 WeakPolarHBondContact O-CG 3.43Å; E65-K69 PolarHBondContact O-N 3.21Å; E65-K69 WeakPolarHBondContact OE1-CE 3.22Å; E65-K69 IonicContact OE1-NZ 3.79Å; E65-K69 PolarHBondContact OE1-NZ 2.74Å
66L94.9Very high92.3Very high88 Ų88101.7 Ų101.746%0.46151%0.512SS..Hα-helixtrans-60.4-41.1176.1-73173.1000111.5E62 K69 L70E62-L66 HydrophobicContact CG-CD1 4.14Å; E62-L66 HydrophobicContact CG-CG 4.46Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 3.22Å; L66-K69 PolarHBondContact O-N 2.66Å; L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 PolarHBondContact O-N 3.02Å
67K95Very high91.6Very high133 Ų133106 Ų10658%0.57852%0.522SS*.Hα-helixtrans-61.5-43.8175.2-169.5173.7-179.3177.70112.2N63 K64 E65 L70 E71N63-K67 WeakPolarHBondContact O-CB 3.47Å; N63-K67 PolarHBondContact O-N 2.92Å; K64-K67 PolarHBondContact O-N 2.85Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 2.79Å; K67-L70 PolarHBondContact O-N 3.07Å; K67-E71 WeakPolarHBondContact O-CG 2.89Å; K67-E71 PolarHBondContact O-N 2.71Å
68L94Very high90.7Very high98 Ų98109.5 Ų109.551%0.51353%0.53SS..Hα-helixtrans-64.2-40.7175.7-72.3171.3000112.5K64 E65 E71 S72K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.42Å; K64-L68 VanDerWaalsContact O-N 3.12Å; E65-L68 PolarHBondContact O-N 3.13Å; L68-E71 PolarHBondContact O-N 2.72Å; L68-S72 PolarHBondContact O-N 2.65Å
69K93Very high89.5Confident117 Ų117110 Ų11051%0.50954%0.537SS..Hα-helixtrans-62.6-43174.6-74.7176-176.9165.60111.3E65 L66 S72 L73E65-K69 WeakPolarHBondContact O-CG 3.43Å; E65-K69 PolarHBondContact O-N 3.21Å; E65-K69 WeakPolarHBondContact OE1-CE 3.22Å; E65-K69 IonicContact OE1-NZ 3.79Å; E65-K69 PolarHBondContact OE1-NZ 2.74Å; L66-K69 PolarHBondContact O-N 2.66Å; K69-S72 PolarHBondContact O-N 2.86Å; K69-L73 WeakPolarHBondContact O-CB 3.49Å; K69-L73 PolarHBondContact O-N 2.82Å
70L91.8Very high87.8Confident121 Ų121109.5 Ų109.563%0.63454%0.536SS*.Hα-helixtrans-62.4-45.8177-173.465.5000111.4L66 K67 S72 L73 N74L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 PolarHBondContact O-N 3.02Å; K67-L70 PolarHBondContact O-N 3.07Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.79Å; L70-L73 PolarHBondContact O-N 3.03Å; L70-N74 WeakPolarHBondContact O-CB 3.4Å; L70-N74 PolarHBondContact O-N 2.92Å
71E92.6Very high85.8Confident81 Ų81109.9 Ų109.938%0.37955%0.546SS..Hα-helixtrans-60.4-41.2175-73.9173.7-167.400112.2K67 L68 R75K67-E71 WeakPolarHBondContact O-CG 2.89Å; K67-E71 PolarHBondContact O-N 2.71Å; L68-E71 PolarHBondContact O-N 2.72Å; E71-R75 PolarHBondContact O-N 2.8Å
72S89.7Confident83.7Confident51 Ų51112.7 Ų112.736%0.35755%0.553SS.*Hα-helixtrans-67-37.7175.9-177.20000113L68 K69 L70 R76L68-S72 PolarHBondContact O-N 2.65Å; K69-S72 PolarHBondContact O-N 2.86Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.79Å; S72-R76 WeakPolarHBondContact O-CG 3.42Å; S72-R76 PolarHBondContact O-N 2.93Å
73L89.3Confident81.4Confident69 Ų69115.3 Ų115.336%0.36157%0.57SS.*Hα-helixtrans-69-43.5177.3-174.165.3000110.4K69 L70 R75 R76 F77K69-L73 WeakPolarHBondContact O-CB 3.49Å; K69-L73 PolarHBondContact O-N 2.82Å; L70-L73 PolarHBondContact O-N 3.03Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 3.22Å; L73-R76 VanDerWaalsContact CD1-NH2 3.29Å; L73-R76 PolarHBondContact O-N 3.47Å; L73-R76 VanDerWaalsContact O-N 3.16Å; L73-F77 HydrophobicContact CD1-CD2 4.26Å; L73-F77 HydrophobicContact CD1-CE2 3.87Å; L73-F77 HydrophobicContact CD2-CE2 4.11Å; L73-F77 HydrophobicContact CG-CD2 3.92Å; L73-F77 HydrophobicContact CG-CE2 3.68Å; L73-F77 VanDerWaalsContact O-CD2 3.29Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 2.87Å
74N88.4Confident79.5Confident96 Ų96118 Ų11851%0.51359%0.585SS.*Hα-helixtrans-59.8-42.2176-167.354.5000112L70 R76 F77 Q78L70-N74 WeakPolarHBondContact O-CB 3.4Å; L70-N74 PolarHBondContact O-N 2.92Å; N74-R76 PolarHBondContact O-N 2.82Å; N74-F77 PolarHBondContact O-N 3.5Å; N74-Q78 WeakPolarHBondContact O-CG 3.43Å; N74-Q78 PolarHBondContact O-N 3.33Å; N74-Q78 VanDerWaalsContact O-N 3.14Å
75R85.3Confident76.9Confident140 Ų140119 Ų11953%0.52859%0.591SS.*Hα-helixtrans-58.8-45.8172.6-78.9-170.5-74.6-98-1.6112.6E71 L73 F77 Q78 D79E71-R75 PolarHBondContact O-N 2.8Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 3.22Å; R75-F77 VanDerWaalsContact C-N 3.3Å; R75-F77 PolarHBondContact O-N 3.37Å; R75-Q78 PolarHBondContact O-N 3.5Å; R75-Q78 VanDerWaalsContact O-N 3.09Å; R75-D79 PolarHBondContact O-N 2.92Å
76R83Confident74.3Confident151 Ų151121.1 Ų121.157%0.5761%0.606SS**Hα-helixtrans-63.2-33.2177.7-74.2-174-68.6169-3.5113.6S72 L73 N74 S80S72-R76 WeakPolarHBondContact O-CG 3.42Å; S72-R76 PolarHBondContact O-N 2.93Å; L73-R76 VanDerWaalsContact CD1-NH2 3.29Å; L73-R76 PolarHBondContact O-N 3.47Å; L73-R76 VanDerWaalsContact O-N 3.16Å; N74-R76 PolarHBondContact O-N 2.82Å; R76-S80 WeakPolarHBondContact O-CB 3.39Å; R76-S80 PolarHBondContact O-N 3.43Å; R76-S80 VanDerWaalsContact O-N 3.15Å; R76-S80 PolarHBondContact O-OG 3.24Å
77F78.2Confident71.8Confident143 Ų143122 Ų12263%0.62762%0.617SS**Hα-helixtrans-68-35.5173.5-86.9-69.1000112.1L73 N74 R75L73-F77 HydrophobicContact CD1-CD2 4.26Å; L73-F77 HydrophobicContact CD1-CE2 3.87Å; L73-F77 HydrophobicContact CD2-CE2 4.11Å; L73-F77 HydrophobicContact CG-CD2 3.92Å; L73-F77 HydrophobicContact CG-CE2 3.68Å; L73-F77 VanDerWaalsContact O-CD2 3.29Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 2.87Å; N74-F77 PolarHBondContact O-N 3.5Å; R75-F77 VanDerWaalsContact C-N 3.3Å; R75-F77 PolarHBondContact O-N 3.37Å
78Q75Confident69.2Low147 Ų147121.2 Ų121.269%0.68762%0.623SS**Hα-helixtrans-73.5-34.7176-64-70.6-28.200112.7N74 R75N74-Q78 WeakPolarHBondContact O-CG 3.43Å; N74-Q78 PolarHBondContact O-N 3.33Å; N74-Q78 VanDerWaalsContact O-N 3.14Å; R75-Q78 PolarHBondContact O-N 3.5Å; R75-Q78 VanDerWaalsContact O-N 3.09Å
79D68.4Low66.6Low134 Ų134123.8 Ų123.872%0.71763%0.633SS**Hα-helixtrans-85.4-10.8-178.4-67-27000113.8R75R75-D79 PolarHBondContact O-N 2.92Å
80S58.2Low64Low65 Ų65123.1 Ų123.146%0.45564%0.638SS.*SBendtrans-77.9128.5178.4-69.10000109.6R76 I82R76-S80 WeakPolarHBondContact O-CB 3.39Å; R76-S80 PolarHBondContact O-N 3.43Å; R76-S80 VanDerWaalsContact O-N 3.15Å; R76-S80 PolarHBondContact O-OG 3.24Å; S80-I82 PolarHBondContact O-N 3.09Å
81P53.2Low61.4Low129 Ų129123.5 Ų123.584%0.83864%0.636SS**  trans-61.5114.5179.225.6-32.2000109L83P81-L83 PolarHBondContact O-N 3.16Å; P81-L83 VanDerWaalsContact O-N 3.13Å
82I49.4Very low58.8Low140 Ų140128.6 Ų128.672%0.71866%0.657SS**  trans-58.3112.8-179.5-59.6165.1000107.9S80S80-I82 PolarHBondContact O-N 3.09Å
83L48.4Very low56.2Low173 Ų173132.6 Ų132.691%0.90667%0.67SS**  trans-71.3123.8147.2-85165000105.8P81 E85P81-L83 PolarHBondContact O-N 3.16Å; P81-L83 VanDerWaalsContact O-N 3.13Å; L83-E85 PolarHBondContact O-N 3.49Å
84D51.2Low53.8Low148 Ų148136.7 Ų136.779%0.79169%0.693SS**  trans-33125.4-176.8-75.9-45.1000114.9N86D84-N86 PolarHBondContact O-N 2.86Å
85E41.5Very low51.3Low171 Ų171137.4 Ų137.480%0.79970%0.701SS**  trans16.198.3142.7-57.7-177-177.300117L83L83-E85 PolarHBondContact O-N 3.49Å
86N40Very low49Very low148 Ų148137.7 Ų137.779%0.79171%0.711SS**  trans-123.3112.3137.6-123-15.7000106.8D84 V88D84-N86 PolarHBondContact O-N 2.86Å; N86-V88 PolarHBondContact O-N 3.22Å
87P41.7Very low46.6Very low106 Ų106135.7 Ų135.769%0.68872%0.721SS**  trans-72.387.217730.1-30.6000107.4H89P87-H89 PolarHBondContact O-N 3.49Å
88V41Very low44.6Very low117 Ų117135.1 Ų135.171%0.70973%0.728SS**  trans-73.386.5154.7-172.70000104.8N86 V90N86-V88 PolarHBondContact O-N 3.22Å; V88-V90 HydrophobicContact CG1-CG2 3.81Å; V88-V90 PolarHBondContact O-N 2.84Å
89H40.3Very low42.7Very low153 Ų153135.4 Ų135.471%0.70874%0.735SS**  trans-55.190.8155.6-102.4-90.8000106.2P87 H91P87-H89 PolarHBondContact O-N 3.49Å; H89-H91 PolarHBondContact O-N 2.9Å
90V38.5Very low41.3Very low103 Ų103133.8 Ų133.862%0.62473%0.734SS**  trans-7383.1158-171.80000104.2V88 F92V88-V90 HydrophobicContact CG1-CG2 3.81Å; V88-V90 PolarHBondContact O-N 2.84Å; V90-F92 VanDerWaalsContact C-N 3.34Å; V90-F92 HydrophobicContact CG1-CE2 4.46Å; V90-F92 PolarHBondContact O-N 2.73Å
91H36.2Very low40.1Very low128 Ų128138.1 Ų138.159%0.59375%0.752SS**  trans-55.9108.9155.8-101.2-62.7000105.6H89 E93H89-H91 PolarHBondContact O-N 2.9Å; H91-E93 HydrophobicContact CB-CG 4.11Å; H91-E93 PolarHBondContact O-N 3.18Å
92F37.7Very low39.3Very low188 Ų188140.9 Ų140.983%0.82576%0.756SS**  trans-65.377.5149.6-79.4-88.6000105.3V90 D94V90-F92 VanDerWaalsContact C-N 3.34Å; V90-F92 HydrophobicContact CG1-CE2 4.46Å; V90-F92 PolarHBondContact O-N 2.73Å; F92-D94 PolarHBondContact O-N 2.95Å
93E36.1Very low38.5Very low135 Ų135141 Ų14163%0.63176%0.763SS**  trans-66.497.7161.9-93.4173-16500105.4H91 T95H91-E93 HydrophobicContact CB-CG 4.11Å; H91-E93 PolarHBondContact O-N 3.18Å; E93-T95 HydrophobicContact CB-CG2 4.5Å; E93-T95 PolarHBondContact O-N 3.12Å; E93-T95 PolarHBondContact O-OG1 2.99Å
94D39Very low37.8Very low156 Ų156136.4 Ų136.483%0.83476%0.758SS**  trans-49.586.4147.8-76.8-30.9000107.1F92 I96F92-D94 PolarHBondContact O-N 2.95Å; D94-I96 PolarHBondContact O-N 3.29Å
95T34.3Very low36.9Very low110 Ų110136.3 Ų136.368%0.67576%0.763SS**  trans-7870.2170.917.80000106.9E93E93-T95 HydrophobicContact CB-CG2 4.5Å; E93-T95 PolarHBondContact O-N 3.12Å; E93-T95 PolarHBondContact O-OG1 2.99Å
96I37.8Very low36.6Very low146 Ų146133.2 Ų133.275%0.74976%0.76SS**  trans-115.189.2150.1-58.4-179.2000106.1D94 V98D94-I96 PolarHBondContact O-N 3.29Å; I96-V98 HydrophobicContact CG2-CG2 4.14Å; I96-V98 PolarHBondContact O-N 3.18Å
97S31.9Very low36.2Very low110 Ų110131.2 Ų131.277%0.76976%0.758SS**  trans-67.6104.3172.2-30.70000109
98V37.7Very low35.8Very low130 Ų130137 Ų13779%0.78877%0.767SS**  trans-122.389.6159.9-175.20000107.8I96I96-V98 HydrophobicContact CG2-CG2 4.14Å; I96-V98 PolarHBondContact O-N 3.18Å
99N34Very low35.7Very low154 Ų154140.2 Ų140.282%0.82477%0.772SS**  trans-71.9127.9164.7-96.7-14.1000109
100S38.5Very low35.4Very low100 Ų100138.3 Ų138.370%0.69977%0.773SS**  149.5102.7115.7-58.50000111.6
101N33.7Very low35.2Very low155 Ų155141 Ų14183%0.82978%0.784SS**  trans37.3119.1137.4-58.7-14.9000118.8
102M37.4Very low35.2Very low187 Ų187144.1 Ų144.192%0.92180%0.799SS**  -164.3134.5115.5-87.2-101.4175.600110.2
103T31.6Very low35Very low143 Ų143143.8 Ų143.888%0.87780%0.8SS**  trans-63.7135.1-176.242.70000113.8
104G34.8Very low34.8Very low77 Ų77142.5 Ų142.579%0.79480%0.804SS**  trans-171.4103168.900000112.1
105T31.2Very low34.3Very low146 Ų146144 Ų14490%0.89681%0.806SS**  trans-57.6128175.443.50000113.3
106S34.8Very low34.2Very low106 Ų106149.7 Ų149.774%0.74182%0.815SS**  trans-162.3137.2147.2-166.30000112.1
107S33.2Very low33.8Very low106 Ų106148.1 Ų148.174%0.74182%0.817SS**PPolyproline II helixtrans-80.5126.1-175.1100.60000110.8
108Y33.1Very low33.7Very low226 Ų226148.5 Ų148.589%0.88682%0.815SS**PPolyproline II helixtrans-91.3123.6172.6-85.6-90.7000111
109K38.8Very low33.2Very low185 Ų185151.6 Ų151.680%0.80482%0.821SS**PPolyproline II helixtrans-96.7139.9159.2-77.3-174.8176.6-179.30108.3D111K109-D111 PolarHBondContact O-N 3.13Å
110P33.5Very low33Very low114 Ų114150.2 Ų150.274%0.7482%0.818SS**SBendtrans-82.3117.3-179.632.8-27.9000108.3
111D34Very low32.4Very low159 Ų159148.1 Ų148.185%0.8581%0.812SS**  trans166.378.2157.1-84.6-20.3000108.1K109K109-D111 PolarHBondContact O-N 3.13Å
112Q35.5Very low32.1Very low193 Ų193146.5 Ų146.590%0.90281%0.81SS**  trans-169.3120.9159.8-110.8165.51000109.5
113E33.7Very low31.6Very low181 Ų181145.1 Ų145.185%0.84681%0.806SS**  trans-52.8144.4170.4-75.4-179.3139.300110.4Q115E113-Q115 PolarHBondContact O-N 2.88Å
114P33.5Very low31.7Very low109 Ų109145.6 Ų145.671%0.70880%0.797SS**  trans-64.4107176-4.818.6000107.8W116P114-W116 VanDerWaalsContact O-CD1 3.23Å; P114-W116 PolarHBondContact O-N 2.5Å
115Q27.6Very low31.6Very low188 Ų188147.9 Ų147.988%0.87979%0.791SS**  trans-73.1104.8169.7-150.3175.524.700106.1E113 S117E113-Q115 PolarHBondContact O-N 2.88Å; Q115-S117 PolarHBondContact O-N 2.88Å
116W32.7Very low31.8Very low228 Ų228143.2 Ų143.286%0.86476%0.764SS**  trans-64.8102.3176.6-7054.3000107.3P114 T118P114-W116 VanDerWaalsContact O-CD1 3.23Å; P114-W116 PolarHBondContact O-N 2.5Å; W116-T118 PolarHBondContact O-N 2.69Å; W116-T118 VanDerWaalsContact O-N 3.12Å
117S29Very low32Very low113 Ų113146.2 Ų146.279%0.7976%0.763SS**  trans-73.998.8171.246.10000108.3Q115 E119Q115-S117 PolarHBondContact O-N 2.88Å; S117-E119 PolarHBondContact O-N 2.98Å
118T30.3Very low32.9Very low119 Ų119144.9 Ų144.973%0.7374%0.742SS**  trans-65.594.2169.9-42.50000108.4W116 T120W116-T118 PolarHBondContact O-N 2.69Å; W116-T118 VanDerWaalsContact O-N 3.12Å; T118-T120 VanDerWaalsContact C-N 3.3Å; T118-T120 HydrophobicContact CG2-CG2 4.18Å; T118-T120 PolarHBondContact O-N 2.95Å
119E26.8Very low33.8Very low195 Ų195135.2 Ų135.291%0.91171%0.708SS**  trans-77.286.6171.4-149.3171.9-155.500107.9S117 G121S117-E119 PolarHBondContact O-N 2.98Å; E119-G121 PolarHBondContact O-N 2.92Å; E119-G121 VanDerWaalsContact O-N 3.12Å
120T28.4Very low34.9Very low124 Ų124134.4 Ų134.476%0.76170%0.704SS**  trans-67.4101.317239.70000109.6T118T118-T120 VanDerWaalsContact C-N 3.3Å; T118-T120 HydrophobicContact CG2-CG2 4.18Å; T118-T120 PolarHBondContact O-N 2.95Å
121G27.4Very low37Very low56 Ų56132.5 Ų132.558%0.57769%0.685SS**  trans-62.8166.3162.300000111.9E119 D123E119-G121 PolarHBondContact O-N 2.92Å; E119-G121 VanDerWaalsContact O-N 3.12Å; G121-D123 PolarHBondContact O-N 2.92Å; G121-D123 VanDerWaalsContact O-N 3.13Å
122P27.5Very low39.4Very low122 Ų122124.9 Ų124.979%0.79265%0.645SS**SBendtrans-64.2117.2-162.428.5-33.4000110.6F124P122-F124 PolarHBondContact O-N 2.63Å
123D26.5Very low41.9Very low158 Ų158115.9 Ų115.985%0.84560%0.603SS**  trans30.766.2157.4-67.3-25.3000115.1G121 D125G121-D123 PolarHBondContact O-N 2.92Å; G121-D123 VanDerWaalsContact O-N 3.13Å; D123-D125 PolarHBondContact O-N 3.06Å
124F33.6Very low44.5Very low153 Ų153107.7 Ų107.767%0.67157%0.565SS**  trans-74.360.4166-124.8-90.7000109.2P122 S126P122-F124 PolarHBondContact O-N 2.63Å; F124-S126 PolarHBondContact O-N 2.88Å
125D31.6Very low47.2Very low125 Ų125104.6 Ų104.667%0.66854%0.542SS*.  trans-73.667.8170.2-157.524.4000107.2D123 K127D123-D125 PolarHBondContact O-N 3.06Å; D125-K127 PolarHBondContact O-N 3.15Å
126S35.7Very low50.2Low48 Ų48101 Ų10134%0.33652%0.524SS..  trans-65.680.7170.2-96.80000107.6F124 W128F124-S126 PolarHBondContact O-N 2.88Å; S126-W128 VanDerWaalsContact O-CD1 3.22Å; S126-W128 PolarHBondContact O-N 3.28Å
127K40.1Very low52.9Low168 Ų16891 Ų9173%0.7349%0.488SS*.  trans-60.391.9159.4-72.8-177.8-178.4176.50106.8D125 S129D125-K127 PolarHBondContact O-N 3.15Å; K127-S129 VanDerWaalsContact C-N 3.34Å; K127-S129 PolarHBondContact O-N 3.38Å
128W51.8Low55.9Low79 Ų7989.3 Ų89.330%0.29947%0.467SS..  trans-30.890.1175.3-56.279.1000111.2S126 K130 D156 D157 F158 D224 A225S126-W128 VanDerWaalsContact O-CD1 3.22Å; S126-W128 PolarHBondContact O-N 3.28Å; W128-K130 PolarHBondContact O-N 2.88Å; W128-D156 WeakPolarHBondContact CH2-O 3.41Å; W128-D156 WeakPolarHBondContact CZ3-O 3.46Å; W128-D157 HydrophobicContact CH2-CB 3.69Å; W128-D157 HydrophobicContact CZ2-CB 4.46Å; W128-F158 HydrophobicContact CE3-CD2 4.18Å; W128-F158 HydrophobicContact CE3-CE1 4.42Å; W128-F158 AromaticContact CE3-CE2 3.56Å; W128-F158 HydrophobicContact CE3-CE2 3.56Å; W128-F158 AromaticContact CE3-CZ 3.74Å; W128-F158 HydrophobicContact CE3-CZ 3.74Å; W128-F158 AromaticContact CZ3-CD2 3.64Å; W128-F158 HydrophobicContact CZ3-CD2 3.64Å; W128-F158 AromaticContact CZ3-CE2 3.49Å; W128-F158 HydrophobicContact CZ3-CE2 3.49Å; W128-F158 VanDerWaalsContact CZ3-CE2 3.49Å; W128-F158 HydrophobicContact CZ3-CG 4.25Å; W128-F158 HydrophobicContact CZ3-CZ 4.05Å; W128-D224 HydrophobicContact CD2-CB 4.29Å; W128-D224 HydrophobicContact CE3-CB 3.75Å; W128-D224 HydrophobicContact CZ3-CB 4.05Å; W128-A225 HydrophobicContact CH2-CB 3.81Å; W128-A225 HydrophobicContact CZ2-CB 3.72Å
129S51.4Low58.9Low23 Ų2385.2 Ų85.216%0.16144%0.443CS..  trans-75.1119.4-174.3860000106.4K127 H131 Q153K127-S129 VanDerWaalsContact C-N 3.34Å; K127-S129 PolarHBondContact O-N 3.38Å; S129-H131 PolarHBondContact O-N 2.76Å; S129-H131 PolarHBondContact OG-CD2 3.26Å; S129-H131 VanDerWaalsContact OG-CD2 3.3Å; S129-Q153 PolarHBondContact O-OE1 2.96Å; S129-Q153 PolarHBondContact OG-OE1 2.84Å
130K63.2Low62.1Low168 Ų16878 Ų7873%0.7341%0.411SS*.THydrogen-bonded Turntrans-67.531.2-175.3-61.2-178.8177.4-176.50113.6W128W128-K130 PolarHBondContact O-N 2.88Å
131H75.8Confident65.3Low73 Ų7374.8 Ų74.834%0.33839%0.386SS..THydrogen-bonded Turntrans-992.4-171.5-61.1-43.1000112.3S129 N147S129-H131 PolarHBondContact O-N 2.76Å; S129-H131 PolarHBondContact OG-CD2 3.26Å; S129-H131 VanDerWaalsContact OG-CD2 3.3Å; H131-N147 WeakPolarHBondContact O-CA 3.42Å; H131-N147 WeakPolarHBondContact O-CB 3.44Å; H131-N147 PolarHBondContact O-N 3.26Å; H131-N147 PolarHBondContact O-ND2 3.03Å
132I85.9Confident68.5Low0 Ų072.1 Ų72.10%036%0.359CS..EExtended strand (participates in β ladder)trans-85.5145.7176.3-163.3158.2000111.8L144 K145 Q153 L155 F158 M181 L222 A231 N232I132-L144 HydrophobicContact CD1-CB 4.13Å; I132-L144 HydrophobicContact CD1-CD1 4.12Å; I132-L144 HydrophobicContact CG1-CB 4.32Å; I132-K145 WeakPolarHBondContact CA-O 3.42Å; I132-Q153 HydrophobicContact CB-CG 4.45Å; I132-Q153 HydrophobicContact CD1-CG 4.36Å; I132-L155 HydrophobicContact CD1-CD2 3.38Å; I132-F158 HydrophobicContact CG2-CE1 3.99Å; I132-F158 HydrophobicContact CG2-CZ 4.25Å; I132-M181 HydrophobicContact CD1-SD 3.94Å; I132-L222 HydrophobicContact CD1-CD2 3.77Å; I132-L222 HydrophobicContact CG1-CD2 4.09Å; I132-L222 HydrophobicContact CG2-CD2 3.75Å; I132-A231 HydrophobicContact CG2-CB 4.2Å; I132-A231 WeakPolarHBondContact O-CA 3.27Å; I132-N232 PolarHBondContact O-N 2.96Å
133S86.5Confident71.6Confident3 Ų366.7 Ų66.72%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-144.7149.4171.361.60000110.7I135 L144 K145 N147 N232S133-I135 PolarHBondContact O-N 3.14Å; S133-I135 WeakPolarHBondContact OG-CG2 3.14Å; S133-L144 CarbonylContact O-C 3.51Å; S133-L144 WeakPolarHBondContact O-CA 3.43Å; S133-K145 PolarHBondContact N-O 3.32Å; S133-K145 PolarHBondContact O-N 2.99Å; S133-N147 VanDerWaalsContact CB-ND2 3.29Å; S133-N147 WeakPolarHBondContact CB-ND2 3.08Å; S133-N147 PolarHBondContact OG-ND2 3.12Å; S133-N232 WeakPolarHBondContact CB-O 3.45Å
134I89.9Confident74.8Confident10 Ų1059.1 Ų59.15%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-83.3113165.9-57177.1000107.5K136 I142 V143 L144 D220 A231I134-K136 WeakPolarHBondContact CG2-O 3.43Å; I134-I142 HydrophobicContact CD1-CD1 4.39Å; I134-I142 HydrophobicContact CG2-CB 4.21Å; I134-I142 HydrophobicContact CG2-CG2 4.4Å; I134-V143 CarbonylContact C-O 3.53Å; I134-V143 WeakPolarHBondContact CA-O 3.32Å; I134-L144 HydrophobicContact CG1-CD2 3.78Å; I134-D220 HydrophobicContact CD1-CB 3.79Å; I134-D220 WeakPolarHBondContact CD1-O 3.02Å; I134-A231 HydrophobicContact CG1-CB 4.5Å
135I88.8Confident77.5Confident44 Ų4454.6 Ų54.623%0.22626%0.263CS..EExtended strand (participates in β ladder)trans-98.5-19.6-17659.8158.7000113.4S133 V143 K145 E186S133-I135 PolarHBondContact O-N 3.14Å; S133-I135 WeakPolarHBondContact OG-CG2 3.14Å; I135-V143 HydrophobicContact CD1-CB 4.33Å; I135-V143 HydrophobicContact CD1-CG1 3.75Å; I135-V143 HydrophobicContact CG1-CB 3.87Å; I135-V143 HydrophobicContact CG1-CG1 3.75Å; I135-V143 WeakPolarHBondContact CG1-O 3.45Å; I135-V143 PolarHBondContact N-O 2.88Å; I135-K145 HydrophobicContact CD1-CB 4.22Å; I135-K145 HydrophobicContact CD1-CD 4.3Å; I135-K145 HydrophobicContact CG1-CB 4.24Å; I135-K145 HydrophobicContact CG2-CB 3.54Å; I135-K145 HydrophobicContact CG2-CD 3.86Å; I135-K145 HydrophobicContact CG2-CG 4.36Å; I135-E186 VanDerWaalsContact CD1-CD 3.5Å; I135-E186 HydrophobicContact CD1-CG 4.04Å; I135-E186 WeakPolarHBondContact CD1-OE1 3.38Å
136K90.9Very high80.3Confident113 Ų11348.6 Ų48.649%0.49123%0.231SC..EExtended strand (participates in β ladder)trans-142.7140.9175.7-64.2179.8-177.2167.90108.8I134 I142 V143I134-K136 WeakPolarHBondContact CG2-O 3.43Å; K136-I142 WeakPolarHBondContact O-CA 3.42Å; K136-V143 HydrophobicContact CB-CB 3.99Å; K136-V143 HydrophobicContact CB-CG2 3.94Å; K136-V143 HydrophobicContact CD-CG2 4.11Å; K136-V143 HydrophobicContact CG-CB 4.46Å; K136-V143 HydrophobicContact CG-CG2 4.45Å; K136-V143 PolarHBondContact O-N 3.31Å
137S90.2Very high82.8Confident18 Ų1849.2 Ų49.213%0.12623%0.23CC..EExtended strand (participates in β ladder)trans-133.7126.3176.4178.50000108.8R162 I217 D220 F238S137-R162 PolarHBondContact OG-NH2 3.13Å; S137-I217 WeakPolarHBondContact OG-CD1 3.32Å; S137-D220 WeakPolarHBondContact CB-OD2 3.49Å; S137-D220 PolarHBondContact OG-OD2 3.06Å; S137-F238 WeakPolarHBondContact O-CZ 3.2Å
138H92.4Very high85Confident76 Ų7641.5 Ų41.535%0.35220%0.198SC..EExtended strand (participates in β ladder)trans-136.8152.7178.1-175-94.3000107.8D140 F141 R162H138-D140 IonicContact CE1-OD2 3.99Å; H138-D140 PolarHBondContact CE1-OD2 3.41Å; H138-D140 PolarHBondContact ND1-N 3.2Å; H138-D140 VanDerWaalsContact ND1-N 3.13Å; H138-D140 IonicContact ND1-OD2 3.21Å; H138-D140 PolarHBondContact O-N 2.87Å; H138-F141 HydrophobicContact CB-CD1 3.68Å; H138-F141 HydrophobicContact CB-CD2 4.15Å; H138-F141 HydrophobicContact CB-CE1 3.45Å; H138-F141 VanDerWaalsContact CB-CE1 3.45Å; H138-F141 HydrophobicContact CB-CE2 3.94Å; H138-F141 HydrophobicContact CB-CG 4.02Å; H138-F141 HydrophobicContact CB-CZ 3.58Å; H138-F141 AromaticContact CG-CD1 3.82Å; H138-F141 AromaticContact CG-CE1 3.41Å; H138-F141 VanDerWaalsContact CG-CE1 3.41Å; H138-F141 AromaticContact CG-CZ 3.92Å; H138-F141 PolarHBondContact N-O 3.44Å; H138-F141 AromaticContact ND1-CD1 3.68Å; H138-F141 AromaticContact ND1-CE1 3.56Å; H138-F141 PolarHBondContact O-N 3.11Å; H138-R162 PolarHBondContact O-NH1 3.34Å
139P92.8Very high86.7Confident34 Ų3446.2 Ų46.222%0.22122%0.215CC..THydrogen-bonded Turntrans-44.2-38.5173.1-35.438.4000114.1T211 F212 G213 T214P139-T211 PolarHBondContact O-OG1 2.77Å; P139-T211 VanDerWaalsContact O-OG1 3.13Å; P139-F212 VanDerWaalsContact O-CA 3.32Å; P139-F212 WeakPolarHBondContact O-CA 3.41Å; P139-F212 WeakPolarHBondContact O-CB 3.5Å; P139-F212 PolarHBondContact O-N 2.93Å; P139-G213 WeakPolarHBondContact CA-O 3.4Å; P139-G213 VanDerWaalsContact CB-O 3.29Å; P139-G213 WeakPolarHBondContact CB-O 3.49Å; P139-T214 HydrophobicContact CB-CG2 4.23Å
140D94.4Very high88.3Confident43 Ų4353.7 Ų53.723%0.2324%0.241CC..THydrogen-bonded Turntrans-105.1-4.2-172.8-52.2-33.8000115H138 A191 T193 T211H138-D140 IonicContact CE1-OD2 3.99Å; H138-D140 PolarHBondContact CE1-OD2 3.41Å; H138-D140 PolarHBondContact ND1-N 3.2Å; H138-D140 VanDerWaalsContact ND1-N 3.13Å; H138-D140 IonicContact ND1-OD2 3.21Å; H138-D140 PolarHBondContact O-N 2.87Å; D140-A191 WeakPolarHBondContact O-CB 3.04Å; D140-A191 PolarHBondContact O-N 3.26Å; D140-T193 HydrophobicContact CB-CG2 3.84Å; D140-T211 WeakPolarHBondContact OD1-CB 3.29Å; D140-T211 PolarHBondContact OD1-OG1 3.49Å
141F94.9Very high89.2Confident57 Ų5750.9 Ų50.925%0.2523%0.231CC..EExtended strand (participates in β ladder)trans-160.5159.7178.365.6-91.5000113.2H138 V143 T188 V189 Y190H138-F141 HydrophobicContact CB-CD1 3.68Å; H138-F141 HydrophobicContact CB-CD2 4.15Å; H138-F141 HydrophobicContact CB-CE1 3.45Å; H138-F141 VanDerWaalsContact CB-CE1 3.45Å; H138-F141 HydrophobicContact CB-CE2 3.94Å; H138-F141 HydrophobicContact CB-CG 4.02Å; H138-F141 HydrophobicContact CB-CZ 3.58Å; H138-F141 AromaticContact CG-CD1 3.82Å; H138-F141 AromaticContact CG-CE1 3.41Å; H138-F141 VanDerWaalsContact CG-CE1 3.41Å; H138-F141 AromaticContact CG-CZ 3.92Å; H138-F141 PolarHBondContact N-O 3.44Å; H138-F141 AromaticContact ND1-CD1 3.68Å; H138-F141 AromaticContact ND1-CE1 3.56Å; H138-F141 PolarHBondContact O-N 3.11Å; F141-V143 HydrophobicContact CD2-CG2 4Å; F141-V143 HydrophobicContact CE2-CG2 4.08Å; F141-T188 HydrophobicContact CB-CG2 4.16Å; F141-T188 HydrophobicContact CD2-CG2 4.21Å; F141-T188 HydrophobicContact CG-CG2 4.47Å; F141-V189 CarbonylContact C-O 3.55Å; F141-V189 WeakPolarHBondContact CA-O 3.02Å; F141-V189 WeakPolarHBondContact CB-O 2.99Å; F141-Y190 HydrophobicContact CB-CD1 3.6Å; F141-Y190 HydrophobicContact CB-CE1 3.94Å; F141-Y190 HydrophobicContact CB-CG 4.31Å; F141-Y190 HydrophobicContact CD1-CE1 4.33Å; F141-Y190 HydrophobicContact CG-CD1 4.28Å; F141-Y190 HydrophobicContact CG-CE1 4.17Å
142I93.7Very high89.6Confident0 Ų050.8 Ų50.80%024%0.235CC..EExtended strand (participates in β ladder)trans-124.8151.9163.259.5168.9000110I134 K136 L144 F160 T188 V189I134-I142 HydrophobicContact CD1-CD1 4.39Å; I134-I142 HydrophobicContact CG2-CB 4.21Å; I134-I142 HydrophobicContact CG2-CG2 4.4Å; K136-I142 WeakPolarHBondContact O-CA 3.42Å; I142-L144 HydrophobicContact CD1-CD2 3.84Å; I142-L144 HydrophobicContact CG1-CD2 4.49Å; I142-F160 HydrophobicContact CD1-CD1 4.27Å; I142-F160 HydrophobicContact CD1-CD2 3.65Å; I142-F160 HydrophobicContact CD1-CE1 4.23Å; I142-F160 HydrophobicContact CD1-CE2 3.64Å; I142-F160 HydrophobicContact CD1-CG 4Å; I142-F160 HydrophobicContact CD1-CZ 3.93Å; I142-F160 HydrophobicContact CG2-CE2 4.23Å; I142-F160 HydrophobicContact CG2-CZ 3.91Å; I142-T188 WeakPolarHBondContact O-CA 2.78Å; I142-T188 WeakPolarHBondContact O-CG2 3.12Å; I142-V189 HydrophobicContact CD1-CB 4.27Å; I142-V189 HydrophobicContact CD1-CG2 4.36Å; I142-V189 HydrophobicContact CG1-CB 3.71Å; I142-V189 HydrophobicContact CG1-CG2 4.16Å; I142-V189 PolarHBondContact N-O 2.87Å; I142-V189 PolarHBondContact O-N 2.97Å
143V93.7Very high89.6Confident7 Ų751 Ų514%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-115.4118.5172.5-174.80000109.1I134 I135 K136 F141 E186 T188I134-V143 CarbonylContact C-O 3.53Å; I134-V143 WeakPolarHBondContact CA-O 3.32Å; I135-V143 HydrophobicContact CD1-CB 4.33Å; I135-V143 HydrophobicContact CD1-CG1 3.75Å; I135-V143 HydrophobicContact CG1-CB 3.87Å; I135-V143 HydrophobicContact CG1-CG1 3.75Å; I135-V143 WeakPolarHBondContact CG1-O 3.45Å; I135-V143 PolarHBondContact N-O 2.88Å; K136-V143 HydrophobicContact CB-CB 3.99Å; K136-V143 HydrophobicContact CB-CG2 3.94Å; K136-V143 HydrophobicContact CD-CG2 4.11Å; K136-V143 HydrophobicContact CG-CB 4.46Å; K136-V143 HydrophobicContact CG-CG2 4.45Å; K136-V143 PolarHBondContact O-N 3.31Å; F141-V143 HydrophobicContact CD2-CG2 4Å; F141-V143 HydrophobicContact CE2-CG2 4.08Å; V143-E186 HydrophobicContact CG1-CB 3.97Å; V143-E186 HydrophobicContact CG1-CG 4.34Å; V143-T188 HydrophobicContact CG2-CG2 4.05Å
144L92.9Very high89.5Confident0 Ų051.3 Ų51.30%024%0.238CC..EExtended strand (participates in β ladder)trans-87.4145172.5-50.9-178.3000109.2I132 S133 I134 I142 L155 L175 M181 E186 F187 V189I132-L144 HydrophobicContact CD1-CB 4.13Å; I132-L144 HydrophobicContact CD1-CD1 4.12Å; I132-L144 HydrophobicContact CG1-CB 4.32Å; S133-L144 CarbonylContact O-C 3.51Å; S133-L144 WeakPolarHBondContact O-CA 3.43Å; I134-L144 HydrophobicContact CG1-CD2 3.78Å; I142-L144 HydrophobicContact CD1-CD2 3.84Å; I142-L144 HydrophobicContact CG1-CD2 4.49Å; L144-L155 HydrophobicContact CD1-CD1 4.14Å; L144-L155 HydrophobicContact CD1-CD2 4.13Å; L144-L175 HydrophobicContact CD1-CD1 3.6Å; L144-M181 HydrophobicContact CB-CE 4.24Å; L144-M181 HydrophobicContact CB-SD 4.39Å; L144-E186 CarbonylContact O-C 3.49Å; L144-E186 WeakPolarHBondContact O-CA 3.43Å; L144-F187 HydrophobicContact CB-CB 4.41Å; L144-F187 WeakPolarHBondContact CB-O 3.33Å; L144-F187 HydrophobicContact CD1-CD1 4.32Å; L144-F187 PolarHBondContact N-O 3.3Å; L144-F187 PolarHBondContact O-N 2.96Å; L144-V189 HydrophobicContact CD1-CG2 4.09Å; L144-V189 HydrophobicContact CG-CG2 4.4Å
145K91.6Very high89.4Confident57 Ų5750.9 Ų50.925%0.24824%0.236CC..EExtended strand (participates in β ladder)trans-130.4131.7174.3-176.3172.3-170.3149.80110.8I132 S133 I135 N147 S185 E186I132-K145 WeakPolarHBondContact CA-O 3.42Å; S133-K145 PolarHBondContact N-O 3.32Å; S133-K145 PolarHBondContact O-N 2.99Å; I135-K145 HydrophobicContact CD1-CB 4.22Å; I135-K145 HydrophobicContact CD1-CD 4.3Å; I135-K145 HydrophobicContact CG1-CB 4.24Å; I135-K145 HydrophobicContact CG2-CB 3.54Å; I135-K145 HydrophobicContact CG2-CD 3.86Å; I135-K145 HydrophobicContact CG2-CG 4.36Å; K145-N147 PolarHBondContact O-N 2.71Å; K145-S185 WeakPolarHBondContact CA-O 3.46Å; K145-E186 HydrophobicContact CB-CG 4.44Å; K145-E186 HydrophobicContact CG-CG 4.33Å; K145-E186 IonicContact NZ-OE1 3.62Å
146N90.4Very high89Confident0 Ų051 Ų510%024%0.237CC..EExtended strand (participates in β ladder)trans-80.7105165.1-179.3-1.4000109S148 H151 Q153 M181 Q182 K184 S185N146-S148 PolarHBondContact O-N 3.12Å; N146-S148 WeakPolarHBondContact OD1-CB 3.43Å; N146-S148 PolarHBondContact OD1-N 2.75Å; N146-H151 PolarHBondContact ND2-O 3.11Å; N146-Q153 HydrophobicContact CB-CB 4.3Å; N146-Q153 PolarHBondContact ND2-N 2.84Å; N146-M181 HydrophobicContact CB-CB 4.07Å; N146-M181 HydrophobicContact CB-CE 4.12Å; N146-M181 PolarHBondContact ND2-O 3.35Å; N146-M181 VanDerWaalsContact ND2-O 3.16Å; N146-Q182 WeakPolarHBondContact CB-O 3.23Å; N146-Q182 PolarHBondContact ND2-O 3.39Å; N146-K184 WeakPolarHBondContact O-CA 3.48Å; N146-K184 PolarHBondContact O-N 3.04Å; N146-S185 PolarHBondContact N-O 3.19Å
147N87.8Confident88.5Confident60 Ų6049.9 Ų49.932%0.32124%0.236SC..  trans-76.9-8.3179.5-61.6-65.3000113.6H131 S133 K145 K184H131-N147 WeakPolarHBondContact O-CA 3.42Å; H131-N147 WeakPolarHBondContact O-CB 3.44Å; H131-N147 PolarHBondContact O-N 3.26Å; H131-N147 PolarHBondContact O-ND2 3.03Å; S133-N147 VanDerWaalsContact CB-ND2 3.29Å; S133-N147 WeakPolarHBondContact CB-ND2 3.08Å; S133-N147 PolarHBondContact OG-ND2 3.12Å; K145-N147 PolarHBondContact O-N 2.71Å; N147-K184 PolarHBondContact O-NZ 3.41Å
148S86.1Confident88.4Confident6 Ų649.1 Ų49.14%0.04223%0.231CC..  trans-63.4144.9177.4-168.20000110.5N146 Y150 H151 K184N146-S148 PolarHBondContact O-N 3.12Å; N146-S148 WeakPolarHBondContact OD1-CB 3.43Å; N146-S148 PolarHBondContact OD1-N 2.75Å; S148-Y150 PolarHBondContact OG-N 3.3Å; S148-H151 VanDerWaalsContact CB-O 3.23Å; S148-H151 WeakPolarHBondContact CB-O 3.29Å; S148-H151 WeakPolarHBondContact OG-CB 3.47Å; S148-H151 PolarHBondContact OG-N 3.28Å; S148-H151 PolarHBondContact OG-ND1 3.5Å; S148-H151 PolarHBondContact OG-O 3.37Å; S148-K184 WeakPolarHBondContact O-CD 3.23Å; S148-K184 PolarHBondContact O-N 3.43Å
149R86.7Confident88.2Confident179 Ų17947.9 Ų47.968%0.67523%0.227SC*.SBendtrans-88.7-21172.4-69.4-179-176-162.2-0.1112.4
150Y85.2Confident88.2Confident180 Ų18046.2 Ų46.271%0.70622%0.216SC*.SBendtrans-133-27.9-165.2-52.4-66.1000113.2S148S148-Y150 PolarHBondContact OG-N 3.3Å
151H82.5Confident88Confident109 Ų10945 Ų4551%0.50521%0.21SC..  trans-105.2137.1-172.9-52103.7000110.9N146 S148N146-H151 PolarHBondContact ND2-O 3.11Å; S148-H151 VanDerWaalsContact CB-O 3.23Å; S148-H151 WeakPolarHBondContact CB-O 3.29Å; S148-H151 WeakPolarHBondContact OG-CB 3.47Å; S148-H151 PolarHBondContact OG-N 3.28Å; S148-H151 PolarHBondContact OG-ND1 3.5Å; S148-H151 PolarHBondContact OG-O 3.37Å
152T84.8Confident87.9Confident71 Ų7142.3 Ų42.344%0.43620%0.199SC..  trans-67.8160.6165.650.20000110.2V180 M181T152-V180 HydrophobicContact CG2-CG1 4.08Å; T152-M181 CarbonylContact C-O 3.54Å; T152-M181 VanDerWaalsContact CA-O 3.25Å; T152-M181 WeakPolarHBondContact CA-O 3.42Å
153Q85.1Confident87.6Confident5 Ų544.5 Ų44.52%0.02321%0.21CC..EExtended strand (participates in β ladder)trans-129.3119.3176.2178.159.648.100109.3S129 I132 N146 M181S129-Q153 PolarHBondContact O-OE1 2.96Å; S129-Q153 PolarHBondContact OG-OE1 2.84Å; I132-Q153 HydrophobicContact CB-CG 4.45Å; I132-Q153 HydrophobicContact CD1-CG 4.36Å; N146-Q153 HydrophobicContact CB-CB 4.3Å; N146-Q153 PolarHBondContact ND2-N 2.84Å; Q153-M181 HydrophobicContact CB-CB 4.28Å; Q153-M181 PolarHBondContact N-O 2.7Å; Q153-M181 WeakPolarHBondContact O-CB 3.46Å; Q153-M181 PolarHBondContact O-N 2.69Å
154C85.6Confident87.4Confident9 Ų944.6 Ų44.66%0.06121%0.21CC..EExtended strand (participates in β ladder)trans-77143.8170.2-156.90000110.3D156 F158 V179C154-D156 PolarHBondContact SG-OD2 2.84Å; C154-F158 WeakPolarHBondContact O-CE2 3.36Å; C154-V179 WeakPolarHBondContact CA-O 3.35Å
155L86.3Confident87.3Confident0 Ų049.5 Ų49.50%024%0.237CC..  trans-97.32.4173.5-63.8-174.3000113.6I132 L144 F158 L175 V179 M181 F187I132-L155 HydrophobicContact CD1-CD2 3.38Å; L144-L155 HydrophobicContact CD1-CD1 4.14Å; L144-L155 HydrophobicContact CD1-CD2 4.13Å; L155-F158 PolarHBondContact O-N 3.15Å; L155-L175 HydrophobicContact CB-CB 4.46Å; L155-L175 HydrophobicContact CB-CD1 4.39Å; L155-L175 HydrophobicContact CD1-CD1 4.29Å; L155-L175 HydrophobicContact CD2-CD1 4.3Å; L155-V179 HydrophobicContact CB-CB 4.21Å; L155-V179 HydrophobicContact CD1-CB 4.17Å; L155-V179 HydrophobicContact CD1-CG1 3.7Å; L155-V179 HydrophobicContact CG-CB 4.37Å; L155-V179 HydrophobicContact CG-CG1 4.14Å; L155-V179 PolarHBondContact N-O 2.78Å; L155-M181 HydrophobicContact CD1-CG 4.22Å; L155-M181 HydrophobicContact CD1-SD 4.09Å; L155-M181 HydrophobicContact CD2-CG 4.32Å; L155-M181 HydrophobicContact CD2-SD 3.65Å; L155-M181 HydrophobicContact CG-CG 4.12Å; L155-M181 HydrophobicContact CG-SD 4.05Å; L155-F187 HydrophobicContact CD1-CB 4.36Å; L155-F187 HydrophobicContact CD1-CD1 3.54Å; L155-F187 HydrophobicContact CD1-CD2 4.38Å; L155-F187 HydrophobicContact CD1-CE1 3.83Å; L155-F187 HydrophobicContact CD1-CG 3.83Å; L155-F187 HydrophobicContact CD1-CZ 4.38Å
156D81.7Confident87.1Confident47 Ų4749.7 Ų49.725%0.25126%0.255SS..THydrogen-bonded Turntrans-54.9141.9177.1-65.8-7.2000111.2W128 C154 F158 T177 G178W128-D156 WeakPolarHBondContact CH2-O 3.41Å; W128-D156 WeakPolarHBondContact CZ3-O 3.46Å; C154-D156 PolarHBondContact SG-OD2 2.84Å; D156-F158 WeakPolarHBondContact O-CD2 3.38Å; D156-F158 PolarHBondContact O-N 2.89Å; D156-T177 WeakPolarHBondContact OD1-CA 3.46Å; D156-G178 PolarHBondContact OD1-N 2.86Å
157D80Confident87Confident89 Ų8954.2 Ų54.248%0.47628%0.282SS..THydrogen-bonded Turntrans50.28.4-176.4-27.1-61.9000117.7W128 L159 A225W128-D157 HydrophobicContact CH2-CB 3.69Å; W128-D157 HydrophobicContact CZ2-CB 4.46Å; D157-L159 PolarHBondContact O-N 3.13Å; D157-A225 HydrophobicContact CB-CB 3.71Å
158F87Confident87.2Confident2 Ų254.3 Ų54.31%0.00929%0.291CS..  trans-69134.8169.9-79.7-90.2000110.4W128 I132 C154 L155 D156 P174 L175 L222 L223 A230W128-F158 HydrophobicContact CE3-CD2 4.18Å; W128-F158 HydrophobicContact CE3-CE1 4.42Å; W128-F158 AromaticContact CE3-CE2 3.56Å; W128-F158 HydrophobicContact CE3-CE2 3.56Å; W128-F158 AromaticContact CE3-CZ 3.74Å; W128-F158 HydrophobicContact CE3-CZ 3.74Å; W128-F158 AromaticContact CZ3-CD2 3.64Å; W128-F158 HydrophobicContact CZ3-CD2 3.64Å; W128-F158 AromaticContact CZ3-CE2 3.49Å; W128-F158 HydrophobicContact CZ3-CE2 3.49Å; W128-F158 VanDerWaalsContact CZ3-CE2 3.49Å; W128-F158 HydrophobicContact CZ3-CG 4.25Å; W128-F158 HydrophobicContact CZ3-CZ 4.05Å; I132-F158 HydrophobicContact CG2-CE1 3.99Å; I132-F158 HydrophobicContact CG2-CZ 4.25Å; C154-F158 WeakPolarHBondContact O-CE2 3.36Å; L155-F158 PolarHBondContact O-N 3.15Å; D156-F158 WeakPolarHBondContact O-CD2 3.38Å; D156-F158 PolarHBondContact O-N 2.89Å; F158-P174 WeakPolarHBondContact O-CA 3.27Å; F158-L175 HydrophobicContact CB-CB 4.5Å; F158-L175 HydrophobicContact CB-CD1 3.96Å; F158-L175 HydrophobicContact CB-CG 4.26Å; F158-L175 PolarHBondContact O-N 2.97Å; F158-L222 HydrophobicContact CB-CD1 4.16Å; F158-L222 HydrophobicContact CB-CG 4.3Å; F158-L222 HydrophobicContact CD1-CD1 4.35Å; F158-L222 HydrophobicContact CD1-CD2 3.44Å; F158-L222 VanDerWaalsContact CD1-CD2 3.44Å; F158-L222 HydrophobicContact CD1-CG 3.58Å; F158-L222 HydrophobicContact CE1-CD2 3.73Å; F158-L222 HydrophobicContact CE1-CG 4.27Å; F158-L222 HydrophobicContact CG-CD2 4.16Å; F158-L222 HydrophobicContact CG-CG 4.31Å; F158-L223 CarbonylContact C-O 3.59Å; F158-L223 WeakPolarHBondContact CA-O 3.48Å; F158-L223 WeakPolarHBondContact CD1-O 3.44Å; F158-A230 HydrophobicContact CD1-CB 4.16Å; F158-A230 HydrophobicContact CE1-CB 3.43Å; F158-A230 VanDerWaalsContact CE1-CB 3.43Å; F158-A230 HydrophobicContact CZ-CB 4.31Å
159L89.7Confident87.5Confident50 Ų5056.1 Ų56.126%0.26230%0.302SS..EExtended strand (participates in β ladder)trans-109.4131.1175.7-50.6178.6000110.3D157 V173 P174 L222 L223D157-L159 PolarHBondContact O-N 3.13Å; L159-V173 CarbonylContact C-O 3.6Å; L159-V173 WeakPolarHBondContact CA-O 3.18Å; L159-P174 HydrophobicContact CD2-CB 3.96Å; L159-L222 CarbonylContact O-C 3.56Å; L159-L222 WeakPolarHBondContact O-CA 3.32Å; L159-L223 HydrophobicContact CB-CB 4.21Å; L159-L223 PolarHBondContact N-O 3.34Å; L159-L223 PolarHBondContact O-N 2.91Å
160F91.8Very high87.8Confident0 Ų047.7 Ų47.70%027%0.271CS..EExtended strand (participates in β ladder)trans-96.6132.5172.7175.4-127.6000111.1I142 R162 V170 G172 V173 L175 L206 F212 D220 R221 L222I142-F160 HydrophobicContact CD1-CD1 4.27Å; I142-F160 HydrophobicContact CD1-CD2 3.65Å; I142-F160 HydrophobicContact CD1-CE1 4.23Å; I142-F160 HydrophobicContact CD1-CE2 3.64Å; I142-F160 HydrophobicContact CD1-CG 4Å; I142-F160 HydrophobicContact CD1-CZ 3.93Å; I142-F160 HydrophobicContact CG2-CE2 4.23Å; I142-F160 HydrophobicContact CG2-CZ 3.91Å; F160-R162 HydrophobicContact CE2-CB 4.42Å; F160-R162 HydrophobicContact CZ-CB 3.95Å; F160-V170 HydrophobicContact CD1-CB 4.48Å; F160-V170 HydrophobicContact CD1-CG1 3.78Å; F160-V170 HydrophobicContact CE1-CB 4.24Å; F160-V170 HydrophobicContact CE1-CG1 4Å; F160-V170 HydrophobicContact CE1-CG2 4.12Å; F160-G172 PolarHBondContact O-N 3.43Å; F160-V173 PolarHBondContact N-O 2.81Å; F160-V173 PolarHBondContact O-N 2.98Å; F160-L175 HydrophobicContact CB-CD2 4.23Å; F160-L206 HydrophobicContact CD1-CD1 4.24Å; F160-F212 HydrophobicContact CE1-CD1 4.31Å; F160-F212 AromaticContact CE1-CD2 3.95Å; F160-F212 HydrophobicContact CE1-CD2 3.95Å; F160-F212 HydrophobicContact CE1-CE1 4.39Å; F160-F212 HydrophobicContact CE1-CE2 4.02Å; F160-F212 HydrophobicContact CE1-CG 4.1Å; F160-F212 HydrophobicContact CE1-CZ 4.26Å; F160-F212 HydrophobicContact CZ-CD2 4.39Å; F160-D220 HydrophobicContact CE2-CB 4.37Å; F160-D220 WeakPolarHBondContact CE2-OD1 3.41Å; F160-R221 CarbonylContact C-O 3.35Å; F160-R221 WeakPolarHBondContact CA-O 3.33Å; F160-R221 WeakPolarHBondContact CD2-O 3.41Å; F160-L222 HydrophobicContact CB-CD1 4.49Å
161S91.5Very high88.1Confident16 Ų1643.8 Ų43.811%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-134.2148.3172.3-52.90000110.7V170 G172 D220 R221S161-V170 CarbonylContact C-O 3.57Å; S161-V170 VanDerWaalsContact CA-O 3.27Å; S161-V170 WeakPolarHBondContact CA-O 3.18Å; S161-G172 WeakPolarHBondContact OG-CA 3.08Å; S161-G172 PolarHBondContact OG-N 3.22Å; S161-D220 CarbonylContact O-C 3.5Å; S161-D220 WeakPolarHBondContact O-CA 3.2Å; S161-R221 PolarHBondContact N-O 3.38Å; S161-R221 PolarHBondContact O-N 3.32Å
162R91.4Very high88.3Confident1 Ų139.8 Ų39.80%0.00425%0.25CS..EExtended strand (participates in β ladder)trans-138.9140.5177.5174.7174.5-73.7-167.7-4.6111.1S137 H138 F160 V164 A168 T169 V170 F212 E219 D220S137-R162 PolarHBondContact OG-NH2 3.13Å; H138-R162 PolarHBondContact O-NH1 3.34Å; F160-R162 HydrophobicContact CE2-CB 4.42Å; F160-R162 HydrophobicContact CZ-CB 3.95Å; R162-V164 HydrophobicContact CG-CG2 3.8Å; R162-A168 CarbonylContact O-C 3.5Å; R162-A168 WeakPolarHBondContact O-CA 3.4Å; R162-T169 PolarHBondContact O-N 2.86Å; R162-T169 PolarHBondContact O-OG1 3.21Å; R162-V170 HydrophobicContact CB-CB 3.95Å; R162-V170 HydrophobicContact CB-CG2 4.07Å; R162-V170 PolarHBondContact N-O 2.98Å; R162-V170 PolarHBondContact O-N 3.03Å; R162-F212 WeakPolarHBondContact CD-O 3.32Å; R162-E219 WeakPolarHBondContact CA-O 3.25Å; R162-D220 IonicContact CZ-OD1 2.66Å; R162-D220 IonicContact CZ-OD2 2.65Å; R162-D220 IonicContact NE-OD1 3.71Å; R162-D220 PolarHBondContact NE-OD1 3.12Å; R162-D220 IonicContact NE-OD2 3.17Å; R162-D220 VanDerWaalsContact NH2-CG 3.27Å; R162-D220 IonicContact NH2-OD1 3.39Å; R162-D220 PolarHBondContact NH2-OD1 3.03Å; R162-D220 IonicContact NH2-OD2 3.99Å; R162-D220 PolarHBondContact NH2-OD2 2.9Å
163I88.6Confident88.6Confident47 Ų4737.6 Ų37.624%0.24124%0.237CC..EExtended strand (participates in β ladder)trans-117.2123.4169.9-56.6179.4000109.1V167 I218 E219I163-V167 CarbonylContact C-O 3.56Å; I163-V167 WeakPolarHBondContact CA-O 3.36Å; I163-I218 HydrophobicContact CB-CB 4.37Å; I163-I218 HydrophobicContact CG2-CB 4.11Å; I163-I218 HydrophobicContact CG2-CG1 4.46Å; I163-I218 PolarHBondContact O-N 3.13Å; I163-E219 HydrophobicContact CB-CB 4.21Å; I163-E219 PolarHBondContact N-O 3.4Å; I163-E219 PolarHBondContact O-N 2.91Å
164V89.6Confident88.8Confident8 Ų841.3 Ų41.35%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-119.7127.1175-179.50000108.3R162 G166 V167 T169 G215 K216 I217R162-V164 HydrophobicContact CG-CG2 3.8Å; V164-G166 PolarHBondContact O-N 3.36Å; V164-G166 VanDerWaalsContact O-N 3.07Å; V164-V167 PolarHBondContact N-O 3.43Å; V164-V167 PolarHBondContact O-N 3.35Å; V164-T169 HydrophobicContact CB-CG2 3.77Å; V164-T169 HydrophobicContact CG2-CG2 3.98Å; V164-G215 VanDerWaalsContact CG1-CA 3.42Å; V164-K216 WeakPolarHBondContact CA-O 3.35Å; V164-I217 HydrophobicContact CG2-CG1 4.39Å
165D89.4Confident89Confident104 Ų10441.2 Ų41.256%0.55626%0.26SS*.THydrogen-bonded Turntrans5133.8-178.7-58.8-41.7000113.9V167 G215 K216D165-V167 VanDerWaalsContact C-N 3.29Å; D165-V167 PolarHBondContact O-N 3.49Å; D165-G215 WeakPolarHBondContact OD2-CA 3.5Å; D165-K216 PolarHBondContact N-O 3.05Å; D165-K216 WeakPolarHBondContact OD1-CB 3.13Å; D165-K216 PolarHBondContact OD1-N 2.86Å
166G87Confident89Confident61 Ų6143.1 Ų43.163%0.62927%0.272SS*.THydrogen-bonded Turntrans81.6-0-178.800000115.1V164V164-G166 PolarHBondContact O-N 3.36Å; V164-G166 VanDerWaalsContact O-N 3.07Å
167V89.5Confident89Confident95 Ų9546.2 Ų46.258%0.57629%0.293SS*.EExtended strand (participates in β ladder)trans-105.4132177.2-177.70000110I163 V164 D165 T169I163-V167 CarbonylContact C-O 3.56Å; I163-V167 WeakPolarHBondContact CA-O 3.36Å; V164-V167 PolarHBondContact N-O 3.43Å; V164-V167 PolarHBondContact O-N 3.35Å; D165-V167 VanDerWaalsContact C-N 3.29Å; D165-V167 PolarHBondContact O-N 3.49Å; V167-T169 PolarHBondContact O-N 3.47Å; V167-T169 VanDerWaalsContact O-N 3.09Å
168A91.8Very high89Confident61 Ų6144.2 Ų44.250%0.50429%0.293SS..EExtended strand (participates in β ladder)trans-70103.7172.900000110R162R162-A168 CarbonylContact O-C 3.5Å; R162-A168 WeakPolarHBondContact O-CA 3.4Å
169T92.9Very high89Confident45 Ų4544.9 Ų44.928%0.27630%0.298SS..EExtended strand (participates in β ladder)trans-89.3-24.3179.152.30000112.4R162 V164 V167 F212R162-T169 PolarHBondContact O-N 2.86Å; R162-T169 PolarHBondContact O-OG1 3.21Å; V164-T169 HydrophobicContact CB-CG2 3.77Å; V164-T169 HydrophobicContact CG2-CG2 3.98Å; V167-T169 PolarHBondContact O-N 3.47Å; V167-T169 VanDerWaalsContact O-N 3.09Å; T169-F212 WeakPolarHBondContact CB-O 3.11Å; T169-F212 PolarHBondContact OG1-O 2.88Å
170V92.7Very high88.8Confident2 Ų244.9 Ų44.91%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-132.4128.8170-1740000107.4F160 S161 R162 V173 F209 F212F160-V170 HydrophobicContact CD1-CB 4.48Å; F160-V170 HydrophobicContact CD1-CG1 3.78Å; F160-V170 HydrophobicContact CE1-CB 4.24Å; F160-V170 HydrophobicContact CE1-CG1 4Å; F160-V170 HydrophobicContact CE1-CG2 4.12Å; S161-V170 CarbonylContact C-O 3.57Å; S161-V170 VanDerWaalsContact CA-O 3.27Å; S161-V170 WeakPolarHBondContact CA-O 3.18Å; R162-V170 HydrophobicContact CB-CB 3.95Å; R162-V170 HydrophobicContact CB-CG2 4.07Å; R162-V170 PolarHBondContact N-O 2.98Å; R162-V170 PolarHBondContact O-N 3.03Å; V170-V173 HydrophobicContact CG1-CB 4.17Å; V170-V173 HydrophobicContact CG1-CG2 3.57Å; V170-F209 HydrophobicContact CB-CE1 4.33Å; V170-F209 HydrophobicContact CG1-CE1 4.2Å; V170-F209 HydrophobicContact CG1-CE2 4.45Å; V170-F209 HydrophobicContact CG1-CZ 3.98Å; V170-F209 HydrophobicContact CG2-CD1 4.04Å; V170-F209 HydrophobicContact CG2-CE1 3.95Å; V170-F212 HydrophobicContact CG2-CB 3.81Å; V170-F212 HydrophobicContact CG2-CD1 3.66Å; V170-F212 HydrophobicContact CG2-CG 4.02Å
171N90.4Very high88.7Confident98 Ų9844.9 Ų44.952%0.52430%0.3SS..EExtended strand (participates in β ladder)trans-130.2102.2-174.4-176.139.1000111.2V173N171-V173 PolarHBondContact O-N 2.71Å
172G86.8Confident88.7Confident25 Ų2549.6 Ų49.626%0.25832%0.32SS..EExtended strand (participates in β ladder)trans6042.2170.100000114.7F160 S161F160-G172 PolarHBondContact O-N 3.43Å; S161-G172 WeakPolarHBondContact OG-CA 3.08Å; S161-G172 PolarHBondContact OG-N 3.22Å
173V90.8Very high88.7Confident25 Ų2551.5 Ų51.515%0.15233%0.333CS..EExtended strand (participates in β ladder)trans-83.5125-177.2-179.70000110.1L159 F160 V170 N171 L206 F209L159-V173 CarbonylContact C-O 3.6Å; L159-V173 WeakPolarHBondContact CA-O 3.18Å; F160-V173 PolarHBondContact N-O 2.81Å; F160-V173 PolarHBondContact O-N 2.98Å; V170-V173 HydrophobicContact CG1-CB 4.17Å; V170-V173 HydrophobicContact CG1-CG2 3.57Å; N171-V173 PolarHBondContact O-N 2.71Å; V173-L206 HydrophobicContact CG1-CD1 4.03Å; V173-L206 HydrophobicContact CG1-CD2 4.21Å; V173-F209 HydrophobicContact CB-CE2 4.46Å; V173-F209 HydrophobicContact CG1-CE2 4.2Å; V173-F209 HydrophobicContact CG2-CE2 3.62Å; V173-F209 HydrophobicContact CG2-CZ 3.51Å
174P90.3Very high88.8Confident83 Ų8354.2 Ų54.254%0.53934%0.342SS..EExtended strand (participates in β ladder)trans-64.8139.4178.327.1-34.1000111.4F158 L159F158-P174 WeakPolarHBondContact O-CA 3.27Å; L159-P174 HydrophobicContact CD2-CB 3.96Å
175L89.4Confident89Confident7 Ų755.4 Ų55.44%0.03735%0.351CS..PPolyproline II helixtrans-73.8160.9166.3-65.9-169.3000110.7L144 L155 F158 F160 T177 V189 L222L144-L175 HydrophobicContact CD1-CD1 3.6Å; L155-L175 HydrophobicContact CB-CB 4.46Å; L155-L175 HydrophobicContact CB-CD1 4.39Å; L155-L175 HydrophobicContact CD1-CD1 4.29Å; L155-L175 HydrophobicContact CD2-CD1 4.3Å; F158-L175 HydrophobicContact CB-CB 4.5Å; F158-L175 HydrophobicContact CB-CD1 3.96Å; F158-L175 HydrophobicContact CB-CG 4.26Å; F158-L175 PolarHBondContact O-N 2.97Å; F160-L175 HydrophobicContact CB-CD2 4.23Å; L175-T177 PolarHBondContact O-N 2.84Å; L175-V189 HydrophobicContact CD2-CG1 4.2Å; L175-V189 HydrophobicContact CD2-CG2 3.84Å; L175-L222 HydrophobicContact CD1-CD1 3.72Å; L175-L222 HydrophobicContact CG-CD1 4.37Å
176P85.7Confident89.3Confident39 Ų3954.6 Ų54.625%0.25334%0.344SS..PPolyproline II helixtrans-61.4138.3179.6-16.827.6000111.7V179 C204P176-V179 HydrophobicContact CB-CG2 4.03Å; P176-C204 HydrophobicContact CG-CB 3.4Å; P176-C204 VanDerWaalsContact CG-CB 3.4Å; P176-C204 WeakPolarHBondContact CG-SG 3.4Å
177T83Confident89.6Confident113 Ų11351.8 Ų51.869%0.69332%0.315SS*.THydrogen-bonded Turntrans-77.7154.6175.556.30000111.6D156 L175 V179D156-T177 WeakPolarHBondContact OD1-CA 3.46Å; L175-T177 PolarHBondContact O-N 2.84Å; T177-V179 VanDerWaalsContact C-N 3.28Å; T177-V179 PolarHBondContact O-N 2.89Å
178G79.5Confident90Very high46 Ų4648.3 Ų48.347%0.47429%0.294SS..THydrogen-bonded Turntrans78.24.5179.300000114.8D156D156-G178 PolarHBondContact OD1-N 2.86Å
179V86.2Confident90.2Very high17 Ų1745.4 Ų45.410%0.10327%0.27CS..  trans-85.8117.4178.3178.50000110.4C154 L155 P176 T177 F187C154-V179 WeakPolarHBondContact CA-O 3.35Å; L155-V179 HydrophobicContact CB-CB 4.21Å; L155-V179 HydrophobicContact CD1-CB 4.17Å; L155-V179 HydrophobicContact CD1-CG1 3.7Å; L155-V179 HydrophobicContact CG-CB 4.37Å; L155-V179 HydrophobicContact CG-CG1 4.14Å; L155-V179 PolarHBondContact N-O 2.78Å; P176-V179 HydrophobicContact CB-CG2 4.03Å; T177-V179 VanDerWaalsContact C-N 3.28Å; T177-V179 PolarHBondContact O-N 2.89Å; V179-F187 HydrophobicContact CG1-CD2 3.76Å; V179-F187 HydrophobicContact CG1-CE2 3.54Å; V179-F187 HydrophobicContact CG1-CG 4.47Å; V179-F187 HydrophobicContact CG1-CZ 4.07Å; V179-F187 HydrophobicContact CG2-CE2 4.21Å; V179-F187 HydrophobicContact CG2-CZ 4.19Å
180V86.7Confident90.4Very high49 Ų4945.8 Ų45.830%0.29727%0.266SS..EExtended strand (participates in β ladder)trans-113.4106.4176.7-176.70000110.4T152T152-V180 HydrophobicContact CG2-CG1 4.08Å
181M90Very high90.5Very high1 Ų145.7 Ų45.71%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-75.1123.8176.8-61.7-178.269.300111.3I132 L144 N146 T152 Q153 L155 S185 F187I132-M181 HydrophobicContact CD1-SD 3.94Å; L144-M181 HydrophobicContact CB-CE 4.24Å; L144-M181 HydrophobicContact CB-SD 4.39Å; N146-M181 HydrophobicContact CB-CB 4.07Å; N146-M181 HydrophobicContact CB-CE 4.12Å; N146-M181 PolarHBondContact ND2-O 3.35Å; N146-M181 VanDerWaalsContact ND2-O 3.16Å; T152-M181 CarbonylContact C-O 3.54Å; T152-M181 VanDerWaalsContact CA-O 3.25Å; T152-M181 WeakPolarHBondContact CA-O 3.42Å; Q153-M181 HydrophobicContact CB-CB 4.28Å; Q153-M181 PolarHBondContact N-O 2.7Å; Q153-M181 WeakPolarHBondContact O-CB 3.46Å; Q153-M181 PolarHBondContact O-N 2.69Å; L155-M181 HydrophobicContact CD1-CG 4.22Å; L155-M181 HydrophobicContact CD1-SD 4.09Å; L155-M181 HydrophobicContact CD2-CG 4.32Å; L155-M181 HydrophobicContact CD2-SD 3.65Å; L155-M181 HydrophobicContact CG-CG 4.12Å; L155-M181 HydrophobicContact CG-SD 4.05Å; M181-S185 WeakPolarHBondContact CE-O 3.34Å; M181-F187 HydrophobicContact CE-CB 3.67Å; M181-F187 HydrophobicContact CG-CB 4.15Å; M181-F187 HydrophobicContact SD-CB 3.89Å
182Q91.8Very high90.8Very high114 Ų11444.9 Ų44.953%0.53326%0.259SS..PPolyproline II helixtrans-65.8157.2173.7-62.1-58.9-37.800111.9N146 K184 S185N146-Q182 WeakPolarHBondContact CB-O 3.23Å; N146-Q182 PolarHBondContact ND2-O 3.39Å; Q182-K184 PolarHBondContact O-N 2.98Å; Q182-S185 PolarHBondContact N-OG 2.74Å; Q182-S185 VanDerWaalsContact N-OG 3.12Å; Q182-S185 WeakPolarHBondContact O-CB 3.2Å; Q182-S185 PolarHBondContact O-N 3.12Å; Q182-S185 PolarHBondContact O-OG 2.65Å
183P90Very high91Very high42 Ų4245.4 Ų45.427%0.27326%0.257SS..THydrogen-bonded Turntrans-51.8134173-24.632.9000111.3S185P183-S185 PolarHBondContact O-N 2.94Å; P183-S185 VanDerWaalsContact O-N 3.12Å
184K91.5Very high91.1Very high103 Ų10349.6 Ų49.645%0.44829%0.288SS..THydrogen-bonded Turntrans63.15.6-177.3-54.9-57.3-173.3-174.70116.4N146 N147 S148 Q182N146-K184 WeakPolarHBondContact O-CA 3.48Å; N146-K184 PolarHBondContact O-N 3.04Å; N147-K184 PolarHBondContact O-NZ 3.41Å; S148-K184 WeakPolarHBondContact O-CD 3.23Å; S148-K184 PolarHBondContact O-N 3.43Å; Q182-K184 PolarHBondContact O-N 2.98Å
185S93.9Very high91.1Very high33 Ų3353 Ų5323%0.23130%0.296CS..  trans-77.416317781.20000112.3K145 N146 M181 Q182 P183K145-S185 WeakPolarHBondContact CA-O 3.46Å; N146-S185 PolarHBondContact N-O 3.19Å; M181-S185 WeakPolarHBondContact CE-O 3.34Å; Q182-S185 PolarHBondContact N-OG 2.74Å; Q182-S185 VanDerWaalsContact N-OG 3.12Å; Q182-S185 WeakPolarHBondContact O-CB 3.2Å; Q182-S185 PolarHBondContact O-N 3.12Å; Q182-S185 PolarHBondContact O-OG 2.65Å; P183-S185 PolarHBondContact O-N 2.94Å; P183-S185 VanDerWaalsContact O-N 3.12Å
186E94.7Very high91.3Very high88 Ų8853.4 Ų53.441%0.41130%0.3SS..EExtended strand (participates in β ladder)trans-116.4148.5175.1-65.2178.9-174.600109.3I135 V143 L144 K145I135-E186 VanDerWaalsContact CD1-CD 3.5Å; I135-E186 HydrophobicContact CD1-CG 4.04Å; I135-E186 WeakPolarHBondContact CD1-OE1 3.38Å; V143-E186 HydrophobicContact CG1-CB 3.97Å; V143-E186 HydrophobicContact CG1-CG 4.34Å; L144-E186 CarbonylContact O-C 3.49Å; L144-E186 WeakPolarHBondContact O-CA 3.43Å; K145-E186 HydrophobicContact CB-CG 4.44Å; K145-E186 HydrophobicContact CG-CG 4.33Å; K145-E186 IonicContact NZ-OE1 3.62Å
187F94.7Very high91.6Very high2 Ų260.2 Ų60.21%0.00932%0.321CS..EExtended strand (participates in β ladder)trans-135.4128.3175.9-173.8-92.1000109.1L144 L155 V179 M181 V189 K202 C204L144-F187 HydrophobicContact CB-CB 4.41Å; L144-F187 WeakPolarHBondContact CB-O 3.33Å; L144-F187 HydrophobicContact CD1-CD1 4.32Å; L144-F187 PolarHBondContact N-O 3.3Å; L144-F187 PolarHBondContact O-N 2.96Å; L155-F187 HydrophobicContact CD1-CB 4.36Å; L155-F187 HydrophobicContact CD1-CD1 3.54Å; L155-F187 HydrophobicContact CD1-CD2 4.38Å; L155-F187 HydrophobicContact CD1-CE1 3.83Å; L155-F187 HydrophobicContact CD1-CG 3.83Å; L155-F187 HydrophobicContact CD1-CZ 4.38Å; V179-F187 HydrophobicContact CG1-CD2 3.76Å; V179-F187 HydrophobicContact CG1-CE2 3.54Å; V179-F187 HydrophobicContact CG1-CG 4.47Å; V179-F187 HydrophobicContact CG1-CZ 4.07Å; V179-F187 HydrophobicContact CG2-CE2 4.21Å; V179-F187 HydrophobicContact CG2-CZ 4.19Å; M181-F187 HydrophobicContact CE-CB 3.67Å; M181-F187 HydrophobicContact CG-CB 4.15Å; M181-F187 HydrophobicContact SD-CB 3.89Å; F187-V189 HydrophobicContact CD1-CG2 4.05Å; F187-V189 HydrophobicContact CE1-CG2 4.01Å; F187-K202 CarbonylContact C-O 3.59Å; F187-K202 WeakPolarHBondContact CA-O 3.48Å; F187-C204 HydrophobicContact CE1-CB 4.29Å; F187-C204 HydrophobicContact CZ-CB 3.94Å
188T96.5Very high92Very high22 Ų2260.7 Ų60.714%0.13532%0.315CS..EExtended strand (participates in β ladder)trans-106125.9-174.9-50.20000111.3F141 I142 V143 Y190 K202 S203 C204F141-T188 HydrophobicContact CB-CG2 4.16Å; F141-T188 HydrophobicContact CD2-CG2 4.21Å; F141-T188 HydrophobicContact CG-CG2 4.47Å; I142-T188 WeakPolarHBondContact O-CA 2.78Å; I142-T188 WeakPolarHBondContact O-CG2 3.12Å; V143-T188 HydrophobicContact CG2-CG2 4.05Å; T188-Y190 HydrophobicContact CG2-CD1 4.25Å; T188-Y190 HydrophobicContact CG2-CD2 3.87Å; T188-Y190 HydrophobicContact CG2-CE1 3.79Å; T188-Y190 HydrophobicContact CG2-CE2 3.38Å; T188-Y190 HydrophobicContact CG2-CG 4.27Å; T188-K202 PolarHBondContact N-O 2.88Å; T188-S203 CarbonylContact O-C 3.6Å; T188-S203 WeakPolarHBondContact O-CA 3.26Å; T188-S203 VanDerWaalsContact O-CB 3.23Å; T188-S203 WeakPolarHBondContact O-CB 3.2Å; T188-C204 PolarHBondContact O-N 3Å
189V95.8Very high92.6Very high0 Ų062.3 Ų62.30%031%0.312CS..EExtended strand (participates in β ladder)trans-103.2113.9175-175.80000107.4F141 I142 L144 L175 F187 L206 F212F141-V189 CarbonylContact C-O 3.55Å; F141-V189 WeakPolarHBondContact CA-O 3.02Å; F141-V189 WeakPolarHBondContact CB-O 2.99Å; I142-V189 HydrophobicContact CD1-CB 4.27Å; I142-V189 HydrophobicContact CD1-CG2 4.36Å; I142-V189 HydrophobicContact CG1-CB 3.71Å; I142-V189 HydrophobicContact CG1-CG2 4.16Å; I142-V189 PolarHBondContact N-O 2.87Å; I142-V189 PolarHBondContact O-N 2.97Å; L144-V189 HydrophobicContact CD1-CG2 4.09Å; L144-V189 HydrophobicContact CG-CG2 4.4Å; L175-V189 HydrophobicContact CD2-CG1 4.2Å; L175-V189 HydrophobicContact CD2-CG2 3.84Å; F187-V189 HydrophobicContact CD1-CG2 4.05Å; F187-V189 HydrophobicContact CE1-CG2 4.01Å; V189-L206 HydrophobicContact CG1-CD1 3.58Å; V189-L206 HydrophobicContact CG1-CD2 4.21Å; V189-L206 HydrophobicContact CG1-CG 3.6Å; V189-F212 HydrophobicContact CG1-CZ 4.2Å
190Y97.3Very high92.4Very high53 Ų5371 Ų7121%0.20835%0.345CS..EExtended strand (participates in β ladder)trans-99.4147.8-179-69.1-81.5000111.9F141 T188 A196 C204 I205 L206 F212F141-Y190 HydrophobicContact CB-CD1 3.6Å; F141-Y190 HydrophobicContact CB-CE1 3.94Å; F141-Y190 HydrophobicContact CB-CG 4.31Å; F141-Y190 HydrophobicContact CD1-CE1 4.33Å; F141-Y190 HydrophobicContact CG-CD1 4.28Å; F141-Y190 HydrophobicContact CG-CE1 4.17Å; T188-Y190 HydrophobicContact CG2-CD1 4.25Å; T188-Y190 HydrophobicContact CG2-CD2 3.87Å; T188-Y190 HydrophobicContact CG2-CE1 3.79Å; T188-Y190 HydrophobicContact CG2-CE2 3.38Å; T188-Y190 HydrophobicContact CG2-CG 4.27Å; Y190-A196 HydrophobicContact CD1-CB 4.15Å; Y190-A196 HydrophobicContact CG-CB 3.88Å; Y190-C204 PolarHBondContact N-O 3.16Å; Y190-I205 WeakPolarHBondContact O-CA 3.47Å; Y190-L206 PolarHBondContact O-N 2.75Å; Y190-F212 VanDerWaalsContact C-CZ 3.5Å
191A96Very high92.1Very high0 Ų072.6 Ų72.60%035%0.352CS..EExtended strand (participates in β ladder)trans-73156.8152.500000109.5D140 T193 A196 F209 F212D140-A191 WeakPolarHBondContact O-CB 3.04Å; D140-A191 PolarHBondContact O-N 3.26Å; A191-T193 VanDerWaalsContact C-N 3.33Å; A191-T193 HydrophobicContact CB-CG2 4.4Å; A191-T193 PolarHBondContact O-N 3.18Å; A191-T193 PolarHBondContact O-OG1 2.98Å; A191-A196 WeakPolarHBondContact O-CB 3.48Å; A191-F209 CarbonylContact C-O 3.5Å; A191-F209 WeakPolarHBondContact CA-O 3.35Å; A191-F209 HydrophobicContact CB-CB 4.3Å; A191-F209 WeakPolarHBondContact CB-O 3.47Å; A191-F212 HydrophobicContact CB-CD1 4.09Å; A191-F212 HydrophobicContact CB-CE1 3.88Å; A191-F212 HydrophobicContact CB-CG 4.48Å; A191-F212 HydrophobicContact CB-CZ 4.11Å
192Q95.6Very high92.2Very high80 Ų8078.4 Ų78.437%0.37438%0.377SS..SBendtrans-66.487.4176-168-179.618.400111I205 H207 F209 Q210Q192-I205 HydrophobicContact CB-CG2 4.1Å; Q192-I205 HydrophobicContact CG-CG2 4.49Å; Q192-H207 PolarHBondContact OE1-O 3.43Å; Q192-F209 WeakPolarHBondContact CB-O 3.36Å; Q192-F209 PolarHBondContact N-O 3.4Å; Q192-Q210 PolarHBondContact O-OE1 3.49Å; Q192-Q210 VanDerWaalsContact O-OE1 3.1Å
193T92.6Very high92.4Very high36 Ų3673.4 Ų73.422%0.22135%0.354CS..  trans-126.2164.1178.857.40000110.7D140 A191 H195 A196 Q210D140-T193 HydrophobicContact CB-CG2 3.84Å; A191-T193 VanDerWaalsContact C-N 3.33Å; A191-T193 HydrophobicContact CB-CG2 4.4Å; A191-T193 PolarHBondContact O-N 3.18Å; A191-T193 PolarHBondContact O-OG1 2.98Å; T193-H195 PolarHBondContact O-N 2.93Å; T193-H195 VanDerWaalsContact O-N 3.13Å; T193-A196 VanDerWaalsContact O-CB 3.32Å; T193-A196 WeakPolarHBondContact O-CB 3.35Å; T193-A196 PolarHBondContact O-N 2.68Å; T193-Q210 VanDerWaalsContact CG2-O 3.31Å; T193-Q210 WeakPolarHBondContact CG2-O 3.33Å
194S92.2Very high92.7Very high114 Ų11471.6 Ų71.680%0.79734%0.343SS*.THydrogen-bonded Turntrans-60.3-22.7-179.854.90000114.2
195H90.1Very high92.9Very high154 Ų15468 Ų6871%0.71333%0.328SS*.THydrogen-bonded Turntrans-95.1-10.6179.3-55.8-55.8000113.3T193T193-H195 PolarHBondContact O-N 2.93Å; T193-H195 VanDerWaalsContact O-N 3.13Å
196A93.3Very high92.9Very high16 Ų1667.2 Ų67.213%0.13232%0.321CS..  trans-66.7134.2179.800000110.5Y190 A191 T193 I205Y190-A196 HydrophobicContact CD1-CB 4.15Å; Y190-A196 HydrophobicContact CG-CB 3.88Å; A191-A196 WeakPolarHBondContact O-CB 3.48Å; T193-A196 VanDerWaalsContact O-CB 3.32Å; T193-A196 WeakPolarHBondContact O-CB 3.35Å; T193-A196 PolarHBondContact O-N 2.68Å; A196-I205 HydrophobicContact CB-CD1 3.74Å; A196-I205 HydrophobicContact CB-CG1 4.01Å
197R92.3Very high92.8Very high182 Ų18267.9 Ų67.969%0.68732%0.324SS*.  trans-131.2127.4174.9-65.4-173.1-176.7-143.40.1108.8I199 S203R197-I199 HydrophobicContact CB-CG1 4.45Å; R197-S203 WeakPolarHBondContact O-CB 3.49Å; R197-S203 PolarHBondContact O-OG 3.39Å
198E91.8Very high92.6Very high122 Ų12277 Ų7757%0.5736%0.359SS*.  trans-84.9121.1170.1-169.4153.7-127.800108.7I205E198-I205 HydrophobicContact CB-CD1 4.22Å; E198-I205 HydrophobicContact CB-CG1 4.25Å
199I92.2Very high92.5Very high81 Ų8177.8 Ų77.842%0.41536%0.36SS..BIsolated β-bridgetrans-132.9116.2177.9-58.6175.3000105.1R197 D201 K202 S203R197-I199 HydrophobicContact CB-CG1 4.45Å; I199-D201 PolarHBondContact O-N 2.76Å; I199-K202 HydrophobicContact CB-CB 4.17Å; I199-K202 HydrophobicContact CG2-CB 4.07Å; I199-K202 HydrophobicContact CG2-CD 4.04Å; I199-K202 HydrophobicContact CG2-CG 4.01Å; I199-K202 PolarHBondContact O-N 2.78Å; I199-S203 PolarHBondContact N-O 3.43Å; I199-S203 PolarHBondContact N-OG 3.45Å; I199-S203 VanDerWaalsContact N-OG 3.15Å; I199-S203 PolarHBondContact O-N 3.29Å
200Y81.4Confident92.4Very high198 Ų19883.9 Ų83.978%0.77639%0.389SS*.THydrogen-bonded Turntrans-46.2135.5175.6-174.7-95.6000110K202Y200-K202 PolarHBondContact O-N 2.97Å; Y200-K202 VanDerWaalsContact O-N 3.13Å
201D79.9Confident92.3Very high84 Ų8483.5 Ų83.545%0.44939%0.392SS..THydrogen-bonded Turntrans64.7-6.3-175.979.533.2000118.7I199I199-D201 PolarHBondContact O-N 2.76Å
202K93.3Very high92.2Very high122 Ų12283.6 Ų83.653%0.5339%0.392SS..THydrogen-bonded Turntrans-121.4-30.7-178.8-50.2-167.8-179167.60114.7F187 T188 I199 Y200F187-K202 CarbonylContact C-O 3.59Å; F187-K202 WeakPolarHBondContact CA-O 3.48Å; T188-K202 PolarHBondContact N-O 2.88Å; I199-K202 HydrophobicContact CB-CB 4.17Å; I199-K202 HydrophobicContact CG2-CB 4.07Å; I199-K202 HydrophobicContact CG2-CD 4.04Å; I199-K202 HydrophobicContact CG2-CG 4.01Å; I199-K202 PolarHBondContact O-N 2.78Å; Y200-K202 PolarHBondContact O-N 2.97Å; Y200-K202 VanDerWaalsContact O-N 3.13Å
203S96.2Very high91.9Very high9 Ų980.2 Ų80.26%0.06338%0.379CS..EExtended strand (participates in β ladder)trans-158.9153.9-178.153.60000113.5T188 R197 I199T188-S203 CarbonylContact O-C 3.6Å; T188-S203 WeakPolarHBondContact O-CA 3.26Å; T188-S203 VanDerWaalsContact O-CB 3.23Å; T188-S203 WeakPolarHBondContact O-CB 3.2Å; R197-S203 WeakPolarHBondContact O-CB 3.49Å; R197-S203 PolarHBondContact O-OG 3.39Å; I199-S203 PolarHBondContact N-O 3.43Å; I199-S203 PolarHBondContact N-OG 3.45Å; I199-S203 VanDerWaalsContact N-OG 3.15Å; I199-S203 PolarHBondContact O-N 3.29Å
204C95.2Very high91.7Very high4 Ų484.2 Ų84.23%0.02740%0.404CS..EExtended strand (participates in β ladder)trans-133.7166.7170.867.60000111.1P176 F187 T188 Y190P176-C204 HydrophobicContact CG-CB 3.4Å; P176-C204 VanDerWaalsContact CG-CB 3.4Å; P176-C204 WeakPolarHBondContact CG-SG 3.4Å; F187-C204 HydrophobicContact CE1-CB 4.29Å; F187-C204 HydrophobicContact CZ-CB 3.94Å; T188-C204 PolarHBondContact O-N 3Å; Y190-C204 PolarHBondContact N-O 3.16Å
205I96Very high91.4Very high27 Ų2780.4 Ų80.414%0.13838%0.382CS..EExtended strand (participates in β ladder)trans-118.3123.2175.5-55179.4000109.1Y190 Q192 A196 E198 H207Y190-I205 WeakPolarHBondContact O-CA 3.47Å; Q192-I205 HydrophobicContact CB-CG2 4.1Å; Q192-I205 HydrophobicContact CG-CG2 4.49Å; A196-I205 HydrophobicContact CB-CD1 3.74Å; A196-I205 HydrophobicContact CB-CG1 4.01Å; E198-I205 HydrophobicContact CB-CD1 4.22Å; E198-I205 HydrophobicContact CB-CG1 4.25Å; I205-H207 PolarHBondContact O-CD2 2.92Å; I205-H207 PolarHBondContact O-N 3.41Å; I205-H207 VanDerWaalsContact O-N 3.12Å
206L94.2Very high91.3Very high18 Ų1880.1 Ų80.19%0.09438%0.379CS..EExtended strand (participates in β ladder)trans-82.685.6168.7-57.2-175.1000108.8F160 V173 V189 Y190 R208 F209 F212F160-L206 HydrophobicContact CD1-CD1 4.24Å; V173-L206 HydrophobicContact CG1-CD1 4.03Å; V173-L206 HydrophobicContact CG1-CD2 4.21Å; V189-L206 HydrophobicContact CG1-CD1 3.58Å; V189-L206 HydrophobicContact CG1-CD2 4.21Å; V189-L206 HydrophobicContact CG1-CG 3.6Å; Y190-L206 PolarHBondContact O-N 2.75Å; L206-R208 PolarHBondContact O-N 2.91Å; L206-F209 HydrophobicContact CB-CD2 3.81Å; L206-F209 HydrophobicContact CB-CE2 4.48Å; L206-F209 HydrophobicContact CD1-CD2 4.5Å; L206-F209 PolarHBondContact O-N 3.15Å; L206-F212 HydrophobicContact CB-CE1 4.21Å; L206-F212 HydrophobicContact CB-CZ 4.44Å; L206-F212 HydrophobicContact CD1-CE1 3.88Å; L206-F212 HydrophobicContact CD1-CZ 3.88Å; L206-F212 HydrophobicContact CG-CE1 4.47Å; L206-F212 HydrophobicContact CG-CZ 4.35Å
207H91.8Very high91Very high101 Ų10181.5 Ų81.547%0.46838%0.383SS..THydrogen-bonded Turntrans-55.8-19.1-172.7-69.6-75.8000115.6Q192 I205 F209Q192-H207 PolarHBondContact OE1-O 3.43Å; I205-H207 PolarHBondContact O-CD2 2.92Å; I205-H207 PolarHBondContact O-N 3.41Å; I205-H207 VanDerWaalsContact O-N 3.12Å; H207-F209 VanDerWaalsContact C-N 3.26Å; H207-F209 PolarHBondContact O-N 3.11Å
208R91.6Very high90.6Very high194 Ų19477.3 Ų77.373%0.73237%0.374SS*.THydrogen-bonded Turntrans-75.7-12.7177.9-65.2-176.4178.7-161.1-5.3113.7L206L206-R208 PolarHBondContact O-N 2.91Å
209F94.1Very high90.2Very high38 Ų3873.6 Ų73.617%0.16736%0.356CS..  trans-117.1120.1-173.9-60.5-85.4000109.8V170 V173 A191 Q192 L206 H207 T211 F212V170-F209 HydrophobicContact CB-CE1 4.33Å; V170-F209 HydrophobicContact CG1-CE1 4.2Å; V170-F209 HydrophobicContact CG1-CE2 4.45Å; V170-F209 HydrophobicContact CG1-CZ 3.98Å; V170-F209 HydrophobicContact CG2-CD1 4.04Å; V170-F209 HydrophobicContact CG2-CE1 3.95Å; V173-F209 HydrophobicContact CB-CE2 4.46Å; V173-F209 HydrophobicContact CG1-CE2 4.2Å; V173-F209 HydrophobicContact CG2-CE2 3.62Å; V173-F209 HydrophobicContact CG2-CZ 3.51Å; A191-F209 CarbonylContact C-O 3.5Å; A191-F209 WeakPolarHBondContact CA-O 3.35Å; A191-F209 HydrophobicContact CB-CB 4.3Å; A191-F209 WeakPolarHBondContact CB-O 3.47Å; Q192-F209 WeakPolarHBondContact CB-O 3.36Å; Q192-F209 PolarHBondContact N-O 3.4Å; L206-F209 HydrophobicContact CB-CD2 3.81Å; L206-F209 HydrophobicContact CB-CE2 4.48Å; L206-F209 HydrophobicContact CD1-CD2 4.5Å; L206-F209 PolarHBondContact O-N 3.15Å; H207-F209 VanDerWaalsContact C-N 3.26Å; H207-F209 PolarHBondContact O-N 3.11Å; F209-T211 VanDerWaalsContact C-N 3.28Å; F209-F212 HydrophobicContact CB-CD1 3.84Å; F209-F212 HydrophobicContact CB-CE1 3.82Å; F209-F212 HydrophobicContact CD1-CD1 4.41Å; F209-F212 HydrophobicContact CD2-CE1 4.24Å; F209-F212 HydrophobicContact CG-CD1 4.03Å; F209-F212 HydrophobicContact CG-CE1 4.04Å
210Q94.3Very high90Very high129 Ų12970.1 Ų70.160%0.60334%0.338SS*.SBendtrans-76.8-23.7167.9-61.6-60.4-42.500111.4Q192 T193Q192-Q210 PolarHBondContact O-OE1 3.49Å; Q192-Q210 VanDerWaalsContact O-OE1 3.1Å; T193-Q210 VanDerWaalsContact CG2-O 3.31Å; T193-Q210 WeakPolarHBondContact CG2-O 3.33Å
211T93.8Very high90.2Very high45 Ų4565.5 Ų65.528%0.27632%0.32SS..  trans-156.4155.8171.5-174.10000107.8P139 D140 F209 G213 T214P139-T211 PolarHBondContact O-OG1 2.77Å; P139-T211 VanDerWaalsContact O-OG1 3.13Å; D140-T211 WeakPolarHBondContact OD1-CB 3.29Å; D140-T211 PolarHBondContact OD1-OG1 3.49Å; F209-T211 VanDerWaalsContact C-N 3.28Å; T211-G213 VanDerWaalsContact C-N 3.26Å; T211-G213 PolarHBondContact OG1-N 2.82Å; T211-T214 HydrophobicContact CG2-CG2 4.39Å
212F93.5Very high90.6Very high1 Ų161.5 Ų61.50%0.00430%0.298CS..SBendtrans-86.10.9166.8-52.5-37.8000111.9P139 F160 R162 T169 V170 V189 Y190 A191 L206 F209P139-F212 VanDerWaalsContact O-CA 3.32Å; P139-F212 WeakPolarHBondContact O-CA 3.41Å; P139-F212 WeakPolarHBondContact O-CB 3.5Å; P139-F212 PolarHBondContact O-N 2.93Å; F160-F212 HydrophobicContact CE1-CD1 4.31Å; F160-F212 AromaticContact CE1-CD2 3.95Å; F160-F212 HydrophobicContact CE1-CD2 3.95Å; F160-F212 HydrophobicContact CE1-CE1 4.39Å; F160-F212 HydrophobicContact CE1-CE2 4.02Å; F160-F212 HydrophobicContact CE1-CG 4.1Å; F160-F212 HydrophobicContact CE1-CZ 4.26Å; F160-F212 HydrophobicContact CZ-CD2 4.39Å; R162-F212 WeakPolarHBondContact CD-O 3.32Å; T169-F212 WeakPolarHBondContact CB-O 3.11Å; T169-F212 PolarHBondContact OG1-O 2.88Å; V170-F212 HydrophobicContact CG2-CB 3.81Å; V170-F212 HydrophobicContact CG2-CD1 3.66Å; V170-F212 HydrophobicContact CG2-CG 4.02Å; V189-F212 HydrophobicContact CG1-CZ 4.2Å; Y190-F212 VanDerWaalsContact C-CZ 3.5Å; A191-F212 HydrophobicContact CB-CD1 4.09Å; A191-F212 HydrophobicContact CB-CE1 3.88Å; A191-F212 HydrophobicContact CB-CG 4.48Å; A191-F212 HydrophobicContact CB-CZ 4.11Å; L206-F212 HydrophobicContact CB-CE1 4.21Å; L206-F212 HydrophobicContact CB-CZ 4.44Å; L206-F212 HydrophobicContact CD1-CE1 3.88Å; L206-F212 HydrophobicContact CD1-CZ 3.88Å; L206-F212 HydrophobicContact CG-CE1 4.47Å; L206-F212 HydrophobicContact CG-CZ 4.35Å; F209-F212 HydrophobicContact CB-CD1 3.84Å; F209-F212 HydrophobicContact CB-CE1 3.82Å; F209-F212 HydrophobicContact CD1-CD1 4.41Å; F209-F212 HydrophobicContact CD2-CE1 4.24Å; F209-F212 HydrophobicContact CG-CD1 4.03Å; F209-F212 HydrophobicContact CG-CE1 4.04Å
213G91.1Very high90.2Very high9 Ų956.9 Ų56.99%0.09328%0.279CS..  trans120.4139.1171.700000113.1P139 T211P139-G213 WeakPolarHBondContact CA-O 3.4Å; P139-G213 VanDerWaalsContact CB-O 3.29Å; P139-G213 WeakPolarHBondContact CB-O 3.49Å; T211-G213 VanDerWaalsContact C-N 3.26Å; T211-G213 PolarHBondContact OG1-N 2.82Å
214T86.7Confident89.3Confident121 Ų12157.3 Ų57.374%0.74228%0.281SS*.SBendtrans-10520.4-164.549.70000115.2P139 T211P139-T214 HydrophobicContact CB-CG2 4.23Å; T211-T214 HydrophobicContact CG2-CG2 4.39Å
215G87.6Confident88Confident33 Ų3358.5 Ų58.534%0.3429%0.291SS..SBendtrans-116-155.1-176.500000114.1V164 D165 I217V164-G215 VanDerWaalsContact CG1-CA 3.42Å; D165-G215 WeakPolarHBondContact OD2-CA 3.5Å; G215-I217 PolarHBondContact O-N 3.04Å; G215-I217 VanDerWaalsContact O-N 3.14Å
216K87.2Confident86.6Confident149 Ų14960.2 Ų60.265%0.64830%0.299SS*.  trans-73.8109.9175.1-174.5-174.9175-174.70109V164 D165 I218V164-K216 WeakPolarHBondContact CA-O 3.35Å; D165-K216 PolarHBondContact N-O 3.05Å; D165-K216 WeakPolarHBondContact OD1-CB 3.13Å; D165-K216 PolarHBondContact OD1-N 2.86Å; K216-I218 HydrophobicContact CD-CD1 4Å; K216-I218 HydrophobicContact CG-CD1 4.19Å; K216-I218 PolarHBondContact O-N 3.2Å
217I86.5Confident85.5Confident44 Ų4461 Ų6123%0.22631%0.311CS..EExtended strand (participates in β ladder)trans-64.9110.9172.3-53.8176.7000107.5S137 V164 G215S137-I217 WeakPolarHBondContact OG-CD1 3.32Å; V164-I217 HydrophobicContact CG2-CG1 4.39Å; G215-I217 PolarHBondContact O-N 3.04Å; G215-I217 VanDerWaalsContact O-N 3.14Å
218I83.6Confident84.6Confident95 Ų9558.9 Ų58.949%0.48730%0.303SS..EExtended strand (participates in β ladder)trans-81.9-39.1175.1-59.4-58.8000109I163 K216I163-I218 HydrophobicContact CB-CB 4.37Å; I163-I218 HydrophobicContact CG2-CB 4.11Å; I163-I218 HydrophobicContact CG2-CG1 4.46Å; I163-I218 PolarHBondContact O-N 3.13Å; K216-I218 HydrophobicContact CD-CD1 4Å; K216-I218 HydrophobicContact CG-CD1 4.19Å; K216-I218 PolarHBondContact O-N 3.2Å
219E84.9Confident83.7Confident43 Ų4354.4 Ų54.420%0.20129%0.29CS..EExtended strand (participates in β ladder)trans-159.7148.2-170.8-172164.1-136.900113.5R162 I163 R221 Y233R162-E219 WeakPolarHBondContact CA-O 3.25Å; I163-E219 HydrophobicContact CB-CB 4.21Å; I163-E219 PolarHBondContact N-O 3.4Å; I163-E219 PolarHBondContact O-N 2.91Å; E219-R221 HydrophobicContact CG-CG 3.91Å; E219-R221 IonicContact OE1-CZ 2.73Å; E219-R221 IonicContact OE1-NE 2.63Å; E219-R221 PolarHBondContact OE1-NE 2.91Å; E219-R221 IonicContact OE1-NH2 3.82Å; E219-R221 PolarHBondContact OE1-NH2 3Å; E219-R221 IonicContact OE2-CZ 2.78Å; E219-R221 IonicContact OE2-NE 2.92Å; E219-R221 PolarHBondContact OE2-NE 3.37Å; E219-R221 IonicContact OE2-NH1 3.2Å; E219-R221 IonicContact OE2-NH2 3.5Å; E219-R221 PolarHBondContact OE2-NH2 3.19Å; E219-Y233 VanDerWaalsContact CG-OH 3.27Å; E219-Y233 WeakPolarHBondContact CG-OH 3.46Å
220D88Confident82.6Confident8 Ų853.3 Ų53.34%0.04329%0.288CS..EExtended strand (participates in β ladder)trans-135.681.7178.6-95-29.8000112I134 S137 F160 S161 R162 Y233I134-D220 HydrophobicContact CD1-CB 3.79Å; I134-D220 WeakPolarHBondContact CD1-O 3.02Å; S137-D220 WeakPolarHBondContact CB-OD2 3.49Å; S137-D220 PolarHBondContact OG-OD2 3.06Å; F160-D220 HydrophobicContact CE2-CB 4.37Å; F160-D220 WeakPolarHBondContact CE2-OD1 3.41Å; S161-D220 CarbonylContact O-C 3.5Å; S161-D220 WeakPolarHBondContact O-CA 3.2Å; R162-D220 IonicContact CZ-OD1 2.66Å; R162-D220 IonicContact CZ-OD2 2.65Å; R162-D220 IonicContact NE-OD1 3.71Å; R162-D220 PolarHBondContact NE-OD1 3.12Å; R162-D220 IonicContact NE-OD2 3.17Å; R162-D220 VanDerWaalsContact NH2-CG 3.27Å; R162-D220 IonicContact NH2-OD1 3.39Å; R162-D220 PolarHBondContact NH2-OD1 3.03Å; R162-D220 IonicContact NH2-OD2 3.99Å; R162-D220 PolarHBondContact NH2-OD2 2.9Å; D220-Y233 VanDerWaalsContact C-CE1 3.46Å; D220-Y233 VanDerWaalsContact C-CZ 3.49Å; D220-Y233 HydrophobicContact CB-CE1 3.93Å; D220-Y233 PolarHBondContact N-OH 2.75Å; D220-Y233 WeakPolarHBondContact O-CE1 3.48Å; D220-Y233 PolarHBondContact O-OH 3.31Å
221R85.4Confident81.2Confident102 Ų10247.3 Ų47.339%0.38526%0.261SS..EExtended strand (participates in β ladder)trans-82.8135-173.4-73.7-178.1-173.8157.115.8111.8F160 S161 E219 L223 Y233F160-R221 CarbonylContact C-O 3.35Å; F160-R221 WeakPolarHBondContact CA-O 3.33Å; F160-R221 WeakPolarHBondContact CD2-O 3.41Å; S161-R221 PolarHBondContact N-O 3.38Å; S161-R221 PolarHBondContact O-N 3.32Å; E219-R221 HydrophobicContact CG-CG 3.91Å; E219-R221 IonicContact OE1-CZ 2.73Å; E219-R221 IonicContact OE1-NE 2.63Å; E219-R221 PolarHBondContact OE1-NE 2.91Å; E219-R221 IonicContact OE1-NH2 3.82Å; E219-R221 PolarHBondContact OE1-NH2 3Å; E219-R221 IonicContact OE2-CZ 2.78Å; E219-R221 IonicContact OE2-NE 2.92Å; E219-R221 PolarHBondContact OE2-NE 3.37Å; E219-R221 IonicContact OE2-NH1 3.2Å; E219-R221 IonicContact OE2-NH2 3.5Å; E219-R221 PolarHBondContact OE2-NH2 3.19Å; R221-L223 HydrophobicContact CB-CD2 3.95Å; R221-L223 HydrophobicContact CB-CG 4.26Å; R221-L223 HydrophobicContact CG-CD2 4.47Å; R221-Y233 WeakPolarHBondContact CA-OH 3.32Å; R221-Y233 HydrophobicContact CG-CE2 4.47Å; R221-Y233 WeakPolarHBondContact CG-OH 3.36Å; R221-Y233 PolarHBondContact N-OH 3.49Å
222L87.7Confident79.3Confident0 Ų050.4 Ų50.40%028%0.276CS..EExtended strand (participates in β ladder)trans-109114.7158.9-162.576.1000108.2I132 F158 L159 F160 L175 A230 A231I132-L222 HydrophobicContact CD1-CD2 3.77Å; I132-L222 HydrophobicContact CG1-CD2 4.09Å; I132-L222 HydrophobicContact CG2-CD2 3.75Å; F158-L222 HydrophobicContact CB-CD1 4.16Å; F158-L222 HydrophobicContact CB-CG 4.3Å; F158-L222 HydrophobicContact CD1-CD1 4.35Å; F158-L222 HydrophobicContact CD1-CD2 3.44Å; F158-L222 VanDerWaalsContact CD1-CD2 3.44Å; F158-L222 HydrophobicContact CD1-CG 3.58Å; F158-L222 HydrophobicContact CE1-CD2 3.73Å; F158-L222 HydrophobicContact CE1-CG 4.27Å; F158-L222 HydrophobicContact CG-CD2 4.16Å; F158-L222 HydrophobicContact CG-CG 4.31Å; L159-L222 CarbonylContact O-C 3.56Å; L159-L222 WeakPolarHBondContact O-CA 3.32Å; F160-L222 HydrophobicContact CB-CD1 4.49Å; L175-L222 HydrophobicContact CD1-CD1 3.72Å; L175-L222 HydrophobicContact CG-CD1 4.37Å; L222-A230 PolarHBondContact O-N 3.49Å; L222-A231 HydrophobicContact CB-CB 3.63Å; L222-A231 HydrophobicContact CD2-CB 4.16Å
223L84.5Confident77.4Confident24 Ų2453.5 Ų53.513%0.12629%0.288CS..EExtended strand (participates in β ladder)trans-103.5143.1-178.1-49.9174.2000109.3F158 L159 R221 N228F158-L223 CarbonylContact C-O 3.59Å; F158-L223 WeakPolarHBondContact CA-O 3.48Å; F158-L223 WeakPolarHBondContact CD1-O 3.44Å; L159-L223 HydrophobicContact CB-CB 4.21Å; L159-L223 PolarHBondContact N-O 3.34Å; L159-L223 PolarHBondContact O-N 2.91Å; R221-L223 HydrophobicContact CB-CD2 3.95Å; R221-L223 HydrophobicContact CB-CG 4.26Å; R221-L223 HydrophobicContact CG-CD2 4.47Å; L223-N228 CarbonylContact C-O 3.57Å; L223-N228 VanDerWaalsContact CA-O 3.23Å; L223-N228 WeakPolarHBondContact CA-O 3.46Å
224D78.7Confident74.9Confident18 Ų1859.2 Ų59.210%0.09632%0.315CS..  trans-75.1179.4167.161.122.8000111.7W128 E226 G227 N228 A230W128-D224 HydrophobicContact CD2-CB 4.29Å; W128-D224 HydrophobicContact CE3-CB 3.75Å; W128-D224 HydrophobicContact CZ3-CB 4.05Å; D224-E226 PolarHBondContact O-N 3.32Å; D224-E226 VanDerWaalsContact O-N 3.14Å; D224-E226 VanDerWaalsContact OD1-C 3.31Å; D224-E226 VanDerWaalsContact OD1-CA 3.32Å; D224-E226 WeakPolarHBondContact OD1-CA 3.42Å; D224-E226 WeakPolarHBondContact OD1-CB 3.07Å; D224-E226 PolarHBondContact OD1-N 3.1Å; D224-G227 PolarHBondContact O-N 3.36Å; D224-G227 PolarHBondContact OD1-N 3.25Å; D224-N228 PolarHBondContact N-O 3.24Å; D224-N228 PolarHBondContact OD1-N 2.98Å; D224-N228 PolarHBondContact OD1-ND2 3.05Å; D224-N228 WeakPolarHBondContact OD2-CB 3.14Å; D224-N228 PolarHBondContact OD2-ND2 3.4Å; D224-A230 HydrophobicContact CB-CB 4.05Å
225A66.5Low72.4Confident29 Ų2962.5 Ų62.524%0.2432%0.32CS..THydrogen-bonded Turntrans-54.6-30.6175.800000112.9R41 W128 D157 G227R41-A225 PolarHBondContact NH2-O 3.38Å; W128-A225 HydrophobicContact CH2-CB 3.81Å; W128-A225 HydrophobicContact CZ2-CB 3.72Å; D157-A225 HydrophobicContact CB-CB 3.71Å; A225-G227 VanDerWaalsContact C-N 3.32Å
226E67.8Low69.8Low64 Ų6463.6 Ų63.630%0.29932%0.321SS..THydrogen-bonded Turntrans-83.1-6.2179.5-65.472.5-144.100113.7D224 N228D224-E226 PolarHBondContact O-N 3.32Å; D224-E226 VanDerWaalsContact O-N 3.14Å; D224-E226 VanDerWaalsContact OD1-C 3.31Å; D224-E226 VanDerWaalsContact OD1-CA 3.32Å; D224-E226 WeakPolarHBondContact OD1-CA 3.42Å; D224-E226 WeakPolarHBondContact OD1-CB 3.07Å; D224-E226 PolarHBondContact OD1-N 3.1Å; E226-N228 VanDerWaalsContact C-N 3.34Å; E226-N228 VanDerWaalsContact CB-ND2 3.29Å; E226-N228 WeakPolarHBondContact CB-ND2 3.23Å
227G70.1Confident66.9Low34 Ų3462.2 Ų62.235%0.35133%0.325SS..SBendtrans80.111.7-177.100000113.9D224 A225D224-G227 PolarHBondContact O-N 3.36Å; D224-G227 PolarHBondContact OD1-N 3.25Å; A225-G227 VanDerWaalsContact C-N 3.32Å
228N74Confident64.5Low56 Ų5666.1 Ų66.130%0.29934%0.341SS..  trans-82.4145.1172.8-38.3-72.6000109.7R37 L223 D224 E226 A230R37-N228 PolarHBondContact NH1-OD1 3.46Å; L223-N228 CarbonylContact C-O 3.57Å; L223-N228 VanDerWaalsContact CA-O 3.23Å; L223-N228 WeakPolarHBondContact CA-O 3.46Å; D224-N228 PolarHBondContact N-O 3.24Å; D224-N228 PolarHBondContact OD1-N 2.98Å; D224-N228 PolarHBondContact OD1-ND2 3.05Å; D224-N228 WeakPolarHBondContact OD2-CB 3.14Å; D224-N228 PolarHBondContact OD2-ND2 3.4Å; E226-N228 VanDerWaalsContact C-N 3.34Å; E226-N228 VanDerWaalsContact CB-ND2 3.29Å; E226-N228 WeakPolarHBondContact CB-ND2 3.23Å; N228-A230 PolarHBondContact O-N 2.92Å; N228-A230 VanDerWaalsContact O-N 3.15Å
229E72.5Confident61.7Low101 Ų10170.9 Ų70.947%0.47236%0.358SS..BIsolated β-bridgetrans-63.6117172.4-169.2-175.6134.900110Y233E229-Y233 VanDerWaalsContact CD-CE2 3.4Å; E229-Y233 HydrophobicContact CG-CE2 4.13Å; E229-Y233 WeakPolarHBondContact OE1-CD2 3.37Å; E229-Y233 WeakPolarHBondContact OE1-CE2 3.32Å
230A70.1Confident59Low14 Ų1473.5 Ų73.512%0.11639%0.387CS..  trans-108.7-18.8-171.900000112.7F158 L222 D224 N228F158-A230 HydrophobicContact CD1-CB 4.16Å; F158-A230 HydrophobicContact CE1-CB 3.43Å; F158-A230 VanDerWaalsContact CE1-CB 3.43Å; F158-A230 HydrophobicContact CZ-CB 4.31Å; L222-A230 PolarHBondContact O-N 3.49Å; D224-A230 HydrophobicContact CB-CB 4.05Å; N228-A230 PolarHBondContact O-N 2.92Å; N228-A230 VanDerWaalsContact O-N 3.15Å
231A64Low56.3Low4 Ų484.8 Ų84.83%0.03345%0.446CS..SBendtrans-94.1128171.800000111.3I132 I134 L222 Y233I132-A231 HydrophobicContact CG2-CB 4.2Å; I132-A231 WeakPolarHBondContact O-CA 3.27Å; I134-A231 HydrophobicContact CG1-CB 4.5Å; L222-A231 HydrophobicContact CB-CB 3.63Å; L222-A231 HydrophobicContact CD2-CB 4.16Å; A231-Y233 PolarHBondContact O-N 3.06Å
232N55.8Low54.8Low110 Ų11084 Ų8459%0.58845%0.45SS*.PPolyproline II helixtrans-72.1116.2165.6-68.6-68.9000108.3I132 S133 L234I132-N232 PolarHBondContact O-N 2.96Å; S133-N232 WeakPolarHBondContact CB-O 3.45Å; N232-L234 PolarHBondContact O-N 3.18Å
233Y51.7Low53.1Low66 Ų6688.4 Ų88.426%0.25947%0.473SS..PPolyproline II helixtrans-63.9121.3168.5-69.6-86000110.6E219 D220 R221 E229 A231 F235E219-Y233 VanDerWaalsContact CG-OH 3.27Å; E219-Y233 WeakPolarHBondContact CG-OH 3.46Å; D220-Y233 VanDerWaalsContact C-CE1 3.46Å; D220-Y233 VanDerWaalsContact C-CZ 3.49Å; D220-Y233 HydrophobicContact CB-CE1 3.93Å; D220-Y233 PolarHBondContact N-OH 2.75Å; D220-Y233 WeakPolarHBondContact O-CE1 3.48Å; D220-Y233 PolarHBondContact O-OH 3.31Å; R221-Y233 WeakPolarHBondContact CA-OH 3.32Å; R221-Y233 HydrophobicContact CG-CE2 4.47Å; R221-Y233 WeakPolarHBondContact CG-OH 3.36Å; R221-Y233 PolarHBondContact N-OH 3.49Å; E229-Y233 VanDerWaalsContact CD-CE2 3.4Å; E229-Y233 HydrophobicContact CG-CE2 4.13Å; E229-Y233 WeakPolarHBondContact OE1-CD2 3.37Å; E229-Y233 WeakPolarHBondContact OE1-CE2 3.32Å; A231-Y233 PolarHBondContact O-N 3.06Å; Y233-F235 PolarHBondContact O-N 3.06Å
234L39.9Very low51.3Low128 Ų12891.9 Ų91.967%0.6749%0.492SS*.  trans-74.9114.5141.9-10688000105.8N232 C236N232-L234 PolarHBondContact O-N 3.18Å; L234-C236 VanDerWaalsContact C-N 3.26Å; L234-C236 PolarHBondContact O-N 2.96Å
235F34.3Very low49.7Very low190 Ų19096.3 Ų96.383%0.83352%0.516SS*.  trans-53.692.9166.9-113.7-92.3000108.7Y233 V237Y233-F235 PolarHBondContact O-N 3.06Å; F235-V237 VanDerWaalsContact C-N 3.33Å; F235-V237 HydrophobicContact CD1-CG2 4.35Å; F235-V237 PolarHBondContact O-N 3.17Å; F235-V237 VanDerWaalsContact O-N 3.12Å
236C31.7Very low48.7Very low56 Ų56100.5 Ų100.538%0.37853%0.533SS..  trans-80.689.7167-71.30000106.9L234 F238L234-C236 VanDerWaalsContact C-N 3.26Å; L234-C236 PolarHBondContact O-N 2.96Å; C236-F238 HydrophobicContact CB-CD2 3.77Å; C236-F238 HydrophobicContact CB-CE1 4.38Å; C236-F238 HydrophobicContact CB-CE2 3.21Å; C236-F238 HydrophobicContact CB-CZ 3.57Å; C236-F238 VanDerWaalsContact O-CD2 3.32Å; C236-F238 WeakPolarHBondContact O-CD2 3.32Å; C236-F238 PolarHBondContact O-N 2.98Å
237V28Very low47.4Very low121 Ų121102.9 Ų102.973%0.73355%0.549SS*.  trans-66.587.9162.2-177.80000106.6F235 K239F235-V237 VanDerWaalsContact C-N 3.33Å; F235-V237 HydrophobicContact CD1-CG2 4.35Å; F235-V237 PolarHBondContact O-N 3.17Å; F235-V237 VanDerWaalsContact O-N 3.12Å; V237-K239 PolarHBondContact O-N 3.03Å; V237-K239 VanDerWaalsContact O-N 3.13Å
238F34.9Very low45.8Very low126 Ų126107.9 Ų107.955%0.55356%0.563SS**  trans-70.9107.1167.9-66.3-78.6000107.3S137 C236 A240S137-F238 WeakPolarHBondContact O-CZ 3.2Å; C236-F238 HydrophobicContact CB-CD2 3.77Å; C236-F238 HydrophobicContact CB-CE1 4.38Å; C236-F238 HydrophobicContact CB-CE2 3.21Å; C236-F238 HydrophobicContact CB-CZ 3.57Å; C236-F238 VanDerWaalsContact O-CD2 3.32Å; C236-F238 WeakPolarHBondContact O-CD2 3.32Å; C236-F238 PolarHBondContact O-N 2.98Å; F238-A240 PolarHBondContact O-N 3.36Å
239K25.4Very low43.6Very low194 Ų194111.8 Ų111.884%0.84358%0.583SS**  trans-59.4120.9153.5-95.3-178172.1179.90106V237 L241V237-K239 PolarHBondContact O-N 3.03Å; V237-K239 VanDerWaalsContact O-N 3.13Å; K239-L241 PolarHBondContact O-N 2.78Å
240A27.1Very low41.2Very low99 Ų99112.8 Ų112.882%0.81859%0.592SS**  trans-50.7123.1162.400000108F238F238-A240 PolarHBondContact O-N 3.36Å
241L31.7Very low38.6Very low245 Ų245121.7 Ų121.7100%1.28364%0.636SS**  trans-88.70153-80.8169.7000107.1K239K239-L241 PolarHBondContact O-N 2.78Å

Retrieved 241 of 241 residues in 285.1 ms (Link to these results)