A0A087XL13_POEFO Loading...

Vacuolar protein sorting-associated protein 26C

Component of the commander complex that is essential for endosomal recycling of transmembrane cargos; the commander complex is composed of the CCC subcomplex and the retriever subcomplex. Component of the retriever complex, which is a heterotrimeric complex related to retromer cargo-selective complex (CSC) and essential for retromer-independent retrieval and recycling of numerous cargos such as integrin alpha-5/beta-1 (ITGA5:ITGB1). The recruitment of the retriever complex to the endosomal membrane involves CCC and WASH complexes. In the endosomes, drives the retriever and recycling of NxxY-motif-containing cargo proteins by coupling to SNX17, a cargo essential for the homeostatic maintenance of numerous cell surface proteins associated with processes that include cell migration, cell adhesion, nutrient supply and cell signaling.

AlphaFold DB , UniProt , Accession A0A087XL13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 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
1P37.9Very low43.9Very low180 Ų180129.9 Ų129.9100%1.16979%0.791SS**  095.6014.110000109.7G3P1-G3 PolarHBondContact O-N 2.62Å
2F34.8Very low47.7Very low219 Ų219121 Ų12196%0.96174%0.737SS**  trans-67.3107.9-175.6-73-92.2000110.7G4F2-G4 PolarHBondContact O-N 2.98Å
3G37Very low51.3Low78 Ų78117.4 Ų117.480%0.80472%0.715SS**  trans-79.392.4163.100000108.7P1P1-G3 PolarHBondContact O-N 2.62Å
4G31.6Very low54.5Low57 Ų57110.2 Ų110.259%0.58867%0.67SS**  trans-64.1146168.300000110.2F2 L6F2-G4 PolarHBondContact O-N 2.98Å; G4-L6 PolarHBondContact O-N 2.88Å
5P38.3Very low57.3Low128 Ų128106.3 Ų106.383%0.83164%0.644SS**  trans-63.6124.8174.426.6-30.2000108.1S7P5-S7 PolarHBondContact O-N 2.75Å
6L39.2Very low59.9Low177 Ų177100.2 Ų100.293%0.92761%0.606SS**  trans-50.8109.4161.6-82.2143.4000106.6G4 S8G4-L6 PolarHBondContact O-N 2.88Å; L6-S8 PolarHBondContact O-N 2.81Å
7S39.3Very low62.1Low107 Ų10799.9 Ų99.975%0.74860%0.595SS**  trans-54.3111.9174.854.20000107.1P5 E9P5-S7 PolarHBondContact O-N 2.75Å; S7-E9 PolarHBondContact O-N 2.9Å
8S41.8Very low64.1Low100 Ų10095.7 Ų95.770%0.69957%0.569SS**  trans-54.6109.3167.455.60000106.5L6 M10L6-S8 PolarHBondContact O-N 2.81Å; S8-M10 PolarHBondContact O-N 2.8Å
9E48.8Very low65.8Low183 Ų183100 Ų10086%0.85558%0.58SS**  trans-48.8117.4171.9-92-174.3138.600107.5S7 S11S7-E9 PolarHBondContact O-N 2.9Å; E9-S11 VanDerWaalsContact C-N 3.31Å; E9-S11 PolarHBondContact O-N 2.81Å
10M56.7Low67.3Low135 Ų13599 Ų9967%0.66557%0.566SS**  trans-60.899.1174.1-77.1-164.6-96.700107.2S8 V12S8-M10 PolarHBondContact O-N 2.8Å; M10-V12 PolarHBondContact O-N 3.08Å
11S77.8Confident68.6Low65 Ų6599.1 Ų99.146%0.45558%0.579SS.*  trans-72.179.2-178.666.50000109.3E9E9-S11 VanDerWaalsContact C-N 3.31Å; E9-S11 PolarHBondContact O-N 2.81Å
12V89.7Confident71.2Confident23 Ų2395.6 Ų95.614%0.13955%0.55CS..  trans-81.3124166.5176.60000107.3M10 L37 C38 L43 L142M10-V12 PolarHBondContact O-N 3.08Å; V12-L37 HydrophobicContact CG1-CD2 4.39Å; V12-C38 WeakPolarHBondContact CA-O 3.36Å; V12-L43 HydrophobicContact CB-CD2 4.48Å; V12-L43 HydrophobicContact CG1-CD2 3.65Å; V12-L43 HydrophobicContact CG2-CD1 4.25Å; V12-L43 HydrophobicContact CG2-CD2 4.03Å; V12-L142 HydrophobicContact CB-CD1 3.84Å; V12-L142 HydrophobicContact CG1-CD1 3.41Å; V12-L142 VanDerWaalsContact CG1-CD1 3.41Å
13T93.5Very high74.1Confident74 Ų7489.4 Ų89.445%0.45452%0.523SS..EExtended strand (participates in β ladder)trans-111.3131175.563.80000110.3L37 C38T13-L37 WeakPolarHBondContact O-CA 3.39Å; T13-C38 PolarHBondContact N-O 3.44Å; T13-C38 PolarHBondContact O-N 2.81Å; T13-C38 VanDerWaalsContact OG1-CB 3.3Å; T13-C38 WeakPolarHBondContact OG1-CB 3.46Å
14L96.4Very high76.9Confident17 Ų1786.8 Ų86.89%0.08949%0.491CS..EExtended strand (participates in β ladder)trans-112.5126.8173.6175.766.7000108.8V35 L37 C131 L133 L142 R144L14-V35 HydrophobicContact CD1-CG1 3.57Å; L14-L37 HydrophobicContact CB-CD2 4.19Å; L14-L37 HydrophobicContact CD1-CD2 3.7Å; L14-L37 HydrophobicContact CD1-CG 3.93Å; L14-C131 HydrophobicContact CD2-CB 4.21Å; L14-L133 HydrophobicContact CD2-CB 4.18Å; L14-L142 HydrophobicContact CB-CB 4.44Å; L14-L142 HydrophobicContact CD2-CB 4.17Å; L14-R144 HydrophobicContact CD2-CB 4.11Å; L14-R144 HydrophobicContact CG-CB 4.01Å; L14-R144 WeakPolarHBondContact O-CD 3.39Å
15D97.2Very high80Confident52 Ų5284.3 Ų84.328%0.27846%0.464SS..EExtended strand (participates in β ladder)trans-137.4155.5179.9-161.230000112.6K17 V35 T36 R144D15-K17 WeakPolarHBondContact OD2-CE 3.02Å; D15-V35 CarbonylContact O-C 3.51Å; D15-V35 WeakPolarHBondContact O-CA 3.43Å; D15-T36 PolarHBondContact N-O 2.75Å; D15-T36 PolarHBondContact O-N 2.91Å; D15-R144 IonicContact OD1-NE 3.35Å; D15-R144 PolarHBondContact OD1-NE 2.96Å; D15-R144 IonicContact OD1-NH2 3.96Å
16I98.2Very high82.7Confident8 Ų880.6 Ų80.64%0.04144%0.436CS..EExtended strand (participates in β ladder)trans-119.3121.8175.5-57.5171.3000107.9L50 F102 L129 C131 R144 C146I16-L50 HydrophobicContact CD1-CD1 3.96Å; I16-L50 HydrophobicContact CG1-CD1 4.45Å; I16-F102 HydrophobicContact CG2-CE1 3.96Å; I16-F102 HydrophobicContact CG2-CZ 3.91Å; I16-L129 HydrophobicContact CD1-CB 4.11Å; I16-L129 HydrophobicContact CG2-CB 4.44Å; I16-L129 HydrophobicContact CG2-CD1 3.98Å; I16-C131 HydrophobicContact CD1-CB 3.82Å; I16-C131 HydrophobicContact CG1-CB 3.97Å; I16-R144 WeakPolarHBondContact CD1-O 3.44Å; I16-R144 HydrophobicContact CG1-CG 4.43Å; I16-C146 HydrophobicContact CB-CB 3.99Å; I16-C146 HydrophobicContact CD1-CB 4.21Å; I16-C146 HydrophobicContact CG2-CB 4.08Å
17K97.3Very high85.3Confident95 Ų9574.9 Ų74.941%0.41340%0.404SS..EExtended strand (participates in β ladder)trans-117.9111.3177.9-64-175.8-179.1-178.80110.2D15 G33 V34D15-K17 WeakPolarHBondContact OD2-CE 3.02Å; K17-G33 CarbonylContact O-C 3.39Å; K17-G33 WeakPolarHBondContact O-CA 3.39Å; K17-V34 HydrophobicContact CB-CG2 3.92Å; K17-V34 PolarHBondContact N-O 2.83Å; K17-V34 PolarHBondContact O-N 3.39Å
18L98.1Very high87.9Confident24 Ų2472.3 Ų72.313%0.12640%0.395CS..EExtended strand (participates in β ladder)trans-70141172.5-69.4169.9000110.2R20 K23 Y25 V31 F102 L129 F148L18-R20 PolarHBondContact O-N 3.29Å; L18-K23 HydrophobicContact CD1-CB 3.98Å; L18-K23 HydrophobicContact CD1-CD 4.02Å; L18-K23 HydrophobicContact CD1-CG 3.81Å; L18-Y25 HydrophobicContact CD1-CE2 4.37Å; L18-V31 HydrophobicContact CD2-CG1 3.61Å; L18-F102 HydrophobicContact CD2-CE2 4.46Å; L18-F102 HydrophobicContact CD2-CZ 4.2Å; L18-L129 HydrophobicContact CD2-CD1 3.53Å; L18-L129 HydrophobicContact CG-CD1 4.44Å; L18-F148 HydrophobicContact CD1-CB 3.89Å
19K96.5Very high90.5Very high178 Ų17870.2 Ų70.277%0.77437%0.374SS*.SBendtrans-64.5-29.6175.5-175.4177.5179.7179.10112A32K19-A32 WeakPolarHBondContact CB-O 3.48Å; K19-A32 PolarHBondContact N-O 3Å
20R96.3Very high92.8Very high80 Ų8064.9 Ų64.930%0.30235%0.354SS..SBendtrans-94.4119-177.6-169.8-179.8-75.6-176.9-3.5110.6L18 N22 K23 V24 Y25 E29L18-R20 PolarHBondContact O-N 3.29Å; R20-N22 VanDerWaalsContact CD-OD1 3.26Å; R20-N22 WeakPolarHBondContact CD-OD1 3.39Å; R20-N22 WeakPolarHBondContact CG-OD1 3.34Å; R20-N22 PolarHBondContact O-N 2.88Å; R20-K23 PolarHBondContact O-N 2.99Å; R20-V24 WeakPolarHBondContact CD-O 3.34Å; R20-V24 PolarHBondContact NH1-O 3.2Å; R20-Y25 HydrophobicContact CB-CE1 4.34Å; R20-Y25 WeakPolarHBondContact CB-OH 3.22Å; R20-E29 IonicContact CZ-OE1 3.48Å; R20-E29 IonicContact CZ-OE2 3.62Å; R20-E29 IonicContact NH1-OE1 3.23Å; R20-E29 PolarHBondContact NH1-OE1 3.47Å; R20-E29 IonicContact NH1-OE2 2.73Å; R20-E29 PolarHBondContact NH1-OE2 3.38Å; R20-E29 IonicContact NH2-OE1 2.76Å; R20-E29 PolarHBondContact NH2-OE1 2.85Å; R20-E29 IonicContact NH2-OE2 3.57Å
21A93.4Very high94.8Very high101 Ų10158.5 Ų58.584%0.83532%0.322SS*.THydrogen-bonded Turntrans-64.8-40.2-172.600000114.3K23A21-K23 VanDerWaalsContact C-N 3.25Å; A21-K23 PolarHBondContact O-N 2.83Å
22N93.2Very high95.7Very high106 Ų10655.9 Ų55.957%0.56731%0.305SS*.THydrogen-bonded Turntrans-77.4-11.217971.6-4.5000113.3R20 V24R20-N22 VanDerWaalsContact CD-OD1 3.26Å; R20-N22 WeakPolarHBondContact CD-OD1 3.39Å; R20-N22 WeakPolarHBondContact CG-OD1 3.34Å; R20-N22 PolarHBondContact O-N 2.88Å; N22-V24 HydrophobicContact CB-CG2 4.37Å; N22-V24 WeakPolarHBondContact O-CG2 3.16Å; N22-V24 PolarHBondContact O-N 2.89Å; N22-V24 VanDerWaalsContact O-N 3.07Å; N22-V24 PolarHBondContact OD1-N 2.84Å; N22-V24 VanDerWaalsContact OD1-N 3.11Å
23K96.2Very high96.1Very high89 Ų8955.3 Ų55.339%0.38730%0.303SS..  trans55.319.5-178.1-47.7-179179.6-178.50115L18 R20 A21 Y25 F148 I149L18-K23 HydrophobicContact CD1-CB 3.98Å; L18-K23 HydrophobicContact CD1-CD 4.02Å; L18-K23 HydrophobicContact CD1-CG 3.81Å; R20-K23 PolarHBondContact O-N 2.99Å; A21-K23 VanDerWaalsContact C-N 3.25Å; A21-K23 PolarHBondContact O-N 2.83Å; K23-Y25 WeakPolarHBondContact O-CD2 3.47Å; K23-F148 HydrophobicContact CB-CB 4.37Å; K23-I149 PolarHBondContact O-N 2.84Å
24V95.2Very high96.3Very high24 Ų2453.6 Ų53.615%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-94.8131.7178-179.60000109R20 N22 I149 H151R20-V24 WeakPolarHBondContact CD-O 3.34Å; R20-V24 PolarHBondContact NH1-O 3.2Å; N22-V24 HydrophobicContact CB-CG2 4.37Å; N22-V24 WeakPolarHBondContact O-CG2 3.16Å; N22-V24 PolarHBondContact O-N 2.89Å; N22-V24 VanDerWaalsContact O-N 3.07Å; N22-V24 PolarHBondContact OD1-N 2.84Å; N22-V24 VanDerWaalsContact OD1-N 3.11Å; V24-I149 CarbonylContact C-O 3.55Å; V24-I149 WeakPolarHBondContact CA-O 3.36Å; V24-I149 HydrophobicContact CG2-CB 4.12Å; V24-I149 HydrophobicContact CG2-CG2 4.32Å; V24-H151 HydrophobicContact CG1-CB 4.29Å; V24-H151 WeakPolarHBondContact CG1-ND1 3.36Å
25Y96.5Very high96.4Very high4 Ų452.8 Ų52.82%0.01629%0.289CS..EExtended strand (participates in β ladder)trans-133.7162.4-179.4-63-93.9000111.5L18 R20 K23 E29 T30 V31 F148 I149 V150 H151L18-Y25 HydrophobicContact CD1-CE2 4.37Å; R20-Y25 HydrophobicContact CB-CE1 4.34Å; R20-Y25 WeakPolarHBondContact CB-OH 3.22Å; K23-Y25 WeakPolarHBondContact O-CD2 3.47Å; Y25-E29 VanDerWaalsContact CA-OE2 3.22Å; Y25-E29 WeakPolarHBondContact CA-OE2 3.38Å; Y25-T30 WeakPolarHBondContact CE1-O 3.47Å; Y25-V31 HydrophobicContact CD1-CG2 4Å; Y25-V31 HydrophobicContact CD2-CG2 4.39Å; Y25-V31 HydrophobicContact CE1-CB 4.42Å; Y25-V31 HydrophobicContact CE1-CG2 4.15Å; Y25-V31 HydrophobicContact CE2-CG1 4.45Å; Y25-V31 HydrophobicContact CG-CG2 4.12Å; Y25-F148 HydrophobicContact CD2-CB 4.12Å; Y25-F148 AromaticContact CD2-CD2 3.71Å; Y25-F148 HydrophobicContact CD2-CD2 3.71Å; Y25-F148 HydrophobicContact CD2-CG 4.25Å; Y25-F148 HydrophobicContact CE2-CB 4.06Å; Y25-F148 HydrophobicContact CE2-CD2 4.31Å; Y25-F148 HydrophobicContact CE2-CG 4.43Å; Y25-F148 HydrophobicContact CG-CD2 4.42Å; Y25-I149 PolarHBondContact N-O 3.16Å; Y25-V150 CarbonylContact O-C 3.59Å; Y25-V150 VanDerWaalsContact O-CA 3.31Å; Y25-V150 WeakPolarHBondContact O-CA 3.42Å; Y25-H151 PolarHBondContact O-N 2.92Å
26H95.1Very high96.4Very high51 Ų5150.6 Ų50.624%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-125.3154.8172.6-53.881.4000109.8G28 E29H26-G28 PolarHBondContact O-N 2.68Å; H26-E29 HydrophobicContact CB-CG 4.45Å; H26-E29 PolarHBondContact N-OE2 3.31Å; H26-E29 IonicContact ND1-OE2 3.28Å; H26-E29 VanDerWaalsContact O-CB 3.3Å; H26-E29 WeakPolarHBondContact O-CB 3.3Å; H26-E29 WeakPolarHBondContact O-CG 3.37Å; H26-E29 PolarHBondContact O-N 3.23Å; H26-E29 VanDerWaalsContact O-N 3.09Å
27E94Very high96.3Very high57 Ų5750.2 Ų50.227%0.26628%0.275SS..THydrogen-bonded Turntrans-54.8134.9174.7-177.2169-149.100111.4S108 L114 Q153E27-S108 WeakPolarHBondContact OE1-CB 3.39Å; E27-S108 PolarHBondContact OE1-N 2.76Å; E27-S108 PolarHBondContact OE1-OG 3.39Å; E27-L114 HydrophobicContact CB-CD1 4.12Å; E27-L114 HydrophobicContact CG-CD1 4.04Å; E27-L114 HydrophobicContact CG-CG 4.43Å; E27-Q153 PolarHBondContact O-NE2 3.06Å
28G93.6Very high96.2Very high53 Ų5347.8 Ų47.855%0.54627%0.27SS..THydrogen-bonded Turntrans96.1-13.9-174.200000114.2H26 L106H26-G28 PolarHBondContact O-N 2.68Å; G28-L106 PolarHBondContact N-O 2.73Å
29E96.2Very high96Very high56 Ų5647 Ų4726%0.26227%0.266SS..  trans-82.8168.1177.1-62.6-169.111400113.3R20 Y25 H26 L106R20-E29 IonicContact CZ-OE1 3.48Å; R20-E29 IonicContact CZ-OE2 3.62Å; R20-E29 IonicContact NH1-OE1 3.23Å; R20-E29 PolarHBondContact NH1-OE1 3.47Å; R20-E29 IonicContact NH1-OE2 2.73Å; R20-E29 PolarHBondContact NH1-OE2 3.38Å; R20-E29 IonicContact NH2-OE1 2.76Å; R20-E29 PolarHBondContact NH2-OE1 2.85Å; R20-E29 IonicContact NH2-OE2 3.57Å; Y25-E29 VanDerWaalsContact CA-OE2 3.22Å; Y25-E29 WeakPolarHBondContact CA-OE2 3.38Å; H26-E29 HydrophobicContact CB-CG 4.45Å; H26-E29 PolarHBondContact N-OE2 3.31Å; H26-E29 IonicContact ND1-OE2 3.28Å; H26-E29 VanDerWaalsContact O-CB 3.3Å; H26-E29 WeakPolarHBondContact O-CB 3.3Å; H26-E29 WeakPolarHBondContact O-CG 3.37Å; H26-E29 PolarHBondContact O-N 3.23Å; H26-E29 VanDerWaalsContact O-N 3.09Å; E29-L106 VanDerWaalsContact O-CB 3.25Å; E29-L106 WeakPolarHBondContact O-CB 3.25Å; E29-L106 PolarHBondContact O-N 3.37Å
30T97.5Very high95.7Very high71 Ų7146.7 Ų46.744%0.43627%0.265SS..EExtended strand (participates in β ladder)trans-100.7124.1174.1-53.20000110.9Y25 A32 E103 F104Y25-T30 WeakPolarHBondContact CE1-O 3.47Å; T30-A32 HydrophobicContact CG2-CB 4.31Å; T30-A32 PolarHBondContact O-N 2.93Å; T30-E103 HydrophobicContact CG2-CB 3.83Å; T30-E103 HydrophobicContact CG2-CG 4.28Å; T30-F104 CarbonylContact C-O 3.59Å; T30-F104 WeakPolarHBondContact CA-O 3.29Å
31V98.1Very high95.5Very high0 Ų049 Ų490%028%0.279CS..EExtended strand (participates in β ladder)trans-84.9101.6168.7-176.60000108.1L18 Y25 M52 F104 L106 L129 F148L18-V31 HydrophobicContact CD2-CG1 3.61Å; Y25-V31 HydrophobicContact CD1-CG2 4Å; Y25-V31 HydrophobicContact CD2-CG2 4.39Å; Y25-V31 HydrophobicContact CE1-CB 4.42Å; Y25-V31 HydrophobicContact CE1-CG2 4.15Å; Y25-V31 HydrophobicContact CE2-CG1 4.45Å; Y25-V31 HydrophobicContact CG-CG2 4.12Å; V31-M52 HydrophobicContact CB-SD 4.36Å; V31-M52 HydrophobicContact CG2-SD 4.16Å; V31-F104 HydrophobicContact CB-CB 4.39Å; V31-F104 PolarHBondContact N-O 2.63Å; V31-F104 PolarHBondContact O-N 2.88Å; V31-L106 HydrophobicContact CG2-CB 4.18Å; V31-L106 HydrophobicContact CG2-CD2 4.4Å; V31-L129 HydrophobicContact CG1-CD1 3.99Å; V31-L129 HydrophobicContact CG1-CD2 4.48Å; V31-L129 HydrophobicContact CG1-CG 4.49Å; V31-F148 HydrophobicContact CG2-CD2 4.35Å; V31-F148 HydrophobicContact CG2-CE2 3.88Å; V31-F148 HydrophobicContact CG2-CZ 4.05Å
32A98.1Very high95.5Very high11 Ų1147.6 Ų47.69%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-117.9151.5-176.400000112.2K19 T30 F102 E103K19-A32 WeakPolarHBondContact CB-O 3.48Å; K19-A32 PolarHBondContact N-O 3Å; T30-A32 HydrophobicContact CG2-CB 4.31Å; T30-A32 PolarHBondContact O-N 2.93Å; A32-F102 WeakPolarHBondContact CA-O 3.26Å; A32-E103 HydrophobicContact CB-CG 3.89Å
33G98.1Very high95.5Very high10 Ų1043.7 Ų43.710%0.10324%0.24CC..EExtended strand (participates in β ladder)trans-179.7-161.9-179.900000113.4K17 P101 F102K17-G33 CarbonylContact O-C 3.39Å; K17-G33 WeakPolarHBondContact O-CA 3.39Å; G33-P101 WeakPolarHBondContact O-CA 3.19Å; G33-F102 VanDerWaalsContact C-CD1 3.48Å; G33-F102 PolarHBondContact N-O 2.8Å; G33-F102 VanDerWaalsContact N-O 3.08Å; G33-F102 WeakPolarHBondContact O-CD1 3.39Å; G33-F102 PolarHBondContact O-N 2.86Å
34V98.1Very high95.4Very high39 Ų3945.6 Ų45.624%0.23625%0.25CS..EExtended strand (participates in β ladder)trans-130.6136.8174.3-62.30000110.8K17 E99 I100 P101 F102K17-V34 HydrophobicContact CB-CG2 3.92Å; K17-V34 PolarHBondContact N-O 2.83Å; K17-V34 PolarHBondContact O-N 3.39Å; V34-E99 HydrophobicContact CB-CB 4.47Å; V34-I100 CarbonylContact C-O 3.59Å; V34-I100 WeakPolarHBondContact CA-O 3.09Å; V34-P101 HydrophobicContact CG1-CB 4.49Å; V34-F102 VanDerWaalsContact N-CE1 3.34Å
35V98.1Very high95.4Very high0 Ų044.7 Ų44.70%025%0.245CC..EExtended strand (participates in β ladder)trans-81.7124.7161.31760000107.2L14 D15 L50 E99 I100 F102L14-V35 HydrophobicContact CD1-CG1 3.57Å; D15-V35 CarbonylContact O-C 3.51Å; D15-V35 WeakPolarHBondContact O-CA 3.43Å; V35-L50 HydrophobicContact CG2-CD1 4.25Å; V35-L50 HydrophobicContact CG2-CD2 4.24Å; V35-E99 WeakPolarHBondContact O-CA 3.19Å; V35-I100 HydrophobicContact CB-CB 4.44Å; V35-I100 PolarHBondContact N-O 3.31Å; V35-I100 PolarHBondContact O-N 2.81Å; V35-F102 HydrophobicContact CG2-CD1 4.01Å; V35-F102 HydrophobicContact CG2-CE1 4.34Å
36T97.2Very high95.4Very high5 Ų549 Ų493%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-106.9127.1178.4-53.50000110D15 K97 T98 E99D15-T36 PolarHBondContact N-O 2.75Å; D15-T36 PolarHBondContact O-N 2.91Å; T36-K97 HydrophobicContact CG2-CD 4.33Å; T36-K97 HydrophobicContact CG2-CG 3.97Å; T36-T98 WeakPolarHBondContact CA-O 3.12Å; T36-E99 HydrophobicContact CG2-CG 4.5Å
37L96.3Very high95.5Very high0 Ų046.9 Ų46.90%026%0.26CS..EExtended strand (participates in β ladder)trans-117.9124.3172.5-81.5159.5000109.4V12 T13 L14 I48 I93 K97 T98 I100 L133V12-L37 HydrophobicContact CG1-CD2 4.39Å; T13-L37 WeakPolarHBondContact O-CA 3.39Å; L14-L37 HydrophobicContact CB-CD2 4.19Å; L14-L37 HydrophobicContact CD1-CD2 3.7Å; L14-L37 HydrophobicContact CD1-CG 3.93Å; L37-I48 HydrophobicContact CD1-CD1 3.58Å; L37-I93 HydrophobicContact CD1-CG1 4.33Å; L37-K97 CarbonylContact O-C 3.56Å; L37-K97 WeakPolarHBondContact O-CA 3.28Å; L37-T98 PolarHBondContact N-O 3.04Å; L37-T98 PolarHBondContact O-N 3.11Å; L37-I100 HydrophobicContact CD1-CD1 4.46Å; L37-L133 HydrophobicContact CD2-CD2 3.99Å
38C94.9Very high95.6Very high45 Ų4544.2 Ų44.230%0.30425%0.247SC..EExtended strand (participates in β ladder)trans-115.5121.5170.4-54.10000109.2V12 T13 G96V12-C38 WeakPolarHBondContact CA-O 3.36Å; T13-C38 PolarHBondContact N-O 3.44Å; T13-C38 PolarHBondContact O-N 2.81Å; T13-C38 VanDerWaalsContact OG1-CB 3.3Å; T13-C38 WeakPolarHBondContact OG1-CB 3.46Å; C38-G96 WeakPolarHBondContact CA-O 3.46Å
39C92.8Very high95.9Very high7 Ų743.6 Ų43.65%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-129.3140.3179.2-50.70000108.8E41 L43 G96C39-E41 VanDerWaalsContact CB-O 3.25Å; C39-E41 WeakPolarHBondContact CB-O 3.43Å; C39-L43 HydrophobicContact CB-CB 4.44Å; C39-G96 PolarHBondContact N-O 3.34Å; C39-G96 PolarHBondContact O-N 3.36Å
40K91.3Very high96Very high172 Ų17241 Ų4175%0.74823%0.225SC*.SBendtrans-72.6-39.2173-68.9-176.9-179.4177.20111.5
41E91.9Very high96Very high129 Ų12938.5 Ų38.560%0.60321%0.21SC*.SBendtrans-120.9161.8-179.9-67.5-177.8-173.800110.5C39 L43C39-E41 VanDerWaalsContact CB-O 3.25Å; C39-E41 WeakPolarHBondContact CB-O 3.43Å; E41-L43 PolarHBondContact O-N 2.87Å
42P92.9Very high96Very high71 Ų7138.5 Ų38.546%0.46121%0.21SC..  trans-55.2124.9174.4-29.438.3000113.3K92 I93P42-K92 HydrophobicContact CB-CD 4.1Å; P42-K92 HydrophobicContact CB-CG 4.26Å; P42-I93 CarbonylContact C-O 3.57Å; P42-I93 WeakPolarHBondContact CA-O 3.35Å
43L93.1Very high96Very high24 Ų2440.6 Ų40.613%0.12622%0.22CC..EExtended strand (participates in β ladder)trans-104.5121.1-175177.666.3000111.7V12 C39 E41 K92 I93 L133V12-L43 HydrophobicContact CB-CD2 4.48Å; V12-L43 HydrophobicContact CG1-CD2 3.65Å; V12-L43 HydrophobicContact CG2-CD1 4.25Å; V12-L43 HydrophobicContact CG2-CD2 4.03Å; C39-L43 HydrophobicContact CB-CB 4.44Å; E41-L43 PolarHBondContact O-N 2.87Å; L43-K92 CarbonylContact O-C 3.5Å; L43-K92 WeakPolarHBondContact O-CA 3.21Å; L43-I93 HydrophobicContact CB-CB 4.43Å; L43-I93 PolarHBondContact N-O 3.4Å; L43-I93 PolarHBondContact O-N 3.11Å; L43-L133 HydrophobicContact CD2-CD2 3.84Å
44Q94.8Very high95.9Very high129 Ų12940.2 Ų40.260%0.60322%0.216SC*.EExtended strand (participates in β ladder)trans-80.1139.7170.1-167170.88.500110.8G91 P136Q44-G91 WeakPolarHBondContact CA-O 3.44Å; Q44-P136 HydrophobicContact CB-CG 4.09Å; Q44-P136 HydrophobicContact CG-CG 3.88Å; Q44-P136 WeakPolarHBondContact O-CD 3.24Å
45H95.3Very high95.9Very high5 Ų540.8 Ų40.82%0.02322%0.217CC..EExtended strand (participates in β ladder)trans-145.2154.8-179.568.3104.5000112G47 K89 A90 G91 L133 K134H45-G47 VanDerWaalsContact C-N 3.33Å; H45-G47 PolarHBondContact ND1-N 2.92Å; H45-K89 PolarHBondContact CE1-O 2.8Å; H45-A90 CarbonylContact O-C 3.53Å; H45-A90 WeakPolarHBondContact O-CA 3.41Å; H45-G91 VanDerWaalsContact CD2-C 3.43Å; H45-G91 PolarHBondContact CD2-O 3.41Å; H45-G91 PolarHBondContact N-O 2.82Å; H45-G91 PolarHBondContact O-N 2.91Å; H45-L133 HydrophobicContact CB-CD1 3.53Å; H45-K134 CarbonylContact C-O 3.6Å; H45-K134 WeakPolarHBondContact CA-O 3.46Å; H45-K134 WeakPolarHBondContact CB-O 3.04Å
46N96.3Very high95.7Very high94 Ų9440.8 Ų40.850%0.50322%0.217SC..SBendtrans-98.522.3179.5-67.9-16.3000112.4K134N46-K134 HydrophobicContact CB-CB 3.95Å; N46-K134 PolarHBondContact N-O 2.89Å
47G96.5Very high95.5Very high6 Ų642.8 Ų42.86%0.06223%0.228CC..  trans117.9158.1-17900000113.1H45 A88 K134H45-G47 VanDerWaalsContact C-N 3.33Å; H45-G47 PolarHBondContact ND1-N 2.92Å; G47-A88 CarbonylContact C-O 3.55Å; G47-A88 VanDerWaalsContact CA-O 3.32Å; G47-A88 WeakPolarHBondContact CA-O 3.31Å; G47-K134 PolarHBondContact O-N 2.57Å
48I97.5Very high95.2Very high2 Ų243.7 Ų43.71%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-129.9120.3177.1-45.3-177.7000106.9L37 V87 A88 I93 I100 D132 L133L37-I48 HydrophobicContact CD1-CD1 3.58Å; I48-V87 HydrophobicContact CB-CG2 3.52Å; I48-V87 HydrophobicContact CG2-CG2 3.28Å; I48-V87 WeakPolarHBondContact O-CG2 3.34Å; I48-V87 PolarHBondContact O-N 2.84Å; I48-A88 HydrophobicContact CB-CB 4.19Å; I48-A88 HydrophobicContact CD1-CB 3.9Å; I48-A88 HydrophobicContact CG1-CB 3.97Å; I48-A88 PolarHBondContact N-O 2.67Å; I48-A88 PolarHBondContact O-N 2.6Å; I48-I93 HydrophobicContact CD1-CD1 4.36Å; I48-I100 HydrophobicContact CD1-CD1 3.95Å; I48-D132 WeakPolarHBondContact CA-O 3.47Å; I48-L133 HydrophobicContact CD1-CD1 3.82Å; I48-L133 HydrophobicContact CG1-CD1 3.55Å
49A98.1Very high94.6Very high40 Ų4046.6 Ų46.633%0.33124%0.241SC..EExtended strand (participates in β ladder)trans-112.6142.3176.100000109.5I85 C131 D132A49-I85 WeakPolarHBondContact CA-O 3.41Å; A49-C131 CarbonylContact O-C 3.45Å; A49-C131 WeakPolarHBondContact O-CA 3.49Å; A49-D132 PolarHBondContact N-O 3.22Å; A49-D132 PolarHBondContact O-N 3.22Å
50L98.4Very high93.7Very high0 Ų047.3 Ų47.30%025%0.245CC..EExtended strand (participates in β ladder)trans-120.9127.2170.3-175.471000107.4I16 V35 S84 I85 V87 F102 F104 L129 R130 C131I16-L50 HydrophobicContact CD1-CD1 3.96Å; I16-L50 HydrophobicContact CG1-CD1 4.45Å; V35-L50 HydrophobicContact CG2-CD1 4.25Å; V35-L50 HydrophobicContact CG2-CD2 4.24Å; L50-S84 CarbonylContact O-C 3.55Å; L50-S84 WeakPolarHBondContact O-CA 3.45Å; L50-I85 HydrophobicContact CB-CG1 4.14Å; L50-I85 PolarHBondContact N-O 2.92Å; L50-I85 PolarHBondContact O-N 2.82Å; L50-V87 HydrophobicContact CB-CG1 3.59Å; L50-V87 HydrophobicContact CD2-CG1 4.28Å; L50-F102 HydrophobicContact CD2-CB 3.61Å; L50-F102 HydrophobicContact CD2-CD1 3.53Å; L50-F102 HydrophobicContact CD2-CD2 3.57Å; L50-F102 HydrophobicContact CD2-CE1 4.02Å; L50-F102 HydrophobicContact CD2-CE2 4.08Å; L50-F102 HydrophobicContact CD2-CG 3.27Å; L50-F102 HydrophobicContact CD2-CZ 4.28Å; L50-F104 HydrophobicContact CB-CE2 4.47Å; L50-F104 HydrophobicContact CD2-CD2 4.47Å; L50-F104 HydrophobicContact CD2-CE2 3.64Å; L50-F104 HydrophobicContact CD2-CZ 4.46Å; L50-F104 HydrophobicContact CG-CE2 3.79Å; L50-F104 HydrophobicContact CG-CZ 4.31Å; L50-F104 WeakPolarHBondContact O-CZ 3.38Å; L50-L129 HydrophobicContact CD1-CB 4.47Å; L50-R130 CarbonylContact C-O 3.54Å; L50-R130 WeakPolarHBondContact CA-O 3.45Å; L50-C131 HydrophobicContact CD1-CB 3.68Å
51S98.2Very high92.5Very high19 Ų1939.8 Ų39.813%0.13321%0.214CC..EExtended strand (participates in β ladder)trans-112.2151.2172.376.40000111.4D53 S83 L129 R130S51-D53 WeakPolarHBondContact CB-OD2 3.39Å; S51-D53 PolarHBondContact OG-OD2 3.39Å; S51-S83 CarbonylContact C-O 3.48Å; S51-S83 WeakPolarHBondContact CA-O 3.32Å; S51-L129 CarbonylContact O-C 3.47Å; S51-L129 VanDerWaalsContact O-CA 3.22Å; S51-L129 WeakPolarHBondContact O-CA 3.31Å; S51-R130 PolarHBondContact N-O 3.46Å; S51-R130 PolarHBondContact O-N 3.09Å
52M98.1Very high91Very high0 Ų038.5 Ų38.50%022%0.219CC..EExtended strand (participates in β ladder)trans-121.2118.8168.6-177.3-177.265.600107.8V31 I81 S82 S83 F104 L106 T128 L129 F148V31-M52 HydrophobicContact CB-SD 4.36Å; V31-M52 HydrophobicContact CG2-SD 4.16Å; M52-I81 HydrophobicContact CE-CD1 3.51Å; M52-I81 HydrophobicContact CE-CG1 4.11Å; M52-S82 CarbonylContact O-C 3.55Å; M52-S82 VanDerWaalsContact O-CA 3.32Å; M52-S82 WeakPolarHBondContact O-CA 3.38Å; M52-S83 PolarHBondContact N-O 3.09Å; M52-S83 PolarHBondContact O-N 2.95Å; M52-F104 HydrophobicContact CB-CD1 4.14Å; M52-F104 HydrophobicContact CB-CD2 3.99Å; M52-F104 HydrophobicContact CB-CE1 4.27Å; M52-F104 HydrophobicContact CB-CE2 4.11Å; M52-F104 HydrophobicContact CB-CG 3.98Å; M52-F104 HydrophobicContact CB-CZ 4.24Å; M52-F104 HydrophobicContact CE-CB 3.86Å; M52-F104 HydrophobicContact CE-CD1 4.4Å; M52-F104 HydrophobicContact CE-CG 4.3Å; M52-F104 HydrophobicContact SD-CB 3.7Å; M52-F104 HydrophobicContact SD-CG 4.17Å; M52-L106 HydrophobicContact CE-CD1 4.45Å; M52-L106 HydrophobicContact SD-CD1 4.3Å; M52-T128 WeakPolarHBondContact CA-O 3.36Å; M52-L129 HydrophobicContact CB-CD2 3.69Å; M52-L129 HydrophobicContact CG-CD2 3.93Å; M52-F148 HydrophobicContact CG-CE1 4Å; M52-F148 HydrophobicContact CG-CZ 3.95Å; M52-F148 HydrophobicContact SD-CE1 4.34Å; M52-F148 HydrophobicContact SD-CZ 3.85Å
53D97.7Very high89.5Confident56 Ų5644.3 Ų44.330%0.29924%0.237SC..EExtended strand (participates in β ladder)trans-127.5136.6-177.3-64.3-70.6000109.9S51 I81 S82 Y127 T128S51-D53 WeakPolarHBondContact CB-OD2 3.39Å; S51-D53 PolarHBondContact OG-OD2 3.39Å; D53-I81 WeakPolarHBondContact CA-O 3.22Å; D53-S82 WeakPolarHBondContact OD1-CB 3.33Å; D53-S82 PolarHBondContact OD1-OG 2.83Å; D53-Y127 CarbonylContact O-C 3.55Å; D53-Y127 WeakPolarHBondContact O-CA 3.42Å; D53-T128 PolarHBondContact N-O 3.12Å; D53-T128 PolarHBondContact O-N 3.01Å
54G97.4Very high87.7Confident2 Ų245 Ų452%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-124.8129.1170.100000109.1L80 I81 Q126G54-L80 WeakPolarHBondContact O-CA 3.3Å; G54-L80 WeakPolarHBondContact O-CB 3.44Å; G54-L80 PolarHBondContact O-N 2.78Å; G54-I81 PolarHBondContact N-O 3.07Å; G54-I81 PolarHBondContact O-N 2.95Å; G54-Q126 CarbonylContact C-O 3.53Å; G54-Q126 VanDerWaalsContact CA-O 3.3Å; G54-Q126 WeakPolarHBondContact CA-O 3.31Å
55I96.3Very high85.6Confident51 Ų5143.2 Ų43.226%0.26224%0.242SC..EExtended strand (participates in β ladder)trans-144.2141-169.2-164.3167.9000110.8P77 Q126I55-P77 HydrophobicContact CD1-CB 3.47Å; I55-P77 VanDerWaalsContact CD1-CB 3.47Å; I55-P77 HydrophobicContact CD1-CG 4.41Å; I55-P77 HydrophobicContact CG1-CB 3.79Å; I55-Q126 PolarHBondContact N-O 3.25Å; I55-Q126 PolarHBondContact O-N 3.04Å
56V95.3Very high83.7Confident0 Ų045.8 Ų45.80%027%0.27CS..EExtended strand (participates in β ladder)trans-97.8114.3163.2-1730000107.7L58 P77 I78 L80 Y115 V123 N124 I125 F277V56-L58 HydrophobicContact CG1-CD2 3.71Å; V56-L58 HydrophobicContact CG1-CG 4.13Å; V56-P77 CarbonylContact O-C 3.55Å; V56-P77 VanDerWaalsContact O-CA 3.3Å; V56-P77 WeakPolarHBondContact O-CA 3.36Å; V56-I78 HydrophobicContact CB-CB 4.08Å; V56-I78 HydrophobicContact CG2-CB 4.49Å; V56-I78 PolarHBondContact N-O 2.56Å; V56-I78 PolarHBondContact O-N 2.89Å; V56-L80 HydrophobicContact CG2-CD1 3.78Å; V56-L80 HydrophobicContact CG2-CD2 3.87Å; V56-L80 HydrophobicContact CG2-CG 3.98Å; V56-Y115 HydrophobicContact CG2-CD2 4Å; V56-Y115 HydrophobicContact CG2-CE2 4.37Å; V56-V123 HydrophobicContact CG1-CG1 4.14Å; V56-N124 CarbonylContact C-O 3.6Å; V56-N124 WeakPolarHBondContact CA-O 3.32Å; V56-I125 HydrophobicContact CG1-CG1 4.2Å; V56-I125 HydrophobicContact CG2-CG1 4.14Å; V56-I125 HydrophobicContact CG2-CG2 4.39Å; V56-F277 HydrophobicContact CG1-CD1 4.29Å; V56-F277 HydrophobicContact CG1-CE1 3.98Å; V56-F277 HydrophobicContact CG1-CE2 4.39Å; V56-F277 HydrophobicContact CG1-CZ 4.03Å; V56-F277 HydrophobicContact CG2-CE1 4.29Å; V56-F277 HydrophobicContact CG2-CZ 4.11Å
57N93.1Very high81.7Confident47 Ų4747 Ų4725%0.25128%0.28SS..EExtended strand (participates in β ladder)trans-92.7127.3166.3-63.3-57.9000108.3N124N57-N124 HydrophobicContact CB-CB 4.29Å; N57-N124 PolarHBondContact N-O 2.86Å; N57-N124 PolarHBondContact O-N 2.85Å
58L90Very high79.7Confident18 Ų1850.1 Ų50.19%0.09429%0.292CS..EExtended strand (participates in β ladder)trans-111.7129.1173.9-60.8179.4000106.8V56 V75 I78 F122 V123 C228 N276 F277V56-L58 HydrophobicContact CG1-CD2 3.71Å; V56-L58 HydrophobicContact CG1-CG 4.13Å; L58-V75 HydrophobicContact CB-CG1 3.34Å; L58-V75 HydrophobicContact CD1-CG1 3.8Å; L58-V75 HydrophobicContact CG-CG1 4.16Å; L58-I78 HydrophobicContact CD1-CD1 4.08Å; L58-F122 WeakPolarHBondContact CA-O 3.25Å; L58-V123 HydrophobicContact CD2-CB 4.3Å; L58-V123 HydrophobicContact CD2-CG1 4.08Å; L58-V123 HydrophobicContact CD2-CG2 3.89Å; L58-C228 HydrophobicContact CB-CB 4.43Å; L58-C228 HydrophobicContact CD2-CB 4.14Å; L58-N276 HydrophobicContact CD1-CB 4.44Å; L58-F277 HydrophobicContact CD1-CB 4.31Å; L58-F277 HydrophobicContact CD1-CD1 4.39Å; L58-F277 HydrophobicContact CD2-CB 3.59Å; L58-F277 HydrophobicContact CD2-CD1 4.08Å; L58-F277 HydrophobicContact CD2-CD2 4.49Å; L58-F277 HydrophobicContact CD2-CG 3.81Å
59Q81.1Confident77.7Confident106 Ų10656.9 Ų56.950%0.49532%0.324SS..  trans-139.2155.4-179.565.3-1728.200109.5V121 F122Q59-V121 WeakPolarHBondContact CG-O 3.46Å; Q59-V121 PolarHBondContact NE2-O 3.47Å; Q59-F122 PolarHBondContact N-O 2.91Å; Q59-F122 WeakPolarHBondContact O-CA 3.42Å; Q59-F122 WeakPolarHBondContact O-CB 3.35Å
60L74.4Confident75.6Confident22 Ų2258.7 Ų58.712%0.11534%0.339CS..  trans-101.9143.2173.8-63.5168.2000108F71 Y72 F122 A235L60-F71 HydrophobicContact CD1-CB 3.93Å; L60-Y72 HydrophobicContact CB-CD1 4.21Å; L60-Y72 HydrophobicContact CB-CE1 3.57Å; L60-Y72 HydrophobicContact CB-CE2 4.08Å; L60-Y72 VanDerWaalsContact CB-CZ 3.49Å; L60-Y72 HydrophobicContact CD1-CD1 4.48Å; L60-Y72 HydrophobicContact CD1-CD2 3.97Å; L60-Y72 HydrophobicContact CD1-CE1 4.48Å; L60-Y72 HydrophobicContact CD1-CE2 3.95Å; L60-Y72 HydrophobicContact CD1-CG 4.24Å; L60-F122 HydrophobicContact CD2-CE2 4.46Å; L60-A235 HydrophobicContact CD2-CB 3.33Å
61S66.2Low73.7Confident14 Ų1460.7 Ų60.710%0.09835%0.347CS..  trans-75152.7178.180.60000112.2K63 S64 Y72S61-K63 PolarHBondContact O-N 2.92Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact OG-N 2.76Å; S61-S64 PolarHBondContact O-N 3.11Å; S61-Y72 PolarHBondContact O-OH 3.03Å
62S60.1Low71.9Confident102 Ų10263.6 Ų63.671%0.71336%0.356SS*.G310 helixtrans-58.9-17.8172.852.40000114.2S64 V65S62-S64 VanDerWaalsContact C-N 3.27Å; S62-S64 PolarHBondContact O-N 3.43Å; S62-V65 WeakPolarHBondContact O-CB 3.44Å; S62-V65 WeakPolarHBondContact O-CG2 3.25Å; S62-V65 PolarHBondContact O-N 3.07Å
63K61.4Low70.1Confident193 Ų19370.8 Ų70.884%0.83940%0.395SS*.G310 helixtrans-74.8-16.7175.9-62.3-178.4-179.6176.60113S61S61-K63 PolarHBondContact O-N 2.92Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact OG-N 2.76Å
64S55.5Low68.8Low40 Ų4070.6 Ų70.628%0.2840%0.397SS..G310 helixtrans-99.411.6178.1-48.40000112.7S61 S62 G66S61-S64 PolarHBondContact O-N 3.11Å; S62-S64 VanDerWaalsContact C-N 3.27Å; S62-S64 PolarHBondContact O-N 3.43Å; S64-G66 PolarHBondContact O-N 2.82Å
65V51.2Low67.8Low90 Ų9071.8 Ų71.855%0.54541%0.405SS..THydrogen-bonded Turntrans-72.1119.1-179177.80000109.4S62S62-V65 WeakPolarHBondContact O-CB 3.44Å; S62-V65 WeakPolarHBondContact O-CG2 3.25Å; S62-V65 PolarHBondContact O-N 3.07Å
66G55.1Low67.2Low59 Ų5977.1 Ų77.161%0.60843%0.426SS*.THydrogen-bonded Turntrans130.5-24.4177.300000114.8S64S64-G66 PolarHBondContact O-N 2.82Å
67V53.9Low66.9Low121 Ų12180.4 Ų80.473%0.73345%0.447SS*.THydrogen-bonded Turntrans-109-22.2179.9-171.10000112.5
68F55.2Low66.9Low71 Ų7180.5 Ų80.531%0.31145%0.447SS..  trans-130.632.7-172.1-66.6-87.8000113.8A70 F71 Y72F68-A70 VanDerWaalsContact C-N 3.29Å; F68-A70 PolarHBondContact O-N 2.96Å; F68-F71 HydrophobicContact CB-CD2 3.68Å; F68-F71 HydrophobicContact CB-CE2 4.3Å; F68-F71 HydrophobicContact CB-CG 4.36Å; F68-F71 AromaticContact CD1-CD2 3.53Å; F68-F71 HydrophobicContact CD1-CD2 3.53Å; F68-F71 AromaticContact CD1-CE2 3.39Å; F68-F71 HydrophobicContact CD1-CE2 3.39Å; F68-F71 HydrophobicContact CD1-CG 4.22Å; F68-F71 AromaticContact CD1-CZ 3.98Å; F68-F71 HydrophobicContact CD1-CZ 3.98Å; F68-F71 HydrophobicContact CE1-CE2 4.13Å; F68-F71 HydrophobicContact CE1-CZ 4.38Å; F68-F71 HydrophobicContact CG-CD2 4.09Å; F68-F71 HydrophobicContact CG-CE2 4.27Å; F68-F71 WeakPolarHBondContact O-CB 3.42Å; F68-F71 PolarHBondContact O-N 2.82Å; F68-F71 VanDerWaalsContact O-N 3.11Å; F68-Y72 WeakPolarHBondContact O-CD2 3.26Å
69E55.8Low67.1Low143 Ų14382.9 Ų82.967%0.66846%0.463SS*.THydrogen-bonded Turntrans-62.8-31.8-174.5-154.2170.3-164.300113.4F71E69-F71 VanDerWaalsContact C-N 3.27Å; E69-F71 PolarHBondContact O-N 2.78Å
70A53.6Low67.7Low78 Ų7878.1 Ų78.165%0.64544%0.442SS*.THydrogen-bonded Turntrans-68.7-20.2176.600000114.2F68F68-A70 VanDerWaalsContact C-N 3.29Å; F68-A70 PolarHBondContact O-N 2.96Å
71F58.3Low68.7Low42 Ų4277.6 Ų77.618%0.18444%0.438CS..THydrogen-bonded Turntrans-85-27.1-173.6-65.2-94.5000113.3L60 F68 E69 N73 S74 V75 E232L60-F71 HydrophobicContact CD1-CB 3.93Å; F68-F71 HydrophobicContact CB-CD2 3.68Å; F68-F71 HydrophobicContact CB-CE2 4.3Å; F68-F71 HydrophobicContact CB-CG 4.36Å; F68-F71 AromaticContact CD1-CD2 3.53Å; F68-F71 HydrophobicContact CD1-CD2 3.53Å; F68-F71 AromaticContact CD1-CE2 3.39Å; F68-F71 HydrophobicContact CD1-CE2 3.39Å; F68-F71 HydrophobicContact CD1-CG 4.22Å; F68-F71 AromaticContact CD1-CZ 3.98Å; F68-F71 HydrophobicContact CD1-CZ 3.98Å; F68-F71 HydrophobicContact CE1-CE2 4.13Å; F68-F71 HydrophobicContact CE1-CZ 4.38Å; F68-F71 HydrophobicContact CG-CD2 4.09Å; F68-F71 HydrophobicContact CG-CE2 4.27Å; F68-F71 WeakPolarHBondContact O-CB 3.42Å; F68-F71 PolarHBondContact O-N 2.82Å; F68-F71 VanDerWaalsContact O-N 3.11Å; E69-F71 VanDerWaalsContact C-N 3.27Å; E69-F71 PolarHBondContact O-N 2.78Å; F71-N73 PolarHBondContact O-N 2.83Å; F71-N73 VanDerWaalsContact O-N 3.11Å; F71-S74 PolarHBondContact O-N 2.79Å; F71-V75 PolarHBondContact O-N 3.13Å; F71-E232 HydrophobicContact CD1-CB 4.21Å; F71-E232 HydrophobicContact CE1-CB 3.55Å; F71-E232 WeakPolarHBondContact CE1-O 3.2Å; F71-E232 HydrophobicContact CZ-CB 4.37Å
72Y59.5Low70.1Confident81 Ų8180.3 Ų80.332%0.31846%0.457SS..THydrogen-bonded Turntrans-55.2-34.7-175.5-84.2-90.8000113.1L60 S61 F68L60-Y72 HydrophobicContact CB-CD1 4.21Å; L60-Y72 HydrophobicContact CB-CE1 3.57Å; L60-Y72 HydrophobicContact CB-CE2 4.08Å; L60-Y72 VanDerWaalsContact CB-CZ 3.49Å; L60-Y72 HydrophobicContact CD1-CD1 4.48Å; L60-Y72 HydrophobicContact CD1-CD2 3.97Å; L60-Y72 HydrophobicContact CD1-CE1 4.48Å; L60-Y72 HydrophobicContact CD1-CE2 3.95Å; L60-Y72 HydrophobicContact CD1-CG 4.24Å; S61-Y72 PolarHBondContact O-OH 3.03Å; F68-Y72 WeakPolarHBondContact O-CD2 3.26Å
73N62.1Low71.8Confident151 Ų15176.9 Ų76.981%0.80743%0.433SS*.THydrogen-bonded Turntrans-88.3-14-179.2-65.9-39.3000113.5F71F71-N73 PolarHBondContact O-N 2.83Å; F71-N73 VanDerWaalsContact O-N 3.11Å
74S68.8Low73.5Confident51 Ų5171.5 Ų71.536%0.35742%0.42SS..THydrogen-bonded Turntrans-87.9-24.7-176.4-64.30000112.8F71 K76 E232F71-S74 PolarHBondContact O-N 2.79Å; S74-K76 PolarHBondContact O-N 2.85Å; S74-E232 PolarHBondContact OG-OE2 2.88Å
75V76.5Confident75.4Confident28 Ų2872.3 Ų72.317%0.1742%0.421CS..  trans-83.3102.7-177.1-1680000110.3L58 F71L58-V75 HydrophobicContact CB-CG1 3.34Å; L58-V75 HydrophobicContact CD1-CG1 3.8Å; L58-V75 HydrophobicContact CG-CG1 4.16Å; F71-V75 PolarHBondContact O-N 3.13Å
76K83.8Confident77.6Confident163 Ų16373.8 Ų73.871%0.70942%0.422SS*.  trans-88.3143178.6-64.2-175.2179.9177.60111.2S74S74-K76 PolarHBondContact O-N 2.85Å
77P90.1Very high79.5Confident68 Ų6872.1 Ų72.144%0.44240%0.4SS..  trans-55141.1169.3-26.435.3000112.1I55 V56 P79I55-P77 HydrophobicContact CD1-CB 3.47Å; I55-P77 VanDerWaalsContact CD1-CB 3.47Å; I55-P77 HydrophobicContact CD1-CG 4.41Å; I55-P77 HydrophobicContact CG1-CB 3.79Å; V56-P77 CarbonylContact O-C 3.55Å; V56-P77 VanDerWaalsContact O-CA 3.3Å; V56-P77 WeakPolarHBondContact O-CA 3.36Å; P77-P79 VanDerWaalsContact O-CD 3.27Å; P77-P79 WeakPolarHBondContact O-CD 3.19Å
78I92.1Very high81.5Confident49 Ų4967.4 Ų67.425%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-101.1104.3-178.7-50172000108.1V56 L58 L80 N276 F277V56-I78 HydrophobicContact CB-CB 4.08Å; V56-I78 HydrophobicContact CG2-CB 4.49Å; V56-I78 PolarHBondContact N-O 2.56Å; V56-I78 PolarHBondContact O-N 2.89Å; L58-I78 HydrophobicContact CD1-CD1 4.08Å; I78-L80 HydrophobicContact CG2-CD2 4.49Å; I78-L80 PolarHBondContact O-N 3.18Å; I78-N276 HydrophobicContact CD1-CB 4.46Å; I78-F277 HydrophobicContact CD1-CD1 4.18Å; I78-F277 HydrophobicContact CD1-CE1 4.15Å
79P93.9Very high83.5Confident68 Ų6871.4 Ų71.444%0.44239%0.391SS..EExtended strand (participates in β ladder)trans-71.6125178.427.7-33000110.2P77 K112P77-P79 VanDerWaalsContact O-CD 3.27Å; P77-P79 WeakPolarHBondContact O-CD 3.19Å; P79-K112 WeakPolarHBondContact O-CD 3.22Å; P79-K112 WeakPolarHBondContact O-CE 3.5Å; P79-K112 PolarHBondContact O-NZ 3.27Å
80L94.9Very high85.5Confident7 Ų767.9 Ų67.94%0.03739%0.386CS..EExtended strand (participates in β ladder)trans-93.3-46.1179.1-56-179.8000111.4G54 V56 I78 K112 L114 Y115 I125 Y127G54-L80 WeakPolarHBondContact O-CA 3.3Å; G54-L80 WeakPolarHBondContact O-CB 3.44Å; G54-L80 PolarHBondContact O-N 2.78Å; V56-L80 HydrophobicContact CG2-CD1 3.78Å; V56-L80 HydrophobicContact CG2-CD2 3.87Å; V56-L80 HydrophobicContact CG2-CG 3.98Å; I78-L80 HydrophobicContact CG2-CD2 4.49Å; I78-L80 PolarHBondContact O-N 3.18Å; L80-K112 VanDerWaalsContact O-CD 3.31Å; L80-K112 WeakPolarHBondContact O-CD 3.34Å; L80-L114 HydrophobicContact CB-CD2 4.13Å; L80-Y115 HydrophobicContact CD1-CD2 3.82Å; L80-Y115 HydrophobicContact CD2-CD2 3.77Å; L80-Y115 HydrophobicContact CD2-CE2 3.73Å; L80-Y115 HydrophobicContact CG-CD2 4.46Å; L80-I125 HydrophobicContact CD1-CG2 4.03Å; L80-Y127 HydrophobicContact CD1-CE1 4.49Å; L80-Y127 VanDerWaalsContact CD1-OH 3.25Å; L80-Y127 WeakPolarHBondContact CD1-OH 3.19Å
81I95.7Very high87.5Confident10 Ų1065.8 Ų65.85%0.05137%0.372CS..EExtended strand (participates in β ladder)trans-146.6145.4178.1-170.8166.1000109.4M52 D53 G54 L106 I107 L114 Y127M52-I81 HydrophobicContact CE-CD1 3.51Å; M52-I81 HydrophobicContact CE-CG1 4.11Å; D53-I81 WeakPolarHBondContact CA-O 3.22Å; G54-I81 PolarHBondContact N-O 3.07Å; G54-I81 PolarHBondContact O-N 2.95Å; I81-L106 HydrophobicContact CD1-CD1 4.25Å; I81-I107 VanDerWaalsContact CD1-O 3.28Å; I81-I107 WeakPolarHBondContact CD1-O 3.33Å; I81-L114 HydrophobicContact CB-CD2 4.13Å; I81-L114 HydrophobicContact CG2-CD2 4.32Å; I81-Y127 HydrophobicContact CG2-CD1 4.13Å; I81-Y127 HydrophobicContact CG2-CE1 4.02Å
82S95.1Very high89.2Confident71 Ų7170.7 Ų70.750%0.49739%0.393SS..EExtended strand (participates in β ladder)trans-148.2128.2169.4-172.50000108.9M52 D53M52-S82 CarbonylContact O-C 3.55Å; M52-S82 VanDerWaalsContact O-CA 3.32Å; M52-S82 WeakPolarHBondContact O-CA 3.38Å; D53-S82 WeakPolarHBondContact OD1-CB 3.33Å; D53-S82 PolarHBondContact OD1-OG 2.83Å
83S95.2Very high90.8Very high30 Ų3067.5 Ų67.521%0.2138%0.382CS..EExtended strand (participates in β ladder)trans-143.7147.5177.2-166.10000109.1S51 M52 F104S51-S83 CarbonylContact C-O 3.48Å; S51-S83 WeakPolarHBondContact CA-O 3.32Å; M52-S83 PolarHBondContact N-O 3.09Å; M52-S83 PolarHBondContact O-N 2.95Å; S83-F104 WeakPolarHBondContact OG-CE1 3.49Å
84S96.7Very high92.4Very high81 Ų8164 Ų6457%0.56637%0.367SS*.EExtended strand (participates in β ladder)trans-144.5140.3178.3-175.90000109.7L50L50-S84 CarbonylContact O-C 3.55Å; L50-S84 WeakPolarHBondContact O-CA 3.45Å
85I97.1Very high93.6Very high56 Ų5663.2 Ų63.229%0.28737%0.368SS..EExtended strand (participates in β ladder)trans-129.7144.3174.763.3178000109.6A49 L50 V87 F102 F104A49-I85 WeakPolarHBondContact CA-O 3.41Å; L50-I85 HydrophobicContact CB-CG1 4.14Å; L50-I85 PolarHBondContact N-O 2.92Å; L50-I85 PolarHBondContact O-N 2.82Å; I85-V87 HydrophobicContact CD1-CG1 3.82Å; I85-V87 HydrophobicContact CG1-CG1 3.76Å; I85-V87 PolarHBondContact O-N 2.96Å; I85-F102 HydrophobicContact CD1-CB 4.01Å; I85-F104 HydrophobicContact CB-CZ 4.44Å; I85-F104 HydrophobicContact CD1-CE1 4.48Å; I85-F104 HydrophobicContact CD1-CE2 4.22Å; I85-F104 HydrophobicContact CD1-CZ 4Å; I85-F104 HydrophobicContact CG1-CE1 4.23Å; I85-F104 HydrophobicContact CG1-CE2 4.33Å; I85-F104 HydrophobicContact CG1-CZ 3.71Å; I85-F104 HydrophobicContact CG2-CE1 3.83Å; I85-F104 HydrophobicContact CG2-CZ 4.2Å
86E97Very high94.5Very high121 Ų12163.8 Ų63.857%0.56538%0.379SS*.EExtended strand (participates in β ladder)trans-80109164.8-176.6-179.8-131.200107.8K89E86-K89 WeakPolarHBondContact OE2-CG 3.4Å
87V95.2Very high95.1Very high24 Ų2461.7 Ų61.715%0.14537%0.37CS..EExtended strand (participates in β ladder)trans-83.6-22.8179.4-57.20000111.9I48 L50 I85 I100I48-V87 HydrophobicContact CB-CG2 3.52Å; I48-V87 HydrophobicContact CG2-CG2 3.28Å; I48-V87 WeakPolarHBondContact O-CG2 3.34Å; I48-V87 PolarHBondContact O-N 2.84Å; L50-V87 HydrophobicContact CB-CG1 3.59Å; L50-V87 HydrophobicContact CD2-CG1 4.28Å; I85-V87 HydrophobicContact CD1-CG1 3.82Å; I85-V87 HydrophobicContact CG1-CG1 3.76Å; I85-V87 PolarHBondContact O-N 2.96Å; V87-I100 HydrophobicContact CB-CG2 3.97Å; V87-I100 HydrophobicContact CG2-CG2 4.49Å; V87-I100 WeakPolarHBondContact O-CG2 3.33Å
88A96.1Very high95.4Very high23 Ų2359.8 Ų59.819%0.1936%0.357CS..EExtended strand (participates in β ladder)trans-155.2136.3167.700000111.4G47 I48 I100G47-A88 CarbonylContact C-O 3.55Å; G47-A88 VanDerWaalsContact CA-O 3.32Å; G47-A88 WeakPolarHBondContact CA-O 3.31Å; I48-A88 HydrophobicContact CB-CB 4.19Å; I48-A88 HydrophobicContact CD1-CB 3.9Å; I48-A88 HydrophobicContact CG1-CB 3.97Å; I48-A88 PolarHBondContact N-O 2.67Å; I48-A88 PolarHBondContact O-N 2.6Å; A88-I100 HydrophobicContact CB-CD1 4.24Å
89K96.6Very high95.7Very high155 Ų15562.2 Ų62.267%0.67437%0.367SS*.  trans-66.3165.1170.7-71.3178.7-179.9-177.10111.5H45 E86 G91H45-K89 PolarHBondContact CE1-O 2.8Å; E86-K89 WeakPolarHBondContact OE2-CG 3.4Å; K89-G91 PolarHBondContact O-N 2.79Å
90A97Very high95.9Very high69 Ų6960.2 Ų60.257%0.5735%0.352SS*.SBendtrans-50.8135171.400000111.5H45H45-A90 CarbonylContact O-C 3.53Å; H45-A90 WeakPolarHBondContact O-CA 3.41Å
91G95.6Very high96Very high33 Ų3364.8 Ų64.834%0.3438%0.382SS..EExtended strand (participates in β ladder)trans173.7-154.4-169.800000113.8Q44 H45 K89Q44-G91 WeakPolarHBondContact CA-O 3.44Å; H45-G91 VanDerWaalsContact CD2-C 3.43Å; H45-G91 PolarHBondContact CD2-O 3.41Å; H45-G91 PolarHBondContact N-O 2.82Å; H45-G91 PolarHBondContact O-N 2.91Å; K89-G91 PolarHBondContact O-N 2.79Å
92K94.6Very high96.1Very high146 Ų14664.6 Ų64.664%0.63538%0.381SS*.EExtended strand (participates in β ladder)trans-131.4123.5-177.6-161.1-176.6-162.8-164.20109.9P42 L43P42-K92 HydrophobicContact CB-CD 4.1Å; P42-K92 HydrophobicContact CB-CG 4.26Å; L43-K92 CarbonylContact O-C 3.5Å; L43-K92 WeakPolarHBondContact O-CA 3.21Å
93I93.8Very high96.2Very high13 Ų1367.7 Ų67.77%0.06739%0.388CS..EExtended strand (participates in β ladder)trans-89132.3172.2-59.4-60.5000108.2L37 P42 L43 I48 T98L37-I93 HydrophobicContact CD1-CG1 4.33Å; P42-I93 CarbonylContact C-O 3.57Å; P42-I93 WeakPolarHBondContact CA-O 3.35Å; L43-I93 HydrophobicContact CB-CB 4.43Å; L43-I93 PolarHBondContact N-O 3.4Å; L43-I93 PolarHBondContact O-N 3.11Å; I48-I93 HydrophobicContact CD1-CD1 4.36Å; I93-T98 HydrophobicContact CG2-CG2 4.36Å; I93-T98 WeakPolarHBondContact CG2-OG1 3.46Å
94P94.6Very high96.3Very high77 Ų7766.3 Ų66.350%0.538%0.378SS..PPolyproline II helixtrans-66.8160.3177.128.5-34.9000112.1
95G94.6Very high96.3Very high36 Ų3666 Ų6637%0.37137%0.374SS..SBendtrans-63.4150.7167.600000110.9
96G94.8Very high96.3Very high39 Ų3963.3 Ų63.340%0.40236%0.361SS..EExtended strand (participates in β ladder)trans101.2-154.4-172.300000112.7C38 C39C38-G96 WeakPolarHBondContact CA-O 3.46Å; C39-G96 PolarHBondContact N-O 3.34Å; C39-G96 PolarHBondContact O-N 3.36Å
97K96.3Very high96Very high120 Ų12062 Ų6252%0.52236%0.357SS..EExtended strand (participates in β ladder)trans-101123.2-179.3-176-175176.2-155.40109.6T36 L37 E99T36-K97 HydrophobicContact CG2-CD 4.33Å; T36-K97 HydrophobicContact CG2-CG 3.97Å; L37-K97 CarbonylContact O-C 3.56Å; L37-K97 WeakPolarHBondContact O-CA 3.28Å; K97-E99 WeakPolarHBondContact CE-OE1 3.38Å; K97-E99 IonicContact NZ-OE1 2.62Å; K97-E99 PolarHBondContact NZ-OE1 3.49Å
98T97.1Very high95.6Very high28 Ų2862.2 Ų62.217%0.17236%0.359CS..EExtended strand (participates in β ladder)trans-111.8134.2171.9-58.50000109T36 L37 I93 I100T36-T98 WeakPolarHBondContact CA-O 3.12Å; L37-T98 PolarHBondContact N-O 3.04Å; L37-T98 PolarHBondContact O-N 3.11Å; I93-T98 HydrophobicContact CG2-CG2 4.36Å; I93-T98 WeakPolarHBondContact CG2-OG1 3.46Å; T98-I100 HydrophobicContact CG2-CG1 4.16Å
99E97.7Very high94.9Very high100 Ų10068 Ų6847%0.46738%0.38SS..EExtended strand (participates in β ladder)trans-119.1127.2174.8-67.7-174.9149.300109.4V34 V35 T36 K97V34-E99 HydrophobicContact CB-CB 4.47Å; V35-E99 WeakPolarHBondContact O-CA 3.19Å; T36-E99 HydrophobicContact CG2-CG 4.5Å; K97-E99 WeakPolarHBondContact CE-OE1 3.38Å; K97-E99 IonicContact NZ-OE1 2.62Å; K97-E99 PolarHBondContact NZ-OE1 3.49Å
100I97.7Very high94.2Very high25 Ų2564 Ų6413%0.12838%0.382CS..EExtended strand (participates in β ladder)trans-117.9111.5179.9-53172.4000107.5V34 V35 L37 I48 V87 A88 T98V34-I100 CarbonylContact C-O 3.59Å; V34-I100 WeakPolarHBondContact CA-O 3.09Å; V35-I100 HydrophobicContact CB-CB 4.44Å; V35-I100 PolarHBondContact N-O 3.31Å; V35-I100 PolarHBondContact O-N 2.81Å; L37-I100 HydrophobicContact CD1-CD1 4.46Å; I48-I100 HydrophobicContact CD1-CD1 3.95Å; V87-I100 HydrophobicContact CB-CG2 3.97Å; V87-I100 HydrophobicContact CG2-CG2 4.49Å; V87-I100 WeakPolarHBondContact O-CG2 3.33Å; A88-I100 HydrophobicContact CB-CD1 4.24Å; T98-I100 HydrophobicContact CG2-CG1 4.16Å
101P97.9Very high93.3Very high103 Ų10369 Ų6967%0.66940%0.399SS*.EExtended strand (participates in β ladder)trans-70.1149.1-179.929.7-34.2000111.3G33 V34G33-P101 WeakPolarHBondContact O-CA 3.19Å; V34-P101 HydrophobicContact CG1-CB 4.49Å
102F98Very high92.8Very high7 Ų771.9 Ų71.93%0.03140%0.403CS..EExtended strand (participates in β ladder)trans-141.5155.6174.568.8-97.5000111.5I16 L18 A32 G33 V34 V35 L50 I85 F104 L129I16-F102 HydrophobicContact CG2-CE1 3.96Å; I16-F102 HydrophobicContact CG2-CZ 3.91Å; L18-F102 HydrophobicContact CD2-CE2 4.46Å; L18-F102 HydrophobicContact CD2-CZ 4.2Å; A32-F102 WeakPolarHBondContact CA-O 3.26Å; G33-F102 VanDerWaalsContact C-CD1 3.48Å; G33-F102 PolarHBondContact N-O 2.8Å; G33-F102 VanDerWaalsContact N-O 3.08Å; G33-F102 WeakPolarHBondContact O-CD1 3.39Å; G33-F102 PolarHBondContact O-N 2.86Å; V34-F102 VanDerWaalsContact N-CE1 3.34Å; V35-F102 HydrophobicContact CG2-CD1 4.01Å; V35-F102 HydrophobicContact CG2-CE1 4.34Å; L50-F102 HydrophobicContact CD2-CB 3.61Å; L50-F102 HydrophobicContact CD2-CD1 3.53Å; L50-F102 HydrophobicContact CD2-CD2 3.57Å; L50-F102 HydrophobicContact CD2-CE1 4.02Å; L50-F102 HydrophobicContact CD2-CE2 4.08Å; L50-F102 HydrophobicContact CD2-CG 3.27Å; L50-F102 HydrophobicContact CD2-CZ 4.28Å; I85-F102 HydrophobicContact CD1-CB 4.01Å; F102-F104 HydrophobicContact CD2-CD2 4.16Å; F102-F104 HydrophobicContact CD2-CE2 4.47Å; F102-L129 HydrophobicContact CE2-CD1 3.63Å; F102-L129 HydrophobicContact CZ-CD1 3.6Å
103E97.6Very high92.6Very high135 Ų13568.7 Ų68.763%0.63140%0.395SS*.EExtended strand (participates in β ladder)trans-143.3134.2172.6-62.2-168.9164.400110.2T30 A32T30-E103 HydrophobicContact CG2-CB 3.83Å; T30-E103 HydrophobicContact CG2-CG 4.28Å; A32-E103 HydrophobicContact CB-CG 3.89Å
104F97.3Very high92.6Very high1 Ų168.7 Ų68.70%0.00440%0.395CS..EExtended strand (participates in β ladder)trans-123131.8170.9-78.6-73.7000110.9T30 V31 L50 M52 S83 I85 F102 L106 L129T30-F104 CarbonylContact C-O 3.59Å; T30-F104 WeakPolarHBondContact CA-O 3.29Å; V31-F104 HydrophobicContact CB-CB 4.39Å; V31-F104 PolarHBondContact N-O 2.63Å; V31-F104 PolarHBondContact O-N 2.88Å; L50-F104 HydrophobicContact CB-CE2 4.47Å; L50-F104 HydrophobicContact CD2-CD2 4.47Å; L50-F104 HydrophobicContact CD2-CE2 3.64Å; L50-F104 HydrophobicContact CD2-CZ 4.46Å; L50-F104 HydrophobicContact CG-CE2 3.79Å; L50-F104 HydrophobicContact CG-CZ 4.31Å; L50-F104 WeakPolarHBondContact O-CZ 3.38Å; M52-F104 HydrophobicContact CB-CD1 4.14Å; M52-F104 HydrophobicContact CB-CD2 3.99Å; M52-F104 HydrophobicContact CB-CE1 4.27Å; M52-F104 HydrophobicContact CB-CE2 4.11Å; M52-F104 HydrophobicContact CB-CG 3.98Å; M52-F104 HydrophobicContact CB-CZ 4.24Å; M52-F104 HydrophobicContact CE-CB 3.86Å; M52-F104 HydrophobicContact CE-CD1 4.4Å; M52-F104 HydrophobicContact CE-CG 4.3Å; M52-F104 HydrophobicContact SD-CB 3.7Å; M52-F104 HydrophobicContact SD-CG 4.17Å; S83-F104 WeakPolarHBondContact OG-CE1 3.49Å; I85-F104 HydrophobicContact CB-CZ 4.44Å; I85-F104 HydrophobicContact CD1-CE1 4.48Å; I85-F104 HydrophobicContact CD1-CE2 4.22Å; I85-F104 HydrophobicContact CD1-CZ 4Å; I85-F104 HydrophobicContact CG1-CE1 4.23Å; I85-F104 HydrophobicContact CG1-CE2 4.33Å; I85-F104 HydrophobicContact CG1-CZ 3.71Å; I85-F104 HydrophobicContact CG2-CE1 3.83Å; I85-F104 HydrophobicContact CG2-CZ 4.2Å; F102-F104 HydrophobicContact CD2-CD2 4.16Å; F102-F104 HydrophobicContact CD2-CE2 4.47Å; F104-L106 PolarHBondContact O-N 3.49Å; F104-L129 HydrophobicContact CD2-CD2 3.76Å; F104-L129 HydrophobicContact CE2-CD2 3.86Å
105P96.4Very high92.6Very high75 Ų7567.4 Ų67.449%0.48738%0.381SS..EExtended strand (participates in β ladder)trans-72.8121.8166.629.2-31.5000110.1I107P105-I107 VanDerWaalsContact C-N 3.27Å; P105-I107 HydrophobicContact CB-CD1 3.9Å; P105-I107 HydrophobicContact CB-CG1 4.09Å; P105-I107 PolarHBondContact O-N 3.06Å
106L96.2Very high92.6Very high0 Ų066.5 Ų66.50%037%0.367CS..  trans-83.972.2174.1-174.561.4000109.8G28 E29 V31 M52 I81 F104 L114 F148 V150G28-L106 PolarHBondContact N-O 2.73Å; E29-L106 VanDerWaalsContact O-CB 3.25Å; E29-L106 WeakPolarHBondContact O-CB 3.25Å; E29-L106 PolarHBondContact O-N 3.37Å; V31-L106 HydrophobicContact CG2-CB 4.18Å; V31-L106 HydrophobicContact CG2-CD2 4.4Å; M52-L106 HydrophobicContact CE-CD1 4.45Å; M52-L106 HydrophobicContact SD-CD1 4.3Å; I81-L106 HydrophobicContact CD1-CD1 4.25Å; F104-L106 PolarHBondContact O-N 3.49Å; L106-L114 HydrophobicContact CD1-CD1 3.68Å; L106-L114 HydrophobicContact CG-CD1 3.78Å; L106-F148 HydrophobicContact CD1-CE2 4.16Å; L106-F148 HydrophobicContact CD1-CZ 4.31Å; L106-F148 HydrophobicContact CD2-CE2 4.24Å; L106-V150 HydrophobicContact CD1-CG2 4.48Å; L106-V150 HydrophobicContact CD2-CG2 3.93Å
107I91.9Very high92.6Very high94 Ų9465.4 Ų65.448%0.48235%0.352SS..  trans-125.7125.1-176.3-56175.1000108.3I81 P105I81-I107 VanDerWaalsContact CD1-O 3.28Å; I81-I107 WeakPolarHBondContact CD1-O 3.33Å; P105-I107 VanDerWaalsContact C-N 3.27Å; P105-I107 HydrophobicContact CB-CD1 3.9Å; P105-I107 HydrophobicContact CB-CG1 4.09Å; P105-I107 PolarHBondContact O-N 3.06Å
108S85.6Confident92.5Very high27 Ų2759.9 Ų59.919%0.18933%0.328CS..  trans-60.7146.5172.258.80000111.1E27 K112E27-S108 WeakPolarHBondContact OE1-CB 3.39Å; E27-S108 PolarHBondContact OE1-N 2.76Å; E27-S108 PolarHBondContact OE1-OG 3.39Å; S108-K112 WeakPolarHBondContact CB-O 3.48Å; S108-K112 PolarHBondContact OG-O 2.86Å
109K82.4Confident92.3Very high145 Ų14561.7 Ų61.763%0.6334%0.335SS*.  trans-106.2135175.9-68.8-178-179.6171.70110
110G81.6Confident91.9Very high71 Ų7157.7 Ų57.773%0.73232%0.32SS*.THydrogen-bonded Turntrans67.7-136178.800000111.9K112G110-K112 VanDerWaalsContact C-N 3.3Å; G110-K112 PolarHBondContact O-N 2.9Å
111N78.6Confident91.5Very high174 Ų17458.9 Ų58.993%0.9333%0.328SS*.THydrogen-bonded Turntrans-92.819.9-178-63.2-12.7000113.2
112K85.1Confident91.1Very high93 Ų9354 Ų5440%0.40430%0.297SS..  trans-83.6149.3179.4-64.7-172.5178.8-172.20110.1P79 L80 S108 G110P79-K112 WeakPolarHBondContact O-CD 3.22Å; P79-K112 WeakPolarHBondContact O-CE 3.5Å; P79-K112 PolarHBondContact O-NZ 3.27Å; L80-K112 VanDerWaalsContact O-CD 3.31Å; L80-K112 WeakPolarHBondContact O-CD 3.34Å; S108-K112 WeakPolarHBondContact CB-O 3.48Å; S108-K112 PolarHBondContact OG-O 2.86Å; G110-K112 VanDerWaalsContact C-N 3.3Å; G110-K112 PolarHBondContact O-N 2.9Å
113V89.9Confident90.8Very high80 Ų8053.7 Ų53.749%0.48530%0.295SS..  trans-114.8138.6175.4178.20000108Y115V113-Y115 HydrophobicContact CB-CE1 4.3Å; V113-Y115 HydrophobicContact CG1-CD1 4.37Å; V113-Y115 HydrophobicContact CG1-CE1 4.14Å
114L93.9Very high90.6Very high12 Ų1248.7 Ų48.76%0.06327%0.273CS..PPolyproline II helixtrans-84.2124.8169.2-56-169.2000108.7E27 L80 I81 L106 Y127E27-L114 HydrophobicContact CB-CD1 4.12Å; E27-L114 HydrophobicContact CG-CD1 4.04Å; E27-L114 HydrophobicContact CG-CG 4.43Å; L80-L114 HydrophobicContact CB-CD2 4.13Å; I81-L114 HydrophobicContact CB-CD2 4.13Å; I81-L114 HydrophobicContact CG2-CD2 4.32Å; L106-L114 HydrophobicContact CD1-CD1 3.68Å; L106-L114 HydrophobicContact CG-CD1 3.78Å; L114-Y127 WeakPolarHBondContact CA-OH 3.48Å; L114-Y127 WeakPolarHBondContact CB-OH 3.43Å; L114-Y127 HydrophobicContact CD2-CE1 4.18Å
115Y93.9Very high90.6Very high51 Ų5148.7 Ų48.720%0.227%0.273CS..PPolyproline II helixtrans-93.2161177.7-59.7-63.4000110.3V56 L80 V113 I125 Y127 L272 T274 F277V56-Y115 HydrophobicContact CG2-CD2 4Å; V56-Y115 HydrophobicContact CG2-CE2 4.37Å; L80-Y115 HydrophobicContact CD1-CD2 3.82Å; L80-Y115 HydrophobicContact CD2-CD2 3.77Å; L80-Y115 HydrophobicContact CD2-CE2 3.73Å; L80-Y115 HydrophobicContact CG-CD2 4.46Å; V113-Y115 HydrophobicContact CB-CE1 4.3Å; V113-Y115 HydrophobicContact CG1-CD1 4.37Å; V113-Y115 HydrophobicContact CG1-CE1 4.14Å; Y115-I125 HydrophobicContact CD2-CD1 4.49Å; Y115-I125 HydrophobicContact CG-CD1 4.27Å; Y115-Y127 PolarHBondContact N-OH 2.88Å; Y115-Y127 WeakPolarHBondContact O-CE2 3.31Å; Y115-Y127 PolarHBondContact O-OH 2.68Å; Y115-Y127 VanDerWaalsContact O-OH 3.07Å; Y115-L272 HydrophobicContact CD1-CD1 3.62Å; Y115-L272 HydrophobicContact CD1-CD2 3.73Å; Y115-L272 HydrophobicContact CD1-CG 4.34Å; Y115-L272 HydrophobicContact CE1-CD1 3.7Å; Y115-L272 HydrophobicContact CE1-CD2 4.36Å; Y115-L272 HydrophobicContact CG-CD2 3.97Å; Y115-T274 HydrophobicContact CE1-CG2 4.06Å; Y115-F277 HydrophobicContact CD2-CZ 4.02Å; Y115-F277 HydrophobicContact CE2-CE1 4.29Å; Y115-F277 AromaticContact CE2-CZ 3.85Å; Y115-F277 HydrophobicContact CE2-CZ 3.85Å
116E94.1Very high90.6Very high16 Ų1648 Ų488%0.07526%0.263CS..PPolyproline II helixtrans-63.7136.4171.5-173.6150.4143.300110.1Y118 V150 S152 C269 P270 R305E116-Y118 PolarHBondContact O-N 3.14Å; E116-V150 CarbonylContact C-O 3.54Å; E116-V150 VanDerWaalsContact CA-O 3.27Å; E116-V150 WeakPolarHBondContact CA-O 3.22Å; E116-S152 WeakPolarHBondContact OE2-CB 3.45Å; E116-S152 PolarHBondContact OE2-N 2.71Å; E116-S152 PolarHBondContact OE2-OG 2.69Å; E116-C269 HydrophobicContact CG-CB 4.36Å; E116-P270 VanDerWaalsContact OE1-CD 3.24Å; E116-P270 WeakPolarHBondContact OE1-CD 3.36Å; E116-P270 WeakPolarHBondContact OE2-CD 3.03Å; E116-R305 IonicContact OE1-CZ 3.93Å; E116-R305 IonicContact OE1-NE 2.86Å; E116-R305 PolarHBondContact OE1-NE 3.12Å; E116-R305 IonicContact OE1-NH2 3.86Å; E116-R305 PolarHBondContact OE1-NH2 2.69Å; E116-R305 IonicContact OE2-CZ 3.56Å; E116-R305 IonicContact OE2-NE 3.82Å; E116-R305 PolarHBondContact OE2-NE 3.3Å; E116-R305 IonicContact OE2-NH2 3.47Å
117T95.3Very high90.7Very high16 Ų1648 Ų4810%0.09826%0.263CS..PPolyproline II helixtrans-56131.2173.5-63.20000109H119 I125 Y127 I149 V150T117-H119 WeakPolarHBondContact CG2-NE2 3.43Å; T117-I125 WeakPolarHBondContact CA-O 3.17Å; T117-I125 WeakPolarHBondContact CG2-O 3.34Å; T117-Y127 WeakPolarHBondContact OG1-CD2 3.39Å; T117-I149 HydrophobicContact CG2-CD1 3.78Å; T117-I149 WeakPolarHBondContact OG1-CA 3.19Å; T117-V150 PolarHBondContact N-O 3.24Å; T117-V150 PolarHBondContact OG1-N 2.83Å
118Y94.2Very high91Very high5 Ų544.8 Ų44.82%0.0225%0.248CC..EExtended strand (participates in β ladder)trans-152.9134.6-173169.4-95.3000110.3E116 V123 N124 I125 R224 E226 C269 V279E116-Y118 PolarHBondContact O-N 3.14Å; Y118-V123 HydrophobicContact CD1-CB 4.32Å; Y118-V123 HydrophobicContact CD1-CG1 4.22Å; Y118-V123 WeakPolarHBondContact CD1-O 3.47Å; Y118-V123 HydrophobicContact CE1-CB 3.95Å; Y118-V123 HydrophobicContact CE1-CG1 4.33Å; Y118-V123 WeakPolarHBondContact CE1-O 3.27Å; Y118-N124 CarbonylContact O-C 3.6Å; Y118-N124 WeakPolarHBondContact O-CA 3.34Å; Y118-I125 PolarHBondContact N-O 3.07Å; Y118-I125 PolarHBondContact O-N 3.19Å; Y118-R224 WeakPolarHBondContact OH-CD 3.5Å; Y118-R224 PolarHBondContact OH-NE 2.8Å; Y118-R224 PolarHBondContact OH-NH1 2.8Å; Y118-E226 WeakPolarHBondContact CE1-OE1 3.34Å; Y118-E226 WeakPolarHBondContact OH-CG 3.36Å; Y118-E226 PolarHBondContact OH-OE1 2.77Å; Y118-C269 HydrophobicContact CD2-CB 4.01Å; Y118-C269 WeakPolarHBondContact CD2-SG 3.48Å; Y118-V279 HydrophobicContact CD1-CG2 4.07Å; Y118-V279 HydrophobicContact CD2-CG1 4.29Å; Y118-V279 HydrophobicContact CE1-CG1 4.15Å; Y118-V279 HydrophobicContact CE1-CG2 3.73Å; Y118-V279 HydrophobicContact CE2-CG1 3.65Å
119H93.1Very high91.6Very high66 Ų6643.5 Ų43.531%0.30624%0.239SC..EExtended strand (participates in β ladder)trans-121.796.9-178.3-57.2-56.6000110.3T117 N124 E147 R224T117-H119 WeakPolarHBondContact CG2-NE2 3.43Å; H119-N124 PolarHBondContact ND1-ND2 3.28Å; H119-N124 VanDerWaalsContact ND1-ND2 3.11Å; H119-E147 IonicContact CE1-OE1 3.14Å; H119-E147 PolarHBondContact CE1-OE1 2.71Å; H119-E147 IonicContact NE2-OE1 3.44Å; H119-E147 PolarHBondContact NE2-OE1 2.97Å; H119-E147 IonicContact NE2-OE2 2.9Å; H119-R224 PolarHBondContact O-NH1 2.92Å
120G90.2Very high92.4Very high15 Ų1541.8 Ų41.816%0.15523%0.229CC..  trans-110.2-175.8179.900000114.6V123 E226G120-V123 CarbonylContact C-O 3.57Å; G120-V123 WeakPolarHBondContact CA-O 3.34Å; G120-V123 PolarHBondContact N-O 2.83Å; G120-E226 VanDerWaalsContact CA-OE1 3.26Å; G120-E226 WeakPolarHBondContact CA-OE1 3.44Å
121V88.8Confident93.2Very high50 Ų5038.4 Ų38.430%0.30319%0.194SC..SBendtrans-79.5-51.5173.2-175.40000108.4Q59 E226Q59-V121 WeakPolarHBondContact CG-O 3.46Å; Q59-V121 PolarHBondContact NE2-O 3.47Å; V121-E226 WeakPolarHBondContact CB-OE2 3.49Å; V121-E226 PolarHBondContact N-OE1 2.87Å; V121-E226 PolarHBondContact N-OE2 2.82Å
122F88.6Confident94.1Very high1 Ų131.8 Ų31.80%0.00416%0.158CC..SBendtrans-94.3-31.3-177.1-77.918.2000113.1L58 Q59 L60 E226 C228 A235 D237L58-F122 WeakPolarHBondContact CA-O 3.25Å; Q59-F122 PolarHBondContact N-O 2.91Å; Q59-F122 WeakPolarHBondContact O-CA 3.42Å; Q59-F122 WeakPolarHBondContact O-CB 3.35Å; L60-F122 HydrophobicContact CD2-CE2 4.46Å; F122-E226 HydrophobicContact CB-CB 3.92Å; F122-E226 HydrophobicContact CG-CB 4.49Å; F122-E226 PolarHBondContact N-OE1 2.69Å; F122-E226 PolarHBondContact N-OE2 2.75Å; F122-C228 HydrophobicContact CB-CB 4.33Å; F122-C228 VanDerWaalsContact CD2-SG 3.59Å; F122-A235 HydrophobicContact CD2-CB 4.38Å; F122-A235 HydrophobicContact CE2-CB 3.73Å; F122-D237 HydrophobicContact CD1-CB 4.42Å; F122-D237 HydrophobicContact CD2-CB 4.19Å; F122-D237 HydrophobicContact CE1-CB 3.82Å; F122-D237 HydrophobicContact CE2-CB 3.61Å; F122-D237 HydrophobicContact CZ-CB 3.42Å; F122-D237 VanDerWaalsContact CZ-CB 3.42Å
123V92.5Very high94.7Very high0 Ų027.4 Ų27.40%014%0.139CC..EExtended strand (participates in β ladder)trans-118.3129.4-177.1-176.80000109.1V56 L58 Y118 G120 I125 E226 C228 F277 V279V56-V123 HydrophobicContact CG1-CG1 4.14Å; L58-V123 HydrophobicContact CD2-CB 4.3Å; L58-V123 HydrophobicContact CD2-CG1 4.08Å; L58-V123 HydrophobicContact CD2-CG2 3.89Å; Y118-V123 HydrophobicContact CD1-CB 4.32Å; Y118-V123 HydrophobicContact CD1-CG1 4.22Å; Y118-V123 WeakPolarHBondContact CD1-O 3.47Å; Y118-V123 HydrophobicContact CE1-CB 3.95Å; Y118-V123 HydrophobicContact CE1-CG1 4.33Å; Y118-V123 WeakPolarHBondContact CE1-O 3.27Å; G120-V123 CarbonylContact C-O 3.57Å; G120-V123 WeakPolarHBondContact CA-O 3.34Å; G120-V123 PolarHBondContact N-O 2.83Å; V123-I125 HydrophobicContact CG1-CD1 4.41Å; V123-I125 HydrophobicContact CG1-CG1 4.06Å; V123-E226 PolarHBondContact N-OE1 2.85Å; V123-E226 VanDerWaalsContact N-OE1 3.14Å; V123-C228 HydrophobicContact CG2-CB 4.42Å; V123-F277 HydrophobicContact CB-CD2 4.48Å; V123-F277 HydrophobicContact CG1-CD2 3.57Å; V123-F277 HydrophobicContact CG1-CE2 3.89Å; V123-F277 HydrophobicContact CG1-CG 4.3Å; V123-F277 HydrophobicContact CG2-CB 3.97Å; V123-F277 HydrophobicContact CG2-CD2 4.07Å; V123-F277 HydrophobicContact CG2-CG 4.38Å; V123-V279 HydrophobicContact CB-CG2 4.21Å; V123-V279 HydrophobicContact CG1-CG2 4.18Å; V123-V279 HydrophobicContact CG2-CG2 4.37Å
124N93.9Very high94.9Very high31 Ų3128.4 Ų28.417%0.16614%0.137CC..EExtended strand (participates in β ladder)trans-132.4116.9173.6179-77.5000109.1V56 N57 Y118 H119V56-N124 CarbonylContact C-O 3.6Å; V56-N124 WeakPolarHBondContact CA-O 3.32Å; N57-N124 HydrophobicContact CB-CB 4.29Å; N57-N124 PolarHBondContact N-O 2.86Å; N57-N124 PolarHBondContact O-N 2.85Å; Y118-N124 CarbonylContact O-C 3.6Å; Y118-N124 WeakPolarHBondContact O-CA 3.34Å; H119-N124 PolarHBondContact ND1-ND2 3.28Å; H119-N124 VanDerWaalsContact ND1-ND2 3.11Å
125I95.8Very high94.9Very high1 Ų130 Ų301%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-110.8112.4178.8-50.5-177.1000106.7V56 L80 Y115 T117 Y118 V123 Y127 L272 F277V56-I125 HydrophobicContact CG1-CG1 4.2Å; V56-I125 HydrophobicContact CG2-CG1 4.14Å; V56-I125 HydrophobicContact CG2-CG2 4.39Å; L80-I125 HydrophobicContact CD1-CG2 4.03Å; Y115-I125 HydrophobicContact CD2-CD1 4.49Å; Y115-I125 HydrophobicContact CG-CD1 4.27Å; T117-I125 WeakPolarHBondContact CA-O 3.17Å; T117-I125 WeakPolarHBondContact CG2-O 3.34Å; Y118-I125 PolarHBondContact N-O 3.07Å; Y118-I125 PolarHBondContact O-N 3.19Å; V123-I125 HydrophobicContact CG1-CD1 4.41Å; V123-I125 HydrophobicContact CG1-CG1 4.06Å; I125-Y127 HydrophobicContact CG2-CE2 3.92Å; I125-L272 HydrophobicContact CD1-CD2 3.81Å; I125-F277 HydrophobicContact CD1-CE2 4.01Å; I125-F277 HydrophobicContact CD1-CZ 4.35Å
126Q97Very high94.8Very high61 Ų6129 Ų2929%0.28514%0.142SC..EExtended strand (participates in β ladder)trans-132.1142-171.3172.3166.165.800111.5G54 I55 E147G54-Q126 CarbonylContact C-O 3.53Å; G54-Q126 VanDerWaalsContact CA-O 3.3Å; G54-Q126 WeakPolarHBondContact CA-O 3.31Å; I55-Q126 PolarHBondContact N-O 3.25Å; I55-Q126 PolarHBondContact O-N 3.04Å; Q126-E147 VanDerWaalsContact CG-OE1 3.31Å; Q126-E147 WeakPolarHBondContact CG-OE1 3.17Å; Q126-E147 PolarHBondContact NE2-OE1 2.93Å
127Y98Very high94.3Very high0 Ų036.6 Ų36.60%018%0.182CC..EExtended strand (participates in β ladder)trans-124.6122.3175.6-65.4-94.7000110.2D53 L80 I81 L114 Y115 T117 I125 E147 F148 V150D53-Y127 CarbonylContact O-C 3.55Å; D53-Y127 WeakPolarHBondContact O-CA 3.42Å; L80-Y127 HydrophobicContact CD1-CE1 4.49Å; L80-Y127 VanDerWaalsContact CD1-OH 3.25Å; L80-Y127 WeakPolarHBondContact CD1-OH 3.19Å; I81-Y127 HydrophobicContact CG2-CD1 4.13Å; I81-Y127 HydrophobicContact CG2-CE1 4.02Å; L114-Y127 WeakPolarHBondContact CA-OH 3.48Å; L114-Y127 WeakPolarHBondContact CB-OH 3.43Å; L114-Y127 HydrophobicContact CD2-CE1 4.18Å; Y115-Y127 PolarHBondContact N-OH 2.88Å; Y115-Y127 WeakPolarHBondContact O-CE2 3.31Å; Y115-Y127 PolarHBondContact O-OH 2.68Å; Y115-Y127 VanDerWaalsContact O-OH 3.07Å; T117-Y127 WeakPolarHBondContact OG1-CD2 3.39Å; I125-Y127 HydrophobicContact CG2-CE2 3.92Å; Y127-E147 WeakPolarHBondContact O-CA 3.3Å; Y127-F148 HydrophobicContact CD1-CE2 4.44Å; Y127-F148 HydrophobicContact CD1-CZ 4.32Å; Y127-F148 HydrophobicContact CG-CE2 4.3Å; Y127-F148 HydrophobicContact CG-CZ 4.36Å; Y127-F148 PolarHBondContact O-N 3.41Å; Y127-V150 HydrophobicContact CD1-CG2 3.74Å; Y127-V150 HydrophobicContact CD2-CB 3.82Å; Y127-V150 HydrophobicContact CD2-CG2 3.47Å; Y127-V150 VanDerWaalsContact CD2-CG2 3.47Å; Y127-V150 HydrophobicContact CE1-CG2 3.94Å; Y127-V150 HydrophobicContact CE2-CB 3.67Å; Y127-V150 HydrophobicContact CE2-CG1 4.36Å; Y127-V150 HydrophobicContact CE2-CG2 3.7Å; Y127-V150 HydrophobicContact CG-CB 4.34Å; Y127-V150 HydrophobicContact CG-CG2 3.49Å; Y127-V150 VanDerWaalsContact CG-CG2 3.49Å
128T98.3Very high93.4Very high26 Ų2644.4 Ų44.416%0.1622%0.222CC..EExtended strand (participates in β ladder)trans-134.6138.4-170.5-620000111.2M52 D53 C146M52-T128 WeakPolarHBondContact CA-O 3.36Å; D53-T128 PolarHBondContact N-O 3.12Å; D53-T128 PolarHBondContact O-N 3.01Å; T128-C146 WeakPolarHBondContact CA-O 3.29Å
129L98.6Very high93.1Very high0 Ų046.3 Ų46.30%024%0.239CC..EExtended strand (participates in β ladder)trans-91.9134.1159.5-67.7174.6000109.4I16 L18 V31 L50 S51 M52 F102 F104 S145 C146 F148I16-L129 HydrophobicContact CD1-CB 4.11Å; I16-L129 HydrophobicContact CG2-CB 4.44Å; I16-L129 HydrophobicContact CG2-CD1 3.98Å; L18-L129 HydrophobicContact CD2-CD1 3.53Å; L18-L129 HydrophobicContact CG-CD1 4.44Å; V31-L129 HydrophobicContact CG1-CD1 3.99Å; V31-L129 HydrophobicContact CG1-CD2 4.48Å; V31-L129 HydrophobicContact CG1-CG 4.49Å; L50-L129 HydrophobicContact CD1-CB 4.47Å; S51-L129 CarbonylContact O-C 3.47Å; S51-L129 VanDerWaalsContact O-CA 3.22Å; S51-L129 WeakPolarHBondContact O-CA 3.31Å; M52-L129 HydrophobicContact CB-CD2 3.69Å; M52-L129 HydrophobicContact CG-CD2 3.93Å; F102-L129 HydrophobicContact CE2-CD1 3.63Å; F102-L129 HydrophobicContact CZ-CD1 3.6Å; F104-L129 HydrophobicContact CD2-CD2 3.76Å; F104-L129 HydrophobicContact CE2-CD2 3.86Å; L129-S145 CarbonylContact O-C 3.49Å; L129-S145 WeakPolarHBondContact O-CA 3.37Å; L129-C146 PolarHBondContact N-O 2.75Å; L129-C146 PolarHBondContact O-N 2.76Å; L129-F148 HydrophobicContact CG-CD1 4.28Å; L129-F148 HydrophobicContact CG-CE1 4.21Å
130R98.4Very high92.9Very high109 Ų10951.3 Ų51.341%0.41126%0.26SS..EExtended strand (participates in β ladder)trans-127.8120.9175.1179.5-176170.51138.3110.2L50 S51 D132 S143 R144L50-R130 CarbonylContact C-O 3.54Å; L50-R130 WeakPolarHBondContact CA-O 3.45Å; S51-R130 PolarHBondContact N-O 3.46Å; S51-R130 PolarHBondContact O-N 3.09Å; R130-D132 IonicContact CZ-OD1 3.4Å; R130-D132 IonicContact CZ-OD2 3.34Å; R130-D132 IonicContact NE-OD1 2.84Å; R130-D132 PolarHBondContact NE-OD1 3.25Å; R130-D132 VanDerWaalsContact NE-OD1 3.14Å; R130-D132 IonicContact NE-OD2 3.35Å; R130-D132 PolarHBondContact NE-OD2 2.8Å; R130-D132 IonicContact NH2-OD1 3.53Å; R130-D132 PolarHBondContact NH2-OD1 3.4Å; R130-D132 IonicContact NH2-OD2 3.06Å; R130-S143 VanDerWaalsContact CZ-OG 3.26Å; R130-S143 PolarHBondContact NE-OG 2.98Å; R130-S143 PolarHBondContact NH2-OG 3.36Å; R130-R144 CarbonylContact C-O 3.58Å; R130-R144 WeakPolarHBondContact CA-O 3.49Å
131C98.4Very high93.1Very high0 Ų053.6 Ų53.60%027%0.268CS..EExtended strand (participates in β ladder)trans-102.6124.5174.4-1680000109.3L14 I16 A49 L50 S143 R144L14-C131 HydrophobicContact CD2-CB 4.21Å; I16-C131 HydrophobicContact CD1-CB 3.82Å; I16-C131 HydrophobicContact CG1-CB 3.97Å; A49-C131 CarbonylContact O-C 3.45Å; A49-C131 WeakPolarHBondContact O-CA 3.49Å; L50-C131 HydrophobicContact CD1-CB 3.68Å; C131-S143 CarbonylContact O-C 3.58Å; C131-S143 VanDerWaalsContact O-CA 3.26Å; C131-S143 WeakPolarHBondContact O-CA 3.27Å; C131-S143 PolarHBondContact O-OG 3.09Å; C131-R144 PolarHBondContact N-O 3.38Å; C131-R144 PolarHBondContact O-N 2.89Å
132D97.9Very high93.4Very high35 Ų3552.9 Ų52.919%0.18726%0.263CS..EExtended strand (participates in β ladder)trans-115.9120.5175.5-68.9-66.4000109.7I48 A49 R130 S143I48-D132 WeakPolarHBondContact CA-O 3.47Å; A49-D132 PolarHBondContact N-O 3.22Å; A49-D132 PolarHBondContact O-N 3.22Å; R130-D132 IonicContact CZ-OD1 3.4Å; R130-D132 IonicContact CZ-OD2 3.34Å; R130-D132 IonicContact NE-OD1 2.84Å; R130-D132 PolarHBondContact NE-OD1 3.25Å; R130-D132 VanDerWaalsContact NE-OD1 3.14Å; R130-D132 IonicContact NE-OD2 3.35Å; R130-D132 PolarHBondContact NE-OD2 2.8Å; R130-D132 IonicContact NH2-OD1 3.53Å; R130-D132 PolarHBondContact NH2-OD1 3.4Å; R130-D132 IonicContact NH2-OD2 3.06Å; D132-S143 WeakPolarHBondContact OD1-CB 3.27Å; D132-S143 PolarHBondContact OD1-OG 2.84Å
133L97.1Very high93.8Very high0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-101.9111.2172.8170.572.5000108.6L14 L37 L43 H45 I48 R135 L142L14-L133 HydrophobicContact CD2-CB 4.18Å; L37-L133 HydrophobicContact CD2-CD2 3.99Å; L43-L133 HydrophobicContact CD2-CD2 3.84Å; H45-L133 HydrophobicContact CB-CD1 3.53Å; I48-L133 HydrophobicContact CD1-CD1 3.82Å; I48-L133 HydrophobicContact CG1-CD1 3.55Å; L133-R135 HydrophobicContact CD2-CG 4.3Å; L133-R135 HydrophobicContact CG-CG 4.23Å; L133-L142 HydrophobicContact CB-CB 4.21Å; L133-L142 HydrophobicContact CD2-CB 4.21Å; L133-L142 HydrophobicContact CD2-CD1 3.92Å; L133-L142 HydrophobicContact CD2-CG 4.26Å; L133-L142 PolarHBondContact N-O 2.92Å; L133-L142 PolarHBondContact O-N 3.03Å; L133-L142 VanDerWaalsContact O-N 3.11Å
134K95.9Very high94.1Very high101 Ų10161.5 Ų61.544%0.43930%0.304SS..  trans-80.3123.1176.6-64.3-59.2-175.4174.90110.4H45 N46 G47 D141H45-K134 CarbonylContact C-O 3.6Å; H45-K134 WeakPolarHBondContact CA-O 3.46Å; H45-K134 WeakPolarHBondContact CB-O 3.04Å; N46-K134 HydrophobicContact CB-CB 3.95Å; N46-K134 PolarHBondContact N-O 2.89Å; G47-K134 PolarHBondContact O-N 2.57Å; K134-D141 WeakPolarHBondContact CA-OD1 3.49Å; K134-D141 WeakPolarHBondContact CD-OD2 3.47Å; K134-D141 WeakPolarHBondContact CE-OD2 3.3Å; K134-D141 IonicContact NZ-OD2 3.4Å; K134-D141 PolarHBondContact NZ-OD2 3.33Å
135R92.9Very high94.2Very high47 Ų4763.1 Ų63.118%0.17732%0.318CS..  trans-105.3152.2-179.4-63.2-161.6-70.6-175.4-2.3111.5L133 A139 K140 D141L133-R135 HydrophobicContact CD2-CG 4.3Å; L133-R135 HydrophobicContact CG-CG 4.23Å; R135-A139 HydrophobicContact CB-CB 3.85Å; R135-K140 PolarHBondContact NE-O 3.35Å; R135-K140 PolarHBondContact NH2-O 3.06Å; R135-D141 PolarHBondContact N-OD1 3.44Å
136P92.1Very high94.3Very high29 Ų2963.9 Ų63.919%0.18832%0.323CS..SBendtrans-67.1151.1178-20.833.1000113.4Q44 L138 A139Q44-P136 HydrophobicContact CB-CG 4.09Å; Q44-P136 HydrophobicContact CG-CG 3.88Å; Q44-P136 WeakPolarHBondContact O-CD 3.24Å; P136-L138 PolarHBondContact O-N 2.78Å; P136-A139 WeakPolarHBondContact O-CB 3.48Å; P136-A139 PolarHBondContact O-N 2.83Å
137L83.8Confident94.3Very high175 Ų17564.2 Ų64.292%0.91632%0.324SS*.THydrogen-bonded Turntrans59.3-127166.7-56.5170000114
138L77.1Confident94.3Very high180 Ų18064.2 Ų64.294%0.94232%0.324SS*.THydrogen-bonded Turntrans-87.8-1.1-176.3-64.8169.6000113P136 K140P136-L138 PolarHBondContact O-N 2.78Å; L138-K140 PolarHBondContact O-N 2.79Å
139A85.8Confident94.2Very high45 Ų4565 Ų6537%0.37233%0.327SS..SBendtrans-71.9123177.700000109.6R135 P136 D141R135-A139 HydrophobicContact CB-CB 3.85Å; P136-A139 WeakPolarHBondContact O-CB 3.48Å; P136-A139 PolarHBondContact O-N 2.83Å; A139-D141 PolarHBondContact O-N 2.91Å
140K90Very high94Very high172 Ų17265.1 Ų65.175%0.74833%0.328SS*.PPolyproline II helixtrans-54.8132.6178.3-177.3179.7178.6177.50110.9R135 L138R135-K140 PolarHBondContact NE-O 3.35Å; R135-K140 PolarHBondContact NH2-O 3.06Å; L138-K140 PolarHBondContact O-N 2.79Å
141D94.3Very high93.8Very high62 Ų6262.1 Ų62.133%0.33232%0.318SS..PPolyproline II helixtrans-59152.4173.7-69.8-24.8000112.1K134 R135 A139K134-D141 WeakPolarHBondContact CA-OD1 3.49Å; K134-D141 WeakPolarHBondContact CD-OD2 3.47Å; K134-D141 WeakPolarHBondContact CE-OD2 3.3Å; K134-D141 IonicContact NZ-OD2 3.4Å; K134-D141 PolarHBondContact NZ-OD2 3.33Å; R135-D141 PolarHBondContact N-OD1 3.44Å; A139-D141 PolarHBondContact O-N 2.91Å
142L95.3Very high93.2Very high35 Ų3563.2 Ų63.218%0.18333%0.326CS..EExtended strand (participates in β ladder)trans-100.8137.6170.5-58.2-176.6000109.3V12 L14 L133V12-L142 HydrophobicContact CB-CD1 3.84Å; V12-L142 HydrophobicContact CG1-CD1 3.41Å; V12-L142 VanDerWaalsContact CG1-CD1 3.41Å; L14-L142 HydrophobicContact CB-CB 4.44Å; L14-L142 HydrophobicContact CD2-CB 4.17Å; L133-L142 HydrophobicContact CB-CB 4.21Å; L133-L142 HydrophobicContact CD2-CB 4.21Å; L133-L142 HydrophobicContact CD2-CD1 3.92Å; L133-L142 HydrophobicContact CD2-CG 4.26Å; L133-L142 PolarHBondContact N-O 2.92Å; L133-L142 PolarHBondContact O-N 3.03Å; L133-L142 VanDerWaalsContact O-N 3.11Å
143S96.8Very high92.5Very high55 Ų5566.3 Ų66.339%0.38534%0.34SS..EExtended strand (participates in β ladder)trans-135.6141.6175.5-166.80000109.8R130 C131 D132R130-S143 VanDerWaalsContact CZ-OG 3.26Å; R130-S143 PolarHBondContact NE-OG 2.98Å; R130-S143 PolarHBondContact NH2-OG 3.36Å; C131-S143 CarbonylContact O-C 3.58Å; C131-S143 VanDerWaalsContact O-CA 3.26Å; C131-S143 WeakPolarHBondContact O-CA 3.27Å; C131-S143 PolarHBondContact O-OG 3.09Å; D132-S143 WeakPolarHBondContact OD1-CB 3.27Å; D132-S143 PolarHBondContact OD1-OG 2.84Å
144R97.9Very high91.7Very high127 Ų12768.9 Ų68.948%0.47936%0.356SS..EExtended strand (participates in β ladder)trans-137133.9175.1-168.372.9169.81671.2109.4L14 D15 I16 R130 C131L14-R144 HydrophobicContact CD2-CB 4.11Å; L14-R144 HydrophobicContact CG-CB 4.01Å; L14-R144 WeakPolarHBondContact O-CD 3.39Å; D15-R144 IonicContact OD1-NE 3.35Å; D15-R144 PolarHBondContact OD1-NE 2.96Å; D15-R144 IonicContact OD1-NH2 3.96Å; I16-R144 WeakPolarHBondContact CD1-O 3.44Å; I16-R144 HydrophobicContact CG1-CG 4.43Å; R130-R144 CarbonylContact C-O 3.58Å; R130-R144 WeakPolarHBondContact CA-O 3.49Å; C131-R144 PolarHBondContact N-O 3.38Å; C131-R144 PolarHBondContact O-N 2.89Å
145S97.8Very high90.8Very high66 Ų6667.1 Ų67.146%0.46235%0.35SS..EExtended strand (participates in β ladder)trans-114.6147.3173.7-61.60000111.2L129L129-S145 CarbonylContact O-C 3.49Å; L129-S145 WeakPolarHBondContact O-CA 3.37Å
146C96.6Very high89.6Confident17 Ų1775.2 Ų75.212%0.11539%0.386CS..EExtended strand (participates in β ladder)trans-138.4119.4174.6-170.90000109.4I16 T128 L129I16-C146 HydrophobicContact CB-CB 3.99Å; I16-C146 HydrophobicContact CD1-CB 4.21Å; I16-C146 HydrophobicContact CG2-CB 4.08Å; T128-C146 WeakPolarHBondContact CA-O 3.29Å; L129-C146 PolarHBondContact N-O 2.75Å; L129-C146 PolarHBondContact O-N 2.76Å
147E97.7Very high88.3Confident68 Ų6877.3 Ų77.332%0.31840%0.401SS..EExtended strand (participates in β ladder)trans-77.4145.2172179.7170.4-120.700111.2H119 Q126 Y127H119-E147 IonicContact CE1-OE1 3.14Å; H119-E147 PolarHBondContact CE1-OE1 2.71Å; H119-E147 IonicContact NE2-OE1 3.44Å; H119-E147 PolarHBondContact NE2-OE1 2.97Å; H119-E147 IonicContact NE2-OE2 2.9Å; Q126-E147 VanDerWaalsContact CG-OE1 3.31Å; Q126-E147 WeakPolarHBondContact CG-OE1 3.17Å; Q126-E147 PolarHBondContact NE2-OE1 2.93Å; Y127-E147 WeakPolarHBondContact O-CA 3.3Å
148F97.7Very high87.4Confident0 Ų078.4 Ų78.40%040%0.399CS..EExtended strand (participates in β ladder)trans-130.6157.3166.765.5-86.1000110.2L18 K23 Y25 V31 M52 L106 Y127 L129 V150L18-F148 HydrophobicContact CD1-CB 3.89Å; K23-F148 HydrophobicContact CB-CB 4.37Å; Y25-F148 HydrophobicContact CD2-CB 4.12Å; Y25-F148 AromaticContact CD2-CD2 3.71Å; Y25-F148 HydrophobicContact CD2-CD2 3.71Å; Y25-F148 HydrophobicContact CD2-CG 4.25Å; Y25-F148 HydrophobicContact CE2-CB 4.06Å; Y25-F148 HydrophobicContact CE2-CD2 4.31Å; Y25-F148 HydrophobicContact CE2-CG 4.43Å; Y25-F148 HydrophobicContact CG-CD2 4.42Å; V31-F148 HydrophobicContact CG2-CD2 4.35Å; V31-F148 HydrophobicContact CG2-CE2 3.88Å; V31-F148 HydrophobicContact CG2-CZ 4.05Å; M52-F148 HydrophobicContact CG-CE1 4Å; M52-F148 HydrophobicContact CG-CZ 3.95Å; M52-F148 HydrophobicContact SD-CE1 4.34Å; M52-F148 HydrophobicContact SD-CZ 3.85Å; L106-F148 HydrophobicContact CD1-CE2 4.16Å; L106-F148 HydrophobicContact CD1-CZ 4.31Å; L106-F148 HydrophobicContact CD2-CE2 4.24Å; Y127-F148 HydrophobicContact CD1-CE2 4.44Å; Y127-F148 HydrophobicContact CD1-CZ 4.32Å; Y127-F148 HydrophobicContact CG-CE2 4.3Å; Y127-F148 HydrophobicContact CG-CZ 4.36Å; Y127-F148 PolarHBondContact O-N 3.41Å; L129-F148 HydrophobicContact CG-CD1 4.28Å; L129-F148 HydrophobicContact CG-CE1 4.21Å; F148-V150 HydrophobicContact CD2-CG2 4.06Å; F148-V150 HydrophobicContact CE2-CG2 3.68Å
149I96.1Very high87.2Confident43 Ų4371.7 Ų71.722%0.22136%0.363CS..EExtended strand (participates in β ladder)trans-96.8130.6-175.8-53.9-54.5000108.5K23 V24 Y25 T117K23-I149 PolarHBondContact O-N 2.84Å; V24-I149 CarbonylContact C-O 3.55Å; V24-I149 WeakPolarHBondContact CA-O 3.36Å; V24-I149 HydrophobicContact CG2-CB 4.12Å; V24-I149 HydrophobicContact CG2-CG2 4.32Å; Y25-I149 PolarHBondContact N-O 3.16Å; T117-I149 HydrophobicContact CG2-CD1 3.78Å; T117-I149 WeakPolarHBondContact OG1-CA 3.19Å
150V95.6Very high86.8Confident2 Ų274.5 Ų74.51%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-104.2123.4167.9178.80000107.4Y25 L106 E116 T117 Y127 F148Y25-V150 CarbonylContact O-C 3.59Å; Y25-V150 VanDerWaalsContact O-CA 3.31Å; Y25-V150 WeakPolarHBondContact O-CA 3.42Å; L106-V150 HydrophobicContact CD1-CG2 4.48Å; L106-V150 HydrophobicContact CD2-CG2 3.93Å; E116-V150 CarbonylContact C-O 3.54Å; E116-V150 VanDerWaalsContact CA-O 3.27Å; E116-V150 WeakPolarHBondContact CA-O 3.22Å; T117-V150 PolarHBondContact N-O 3.24Å; T117-V150 PolarHBondContact OG1-N 2.83Å; Y127-V150 HydrophobicContact CD1-CG2 3.74Å; Y127-V150 HydrophobicContact CD2-CB 3.82Å; Y127-V150 HydrophobicContact CD2-CG2 3.47Å; Y127-V150 VanDerWaalsContact CD2-CG2 3.47Å; Y127-V150 HydrophobicContact CE1-CG2 3.94Å; Y127-V150 HydrophobicContact CE2-CB 3.67Å; Y127-V150 HydrophobicContact CE2-CG1 4.36Å; Y127-V150 HydrophobicContact CE2-CG2 3.7Å; Y127-V150 HydrophobicContact CG-CB 4.34Å; Y127-V150 HydrophobicContact CG-CG2 3.49Å; Y127-V150 VanDerWaalsContact CG-CG2 3.49Å; F148-V150 HydrophobicContact CD2-CG2 4.06Å; F148-V150 HydrophobicContact CE2-CG2 3.68Å
151H92.4Very high86.2Confident45 Ų4570.2 Ų70.221%0.20837%0.365CS..EExtended strand (participates in β ladder)trans-92.1143.8166.3-78.9179.1000109.6V24 Y25V24-H151 HydrophobicContact CG1-CB 4.29Å; V24-H151 WeakPolarHBondContact CG1-ND1 3.36Å; Y25-H151 PolarHBondContact O-N 2.92Å
152S86.1Confident86Confident24 Ų2470.1 Ų70.117%0.16837%0.367CS..PPolyproline II helixtrans-59.3146167.756.80000110.3E116 P270E116-S152 WeakPolarHBondContact OE2-CB 3.45Å; E116-S152 PolarHBondContact OE2-N 2.71Å; E116-S152 PolarHBondContact OE2-OG 2.69Å; S152-P270 WeakPolarHBondContact OG-CG 3.44Å
153Q83.3Confident85.9Confident100 Ų10072.9 Ų72.947%0.46739%0.387SS..PPolyproline II helixtrans-59.7141.9169.9-74.3-69.5-12.900109.4E27 Q155E27-Q153 PolarHBondContact O-NE2 3.06Å; Q153-Q155 PolarHBondContact O-N 3Å
154P79.9Confident85.9Confident54 Ų5472.2 Ų72.235%0.35138%0.381SS..PPolyproline II helixtrans-47.9126.1174.5-3137.3000111.6K156 V306P154-K156 PolarHBondContact O-N 3.2Å; P154-K156 VanDerWaalsContact O-N 3.13Å; P154-V306 WeakPolarHBondContact CB-OXT 3.46Å
155Q78.8Confident85.9Confident64 Ų6474.9 Ų74.930%0.29940%0.396SS..  trans-67.2115.1178.1-69.3-180-1500108.1Q153 S157 C304 R305Q153-Q155 PolarHBondContact O-N 3Å; Q155-S157 PolarHBondContact O-N 2.9Å; Q155-S157 VanDerWaalsContact O-N 3.09Å; Q155-C304 VanDerWaalsContact OE1-CB 3.31Å; Q155-C304 PolarHBondContact OE1-SG 3.3Å; Q155-R305 PolarHBondContact N-O 3.12Å
156K66.3Low85.8Confident217 Ų21772.6 Ų72.694%0.94338%0.377SS*.  trans-65.3-12.2-175.8-64.9-175.5-179.5178.90114P154P154-K156 PolarHBondContact O-N 3.2Å; P154-K156 VanDerWaalsContact O-N 3.13Å
157S64.3Low85.9Confident73 Ų7374.4 Ų74.451%0.5139%0.391SS..SBendtrans-70.4132.217950.10000110.9Q155 I159Q155-S157 PolarHBondContact O-N 2.9Å; Q155-S157 VanDerWaalsContact O-N 3.09Å; S157-I159 PolarHBondContact O-N 3.11Å
158K66.4Low85.8Confident197 Ų19771.2 Ų71.286%0.85738%0.376SS*.  trans-57112.8164.5-71.1-175.5178.2-178.40107.9V160K158-V160 PolarHBondContact O-N 3.22Å; K158-V160 VanDerWaalsContact O-N 3.12Å
159I71.9Confident85.7Confident39 Ų3972.5 Ų72.520%0.238%0.383CS..  trans-67.4112.5168.9-63.4171.6000105.9S157 P161 V197 C304 V306S157-I159 PolarHBondContact O-N 3.11Å; I159-P161 WeakPolarHBondContact O-CD 3.43Å; I159-V197 HydrophobicContact CD1-CG2 3.47Å; I159-V197 VanDerWaalsContact CD1-CG2 3.47Å; I159-C304 HydrophobicContact CD1-CB 3.4Å; I159-C304 HydrophobicContact CG1-CB 4.18Å; I159-V306 HydrophobicContact CD1-CG1 3.32Å; I159-V306 HydrophobicContact CG1-CG1 4.06Å
160V78.2Confident85.5Confident105 Ų10571 Ų7164%0.63638%0.377SS*.  trans-89.4116.4170-178.80000105.4K158 T162K158-V160 PolarHBondContact O-N 3.22Å; K158-V160 VanDerWaalsContact O-N 3.12Å; V160-T162 PolarHBondContact O-N 3.34Å
161P77.6Confident85.3Confident81 Ų8177.5 Ų77.553%0.52641%0.407SS..  trans-52.4136.2172.9-25.734.8000109.6I159 P163 A193I159-P161 WeakPolarHBondContact O-CD 3.43Å; P161-P163 VanDerWaalsContact C-CD 3.45Å; P161-P163 VanDerWaalsContact O-CD 3.27Å; P161-P163 WeakPolarHBondContact O-CD 3.34Å; P161-A193 HydrophobicContact CB-CB 4.21Å
162T88.8Confident85.1Confident60 Ų6078.3 Ų78.337%0.36842%0.415SS..  trans-114.579.6175.843.80000108.4V160 A193 T194 S195V160-T162 PolarHBondContact O-N 3.34Å; T162-A193 CarbonylContact O-C 3.53Å; T162-A193 WeakPolarHBondContact O-CA 3.3Å; T162-T194 WeakPolarHBondContact CB-OG1 3.12Å; T162-T194 PolarHBondContact O-N 2.88Å; T162-T194 PolarHBondContact O-OG1 2.84Å; T162-T194 PolarHBondContact OG1-N 2.81Å; T162-T194 PolarHBondContact OG1-OG1 3.34Å; T162-S195 PolarHBondContact OG1-N 3.35Å
163P93.9Very high85.1Confident94 Ų9477.6 Ų77.661%0.6141%0.409SS*.  trans-61.4141.2178.5-15.926.7000110.3P161 L191 D192P161-P163 VanDerWaalsContact C-CD 3.45Å; P161-P163 VanDerWaalsContact O-CD 3.27Å; P161-P163 WeakPolarHBondContact O-CD 3.34Å; P163-L191 VanDerWaalsContact CA-O 3.31Å; P163-L191 WeakPolarHBondContact CA-O 3.32Å; P163-D192 WeakPolarHBondContact CA-O 3.39Å; P163-D192 WeakPolarHBondContact CB-O 3.46Å; P163-D192 WeakPolarHBondContact CG-O 3.41Å
164V96.5Very high85Confident40 Ų4079.9 Ų79.924%0.24242%0.42CS..EExtended strand (participates in β ladder)trans-125.6123.8175.961.30000109.2H190 L191 T194 F299V164-H190 CarbonylContact O-C 3.53Å; V164-H190 WeakPolarHBondContact O-CA 3.33Å; V164-H190 VanDerWaalsContact O-CB 3.31Å; V164-H190 WeakPolarHBondContact O-CB 3.49Å; V164-L191 HydrophobicContact CG1-CB 3.81Å; V164-L191 HydrophobicContact CG1-CD1 4.08Å; V164-L191 HydrophobicContact CG1-CG 4.13Å; V164-L191 PolarHBondContact N-O 2.8Å; V164-L191 PolarHBondContact O-N 2.9Å; V164-T194 HydrophobicContact CB-CG2 4.15Å; V164-T194 HydrophobicContact CG1-CG2 3.55Å; V164-F299 HydrophobicContact CG1-CD1 4.03Å; V164-F299 HydrophobicContact CG1-CE1 4.33Å; V164-F299 HydrophobicContact CG2-CD1 4.28Å; V164-F299 HydrophobicContact CG2-CE1 4.22Å
165K97.4Very high84.9Confident184 Ų18485.1 Ų85.180%0.845%0.445SS*.EExtended strand (participates in β ladder)trans-93.1142.7168.7-65.2-176.1177.5-1770108.6G189 H190K165-G189 WeakPolarHBondContact CA-O 3.43Å; K165-H190 HydrophobicContact CG-CB 4.04Å
166F96.9Very high84.8Confident17 Ų1784 Ų848%0.07544%0.442CS..EExtended strand (participates in β ladder)trans-134.4155.2178.459-96.2000111.7I168 R188 G189 L191 V206 V285 F299F166-I168 HydrophobicContact CD2-CD1 4.21Å; F166-I168 HydrophobicContact CD2-CG1 4.06Å; F166-I168 HydrophobicContact CE2-CD1 4.37Å; F166-R188 WeakPolarHBondContact O-CA 3.44Å; F166-G189 VanDerWaalsContact CE1-C 3.43Å; F166-G189 VanDerWaalsContact CZ-CA 3.48Å; F166-G189 PolarHBondContact N-O 2.77Å; F166-G189 PolarHBondContact O-N 2.95Å; F166-G189 VanDerWaalsContact O-N 3.12Å; F166-L191 HydrophobicContact CE1-CG 4.44Å; F166-V206 HydrophobicContact CZ-CG2 4.1Å; F166-V285 HydrophobicContact CZ-CG2 4.43Å; F166-F299 HydrophobicContact CB-CE1 3.87Å; F166-F299 HydrophobicContact CB-CZ 3.63Å; F166-F299 AromaticContact CD1-CE1 3.93Å; F166-F299 HydrophobicContact CD1-CE1 3.93Å; F166-F299 HydrophobicContact CD1-CE2 4.18Å; F166-F299 AromaticContact CD1-CZ 3.41Å; F166-F299 HydrophobicContact CD1-CZ 3.41Å; F166-F299 VanDerWaalsContact CD1-CZ 3.41Å; F166-F299 HydrophobicContact CD2-CZ 4.27Å; F166-F299 HydrophobicContact CE1-CE2 4.46Å; F166-F299 HydrophobicContact CE1-CZ 4.1Å; F166-F299 HydrophobicContact CG-CE1 4.14Å; F166-F299 HydrophobicContact CG-CE2 4.47Å; F166-F299 AromaticContact CG-CZ 3.52Å; F166-F299 HydrophobicContact CG-CZ 3.52Å
167S97.2Very high85.1Confident56 Ų5685.5 Ų85.539%0.39244%0.442SS..EExtended strand (participates in β ladder)trans-143.3114.4174.7-175.50000107.6T172 L186 I187S167-T172 PolarHBondContact O-OG1 2.96Å; S167-L186 WeakPolarHBondContact OG-CD1 3.33Å; S167-I187 CarbonylContact C-O 3.47Å; S167-I187 WeakPolarHBondContact CA-O 3.19Å
168I96.1Very high85.8Confident1 Ų187.3 Ų87.31%0.00544%0.443CS..EExtended strand (participates in β ladder)trans-103.8119.5-177.1-39.4170.5000108F166 T172 L173 F185 I187 I295 E297F166-I168 HydrophobicContact CD2-CD1 4.21Å; F166-I168 HydrophobicContact CD2-CG1 4.06Å; F166-I168 HydrophobicContact CE2-CD1 4.37Å; I168-T172 WeakPolarHBondContact CA-OG1 3.48Å; I168-L173 HydrophobicContact CG2-CD2 3.74Å; I168-L173 HydrophobicContact CG2-CG 4.32Å; I168-F185 HydrophobicContact CG2-CE2 4.1Å; I168-I187 HydrophobicContact CB-CB 4.26Å; I168-I187 HydrophobicContact CD1-CB 4.4Å; I168-I187 HydrophobicContact CD1-CG2 4.32Å; I168-I187 PolarHBondContact N-O 2.93Å; I168-I187 PolarHBondContact O-N 3.33Å; I168-I295 HydrophobicContact CG2-CG2 3.71Å; I168-E297 HydrophobicContact CD1-CB 3.59Å; I168-E297 HydrophobicContact CD1-CG 4.36Å; I168-E297 HydrophobicContact CG1-CB 4.01Å; I168-E297 HydrophobicContact CG1-CG 4.31Å
169T95.3Very high86.4Confident26 Ų2683 Ų8316%0.1642%0.421CS..  trans-132.2166.6172.875.70000109E171 T172 L173 L186T169-E171 WeakPolarHBondContact CB-OE2 3.33Å; T169-E171 PolarHBondContact O-N 3.34Å; T169-E171 VanDerWaalsContact O-N 3.07Å; T169-E171 PolarHBondContact OG1-N 2.84Å; T169-E171 PolarHBondContact OG1-OE2 2.75Å; T169-T172 PolarHBondContact N-OG1 3.35Å; T169-T172 PolarHBondContact O-N 3.43Å; T169-T172 PolarHBondContact O-OG1 2.96Å; T169-T172 VanDerWaalsContact O-OG1 3.1Å; T169-L173 PolarHBondContact O-N 2.77Å; T169-L186 HydrophobicContact CG2-CD1 3.75Å
170P92.9Very high86.7Confident12 Ų1286.7 Ų86.78%0.07845%0.45CS..THydrogen-bonded Turntrans-52.9-30174.7-28.436.3000113.9R179 L182 P183 F185P170-R179 PolarHBondContact O-NH1 2.69Å; P170-L182 HydrophobicContact CB-CB 4.21Å; P170-L182 HydrophobicContact CB-CD1 4.09Å; P170-P183 WeakPolarHBondContact CG-O 3.47Å; P170-F185 HydrophobicContact CB-CE1 4.49Å; P170-F185 HydrophobicContact CB-CZ 4.48Å; P170-F185 HydrophobicContact CG-CD1 4.1Å; P170-F185 HydrophobicContact CG-CE1 3.71Å; P170-F185 HydrophobicContact CG-CE2 4.5Å; P170-F185 HydrophobicContact CG-CZ 3.92Å
171E90.3Very high86.9Confident139 Ų13987.9 Ų87.965%0.6545%0.448SS*.THydrogen-bonded Turntrans-77.9-29.8179.3-56.573.9-156.700113.1T169 R179T169-E171 WeakPolarHBondContact CB-OE2 3.33Å; T169-E171 PolarHBondContact O-N 3.34Å; T169-E171 VanDerWaalsContact O-N 3.07Å; T169-E171 PolarHBondContact OG1-N 2.84Å; T169-E171 PolarHBondContact OG1-OE2 2.75Å; E171-R179 VanDerWaalsContact C-NH1 3.32Å; E171-R179 PolarHBondContact O-NH1 3.36Å
172T89.1Confident87.3Confident61 Ų6185.7 Ų85.737%0.37443%0.432SS..THydrogen-bonded Turntrans-85.4-21.1-178.565.90000113.3S167 I168 T169 Q174S167-T172 PolarHBondContact O-OG1 2.96Å; I168-T172 WeakPolarHBondContact CA-OG1 3.48Å; T169-T172 PolarHBondContact N-OG1 3.35Å; T169-T172 PolarHBondContact O-N 3.43Å; T169-T172 PolarHBondContact O-OG1 2.96Å; T169-T172 VanDerWaalsContact O-OG1 3.1Å; T172-Q174 PolarHBondContact O-N 2.86Å
173L85.9Confident87.4Confident9 Ų983.6 Ų83.65%0.04742%0.42CS..  trans-56.8139.2-179.9-76.8-177.8000112.2I168 T169 V176 R179 L182 F185 I295I168-L173 HydrophobicContact CG2-CD2 3.74Å; I168-L173 HydrophobicContact CG2-CG 4.32Å; T169-L173 PolarHBondContact O-N 2.77Å; L173-V176 HydrophobicContact CB-CG2 3.55Å; L173-V176 HydrophobicContact CD1-CG2 3.98Å; L173-V176 HydrophobicContact CG-CG2 4.43Å; L173-R179 PolarHBondContact O-NH1 3.03Å; L173-R179 PolarHBondContact O-NH2 2.81Å; L173-L182 HydrophobicContact CD1-CD1 3.86Å; L173-F185 HydrophobicContact CD1-CZ 3.72Å; L173-F185 HydrophobicContact CG-CZ 4.25Å; L173-I295 HydrophobicContact CD2-CG2 3.96Å
174Q80.9Confident87.4Confident149 Ų14988.1 Ų88.170%0.69643%0.425SS*.SBendtrans-96.2155.6175.1-59.7-174.49.900110.5T172 V176T172-Q174 PolarHBondContact O-N 2.86Å; Q174-V176 VanDerWaalsContact C-N 3.27Å; Q174-V176 PolarHBondContact O-N 3.43Å
175N77.4Confident87.4Confident163 Ų16386.7 Ų86.787%0.87242%0.415SS*.SBendtrans60.422.1175-55.9-43.6000116.9
176V78Confident87.4Confident41 Ų4179.6 Ų79.625%0.24839%0.386CS..  trans-84.1122.3175-178.60000110.8L173 Q174 R179 L182L173-V176 HydrophobicContact CB-CG2 3.55Å; L173-V176 HydrophobicContact CD1-CG2 3.98Å; L173-V176 HydrophobicContact CG-CG2 4.43Å; Q174-V176 VanDerWaalsContact C-N 3.27Å; Q174-V176 PolarHBondContact O-N 3.43Å; V176-R179 HydrophobicContact CB-CG 3.81Å; V176-R179 HydrophobicContact CG1-CB 4.31Å; V176-R179 HydrophobicContact CG1-CG 3.61Å; V176-L182 HydrophobicContact CG1-CD1 3.78Å; V176-L182 HydrophobicContact CG1-CG 4.27Å; V176-L182 HydrophobicContact CG2-CD1 4.23Å
177R72.7Confident87.4Confident249 Ų24978.8 Ų78.894%0.9438%0.382SS*.SBendtrans-74.2-40.1178.2-66.5-175.8-178.5-176.11.1113.2
178E78.1Confident87.5Confident111 Ų11181.8 Ų81.852%0.51939%0.385SS..  trans-130.469.2-172.8-66.1-175.7-17100112S180 Q181E178-S180 PolarHBondContact O-N 2.98Å; E178-S180 VanDerWaalsContact O-N 3.12Å; E178-Q181 PolarHBondContact O-N 2.85Å; E178-Q181 VanDerWaalsContact O-N 3.12Å; E178-Q181 PolarHBondContact OE2-NE2 2.82Å; E178-Q181 PolarHBondContact OE2-OE1 2.7Å
179R80.1Confident87.5Confident107 Ų10782.5 Ų82.540%0.40439%0.393SS..G310 helixtrans-56.9-29.9-176.1-68.7178.3-174.6-103.56.7114.6P170 E171 L173 V176 Q181 L182P170-R179 PolarHBondContact O-NH1 2.69Å; E171-R179 VanDerWaalsContact C-NH1 3.32Å; E171-R179 PolarHBondContact O-NH1 3.36Å; L173-R179 PolarHBondContact O-NH1 3.03Å; L173-R179 PolarHBondContact O-NH2 2.81Å; V176-R179 HydrophobicContact CB-CG 3.81Å; V176-R179 HydrophobicContact CG1-CB 4.31Å; V176-R179 HydrophobicContact CG1-CG 3.61Å; R179-Q181 PolarHBondContact O-N 3.18Å; R179-L182 WeakPolarHBondContact O-CB 3.31Å; R179-L182 PolarHBondContact O-N 2.98Å
180S77.1Confident87.7Confident115 Ų11583.8 Ų83.880%0.80440%0.397SS*.G310 helixtrans-68.9-16.2-17955.70000114.1E178E178-S180 PolarHBondContact O-N 2.98Å; E178-S180 VanDerWaalsContact O-N 3.12Å
181Q82.3Confident87.9Confident130 Ų13083.2 Ų83.261%0.60739%0.393SS*.G310 helixtrans-94.3-7176.9-66.4-177.515.600112.7E178 R179E178-Q181 PolarHBondContact O-N 2.85Å; E178-Q181 VanDerWaalsContact O-N 3.12Å; E178-Q181 PolarHBondContact OE2-NE2 2.82Å; E178-Q181 PolarHBondContact OE2-OE1 2.7Å; R179-Q181 PolarHBondContact O-N 3.18Å
182L85.7Confident88.2Confident36 Ų3679.8 Ų79.819%0.18838%0.379CS..SBendtrans-70136.3178.8-69.7177.5000110.5P170 L173 V176 R179P170-L182 HydrophobicContact CB-CB 4.21Å; P170-L182 HydrophobicContact CB-CD1 4.09Å; L173-L182 HydrophobicContact CD1-CD1 3.86Å; V176-L182 HydrophobicContact CG1-CD1 3.78Å; V176-L182 HydrophobicContact CG1-CG 4.27Å; V176-L182 HydrophobicContact CG2-CD1 4.23Å; R179-L182 WeakPolarHBondContact O-CB 3.31Å; R179-L182 PolarHBondContact O-N 2.98Å
183P90.8Very high88.5Confident16 Ų1677.7 Ų77.710%0.10437%0.368CS..PPolyproline II helixtrans-61.2155.4169.226.9-32.9000110.1P170 F185 D212 V213 L289P170-P183 WeakPolarHBondContact CG-O 3.47Å; P183-F185 WeakPolarHBondContact O-CD1 3.13Å; P183-F185 WeakPolarHBondContact O-CE1 3.45Å; P183-D212 HydrophobicContact CB-CB 4.24Å; P183-V213 HydrophobicContact CB-CB 4.46Å; P183-V213 HydrophobicContact CB-CG2 3.64Å; P183-V213 HydrophobicContact CG-CG2 4.02Å; P183-L289 HydrophobicContact CB-CD1 4.49Å; P183-L289 HydrophobicContact CG-CD1 3.43Å; P183-L289 VanDerWaalsContact CG-CD1 3.43Å
184R94.5Very high88.9Confident189 Ų18978.9 Ų78.971%0.71338%0.376SS*.PPolyproline II helixtrans-77.1134.3174.7-56.9175171.2170-0.7109.1S211 D212R184-S211 CarbonylContact O-C 3.45Å; R184-S211 WeakPolarHBondContact O-CA 3.49Å; R184-D212 WeakPolarHBondContact CB-OD2 3.41Å; R184-D212 WeakPolarHBondContact CG-OD2 3.26Å; R184-D212 PolarHBondContact N-OD2 2.96Å; R184-D212 VanDerWaalsContact N-OD2 3.16Å; R184-D212 PolarHBondContact O-N 2.84Å
185F95.8Very high89.5Confident9 Ų972.7 Ų72.74%0.03935%0.349CS..EExtended strand (participates in β ladder)trans-148.6158.6172.956.2-95.3000110I168 P170 L173 P183 I187 K210 I295I168-F185 HydrophobicContact CG2-CE2 4.1Å; P170-F185 HydrophobicContact CB-CE1 4.49Å; P170-F185 HydrophobicContact CB-CZ 4.48Å; P170-F185 HydrophobicContact CG-CD1 4.1Å; P170-F185 HydrophobicContact CG-CE1 3.71Å; P170-F185 HydrophobicContact CG-CE2 4.5Å; P170-F185 HydrophobicContact CG-CZ 3.92Å; L173-F185 HydrophobicContact CD1-CZ 3.72Å; L173-F185 HydrophobicContact CG-CZ 4.25Å; P183-F185 WeakPolarHBondContact O-CD1 3.13Å; P183-F185 WeakPolarHBondContact O-CE1 3.45Å; F185-I187 HydrophobicContact CD2-CD1 4.28Å; F185-I187 HydrophobicContact CD2-CG1 4.23Å; F185-K210 CarbonylContact C-O 3.55Å; F185-K210 WeakPolarHBondContact CA-O 3.04Å; F185-I295 HydrophobicContact CD1-CD1 3.59Å; F185-I295 HydrophobicContact CD2-CD1 3.82Å; F185-I295 HydrophobicContact CE1-CD1 3.57Å; F185-I295 HydrophobicContact CE1-CG1 4.01Å; F185-I295 HydrophobicContact CE2-CD1 3.79Å; F185-I295 HydrophobicContact CE2-CG1 4.32Å; F185-I295 HydrophobicContact CE2-CG2 4.01Å; F185-I295 HydrophobicContact CG-CD1 3.73Å; F185-I295 HydrophobicContact CZ-CD1 3.68Å; F185-I295 HydrophobicContact CZ-CG1 3.92Å; F185-I295 HydrophobicContact CZ-CG2 4.22Å
186L97.6Very high90.2Very high36 Ų3665.3 Ų65.319%0.18831%0.31CS..EExtended strand (participates in β ladder)trans-139.6111.6170.6174.561.7000107.7S167 T169 R188 D209 K210S167-L186 WeakPolarHBondContact OG-CD1 3.33Å; T169-L186 HydrophobicContact CG2-CD1 3.75Å; L186-R188 HydrophobicContact CD1-CG 3.98Å; L186-R188 HydrophobicContact CG-CG 4.36Å; L186-D209 HydrophobicContact CB-CB 4.3Å; L186-D209 HydrophobicContact CD2-CB 3.96Å; L186-D209 HydrophobicContact CG-CB 4.03Å; L186-D209 PolarHBondContact O-N 3.39Å; L186-K210 HydrophobicContact CB-CB 4.12Å; L186-K210 PolarHBondContact N-O 2.9Å; L186-K210 PolarHBondContact O-N 3.14Å
187I97.9Very high90.9Very high0 Ų064.1 Ų64.10%030%0.303CS..EExtended strand (participates in β ladder)trans-118.9125.1178.8-52.6178.9000106.8S167 I168 F185 V206 Q207 V208 V287 I295S167-I187 CarbonylContact C-O 3.47Å; S167-I187 WeakPolarHBondContact CA-O 3.19Å; I168-I187 HydrophobicContact CB-CB 4.26Å; I168-I187 HydrophobicContact CD1-CB 4.4Å; I168-I187 HydrophobicContact CD1-CG2 4.32Å; I168-I187 PolarHBondContact N-O 2.93Å; I168-I187 PolarHBondContact O-N 3.33Å; F185-I187 HydrophobicContact CD2-CD1 4.28Å; F185-I187 HydrophobicContact CD2-CG1 4.23Å; I187-V206 HydrophobicContact CG2-CG1 3.94Å; I187-Q207 CarbonylContact C-O 3.47Å; I187-Q207 WeakPolarHBondContact CA-O 3.38Å; I187-V208 HydrophobicContact CG1-CG2 4.45Å; I187-V287 HydrophobicContact CD1-CB 3.86Å; I187-V287 HydrophobicContact CD1-CG1 3.77Å; I187-V287 HydrophobicContact CD1-CG2 3.71Å; I187-I295 HydrophobicContact CD1-CD1 4.15Å; I187-I295 HydrophobicContact CD1-CG2 4.46Å
188R98Very high91.8Very high119 Ų11952.9 Ų52.945%0.44926%0.261SS..EExtended strand (participates in β ladder)trans-125.2160.8-178.7-74.2-172.3-79.6-178.7-0109.8F166 L186 Q207 D209F166-R188 WeakPolarHBondContact O-CA 3.44Å; L186-R188 HydrophobicContact CD1-CG 3.98Å; L186-R188 HydrophobicContact CG-CG 4.36Å; R188-Q207 PolarHBondContact N-O 2.77Å; R188-Q207 PolarHBondContact O-N 2.84Å; R188-Q207 VanDerWaalsContact O-O 3.12Å; R188-D209 IonicContact CZ-OD2 2.62Å; R188-D209 IonicContact NE-OD2 3.87Å; R188-D209 PolarHBondContact NE-OD2 2.77Å; R188-D209 VanDerWaalsContact NH2-CG 3.35Å; R188-D209 IonicContact NH2-OD1 2.79Å; R188-D209 IonicContact NH2-OD2 3.02Å; R188-D209 PolarHBondContact NH2-OD2 3.46Å
189G97.7Very high92.4Very high16 Ų1652 Ų5217%0.16527%0.267CS..EExtended strand (participates in β ladder)trans173.2-171.2177.900000112.4K165 F166 E205K165-G189 WeakPolarHBondContact CA-O 3.43Å; F166-G189 VanDerWaalsContact CE1-C 3.43Å; F166-G189 VanDerWaalsContact CZ-CA 3.48Å; F166-G189 PolarHBondContact N-O 2.77Å; F166-G189 PolarHBondContact O-N 2.95Å; F166-G189 VanDerWaalsContact O-N 3.12Å; G189-E205 CarbonylContact C-O 3.52Å; G189-E205 WeakPolarHBondContact CA-O 3.49Å
190H98.1Very high93.1Very high53 Ų5352.3 Ų52.325%0.24527%0.273CS..EExtended strand (participates in β ladder)trans-151.6154.117266.4-69.1000111.3V164 K165 D192 G204 E205V164-H190 CarbonylContact O-C 3.53Å; V164-H190 WeakPolarHBondContact O-CA 3.33Å; V164-H190 VanDerWaalsContact O-CB 3.31Å; V164-H190 WeakPolarHBondContact O-CB 3.49Å; K165-H190 HydrophobicContact CG-CB 4.04Å; H190-D192 IonicContact CD2-OD1 2.84Å; H190-D192 PolarHBondContact CD2-OD1 2.9Å; H190-D192 IonicContact NE2-OD1 2.71Å; H190-D192 PolarHBondContact NE2-OD1 2.8Å; H190-G204 CarbonylContact O-C 3.57Å; H190-G204 WeakPolarHBondContact O-CA 3.36Å; H190-E205 IonicContact CE1-OE2 3Å; H190-E205 PolarHBondContact N-O 3.44Å; H190-E205 PolarHBondContact O-N 2.87Å
191L98.1Very high94Very high0 Ų049.1 Ų49.10%025%0.25CC..EExtended strand (participates in β ladder)trans-105137.6160-53.7174.1000107.6P163 V164 F166 A193 L202 V259 I283 F299P163-L191 VanDerWaalsContact CA-O 3.31Å; P163-L191 WeakPolarHBondContact CA-O 3.32Å; V164-L191 HydrophobicContact CG1-CB 3.81Å; V164-L191 HydrophobicContact CG1-CD1 4.08Å; V164-L191 HydrophobicContact CG1-CG 4.13Å; V164-L191 PolarHBondContact N-O 2.8Å; V164-L191 PolarHBondContact O-N 2.9Å; F166-L191 HydrophobicContact CE1-CG 4.44Å; L191-A193 PolarHBondContact O-N 3.4Å; L191-L202 HydrophobicContact CD2-CD2 4.36Å; L191-V259 HydrophobicContact CD2-CG1 4.38Å; L191-I283 HydrophobicContact CD1-CG2 3.67Å; L191-F299 HydrophobicContact CD1-CB 4.01Å; L191-F299 HydrophobicContact CD1-CD1 4.42Å; L191-F299 HydrophobicContact CD1-CD2 3.96Å; L191-F299 HydrophobicContact CD1-CG 3.86Å
192D96.9Very high94.7Very high66 Ų6643 Ų4335%0.35322%0.221SC..SBendtrans-67.1-27.3-178.4-70.3-28.6000112.3P163 H190 T203P163-D192 WeakPolarHBondContact CA-O 3.39Å; P163-D192 WeakPolarHBondContact CB-O 3.46Å; P163-D192 WeakPolarHBondContact CG-O 3.41Å; H190-D192 IonicContact CD2-OD1 2.84Å; H190-D192 PolarHBondContact CD2-OD1 2.9Å; H190-D192 IonicContact NE2-OD1 2.71Å; H190-D192 PolarHBondContact NE2-OD1 2.8Å; D192-T203 PolarHBondContact N-O 2.84Å; D192-T203 WeakPolarHBondContact OD2-CB 3.2Å; D192-T203 PolarHBondContact OD2-OG1 2.88Å
193A94.8Very high95.3Very high17 Ų1743.5 Ų43.514%0.1423%0.226CC..  trans-155144.8175.400000111.9P161 T162 L191 C196P161-A193 HydrophobicContact CB-CB 4.21Å; T162-A193 CarbonylContact O-C 3.53Å; T162-A193 WeakPolarHBondContact O-CA 3.3Å; L191-A193 PolarHBondContact O-N 3.4Å; A193-C196 PolarHBondContact O-SG 2.87Å
194T94Very high95.6Very high35 Ų3543 Ų4322%0.21522%0.224CC..SBendtrans-99.2-19.5161.256.40000112.3T162 V164 L301 K302T162-T194 WeakPolarHBondContact CB-OG1 3.12Å; T162-T194 PolarHBondContact O-N 2.88Å; T162-T194 PolarHBondContact O-OG1 2.84Å; T162-T194 PolarHBondContact OG1-N 2.81Å; T162-T194 PolarHBondContact OG1-OG1 3.34Å; V164-T194 HydrophobicContact CB-CG2 4.15Å; V164-T194 HydrophobicContact CG1-CG2 3.55Å; T194-L301 CarbonylContact O-C 3.45Å; T194-L301 WeakPolarHBondContact O-CA 3.38Å; T194-K302 PolarHBondContact O-N 3.35Å
195S93.9Very high95.8Very high18 Ų1838 Ų3813%0.12621%0.208CC..EExtended strand (participates in β ladder)trans-93.8102.7165.7-166.10000109.9T162 K302T162-S195 PolarHBondContact OG1-N 3.35Å; S195-K302 CarbonylContact C-O 3.41Å; S195-K302 WeakPolarHBondContact CA-O 3.18Å
196C92.6Very high95.9Very high9 Ų937.5 Ų37.56%0.06121%0.206CC..EExtended strand (participates in β ladder)trans-112.3144.2-168.9-560000112.5A193 F263 K302 L303 C304A193-C196 PolarHBondContact O-SG 2.87Å; C196-F263 HydrophobicContact CB-CE2 3.8Å; C196-F263 HydrophobicContact CB-CZ 3.89Å; C196-K302 PolarHBondContact N-O 3.4Å; C196-L303 HydrophobicContact CB-CD2 3.83Å; C196-L303 CarbonylContact O-C 3.46Å; C196-L303 WeakPolarHBondContact O-CA 3.44Å; C196-C304 PolarHBondContact O-N 2.91Å
197V92.3Very high96Very high16 Ų1638.2 Ų38.210%0.09721%0.209CC..EExtended strand (participates in β ladder)trans-81.2124.2166.1174.80000108.5I159 S199 Q200 C304 V306I159-V197 HydrophobicContact CD1-CG2 3.47Å; I159-V197 VanDerWaalsContact CD1-CG2 3.47Å; V197-S199 VanDerWaalsContact CG1-OG 3.29Å; V197-S199 WeakPolarHBondContact CG1-OG 3.34Å; V197-S199 PolarHBondContact O-N 2.79Å; V197-S199 VanDerWaalsContact O-N 3.11Å; V197-Q200 HydrophobicContact CB-CB 4.2Å; V197-Q200 HydrophobicContact CB-CG 4.1Å; V197-Q200 HydrophobicContact CG1-CG 4.11Å; V197-Q200 PolarHBondContact O-N 3.41Å; V197-Q200 VanDerWaalsContact O-O 3.07Å; V197-C304 WeakPolarHBondContact CA-O 3.49Å; V197-V306 HydrophobicContact CB-CG2 4.43Å; V197-V306 HydrophobicContact CG1-CG2 3.7Å; V197-V306 HydrophobicContact CG2-CG1 4.33Å; V197-V306 HydrophobicContact CG2-CG2 3.77Å
198I91.6Very high96Very high13 Ų1338.3 Ų38.37%0.06721%0.209CC..THydrogen-bonded Turntrans-57.8-31.7-175.6-69.4163.2000113.2Q200 C269 P270 L303 C304I198-Q200 PolarHBondContact O-N 2.84Å; I198-C269 WeakPolarHBondContact CD1-O 3.27Å; I198-P270 HydrophobicContact CD1-CB 4.22Å; I198-P270 VanDerWaalsContact CD1-CD 3.43Å; I198-P270 HydrophobicContact CD1-CG 3.64Å; I198-L303 HydrophobicContact CD1-CB 4.05Å; I198-L303 HydrophobicContact CG1-CB 3.72Å; I198-L303 HydrophobicContact CG1-CD1 4.24Å; I198-L303 HydrophobicContact CG1-CG 4.45Å; I198-C304 WeakPolarHBondContact CG1-O 3.46Å; I198-C304 PolarHBondContact N-O 3.23Å
199S91.2Very high96Very high92 Ų9233.9 Ų33.964%0.64319%0.194SC*.THydrogen-bonded Turntrans-80.1-4.7178.860.60000113.9V197V197-S199 VanDerWaalsContact CG1-OG 3.29Å; V197-S199 WeakPolarHBondContact CG1-OG 3.34Å; V197-S199 PolarHBondContact O-N 2.79Å; V197-S199 VanDerWaalsContact O-N 3.11Å
200Q94Very high95.9Very high114 Ų11439.9 Ų39.953%0.53322%0.216SC..SBendtrans-111148.3178.3-65.4-177.8-8.900109.9V197 I198 F263V197-Q200 HydrophobicContact CB-CB 4.2Å; V197-Q200 HydrophobicContact CB-CG 4.1Å; V197-Q200 HydrophobicContact CG1-CG 4.11Å; V197-Q200 PolarHBondContact O-N 3.41Å; V197-Q200 VanDerWaalsContact O-O 3.07Å; I198-Q200 PolarHBondContact O-N 2.84Å; Q200-F263 WeakPolarHBondContact O-CD2 3.31Å; Q200-F263 VanDerWaalsContact O-CE2 3.31Å; Q200-F263 WeakPolarHBondContact O-CE2 3.47Å
201P96.3Very high95.9Very high47 Ų4738.2 Ų38.231%0.30521%0.21SC..  trans-68.9149.8176.629.9-34.6000111.3T203 H260 M261 V262P201-T203 HydrophobicContact CB-CG2 4.46Å; P201-T203 HydrophobicContact CG-CG2 4.17Å; P201-H260 WeakPolarHBondContact CG-NE2 3.25Å; P201-M261 CarbonylContact C-O 3.48Å; P201-M261 WeakPolarHBondContact CA-O 3.32Å; P201-V262 HydrophobicContact CB-CG2 4.26Å
202L96.9Very high95.8Very high2 Ų243.4 Ų43.41%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-68.8129159.7178.271.7000108.5L191 V259 H260 M261 F263 I283 L301L191-L202 HydrophobicContact CD2-CD2 4.36Å; L202-V259 HydrophobicContact CD2-CG1 4.41Å; L202-V259 HydrophobicContact CG-CG1 4.33Å; L202-H260 CarbonylContact O-C 3.58Å; L202-H260 VanDerWaalsContact O-CA 3.29Å; L202-H260 WeakPolarHBondContact O-CA 3.12Å; L202-M261 HydrophobicContact CB-CB 4.32Å; L202-M261 PolarHBondContact N-O 2.75Å; L202-M261 PolarHBondContact O-N 2.62Å; L202-F263 HydrophobicContact CB-CE1 4.43Å; L202-F263 HydrophobicContact CB-CE2 4.47Å; L202-F263 HydrophobicContact CB-CZ 3.87Å; L202-I283 HydrophobicContact CD2-CB 4.14Å; L202-I283 HydrophobicContact CD2-CD1 3.96Å; L202-I283 HydrophobicContact CD2-CG1 3.74Å; L202-I283 HydrophobicContact CD2-CG2 4.07Å; L202-L301 HydrophobicContact CD1-CD2 4.46Å
203T98.1Very high95.8Very high46 Ų4641.4 Ų41.428%0.28223%0.228SC..EExtended strand (participates in β ladder)trans-126.616118057.50000112.3D192 P201 V259D192-T203 PolarHBondContact N-O 2.84Å; D192-T203 WeakPolarHBondContact OD2-CB 3.2Å; D192-T203 PolarHBondContact OD2-OG1 2.88Å; P201-T203 HydrophobicContact CB-CG2 4.46Å; P201-T203 HydrophobicContact CG-CG2 4.17Å; T203-V259 VanDerWaalsContact CA-O 3.3Å; T203-V259 WeakPolarHBondContact CA-O 3.19Å
204G98.1Very high95.9Very high6 Ų642.9 Ų42.96%0.06224%0.236CC..EExtended strand (participates in β ladder)trans157.8-161.5-178.100000111.8H190 V259H190-G204 CarbonylContact O-C 3.57Å; H190-G204 WeakPolarHBondContact O-CA 3.36Å; G204-V259 PolarHBondContact N-O 2.66Å; G204-V259 PolarHBondContact O-N 2.87Å
205E98.3Very high96.1Very high83 Ų8341.2 Ų41.239%0.38823%0.226SC..EExtended strand (participates in β ladder)trans-144.3144.8178.7-64.4179.7161.200111.5G189 H190 I257G189-E205 CarbonylContact C-O 3.52Å; G189-E205 WeakPolarHBondContact CA-O 3.49Å; H190-E205 IonicContact CE1-OE2 3Å; H190-E205 PolarHBondContact N-O 3.44Å; H190-E205 PolarHBondContact O-N 2.87Å; E205-I257 CarbonylContact C-O 3.49Å; E205-I257 WeakPolarHBondContact CA-O 3.49Å
206V98.5Very high96.3Very high0 Ų045 Ų450%024%0.24CC..EExtended strand (participates in β ladder)trans-119.9138169.2-1780000108.2F166 I187 I218 I246 I257 V259 V285F166-V206 HydrophobicContact CZ-CG2 4.1Å; I187-V206 HydrophobicContact CG2-CG1 3.94Å; V206-I218 HydrophobicContact CG1-CD1 4.44Å; V206-I218 HydrophobicContact CG1-CG2 4.24Å; V206-I246 HydrophobicContact CB-CD1 4.43Å; V206-I246 HydrophobicContact CG2-CD1 4.06Å; V206-I257 PolarHBondContact N-O 2.86Å; V206-I257 WeakPolarHBondContact O-CA 3.39Å; V206-I257 VanDerWaalsContact O-CB 3.31Å; V206-I257 WeakPolarHBondContact O-CB 3.41Å; V206-I257 PolarHBondContact O-N 3.29Å; V206-V259 HydrophobicContact CG2-CG2 3.84Å; V206-V285 HydrophobicContact CG1-CG1 4.41Å; V206-V285 HydrophobicContact CG2-CG1 4.09Å
207Q98.3Very high96.6Very high51 Ų5144.9 Ų44.924%0.23824%0.239CC..EExtended strand (participates in β ladder)trans-139.1130.5-179.8177.7173.9-38.500109.6I187 R188 D209I187-Q207 CarbonylContact C-O 3.47Å; I187-Q207 WeakPolarHBondContact CA-O 3.38Å; R188-Q207 PolarHBondContact N-O 2.77Å; R188-Q207 PolarHBondContact O-N 2.84Å; R188-Q207 VanDerWaalsContact O-O 3.12Å; Q207-D209 PolarHBondContact NE2-OD1 2.81Å
208V98.3Very high96.9Very high1 Ų144.1 Ų44.11%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-92.4118.6170.2-179.30000107.4I187 I215 I218 V251 H253 G254I187-V208 HydrophobicContact CG1-CG2 4.45Å; V208-I215 HydrophobicContact CG1-CD1 4.26Å; V208-I215 HydrophobicContact CG1-CG1 4.26Å; V208-I215 HydrophobicContact CG2-CD1 4.34Å; V208-I215 HydrophobicContact CG2-CG1 4.16Å; V208-I218 HydrophobicContact CG2-CD1 3.86Å; V208-V251 HydrophobicContact CB-CG2 3.96Å; V208-V251 HydrophobicContact CG2-CG2 3.7Å; V208-H253 CarbonylContact O-C 3.52Å; V208-H253 WeakPolarHBondContact O-CA 3.49Å; V208-G254 PolarHBondContact O-N 3.28Å
209D97.7Very high97.2Very high27 Ų2744.9 Ų44.914%0.14424%0.238CC..EExtended strand (participates in β ladder)trans-96.6-36.8177.4-72.7-46.3000112.7L186 R188 Q207L186-D209 HydrophobicContact CB-CB 4.3Å; L186-D209 HydrophobicContact CD2-CB 3.96Å; L186-D209 HydrophobicContact CG-CB 4.03Å; L186-D209 PolarHBondContact O-N 3.39Å; R188-D209 IonicContact CZ-OD2 2.62Å; R188-D209 IonicContact NE-OD2 3.87Å; R188-D209 PolarHBondContact NE-OD2 2.77Å; R188-D209 VanDerWaalsContact NH2-CG 3.35Å; R188-D209 IonicContact NH2-OD1 2.79Å; R188-D209 IonicContact NH2-OD2 3.02Å; R188-D209 PolarHBondContact NH2-OD2 3.46Å; Q207-D209 PolarHBondContact NE2-OD1 2.81Å
210K97Very high97.5Very high141 Ų14140.5 Ų40.561%0.61321%0.207SC*.EExtended strand (participates in β ladder)trans-145.9141.1178.8-60.6-175.5-179.91800108.7F185 L186F185-K210 CarbonylContact C-O 3.55Å; F185-K210 WeakPolarHBondContact CA-O 3.04Å; L186-K210 HydrophobicContact CB-CB 4.12Å; L186-K210 PolarHBondContact N-O 2.9Å; L186-K210 PolarHBondContact O-N 3.14Å
211S96.9Very high97.7Very high18 Ų1837 Ų3713%0.12619%0.191CC..EExtended strand (participates in β ladder)trans-153.3128.4167.1-161.50000108R184 V213R184-S211 CarbonylContact O-C 3.45Å; R184-S211 WeakPolarHBondContact O-CA 3.49Å; S211-V213 VanDerWaalsContact C-N 3.26Å; S211-V213 VanDerWaalsContact CB-O 3.3Å; S211-V213 WeakPolarHBondContact CB-O 2.95Å; S211-V213 PolarHBondContact OG-O 2.78Å
212D96.1Very high97.8Very high109 Ų10934.7 Ų34.758%0.58318%0.176SC*.SBendtrans-73.5-24.7173.8-74-8.3000111.2P183 R184P183-D212 HydrophobicContact CB-CB 4.24Å; R184-D212 WeakPolarHBondContact CB-OD2 3.41Å; R184-D212 WeakPolarHBondContact CG-OD2 3.26Å; R184-D212 PolarHBondContact N-OD2 2.96Å; R184-D212 VanDerWaalsContact N-OD2 3.16Å; R184-D212 PolarHBondContact O-N 2.84Å
213V96.9Very high97.9Very high25 Ų2535.1 Ų35.115%0.15218%0.179CC..SBendtrans-115.3133.4177.5-179.90000108.7P183 S211 L289 Q290 D291P183-V213 HydrophobicContact CB-CB 4.46Å; P183-V213 HydrophobicContact CB-CG2 3.64Å; P183-V213 HydrophobicContact CG-CG2 4.02Å; S211-V213 VanDerWaalsContact C-N 3.26Å; S211-V213 VanDerWaalsContact CB-O 3.3Å; S211-V213 WeakPolarHBondContact CB-O 2.95Å; S211-V213 PolarHBondContact OG-O 2.78Å; V213-L289 HydrophobicContact CB-CB 4.3Å; V213-L289 HydrophobicContact CB-CD1 4.11Å; V213-L289 HydrophobicContact CG1-CB 3.89Å; V213-Q290 HydrophobicContact CG1-CB 4.39Å; V213-D291 HydrophobicContact CG1-CB 4.14Å
214P97.6Very high97.8Very high47 Ų4733.5 Ų33.531%0.30517%0.167SC..  trans-56.6146.1178.8-26.635.3000113D250 Q290P214-D250 VanDerWaalsContact CA-OD1 3.3Å; P214-D250 WeakPolarHBondContact CA-OD1 3.34Å; P214-D250 HydrophobicContact CB-CB 3.96Å; P214-Q290 HydrophobicContact CB-CG 4.04Å; P214-Q290 WeakPolarHBondContact O-CG 3.14Å; P214-Q290 PolarHBondContact O-N 3.5Å
215I97.9Very high97.7Very high0 Ų033.2 Ų33.20%016%0.164CC..EExtended strand (participates in β ladder)trans-72.3140.3175.7-52-55.4000109.7V208 I218 G249 D250 V251 V287 L289V208-I215 HydrophobicContact CG1-CD1 4.26Å; V208-I215 HydrophobicContact CG1-CG1 4.26Å; V208-I215 HydrophobicContact CG2-CD1 4.34Å; V208-I215 HydrophobicContact CG2-CG1 4.16Å; I215-I218 HydrophobicContact CG2-CD1 4.44Å; I215-I218 HydrophobicContact CG2-CG1 3.86Å; I215-G249 CarbonylContact O-C 3.56Å; I215-D250 PolarHBondContact N-OD1 2.86Å; I215-D250 WeakPolarHBondContact O-CA 3.41Å; I215-D250 PolarHBondContact O-N 3.15Å; I215-D250 VanDerWaalsContact O-N 3.15Å; I215-V251 HydrophobicContact CB-CG2 4.46Å; I215-V251 HydrophobicContact CG1-CG2 4.1Å; I215-V287 HydrophobicContact CD1-CG1 3.81Å; I215-V287 HydrophobicContact CG2-CG1 4.17Å; I215-L289 HydrophobicContact CD1-CD2 3.42Å; I215-L289 VanDerWaalsContact CD1-CD2 3.42Å
216K98.2Very high97.5Very high99 Ų9929.2 Ų29.243%0.4315%0.146SC..EExtended strand (participates in β ladder)trans-97.3-51.8172.6-174.1-175.3-172.2176.60110.4G249 I288 Q290 D292K216-G249 PolarHBondContact O-N 3.05Å; K216-I288 WeakPolarHBondContact CA-O 3.45Å; K216-I288 HydrophobicContact CB-CB 4.38Å; K216-I288 HydrophobicContact CB-CG2 4.31Å; K216-I288 VanDerWaalsContact CB-O 3.27Å; K216-I288 WeakPolarHBondContact CB-O 3.48Å; K216-I288 HydrophobicContact CD-CG2 3.81Å; K216-I288 PolarHBondContact N-O 2.84Å; K216-Q290 HydrophobicContact CB-CG 4.24Å; K216-D292 IonicContact NZ-OD1 2.92Å; K216-D292 PolarHBondContact NZ-OD1 3.49Å
217S98.4Very high97.2Very high6 Ų630 Ų304%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-152.2157.3175.661.60000111.2E219 A247 I288S217-E219 PolarHBondContact OG-OE1 2.86Å; S217-A247 WeakPolarHBondContact CA-O 3.3Å; S217-I288 PolarHBondContact N-O 2.84Å; S217-I288 PolarHBondContact O-N 3.22Å; S217-I288 WeakPolarHBondContact OG-CD1 3.13Å
218I98.4Very high96.7Very high0 Ų027.7 Ų27.70%014%0.14CC..EExtended strand (participates in β ladder)trans-122125.5165.1-52.5-175.8000107.3V206 V208 I215 I246 A247 V251 I257 V286 V287V206-I218 HydrophobicContact CG1-CD1 4.44Å; V206-I218 HydrophobicContact CG1-CG2 4.24Å; V208-I218 HydrophobicContact CG2-CD1 3.86Å; I215-I218 HydrophobicContact CG2-CD1 4.44Å; I215-I218 HydrophobicContact CG2-CG1 3.86Å; I218-I246 HydrophobicContact CB-CG1 4.05Å; I218-I246 HydrophobicContact CG2-CD1 3.84Å; I218-I246 HydrophobicContact CG2-CG1 3.76Å; I218-I246 WeakPolarHBondContact O-CG1 3.26Å; I218-I246 PolarHBondContact O-N 2.82Å; I218-A247 HydrophobicContact CB-CB 4.1Å; I218-A247 HydrophobicContact CD1-CB 4.31Å; I218-A247 HydrophobicContact CG1-CB 4.19Å; I218-A247 PolarHBondContact N-O 2.96Å; I218-A247 PolarHBondContact O-N 3.41Å; I218-V251 HydrophobicContact CD1-CG1 4.47Å; I218-V251 HydrophobicContact CD1-CG2 4.24Å; I218-I257 HydrophobicContact CD1-CD1 3.65Å; I218-V286 CarbonylContact C-O 3.57Å; I218-V286 WeakPolarHBondContact CA-O 3.27Å; I218-V287 HydrophobicContact CG1-CG1 4.4Å; I218-V287 HydrophobicContact CG1-CG2 4.16Å; I218-V287 HydrophobicContact CG2-CG2 4.01Å
219E98.4Very high96Very high29 Ų2928 Ų2814%0.13614%0.143CC..EExtended strand (participates in β ladder)trans-128.4152.2-172.2-66.2169.8-148.400111.1S217 N243 I244 Q245 V286 I288S217-E219 PolarHBondContact OG-OE1 2.86Å; E219-N243 PolarHBondContact OE2-ND2 3.5Å; E219-I244 CarbonylContact C-O 3.58Å; E219-I244 VanDerWaalsContact CA-O 3.28Å; E219-I244 WeakPolarHBondContact CA-O 3.4Å; E219-Q245 HydrophobicContact CG-CB 4.18Å; E219-Q245 HydrophobicContact CG-CG 4.22Å; E219-V286 HydrophobicContact CB-CB 4.23Å; E219-V286 PolarHBondContact N-O 3.31Å; E219-V286 PolarHBondContact O-N 3.2Å; E219-I288 WeakPolarHBondContact OE1-CD1 3.18Å
220L98.3Very high95Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-119.2122.6172-63.1176.8000108.6N243 I244 I246 V259 M261 I283 N284 V285L220-N243 WeakPolarHBondContact O-CA 3.08Å; L220-I244 HydrophobicContact CB-CD1 4.46Å; L220-I244 HydrophobicContact CB-CG1 3.87Å; L220-I244 HydrophobicContact CD1-CD1 4.19Å; L220-I244 HydrophobicContact CD1-CG1 4.36Å; L220-I244 PolarHBondContact N-O 2.95Å; L220-I244 PolarHBondContact O-N 2.92Å; L220-I246 HydrophobicContact CD1-CD1 4.23Å; L220-I246 HydrophobicContact CD1-CG2 3.73Å; L220-I246 HydrophobicContact CD2-CD1 4.41Å; L220-I246 HydrophobicContact CG-CD1 4.11Å; L220-I246 HydrophobicContact CG-CG2 4.03Å; L220-V259 HydrophobicContact CD1-CB 4.25Å; L220-V259 HydrophobicContact CD1-CG1 3.58Å; L220-V259 HydrophobicContact CD1-CG2 4.07Å; L220-M261 HydrophobicContact CB-CE 3.44Å; L220-M261 VanDerWaalsContact CB-CE 3.44Å; L220-M261 HydrophobicContact CD1-CE 4.46Å; L220-M261 WeakPolarHBondContact O-CE 3.29Å; L220-I283 HydrophobicContact CB-CD1 4.28Å; L220-N284 WeakPolarHBondContact CA-O 3.31Å; L220-V285 HydrophobicContact CD2-CB 4.4Å; L220-V285 HydrophobicContact CD2-CG2 3.79Å
221Q98.2Very high93.8Very high39 Ų3926.4 Ų26.418%0.18216%0.158CC..EExtended strand (participates in β ladder)trans-111.1116.8175.9-61.9171.4-37.700109.8V223 E240 Q242 N243 I283 N284 V286Q221-V223 HydrophobicContact CB-CG2 4.32Å; Q221-V223 PolarHBondContact O-N 3.26Å; Q221-E240 HydrophobicContact CB-CG 4.33Å; Q221-E240 VanDerWaalsContact CD-OE2 3.29Å; Q221-E240 PolarHBondContact NE2-OE2 2.83Å; Q221-Q242 CarbonylContact C-O 3.52Å; Q221-Q242 WeakPolarHBondContact CA-O 3.28Å; Q221-N243 HydrophobicContact CG-CB 4.31Å; Q221-N243 WeakPolarHBondContact CG-ND2 3.35Å; Q221-I283 WeakPolarHBondContact O-CA 3.48Å; Q221-I283 WeakPolarHBondContact O-CD1 3.5Å; Q221-N284 HydrophobicContact CB-CB 4.16Å; Q221-N284 PolarHBondContact N-O 2.99Å; Q221-N284 PolarHBondContact O-N 3.48Å; Q221-V286 HydrophobicContact CG-CG2 4.12Å
222L97.9Very high92.7Very high0 Ų031.7 Ų31.70%018%0.181CC..EExtended strand (participates in β ladder)trans-80.5116.6166-176.164.3000108.2I241 Q242 M261 F263 P264 T268 I283 L301L222-I241 HydrophobicContact CB-CG1 4.1Å; L222-I241 HydrophobicContact CD2-CD1 3.5Å; L222-I241 VanDerWaalsContact CD2-CD1 3.5Å; L222-I241 HydrophobicContact CD2-CG1 3.82Å; L222-I241 HydrophobicContact CG-CD1 3.73Å; L222-I241 HydrophobicContact CG-CG1 3.7Å; L222-I241 VanDerWaalsContact O-CG1 3.26Å; L222-I241 WeakPolarHBondContact O-CG1 3.31Å; L222-I241 PolarHBondContact O-N 2.82Å; L222-Q242 HydrophobicContact CB-CB 4.12Å; L222-Q242 PolarHBondContact N-O 3Å; L222-Q242 PolarHBondContact O-N 2.87Å; L222-M261 HydrophobicContact CB-SD 3.84Å; L222-F263 HydrophobicContact CD1-CD1 4.28Å; L222-F263 HydrophobicContact CD1-CE1 4.11Å; L222-F263 HydrophobicContact CD2-CD1 3.9Å; L222-P264 HydrophobicContact CD2-CG 4.29Å; L222-T268 HydrophobicContact CD2-CG2 3.82Å; L222-I283 HydrophobicContact CB-CD1 4.37Å; L222-L301 HydrophobicContact CD1-CD1 4.11Å
223V97.6Very high91.8Very high11 Ų1127.5 Ų27.57%0.06716%0.164CC..EExtended strand (participates in β ladder)trans-110135179.8-179.50000108.6Q221 V225 A238 F281 E282Q221-V223 HydrophobicContact CB-CG2 4.32Å; Q221-V223 PolarHBondContact O-N 3.26Å; V223-V225 HydrophobicContact CG1-CG2 4.28Å; V223-A238 HydrophobicContact CG1-CB 3.88Å; V223-F281 CarbonylContact O-C 3.57Å; V223-F281 VanDerWaalsContact O-CA 3.32Å; V223-F281 WeakPolarHBondContact O-CA 3.44Å; V223-E282 HydrophobicContact CB-CB 4.38Å; V223-E282 PolarHBondContact N-O 2.82Å; V223-E282 PolarHBondContact O-N 2.88Å
224R96.4Very high91.1Very high11 Ų1132 Ų324%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-102.8129.4172.6-174.4179.580.7179.7-1.1108.8Y118 H119 E226 A238 T239 I241 V279 F281Y118-R224 WeakPolarHBondContact OH-CD 3.5Å; Y118-R224 PolarHBondContact OH-NE 2.8Å; Y118-R224 PolarHBondContact OH-NH1 2.8Å; H119-R224 PolarHBondContact O-NH1 2.92Å; R224-E226 HydrophobicContact CG-CG 4.24Å; R224-E226 IonicContact CZ-OE2 3.8Å; R224-E226 IonicContact NE-OE2 3.84Å; R224-E226 PolarHBondContact NE-OE2 2.86Å; R224-E226 IonicContact NH2-OE2 3.39Å; R224-E226 PolarHBondContact NH2-OE2 2.97Å; R224-A238 CarbonylContact O-C 3.04Å; R224-A238 WeakPolarHBondContact O-CA 3.41Å; R224-T239 PolarHBondContact N-O 3.45Å; R224-T239 PolarHBondContact O-N 2.93Å; R224-I241 HydrophobicContact CB-CD1 4.21Å; R224-I241 HydrophobicContact CB-CG1 4.38Å; R224-I241 HydrophobicContact CB-CG2 3.77Å; R224-V279 HydrophobicContact CG-CG1 4.49Å; R224-F281 HydrophobicContact CB-CD1 4.24Å; R224-F281 HydrophobicContact CB-CE1 4.11Å; R224-F281 HydrophobicContact CG-CD1 4.24Å; R224-F281 HydrophobicContact CG-CE1 3.76Å; R224-F281 HydrophobicContact CG-CZ 4.27Å
225V95.9Very high90.5Very high0 Ų030.4 Ų30.40%017%0.169CC..EExtended strand (participates in β ladder)trans-113.3115.7-179.8178.80000108.5V223 R236 D237 A238 E280 E282V223-V225 HydrophobicContact CG1-CG2 4.28Å; V225-R236 HydrophobicContact CG1-CG 3.87Å; V225-D237 WeakPolarHBondContact CA-O 3.32Å; V225-A238 HydrophobicContact CG2-CB 4.21Å; V225-E280 HydrophobicContact CB-CB 4.15Å; V225-E280 PolarHBondContact N-O 2.96Å; V225-E280 PolarHBondContact O-N 3.22Å; V225-E282 HydrophobicContact CG2-CG 4.12Å
226E94.5Very high90.1Very high0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-109.3127.1179.5-58.1-175.288.600109.3Y118 G120 V121 F122 V123 R224 R236 D237 K278Y118-E226 WeakPolarHBondContact CE1-OE1 3.34Å; Y118-E226 WeakPolarHBondContact OH-CG 3.36Å; Y118-E226 PolarHBondContact OH-OE1 2.77Å; G120-E226 VanDerWaalsContact CA-OE1 3.26Å; G120-E226 WeakPolarHBondContact CA-OE1 3.44Å; V121-E226 WeakPolarHBondContact CB-OE2 3.49Å; V121-E226 PolarHBondContact N-OE1 2.87Å; V121-E226 PolarHBondContact N-OE2 2.82Å; F122-E226 HydrophobicContact CB-CB 3.92Å; F122-E226 HydrophobicContact CG-CB 4.49Å; F122-E226 PolarHBondContact N-OE1 2.69Å; F122-E226 PolarHBondContact N-OE2 2.75Å; V123-E226 PolarHBondContact N-OE1 2.85Å; V123-E226 VanDerWaalsContact N-OE1 3.14Å; R224-E226 HydrophobicContact CG-CG 4.24Å; R224-E226 IonicContact CZ-OE2 3.8Å; R224-E226 IonicContact NE-OE2 3.84Å; R224-E226 PolarHBondContact NE-OE2 2.86Å; R224-E226 IonicContact NH2-OE2 3.39Å; R224-E226 PolarHBondContact NH2-OE2 2.97Å; E226-R236 CarbonylContact O-C 3.58Å; E226-R236 WeakPolarHBondContact O-CA 3.39Å; E226-D237 PolarHBondContact N-O 2.81Å; E226-D237 PolarHBondContact O-N 3.35Å; E226-K278 WeakPolarHBondContact CA-O 3.03Å
227T91.9Very high89.7Confident17 Ų1734.9 Ų34.910%0.10419%0.187CC..EExtended strand (participates in β ladder)trans-114.8129.7171.4-56.70000108.2Y234 A235 F277 K278T227-Y234 HydrophobicContact CG2-CD1 3.95Å; T227-Y234 HydrophobicContact CG2-CG 4.37Å; T227-A235 CarbonylContact C-O 3.53Å; T227-A235 VanDerWaalsContact CA-O 3.25Å; T227-A235 WeakPolarHBondContact CA-O 3.39Å; T227-F277 CarbonylContact O-C 3.56Å; T227-F277 WeakPolarHBondContact O-CA 3.48Å; T227-F277 WeakPolarHBondContact O-CB 3.1Å; T227-K278 PolarHBondContact N-O 2.78Å; T227-K278 PolarHBondContact O-N 2.93Å
228C89Confident89.4Confident1 Ų137.1 Ų37.11%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-136.3144.5170.672.40000109.8L58 F122 V123 A235 N276 F277L58-C228 HydrophobicContact CB-CB 4.43Å; L58-C228 HydrophobicContact CD2-CB 4.14Å; F122-C228 HydrophobicContact CB-CB 4.33Å; F122-C228 VanDerWaalsContact CD2-SG 3.59Å; V123-C228 HydrophobicContact CG2-CB 4.42Å; C228-A235 PolarHBondContact N-O 2.81Å; C228-A235 PolarHBondContact O-N 3.12Å; C228-N276 CarbonylContact C-O 3.59Å; C228-N276 WeakPolarHBondContact CA-O 3.4Å; C228-F277 HydrophobicContact CB-CB 4.45Å
229G82.3Confident89.2Confident7 Ų738.9 Ų38.97%0.07222%0.217CC..EExtended strand (participates in β ladder)trans-177.8-178.9-175.600000114G233 N276G229-G233 CarbonylContact C-O 3.47Å; G229-G233 WeakPolarHBondContact CA-O 3.23Å; G229-N276 PolarHBondContact N-O 2.94Å; G229-N276 VanDerWaalsContact O-O 3.11Å
230C76.6Confident89Confident25 Ų2542.1 Ų42.117%0.16923%0.232CC..EExtended strand (participates in β ladder)trans-139.4-171.1174.967.20000109.4E232 G233C230-E232 PolarHBondContact O-N 2.86Å; C230-G233 PolarHBondContact N-O 2.9Å; C230-G233 PolarHBondContact O-N 3.48Å; C230-G233 VanDerWaalsContact O-O 3.11Å
231A73.3Confident88.8Confident110 Ų11043.6 Ų43.691%0.90924%0.24SC*.THydrogen-bonded Turntrans-56.5-23.7178.900000113.9
232E72Confident88.8Confident129 Ų12944 Ų4460%0.60324%0.242SC*.THydrogen-bonded Turntrans-83-16.6-177.9-61.7167.9173.600112.6F71 S74 C230F71-E232 HydrophobicContact CD1-CB 4.21Å; F71-E232 HydrophobicContact CE1-CB 3.55Å; F71-E232 WeakPolarHBondContact CE1-O 3.2Å; F71-E232 HydrophobicContact CZ-CB 4.37Å; S74-E232 PolarHBondContact OG-OE2 2.88Å; C230-E232 PolarHBondContact O-N 2.86Å
233G77Confident88.7Confident22 Ų2246.9 Ų46.923%0.22726%0.257CS..EExtended strand (participates in β ladder)trans156.1167.6-178.200000114.3G229 C230G229-G233 CarbonylContact C-O 3.47Å; G229-G233 WeakPolarHBondContact CA-O 3.23Å; C230-G233 PolarHBondContact N-O 2.9Å; C230-G233 PolarHBondContact O-N 3.48Å; C230-G233 VanDerWaalsContact O-O 3.11Å
234Y83.3Confident88.7Confident120 Ų12048.5 Ų48.547%0.47126%0.264SS..EExtended strand (participates in β ladder)trans-124.3141.5178.1-65.5-93.4000110.9T227 T275T227-Y234 HydrophobicContact CG2-CD1 3.95Å; T227-Y234 HydrophobicContact CG2-CG 4.37Å; Y234-T275 VanDerWaalsContact CE1-O 3.29Å; Y234-T275 WeakPolarHBondContact CE1-O 3.28Å; Y234-T275 PolarHBondContact OH-O 2.79Å
235A85.2Confident88.8Confident12 Ų1252.4 Ų52.410%0.09928%0.283CS..EExtended strand (participates in β ladder)trans-106139.3166.700000109.3L60 F122 T227 C228L60-A235 HydrophobicContact CD2-CB 3.33Å; F122-A235 HydrophobicContact CD2-CB 4.38Å; F122-A235 HydrophobicContact CE2-CB 3.73Å; T227-A235 CarbonylContact C-O 3.53Å; T227-A235 VanDerWaalsContact CA-O 3.25Å; T227-A235 WeakPolarHBondContact CA-O 3.39Å; C228-A235 PolarHBondContact N-O 2.81Å; C228-A235 PolarHBondContact O-N 3.12Å
236R89.1Confident88.9Confident148 Ų14854.3 Ų54.356%0.55829%0.293SS*.EExtended strand (participates in β ladder)trans-125.6132.7177.5-179.8-179.3-178.9-95.22108.8V225 E226 E282V225-R236 HydrophobicContact CG1-CG 3.87Å; E226-R236 CarbonylContact O-C 3.58Å; E226-R236 WeakPolarHBondContact O-CA 3.39Å; R236-E282 IonicContact NH2-OE1 2.66Å; R236-E282 PolarHBondContact NH2-OE1 3.49Å
237D89.8Confident89.1Confident45 Ų4555 Ų5524%0.24130%0.299CS..EExtended strand (participates in β ladder)trans-135.4141.6174.8-167.335.6000111.1F122 V225 E226F122-D237 HydrophobicContact CD1-CB 4.42Å; F122-D237 HydrophobicContact CD2-CB 4.19Å; F122-D237 HydrophobicContact CE1-CB 3.82Å; F122-D237 HydrophobicContact CE2-CB 3.61Å; F122-D237 HydrophobicContact CZ-CB 3.42Å; F122-D237 VanDerWaalsContact CZ-CB 3.42Å; V225-D237 WeakPolarHBondContact CA-O 3.32Å; E226-D237 PolarHBondContact N-O 2.81Å; E226-D237 PolarHBondContact O-N 3.35Å
238A92.9Very high89.3Confident53 Ų5361.7 Ų61.744%0.43833%0.329SS..EExtended strand (participates in β ladder)trans-114.1120.3-179.700000108.7V223 R224 V225V223-A238 HydrophobicContact CG1-CB 3.88Å; R224-A238 CarbonylContact O-C 3.04Å; R224-A238 WeakPolarHBondContact O-CA 3.41Å; V225-A238 HydrophobicContact CG2-CB 4.21Å
239T93.5Very high89.6Confident37 Ų3762.9 Ų62.923%0.22734%0.341CS..EExtended strand (participates in β ladder)trans-119.9123.7-178.7-60.60000109.4R224 I241R224-T239 PolarHBondContact N-O 3.45Å; R224-T239 PolarHBondContact O-N 2.93Å; T239-I241 HydrophobicContact CG2-CG2 4.47Å; T239-I241 PolarHBondContact O-N 2.92Å
240E95.2Very high90.3Very high98 Ų9866.9 Ų66.946%0.45836%0.361SS..EExtended strand (participates in β ladder)trans-65123.8167.8-172.6-171.8111.200109.3Q221 N243Q221-E240 HydrophobicContact CB-CG 4.33Å; Q221-E240 VanDerWaalsContact CD-OE2 3.29Å; Q221-E240 PolarHBondContact NE2-OE2 2.83Å; E240-N243 VanDerWaalsContact OE1-CB 3.3Å; E240-N243 WeakPolarHBondContact OE1-CB 3.39Å
241I94.2Very high91.1Very high31 Ų3166.4 Ų66.416%0.15936%0.357CS..EExtended strand (participates in β ladder)trans-108.8-17.9179.356.9166.4000113.1L222 R224 T239 P264 F267 T268 F281L222-I241 HydrophobicContact CB-CG1 4.1Å; L222-I241 HydrophobicContact CD2-CD1 3.5Å; L222-I241 VanDerWaalsContact CD2-CD1 3.5Å; L222-I241 HydrophobicContact CD2-CG1 3.82Å; L222-I241 HydrophobicContact CG-CD1 3.73Å; L222-I241 HydrophobicContact CG-CG1 3.7Å; L222-I241 VanDerWaalsContact O-CG1 3.26Å; L222-I241 WeakPolarHBondContact O-CG1 3.31Å; L222-I241 PolarHBondContact O-N 2.82Å; R224-I241 HydrophobicContact CB-CD1 4.21Å; R224-I241 HydrophobicContact CB-CG1 4.38Å; R224-I241 HydrophobicContact CB-CG2 3.77Å; T239-I241 HydrophobicContact CG2-CG2 4.47Å; T239-I241 PolarHBondContact O-N 2.92Å; I241-P264 HydrophobicContact CD1-CG 4.49Å; I241-F267 HydrophobicContact CB-CB 4.19Å; I241-F267 HydrophobicContact CD1-CB 4.12Å; I241-F267 WeakPolarHBondContact CD1-O 3.18Å; I241-F267 HydrophobicContact CG2-CB 4.45Å; I241-T268 HydrophobicContact CD1-CG2 3.8Å; I241-F281 HydrophobicContact CD1-CD1 4.16Å; I241-F281 HydrophobicContact CD1-CE1 3.94Å
242Q96.3Very high92.2Very high48 Ų4863 Ų6322%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-158.2134.5174.3-178.2179.68.200110Q221 L222 I244 V262Q221-Q242 CarbonylContact C-O 3.52Å; Q221-Q242 WeakPolarHBondContact CA-O 3.28Å; L222-Q242 HydrophobicContact CB-CB 4.12Å; L222-Q242 PolarHBondContact N-O 3Å; L222-Q242 PolarHBondContact O-N 2.87Å; Q242-I244 HydrophobicContact CG-CG2 4.16Å; Q242-V262 PolarHBondContact OE1-O 3.06Å
243N97.4Very high93.3Very high60 Ų6061.3 Ų61.332%0.32133%0.325SS..EExtended strand (participates in β ladder)trans-119.4133.9166.5173.6-64.8000108.5E219 L220 Q221 E240E219-N243 PolarHBondContact OE2-ND2 3.5Å; L220-N243 WeakPolarHBondContact O-CA 3.08Å; Q221-N243 HydrophobicContact CG-CB 4.31Å; Q221-N243 WeakPolarHBondContact CG-ND2 3.35Å; E240-N243 VanDerWaalsContact OE1-CB 3.3Å; E240-N243 WeakPolarHBondContact OE1-CB 3.39Å
244I97.6Very high94.2Very high44 Ų4462.1 Ų62.123%0.22633%0.334CS..EExtended strand (participates in β ladder)trans-129.2137168.766.8179.6000109.9E219 L220 Q242 I246 M261E219-I244 CarbonylContact C-O 3.58Å; E219-I244 VanDerWaalsContact CA-O 3.28Å; E219-I244 WeakPolarHBondContact CA-O 3.4Å; L220-I244 HydrophobicContact CB-CD1 4.46Å; L220-I244 HydrophobicContact CB-CG1 3.87Å; L220-I244 HydrophobicContact CD1-CD1 4.19Å; L220-I244 HydrophobicContact CD1-CG1 4.36Å; L220-I244 PolarHBondContact N-O 2.95Å; L220-I244 PolarHBondContact O-N 2.92Å; Q242-I244 HydrophobicContact CG-CG2 4.16Å; I244-I246 HydrophobicContact CD1-CG2 4.13Å; I244-I246 HydrophobicContact CG1-CG2 4.09Å; I244-M261 HydrophobicContact CD1-CB 3.86Å; I244-M261 HydrophobicContact CD1-CE 3.71Å; I244-M261 HydrophobicContact CD1-CG 4.11Å; I244-M261 HydrophobicContact CG1-CE 3.61Å
245Q98.2Very high94.9Very high94 Ų9461.1 Ų61.144%0.43933%0.334SS..EExtended strand (participates in β ladder)trans-88120170-172.1179.1-72.200108.9E219 A247 E248E219-Q245 HydrophobicContact CG-CB 4.18Å; E219-Q245 HydrophobicContact CG-CG 4.22Å; Q245-A247 VanDerWaalsContact CG-O 3.28Å; Q245-A247 WeakPolarHBondContact CG-O 3.39Å; Q245-E248 PolarHBondContact NE2-OE2 3.06Å
246I97.9Very high95.5Very high39 Ų3963.5 Ų63.520%0.235%0.349CS..EExtended strand (participates in β ladder)trans-99.4-15.7-179.963.3169.5000112.9V206 I218 L220 I244 I257 V259V206-I246 HydrophobicContact CB-CD1 4.43Å; V206-I246 HydrophobicContact CG2-CD1 4.06Å; I218-I246 HydrophobicContact CB-CG1 4.05Å; I218-I246 HydrophobicContact CG2-CD1 3.84Å; I218-I246 HydrophobicContact CG2-CG1 3.76Å; I218-I246 WeakPolarHBondContact O-CG1 3.26Å; I218-I246 PolarHBondContact O-N 2.82Å; L220-I246 HydrophobicContact CD1-CD1 4.23Å; L220-I246 HydrophobicContact CD1-CG2 3.73Å; L220-I246 HydrophobicContact CD2-CD1 4.41Å; L220-I246 HydrophobicContact CG-CD1 4.11Å; L220-I246 HydrophobicContact CG-CG2 4.03Å; I244-I246 HydrophobicContact CD1-CG2 4.13Å; I244-I246 HydrophobicContact CG1-CG2 4.09Å; I246-I257 HydrophobicContact CB-CG2 4.34Å; I246-I257 HydrophobicContact CD1-CG2 4.06Å; I246-I257 HydrophobicContact CG1-CG2 4.18Å; I246-V259 HydrophobicContact CD1-CG2 4.23Å
247A97.9Very high95.9Very high15 Ų1557 Ų5712%0.12433%0.325CS..EExtended strand (participates in β ladder)trans-151.3150.4170.500000112.1S217 I218 Q245 V251 I257S217-A247 WeakPolarHBondContact CA-O 3.3Å; I218-A247 HydrophobicContact CB-CB 4.1Å; I218-A247 HydrophobicContact CD1-CB 4.31Å; I218-A247 HydrophobicContact CG1-CB 4.19Å; I218-A247 PolarHBondContact N-O 2.96Å; I218-A247 PolarHBondContact O-N 3.41Å; Q245-A247 VanDerWaalsContact CG-O 3.28Å; Q245-A247 WeakPolarHBondContact CG-O 3.39Å; A247-V251 HydrophobicContact CB-CG1 3.56Å; A247-I257 HydrophobicContact CB-CD1 3.89Å; A247-I257 HydrophobicContact CB-CG2 4.32Å
248E97.1Very high96.3Very high158 Ų15859.3 Ų59.374%0.73834%0.343SS*.EExtended strand (participates in β ladder)trans-129.4138.7179.8-166.1175.4159.400110.4Q245Q245-E248 PolarHBondContact NE2-OE2 3.06Å
249G94.3Very high96.5Very high26 Ų2657 Ų5727%0.26832%0.323SS..SBendtrans75.1-173.9179.900000113.3I215 K216 V251I215-G249 CarbonylContact O-C 3.56Å; K216-G249 PolarHBondContact O-N 3.05Å; G249-V251 PolarHBondContact O-N 3.18Å
250D96.6Very high96.7Very high90 Ų9060.7 Ų60.748%0.48134%0.338SS..SBendtrans-74.197.8-176.8-163.431.8000109.9P214 I215P214-D250 VanDerWaalsContact CA-OD1 3.3Å; P214-D250 WeakPolarHBondContact CA-OD1 3.34Å; P214-D250 HydrophobicContact CB-CB 3.96Å; I215-D250 PolarHBondContact N-OD1 2.86Å; I215-D250 WeakPolarHBondContact O-CA 3.41Å; I215-D250 PolarHBondContact O-N 3.15Å; I215-D250 VanDerWaalsContact O-N 3.15Å
251V95.3Very high96.8Very high15 Ų1556.1 Ų56.19%0.09132%0.316CS..PPolyproline II helixtrans-67.9148.9-175.7-60.90000111V208 I215 I218 A247 G249 H253 I257V208-V251 HydrophobicContact CB-CG2 3.96Å; V208-V251 HydrophobicContact CG2-CG2 3.7Å; I215-V251 HydrophobicContact CB-CG2 4.46Å; I215-V251 HydrophobicContact CG1-CG2 4.1Å; I218-V251 HydrophobicContact CD1-CG1 4.47Å; I218-V251 HydrophobicContact CD1-CG2 4.24Å; A247-V251 HydrophobicContact CB-CG1 3.56Å; G249-V251 PolarHBondContact O-N 3.18Å; V251-H253 PolarHBondContact O-N 2.94Å; V251-I257 HydrophobicContact CB-CD1 4.1Å; V251-I257 HydrophobicContact CG1-CD1 3.91Å; V251-I257 HydrophobicContact CG2-CD1 4.14Å
252G94.6Very high97Very high40 Ų4058.7 Ų58.741%0.41233%0.333SS..PPolyproline II helixtrans-58.5122.417500000111.7G254 M255G252-G254 PolarHBondContact O-N 2.98Å; G252-M255 VanDerWaalsContact O-CB 3.23Å; G252-M255 WeakPolarHBondContact O-CB 3.43Å; G252-M255 PolarHBondContact O-N 2.88Å
253H96.3Very high96.9Very high92 Ų9256.6 Ų56.643%0.42632%0.323SS..THydrogen-bonded Turntrans-63.7137.6176.3-69.2-175.6000110.9V208 V251 M255V208-H253 CarbonylContact O-C 3.52Å; V208-H253 WeakPolarHBondContact O-CA 3.49Å; V251-H253 PolarHBondContact O-N 2.94Å; H253-M255 PolarHBondContact O-N 2.85Å
254G96.4Very high96.7Very high39 Ų3955.1 Ų55.140%0.40232%0.317SS..THydrogen-bonded Turntrans79.21.8-176.600000114.7V208 G252V208-G254 PolarHBondContact O-N 3.28Å; G252-G254 PolarHBondContact O-N 2.98Å
255M96.4Very high95.8Very high99 Ų9963.7 Ų63.749%0.48835%0.346SS..  trans-91.7123.6178.1-170.5174.567.500110.6G252 H253G252-M255 VanDerWaalsContact O-CB 3.23Å; G252-M255 WeakPolarHBondContact O-CB 3.43Å; G252-M255 PolarHBondContact O-N 2.88Å; H253-M255 PolarHBondContact O-N 2.85Å
256P97.6Very high95Very high62 Ų6265.7 Ų65.740%0.40336%0.36SS..EExtended strand (participates in β ladder)trans-72.1131.8174.428.7-33000110.7
257I98.4Very high94.5Very high12 Ų1269.1 Ų69.16%0.06237%0.373CS..EExtended strand (participates in β ladder)trans-107.7118176.6-60161.3000107.2E205 V206 I218 I246 A247 V251E205-I257 CarbonylContact C-O 3.49Å; E205-I257 WeakPolarHBondContact CA-O 3.49Å; V206-I257 PolarHBondContact N-O 2.86Å; V206-I257 WeakPolarHBondContact O-CA 3.39Å; V206-I257 VanDerWaalsContact O-CB 3.31Å; V206-I257 WeakPolarHBondContact O-CB 3.41Å; V206-I257 PolarHBondContact O-N 3.29Å; I218-I257 HydrophobicContact CD1-CD1 3.65Å; I246-I257 HydrophobicContact CB-CG2 4.34Å; I246-I257 HydrophobicContact CD1-CG2 4.06Å; I246-I257 HydrophobicContact CG1-CG2 4.18Å; A247-I257 HydrophobicContact CB-CD1 3.89Å; A247-I257 HydrophobicContact CB-CG2 4.32Å; V251-I257 HydrophobicContact CB-CD1 4.1Å; V251-I257 HydrophobicContact CG1-CD1 3.91Å; V251-I257 HydrophobicContact CG2-CD1 4.14Å
258P98Very high94.2Very high94 Ų9468.9 Ų68.961%0.6137%0.37SS*.EExtended strand (participates in β ladder)trans-70.4135.1-175.628.2-34.2000111.5
259V98.2Very high94Very high4 Ų461.6 Ų61.62%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-89.2128167.61700000108.4L191 L202 T203 G204 V206 L220 I246L191-V259 HydrophobicContact CD2-CG1 4.38Å; L202-V259 HydrophobicContact CD2-CG1 4.41Å; L202-V259 HydrophobicContact CG-CG1 4.33Å; T203-V259 VanDerWaalsContact CA-O 3.3Å; T203-V259 WeakPolarHBondContact CA-O 3.19Å; G204-V259 PolarHBondContact N-O 2.66Å; G204-V259 PolarHBondContact O-N 2.87Å; V206-V259 HydrophobicContact CG2-CG2 3.84Å; L220-V259 HydrophobicContact CD1-CB 4.25Å; L220-V259 HydrophobicContact CD1-CG1 3.58Å; L220-V259 HydrophobicContact CD1-CG2 4.07Å; I246-V259 HydrophobicContact CD1-CG2 4.23Å
260H97.6Very high94Very high115 Ų11560.8 Ų60.853%0.53233%0.326SS..EExtended strand (participates in β ladder)trans-151.695.3172.1-176.4-77.2000110.5P201 L202P201-H260 WeakPolarHBondContact CG-NE2 3.25Å; L202-H260 CarbonylContact O-C 3.58Å; L202-H260 VanDerWaalsContact O-CA 3.29Å; L202-H260 WeakPolarHBondContact O-CA 3.12Å
261M97.4Very high93.9Very high1 Ų157.7 Ų57.71%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-117.3117.8-178.8179.4-177.3-80.700111.2P201 L202 L220 L222 I244 I283P201-M261 CarbonylContact C-O 3.48Å; P201-M261 WeakPolarHBondContact CA-O 3.32Å; L202-M261 HydrophobicContact CB-CB 4.32Å; L202-M261 PolarHBondContact N-O 2.75Å; L202-M261 PolarHBondContact O-N 2.62Å; L220-M261 HydrophobicContact CB-CE 3.44Å; L220-M261 VanDerWaalsContact CB-CE 3.44Å; L220-M261 HydrophobicContact CD1-CE 4.46Å; L220-M261 WeakPolarHBondContact O-CE 3.29Å; L222-M261 HydrophobicContact CB-SD 3.84Å; I244-M261 HydrophobicContact CD1-CB 3.86Å; I244-M261 HydrophobicContact CD1-CE 3.71Å; I244-M261 HydrophobicContact CD1-CG 4.11Å; I244-M261 HydrophobicContact CG1-CE 3.61Å; M261-I283 HydrophobicContact CE-CD1 3.71Å; M261-I283 HydrophobicContact SD-CD1 3.49Å; M261-I283 WeakPolarHBondContact SD-CD1 3.49Å
262V97.1Very high93.8Very high85 Ų8558.5 Ų58.552%0.51532%0.315SS..PPolyproline II helixtrans-81.9127.3172.8177.70000109.7P201 Q242P201-V262 HydrophobicContact CB-CG2 4.26Å; Q242-V262 PolarHBondContact OE1-O 3.06Å
263F95.4Very high93.8Very high4 Ų462.2 Ų62.22%0.01832%0.321CS..PPolyproline II helixtrans-68.4130.4176.6-60.5-65000112.1C196 Q200 L202 L222 R265 T268 L301 L303C196-F263 HydrophobicContact CB-CE2 3.8Å; C196-F263 HydrophobicContact CB-CZ 3.89Å; Q200-F263 WeakPolarHBondContact O-CD2 3.31Å; Q200-F263 VanDerWaalsContact O-CE2 3.31Å; Q200-F263 WeakPolarHBondContact O-CE2 3.47Å; L202-F263 HydrophobicContact CB-CE1 4.43Å; L202-F263 HydrophobicContact CB-CE2 4.47Å; L202-F263 HydrophobicContact CB-CZ 3.87Å; L222-F263 HydrophobicContact CD1-CD1 4.28Å; L222-F263 HydrophobicContact CD1-CE1 4.11Å; L222-F263 HydrophobicContact CD2-CD1 3.9Å; F263-R265 PolarHBondContact O-N 3.06Å; F263-T268 HydrophobicContact CB-CG2 4.1Å; F263-T268 HydrophobicContact CD1-CG2 4.46Å; F263-L301 HydrophobicContact CE1-CD1 4.04Å; F263-L301 HydrophobicContact CZ-CD1 4.31Å; F263-L303 HydrophobicContact CD1-CD1 4.4Å; F263-L303 HydrophobicContact CD1-CD2 4.45Å; F263-L303 HydrophobicContact CE1-CD2 3.92Å; F263-L303 HydrophobicContact CE2-CD2 4.1Å; F263-L303 HydrophobicContact CZ-CD2 3.72Å
264P92.8Very high93.6Very high29 Ų2959.2 Ų59.219%0.18831%0.31CS..PPolyproline II helixtrans-76.8118.8-173.227.8-34.1000112.7L222 I241 L266 F267 T268L222-P264 HydrophobicContact CD2-CG 4.29Å; I241-P264 HydrophobicContact CD1-CG 4.49Å; P264-L266 PolarHBondContact O-N 3.43Å; P264-F267 HydrophobicContact CB-CB 4.41Å; P264-F267 HydrophobicContact CB-CD2 4.2Å; P264-F267 HydrophobicContact CG-CB 3.98Å; P264-F267 PolarHBondContact O-N 3.49Å; P264-T268 HydrophobicContact CG-CG2 4.09Å; P264-T268 PolarHBondContact O-N 3.3Å; P264-T268 PolarHBondContact O-OG1 3.07Å; P264-T268 VanDerWaalsContact O-OG1 3.06Å
265R79.3Confident93.2Very high224 Ų22462.7 Ų62.785%0.84532%0.323SS*.THydrogen-bonded Turntrans-59.42.8-168.1-69.1-175.9178.8174.20.6118.4F263F263-R265 PolarHBondContact O-N 3.06Å
266L81Confident92.9Very high137 Ų13761.1 Ų61.172%0.71732%0.316SS*.THydrogen-bonded Turntrans-133.1-9.1175.9-66.4174.5000113.4P264P264-L266 PolarHBondContact O-N 3.43Å
267F87.2Confident92.7Very high110 Ų11058.3 Ų58.348%0.48230%0.298SS..THydrogen-bonded Turntrans-109.8-8-179.2-61.9-80.8000112.2I241 P264I241-F267 HydrophobicContact CB-CB 4.19Å; I241-F267 HydrophobicContact CD1-CB 4.12Å; I241-F267 WeakPolarHBondContact CD1-O 3.18Å; I241-F267 HydrophobicContact CG2-CB 4.45Å; P264-F267 HydrophobicContact CB-CB 4.41Å; P264-F267 HydrophobicContact CB-CD2 4.2Å; P264-F267 HydrophobicContact CG-CB 3.98Å; P264-F267 PolarHBondContact O-N 3.49Å
268T92Very high92.5Very high10 Ų1060.8 Ų60.86%0.06131%0.308CS..  trans-118.7143.1174.658.50000111.9L222 I241 F263 P264 F281 L303L222-T268 HydrophobicContact CD2-CG2 3.82Å; I241-T268 HydrophobicContact CD1-CG2 3.8Å; F263-T268 HydrophobicContact CB-CG2 4.1Å; F263-T268 HydrophobicContact CD1-CG2 4.46Å; P264-T268 HydrophobicContact CG-CG2 4.09Å; P264-T268 PolarHBondContact O-N 3.3Å; P264-T268 PolarHBondContact O-OG1 3.07Å; P264-T268 VanDerWaalsContact O-OG1 3.06Å; T268-F281 HydrophobicContact CG2-CD1 4.36Å; T268-F281 HydrophobicContact CG2-CE1 3.92Å; T268-L303 HydrophobicContact CG2-CD1 4.18Å
269C92.8Very high92.4Very high5 Ų556.3 Ų56.33%0.03428%0.279CS..  trans-136173.9168.167.10000108.4E116 Y118 I198 F281E116-C269 HydrophobicContact CG-CB 4.36Å; Y118-C269 HydrophobicContact CD2-CB 4.01Å; Y118-C269 WeakPolarHBondContact CD2-SG 3.48Å; I198-C269 WeakPolarHBondContact CD1-O 3.27Å; C269-F281 WeakPolarHBondContact O-CE2 3.43Å
270P93.6Very high92.4Very high9 Ų958.7 Ų58.76%0.05829%0.29CS..  trans-55.8143.4168.8-27.736.9000111E116 S152 I198 L272 L303 R305E116-P270 VanDerWaalsContact OE1-CD 3.24Å; E116-P270 WeakPolarHBondContact OE1-CD 3.36Å; E116-P270 WeakPolarHBondContact OE2-CD 3.03Å; S152-P270 WeakPolarHBondContact OG-CG 3.44Å; I198-P270 HydrophobicContact CD1-CB 4.22Å; I198-P270 VanDerWaalsContact CD1-CD 3.43Å; I198-P270 HydrophobicContact CD1-CG 3.64Å; P270-L272 PolarHBondContact O-N 2.9Å; P270-L303 CarbonylContact C-O 3.53Å; P270-L303 VanDerWaalsContact CA-O 3.27Å; P270-L303 WeakPolarHBondContact CA-O 3.47Å; P270-R305 HydrophobicContact CG-CB 3.9Å
271T94.5Very high92.4Very high26 Ų2653.3 Ų53.316%0.1627%0.265CS..  trans-55.3124.6171.4-61.60000108.1V279 E280 L301 K302 L303T271-V279 WeakPolarHBondContact CA-O 3.47Å; T271-E280 HydrophobicContact CG2-CG 4.28Å; T271-L301 PolarHBondContact OG1-O 2.9Å; T271-K302 WeakPolarHBondContact OG1-CA 3.38Å; T271-L303 PolarHBondContact N-O 2.9Å; T271-L303 PolarHBondContact OG1-N 2.89Å
272L94.2Very high92.4Very high31 Ų3155 Ų5516%0.16227%0.273CS..EExtended strand (participates in β ladder)trans-126.2121-172.9175.557.4000108.8Y115 I125 P270 T274 F277 K278 V279Y115-L272 HydrophobicContact CD1-CD1 3.62Å; Y115-L272 HydrophobicContact CD1-CD2 3.73Å; Y115-L272 HydrophobicContact CD1-CG 4.34Å; Y115-L272 HydrophobicContact CE1-CD1 3.7Å; Y115-L272 HydrophobicContact CE1-CD2 4.36Å; Y115-L272 HydrophobicContact CG-CD2 3.97Å; I125-L272 HydrophobicContact CD1-CD2 3.81Å; P270-L272 PolarHBondContact O-N 2.9Å; L272-T274 HydrophobicContact CD1-CG2 4Å; L272-T274 HydrophobicContact CG-CG2 4.22Å; L272-F277 HydrophobicContact CD2-CE2 3.56Å; L272-F277 HydrophobicContact CD2-CZ 4.1Å; L272-F277 HydrophobicContact CG-CE2 4.15Å; L272-K278 CarbonylContact O-C 3.55Å; L272-K278 WeakPolarHBondContact O-CA 3.2Å; L272-V279 HydrophobicContact CB-CB 4.46Å; L272-V279 PolarHBondContact N-O 3Å; L272-V279 PolarHBondContact O-N 3.01Å
273E93.6Very high92.4Very high119 Ų11951 Ų5156%0.55625%0.249SC*.EExtended strand (participates in β ladder)trans-121.9121.7176-66.9-170.3-118.600109.7K278E273-K278 HydrophobicContact CG-CD 4.16Å; E273-K278 HydrophobicContact CG-CG 4.37Å; E273-K278 IonicContact OE2-NZ 2.69Å; E273-K278 PolarHBondContact OE2-NZ 2.6Å
274T92.3Very high92.5Very high29 Ų2951.5 Ų51.518%0.17825%0.252CS..  trans-126.7175.217378.60000109.5Y115 L272 N276 F277Y115-T274 HydrophobicContact CE1-CG2 4.06Å; L272-T274 HydrophobicContact CD1-CG2 4Å; L272-T274 HydrophobicContact CG-CG2 4.22Å; T274-N276 VanDerWaalsContact C-N 3.34Å; T274-N276 PolarHBondContact O-N 3.11Å; T274-N276 PolarHBondContact OG1-N 3.11Å; T274-F277 WeakPolarHBondContact CA-O 3.45Å; T274-F277 WeakPolarHBondContact CB-O 3.32Å; T274-F277 HydrophobicContact CG2-CD1 4.28Å; T274-F277 HydrophobicContact CG2-CE1 3.76Å; T274-F277 HydrophobicContact CG2-CE2 4.09Å; T274-F277 HydrophobicContact CG2-CZ 3.66Å; T274-F277 PolarHBondContact N-O 3.28Å; T274-F277 WeakPolarHBondContact OG1-CD1 3.37Å; T274-F277 WeakPolarHBondContact OG1-CE1 3.38Å; T274-F277 PolarHBondContact OG1-N 3.33Å; T274-F277 PolarHBondContact OG1-O 3.47Å
275T88.6Confident92.7Very high112 Ų11250.1 Ų50.169%0.68724%0.243SC*.SBendtrans-60.6-43.2173.9-480000112Y234Y234-T275 VanDerWaalsContact CE1-O 3.29Å; Y234-T275 WeakPolarHBondContact CE1-O 3.28Å; Y234-T275 PolarHBondContact OH-O 2.79Å
276N89.1Confident93.6Very high65 Ų6539.6 Ų39.635%0.34820%0.203SC..SBendtrans-100.3-19.2-169-63-22.4000113.5L58 I78 C228 G229 T274L58-N276 HydrophobicContact CD1-CB 4.44Å; I78-N276 HydrophobicContact CD1-CB 4.46Å; C228-N276 CarbonylContact C-O 3.59Å; C228-N276 WeakPolarHBondContact CA-O 3.4Å; G229-N276 PolarHBondContact N-O 2.94Å; G229-N276 VanDerWaalsContact O-O 3.11Å; T274-N276 VanDerWaalsContact C-N 3.34Å; T274-N276 PolarHBondContact O-N 3.11Å; T274-N276 PolarHBondContact OG1-N 3.11Å
277F93.1Very high94.3Very high3 Ų333 Ų331%0.01317%0.169CC..EExtended strand (participates in β ladder)trans-153.1154.1-179.571-84.8000112.8V56 L58 I78 Y115 V123 I125 T227 C228 L272 T274V56-F277 HydrophobicContact CG1-CD1 4.29Å; V56-F277 HydrophobicContact CG1-CE1 3.98Å; V56-F277 HydrophobicContact CG1-CE2 4.39Å; V56-F277 HydrophobicContact CG1-CZ 4.03Å; V56-F277 HydrophobicContact CG2-CE1 4.29Å; V56-F277 HydrophobicContact CG2-CZ 4.11Å; L58-F277 HydrophobicContact CD1-CB 4.31Å; L58-F277 HydrophobicContact CD1-CD1 4.39Å; L58-F277 HydrophobicContact CD2-CB 3.59Å; L58-F277 HydrophobicContact CD2-CD1 4.08Å; L58-F277 HydrophobicContact CD2-CD2 4.49Å; L58-F277 HydrophobicContact CD2-CG 3.81Å; I78-F277 HydrophobicContact CD1-CD1 4.18Å; I78-F277 HydrophobicContact CD1-CE1 4.15Å; Y115-F277 HydrophobicContact CD2-CZ 4.02Å; Y115-F277 HydrophobicContact CE2-CE1 4.29Å; Y115-F277 AromaticContact CE2-CZ 3.85Å; Y115-F277 HydrophobicContact CE2-CZ 3.85Å; V123-F277 HydrophobicContact CB-CD2 4.48Å; V123-F277 HydrophobicContact CG1-CD2 3.57Å; V123-F277 HydrophobicContact CG1-CE2 3.89Å; V123-F277 HydrophobicContact CG1-CG 4.3Å; V123-F277 HydrophobicContact CG2-CB 3.97Å; V123-F277 HydrophobicContact CG2-CD2 4.07Å; V123-F277 HydrophobicContact CG2-CG 4.38Å; I125-F277 HydrophobicContact CD1-CE2 4.01Å; I125-F277 HydrophobicContact CD1-CZ 4.35Å; T227-F277 CarbonylContact O-C 3.56Å; T227-F277 WeakPolarHBondContact O-CA 3.48Å; T227-F277 WeakPolarHBondContact O-CB 3.1Å; C228-F277 HydrophobicContact CB-CB 4.45Å; L272-F277 HydrophobicContact CD2-CE2 3.56Å; L272-F277 HydrophobicContact CD2-CZ 4.1Å; L272-F277 HydrophobicContact CG-CE2 4.15Å; T274-F277 WeakPolarHBondContact CA-O 3.45Å; T274-F277 WeakPolarHBondContact CB-O 3.32Å; T274-F277 HydrophobicContact CG2-CD1 4.28Å; T274-F277 HydrophobicContact CG2-CE1 3.76Å; T274-F277 HydrophobicContact CG2-CE2 4.09Å; T274-F277 HydrophobicContact CG2-CZ 3.66Å; T274-F277 PolarHBondContact N-O 3.28Å; T274-F277 WeakPolarHBondContact OG1-CD1 3.37Å; T274-F277 WeakPolarHBondContact OG1-CE1 3.38Å; T274-F277 PolarHBondContact OG1-N 3.33Å; T274-F277 PolarHBondContact OG1-O 3.47Å
278K95.4Very high94.8Very high64 Ų6429.2 Ų29.228%0.27815%0.153SC..EExtended strand (participates in β ladder)trans-136.8145.6176.7-50.8-173.3173.8-154.40110.9E226 T227 L272 E273 E280E226-K278 WeakPolarHBondContact CA-O 3.03Å; T227-K278 PolarHBondContact N-O 2.78Å; T227-K278 PolarHBondContact O-N 2.93Å; L272-K278 CarbonylContact O-C 3.55Å; L272-K278 WeakPolarHBondContact O-CA 3.2Å; E273-K278 HydrophobicContact CG-CD 4.16Å; E273-K278 HydrophobicContact CG-CG 4.37Å; E273-K278 IonicContact OE2-NZ 2.69Å; E273-K278 PolarHBondContact OE2-NZ 2.6Å; K278-E280 HydrophobicContact CB-CG 4.35Å
279V96.3Very high95Very high1 Ų128.8 Ų28.81%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-126.1109.9168.6-174.90000107.2Y118 V123 R224 T271 L272 F281Y118-V279 HydrophobicContact CD1-CG2 4.07Å; Y118-V279 HydrophobicContact CD2-CG1 4.29Å; Y118-V279 HydrophobicContact CE1-CG1 4.15Å; Y118-V279 HydrophobicContact CE1-CG2 3.73Å; Y118-V279 HydrophobicContact CE2-CG1 3.65Å; V123-V279 HydrophobicContact CB-CG2 4.21Å; V123-V279 HydrophobicContact CG1-CG2 4.18Å; V123-V279 HydrophobicContact CG2-CG2 4.37Å; R224-V279 HydrophobicContact CG-CG1 4.49Å; T271-V279 WeakPolarHBondContact CA-O 3.47Å; L272-V279 HydrophobicContact CB-CB 4.46Å; L272-V279 PolarHBondContact N-O 3Å; L272-V279 PolarHBondContact O-N 3.01Å; V279-F281 HydrophobicContact CG1-CE2 3.96Å; V279-F281 HydrophobicContact CG1-CZ 3.93Å
280E96.9Very high95.2Very high53 Ų5334 Ų3425%0.24817%0.174CC..EExtended strand (participates in β ladder)trans-123.3162.7-174.6-65.8169.8109.600109.6V225 T271 K278V225-E280 HydrophobicContact CB-CB 4.15Å; V225-E280 PolarHBondContact N-O 2.96Å; V225-E280 PolarHBondContact O-N 3.22Å; T271-E280 HydrophobicContact CG2-CG 4.28Å; K278-E280 HydrophobicContact CB-CG 4.35Å
281F97.3Very high95.2Very high2 Ų236.9 Ų36.91%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-134.2146-178.5-62.6-88.3000109.6V223 R224 I241 T268 C269 V279 L301 L303V223-F281 CarbonylContact O-C 3.57Å; V223-F281 VanDerWaalsContact O-CA 3.32Å; V223-F281 WeakPolarHBondContact O-CA 3.44Å; R224-F281 HydrophobicContact CB-CD1 4.24Å; R224-F281 HydrophobicContact CB-CE1 4.11Å; R224-F281 HydrophobicContact CG-CD1 4.24Å; R224-F281 HydrophobicContact CG-CE1 3.76Å; R224-F281 HydrophobicContact CG-CZ 4.27Å; I241-F281 HydrophobicContact CD1-CD1 4.16Å; I241-F281 HydrophobicContact CD1-CE1 3.94Å; T268-F281 HydrophobicContact CG2-CD1 4.36Å; T268-F281 HydrophobicContact CG2-CE1 3.92Å; C269-F281 WeakPolarHBondContact O-CE2 3.43Å; V279-F281 HydrophobicContact CG1-CE2 3.96Å; V279-F281 HydrophobicContact CG1-CZ 3.93Å; F281-L301 HydrophobicContact CB-CB 4.18Å; F281-L301 WeakPolarHBondContact O-CA 3.48Å; F281-L301 PolarHBondContact O-N 2.78Å; F281-L303 HydrophobicContact CB-CD1 4.07Å; F281-L303 HydrophobicContact CB-CG 4.16Å; F281-L303 HydrophobicContact CD1-CD1 3.99Å; F281-L303 HydrophobicContact CD2-CB 4.26Å; F281-L303 HydrophobicContact CD2-CD1 3.47Å; F281-L303 VanDerWaalsContact CD2-CD1 3.47Å; F281-L303 HydrophobicContact CD2-CG 3.77Å; F281-L303 HydrophobicContact CE1-CD1 4.34Å; F281-L303 HydrophobicContact CE2-CD1 3.88Å; F281-L303 HydrophobicContact CE2-CG 4.46Å; F281-L303 HydrophobicContact CG-CD1 3.55Å; F281-L303 HydrophobicContact CG-CG 4.03Å; F281-L303 HydrophobicContact CZ-CD1 4.3Å
282E97.4Very high95.1Very high38 Ų3841 Ų4118%0.17821%0.21CC..EExtended strand (participates in β ladder)trans-135146.9177-65.1171.9-173.700107.5V223 V225 R236 F299V223-E282 HydrophobicContact CB-CB 4.38Å; V223-E282 PolarHBondContact N-O 2.82Å; V223-E282 PolarHBondContact O-N 2.88Å; V225-E282 HydrophobicContact CG2-CG 4.12Å; R236-E282 IonicContact NH2-OE1 2.66Å; R236-E282 PolarHBondContact NH2-OE1 3.49Å; E282-F299 CarbonylContact C-O 3.55Å; E282-F299 VanDerWaalsContact CA-O 3.31Å; E282-F299 WeakPolarHBondContact CA-O 3.29Å
283I97.7Very high94.9Very high0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-112.3130.2167.8-171.480.5000108.7L191 L202 L220 Q221 L222 M261 F299 L301L191-I283 HydrophobicContact CD1-CG2 3.67Å; L202-I283 HydrophobicContact CD2-CB 4.14Å; L202-I283 HydrophobicContact CD2-CD1 3.96Å; L202-I283 HydrophobicContact CD2-CG1 3.74Å; L202-I283 HydrophobicContact CD2-CG2 4.07Å; L220-I283 HydrophobicContact CB-CD1 4.28Å; Q221-I283 WeakPolarHBondContact O-CA 3.48Å; Q221-I283 WeakPolarHBondContact O-CD1 3.5Å; L222-I283 HydrophobicContact CB-CD1 4.37Å; M261-I283 HydrophobicContact CE-CD1 3.71Å; M261-I283 HydrophobicContact SD-CD1 3.49Å; M261-I283 WeakPolarHBondContact SD-CD1 3.49Å; I283-F299 HydrophobicContact CG2-CB 3.76Å; I283-F299 HydrophobicContact CG2-CD2 4.21Å; I283-F299 HydrophobicContact CG2-CG 4.43Å; I283-F299 PolarHBondContact N-O 3.29Å; I283-F299 PolarHBondContact O-N 2.83Å; I283-L301 HydrophobicContact CB-CD1 3.94Å; I283-L301 HydrophobicContact CB-CG 4.3Å; I283-L301 HydrophobicContact CG2-CD1 4.1Å; I283-L301 HydrophobicContact CG2-CD2 3.89Å; I283-L301 HydrophobicContact CG2-CG 4.05Å
284N97.4Very high94.9Very high15 Ų1542 Ų428%0.0822%0.217CC..EExtended strand (participates in β ladder)trans-104.4127174-58.8-14.4000109L220 Q221 V286 T296 E297 N298L220-N284 WeakPolarHBondContact CA-O 3.31Å; Q221-N284 HydrophobicContact CB-CB 4.16Å; Q221-N284 PolarHBondContact N-O 2.99Å; Q221-N284 PolarHBondContact O-N 3.48Å; N284-V286 HydrophobicContact CB-CG2 4.07Å; N284-T296 HydrophobicContact CB-CG2 3.86Å; N284-E297 WeakPolarHBondContact CA-O 3.3Å; N284-N298 PolarHBondContact ND2-OD1 2.64Å; N284-N298 VanDerWaalsContact OD1-CG 3.31Å; N284-N298 PolarHBondContact OD1-OD1 3.39Å
285V97.5Very high95Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-89.1112.3163.6179.50000106.6F166 V206 L220 T296 E297 F299F166-V285 HydrophobicContact CZ-CG2 4.43Å; V206-V285 HydrophobicContact CG1-CG1 4.41Å; V206-V285 HydrophobicContact CG2-CG1 4.09Å; L220-V285 HydrophobicContact CD2-CB 4.4Å; L220-V285 HydrophobicContact CD2-CG2 3.79Å; V285-T296 WeakPolarHBondContact O-CA 3.42Å; V285-E297 PolarHBondContact N-O 3.1Å; V285-E297 PolarHBondContact O-N 2.93Å; V285-F299 HydrophobicContact CB-CE2 4.4Å; V285-F299 HydrophobicContact CG2-CD2 4.33Å; V285-F299 HydrophobicContact CG2-CE2 3.79Å
286V97.4Very high95.2Very high2 Ų236.9 Ų36.91%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-110.5127.2-178-172.70000108.6I218 E219 Q221 N284 I288 L294 I295 T296I218-V286 CarbonylContact C-O 3.57Å; I218-V286 WeakPolarHBondContact CA-O 3.27Å; E219-V286 HydrophobicContact CB-CB 4.23Å; E219-V286 PolarHBondContact N-O 3.31Å; E219-V286 PolarHBondContact O-N 3.2Å; Q221-V286 HydrophobicContact CG-CG2 4.12Å; N284-V286 HydrophobicContact CB-CG2 4.07Å; V286-I288 HydrophobicContact CG1-CG1 4.18Å; V286-L294 HydrophobicContact CG1-CD1 4.06Å; V286-L294 HydrophobicContact CG1-CD2 4.34Å; V286-L294 HydrophobicContact CG1-CG 3.93Å; V286-I295 CarbonylContact C-O 3.58Å; V286-I295 VanDerWaalsContact CA-O 3.32Å; V286-I295 WeakPolarHBondContact CA-O 3.3Å; V286-T296 HydrophobicContact CG2-CG2 4.14Å
287V97Very high95.5Very high0 Ų035.8 Ų35.80%018%0.179CC..EExtended strand (participates in β ladder)trans-120.9122.6174.31770000107.5I187 I215 I218 L289 I295I187-V287 HydrophobicContact CD1-CB 3.86Å; I187-V287 HydrophobicContact CD1-CG1 3.77Å; I187-V287 HydrophobicContact CD1-CG2 3.71Å; I215-V287 HydrophobicContact CD1-CG1 3.81Å; I215-V287 HydrophobicContact CG2-CG1 4.17Å; I218-V287 HydrophobicContact CG1-CG1 4.4Å; I218-V287 HydrophobicContact CG1-CG2 4.16Å; I218-V287 HydrophobicContact CG2-CG2 4.01Å; V287-L289 HydrophobicContact CG1-CD2 4.23Å; V287-I295 HydrophobicContact CB-CB 4.2Å; V287-I295 PolarHBondContact N-O 3.07Å; V287-I295 PolarHBondContact O-N 3.04Å
288I96.9Very high95.7Very high30 Ų3039.4 Ų39.415%0.15420%0.198CC..EExtended strand (participates in β ladder)trans-105126.2179.5-49.3-177.1000107.4K216 S217 E219 V286K216-I288 WeakPolarHBondContact CA-O 3.45Å; K216-I288 HydrophobicContact CB-CB 4.38Å; K216-I288 HydrophobicContact CB-CG2 4.31Å; K216-I288 VanDerWaalsContact CB-O 3.27Å; K216-I288 WeakPolarHBondContact CB-O 3.48Å; K216-I288 HydrophobicContact CD-CG2 3.81Å; K216-I288 PolarHBondContact N-O 2.84Å; S217-I288 PolarHBondContact N-O 2.84Å; S217-I288 PolarHBondContact O-N 3.22Å; S217-I288 WeakPolarHBondContact OG-CD1 3.13Å; E219-I288 WeakPolarHBondContact OE1-CD1 3.18Å; V286-I288 HydrophobicContact CG1-CG1 4.18Å
289L96.5Very high95.7Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-88159.9174.8-53.7-173.2000110.3P183 V213 I215 V287 D291 D292 H293 I295P183-L289 HydrophobicContact CB-CD1 4.49Å; P183-L289 HydrophobicContact CG-CD1 3.43Å; P183-L289 VanDerWaalsContact CG-CD1 3.43Å; V213-L289 HydrophobicContact CB-CB 4.3Å; V213-L289 HydrophobicContact CB-CD1 4.11Å; V213-L289 HydrophobicContact CG1-CB 3.89Å; I215-L289 HydrophobicContact CD1-CD2 3.42Å; I215-L289 VanDerWaalsContact CD1-CD2 3.42Å; V287-L289 HydrophobicContact CG1-CD2 4.23Å; L289-D291 VanDerWaalsContact CB-OD1 3.29Å; L289-D291 WeakPolarHBondContact CB-OD1 3.12Å; L289-D291 PolarHBondContact O-N 3.17Å; L289-D292 PolarHBondContact O-N 3.38Å; L289-H293 HydrophobicContact CB-CB 4.21Å; L289-H293 HydrophobicContact CD1-CB 3.89Å; L289-H293 HydrophobicContact CG-CB 4.16Å; L289-H293 PolarHBondContact N-O 3.29Å; L289-I295 HydrophobicContact CD1-CD1 4.09Å; L289-I295 HydrophobicContact CD2-CD1 4.12Å; L289-I295 HydrophobicContact CG-CD1 4.15Å
290Q96.6Very high95.7Very high114 Ų11441.5 Ų41.553%0.53322%0.217SC..THydrogen-bonded Turntrans-64.5-20.1179.9-77.1-173.62.900114.4V213 P214 K216 D292V213-Q290 HydrophobicContact CG1-CB 4.39Å; P214-Q290 HydrophobicContact CB-CG 4.04Å; P214-Q290 WeakPolarHBondContact O-CG 3.14Å; P214-Q290 PolarHBondContact O-N 3.5Å; K216-Q290 HydrophobicContact CB-CG 4.24Å; Q290-D292 VanDerWaalsContact C-N 3.25Å
291D93.9Very high95.7Very high71 Ų7139.4 Ų39.438%0.3821%0.207SC..THydrogen-bonded Turntrans-91.317.1173.269.4-8.5000113V213 L289 H293V213-D291 HydrophobicContact CG1-CB 4.14Å; L289-D291 VanDerWaalsContact CB-OD1 3.29Å; L289-D291 WeakPolarHBondContact CB-OD1 3.12Å; L289-D291 PolarHBondContact O-N 3.17Å; D291-H293 PolarHBondContact O-N 2.68Å; D291-H293 IonicContact OD1-CG 3.62Å; D291-H293 PolarHBondContact OD1-N 2.89Å; D291-H293 IonicContact OD1-ND1 2.92Å; D291-H293 PolarHBondContact OD1-ND1 2.92Å; D291-H293 IonicContact OD2-CE1 3.29Å; D291-H293 PolarHBondContact OD2-CE1 3.25Å; D291-H293 VanDerWaalsContact OD2-CE1 3.29Å; D291-H293 IonicContact OD2-ND1 2.82Å; D291-H293 PolarHBondContact OD2-ND1 3.35Å
292D91.1Very high95.5Very high111 Ų11145 Ų4559%0.59423%0.232SC*.  trans65.612.9177-59.5-47.9000115.7K216 L289 Q290 L294K216-D292 IonicContact NZ-OD1 2.92Å; K216-D292 PolarHBondContact NZ-OD1 3.49Å; L289-D292 PolarHBondContact O-N 3.38Å; Q290-D292 VanDerWaalsContact C-N 3.25Å; D292-L294 PolarHBondContact O-N 3.16Å
293H91.6Very high95.3Very high60 Ų6043.3 Ų43.328%0.27822%0.224SC..  trans-62.6129.5164.1-74.499.8000110.6L289 D291L289-H293 HydrophobicContact CB-CB 4.21Å; L289-H293 HydrophobicContact CD1-CB 3.89Å; L289-H293 HydrophobicContact CG-CB 4.16Å; L289-H293 PolarHBondContact N-O 3.29Å; D291-H293 PolarHBondContact O-N 2.68Å; D291-H293 IonicContact OD1-CG 3.62Å; D291-H293 PolarHBondContact OD1-N 2.89Å; D291-H293 IonicContact OD1-ND1 2.92Å; D291-H293 PolarHBondContact OD1-ND1 2.92Å; D291-H293 IonicContact OD2-CE1 3.29Å; D291-H293 PolarHBondContact OD2-CE1 3.25Å; D291-H293 VanDerWaalsContact OD2-CE1 3.29Å; D291-H293 IonicContact OD2-ND1 2.82Å; D291-H293 PolarHBondContact OD2-ND1 3.35Å
294L92.5Very high95Very high111 Ų11143.4 Ų43.458%0.58122%0.224SC*.EExtended strand (participates in β ladder)trans-107.6117.2178.5-174.8145.6000109.6V286 D292 T296V286-L294 HydrophobicContact CG1-CD1 4.06Å; V286-L294 HydrophobicContact CG1-CD2 4.34Å; V286-L294 HydrophobicContact CG1-CG 3.93Å; D292-L294 PolarHBondContact O-N 3.16Å; L294-T296 WeakPolarHBondContact CD2-OG1 3.22Å
295I94.3Very high94.6Very high2 Ų245 Ų451%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-103.4128.6177.8-60.5168.2000106.5I168 L173 F185 I187 V286 V287 L289I168-I295 HydrophobicContact CG2-CG2 3.71Å; L173-I295 HydrophobicContact CD2-CG2 3.96Å; F185-I295 HydrophobicContact CD1-CD1 3.59Å; F185-I295 HydrophobicContact CD2-CD1 3.82Å; F185-I295 HydrophobicContact CE1-CD1 3.57Å; F185-I295 HydrophobicContact CE1-CG1 4.01Å; F185-I295 HydrophobicContact CE2-CD1 3.79Å; F185-I295 HydrophobicContact CE2-CG1 4.32Å; F185-I295 HydrophobicContact CE2-CG2 4.01Å; F185-I295 HydrophobicContact CG-CD1 3.73Å; F185-I295 HydrophobicContact CZ-CD1 3.68Å; F185-I295 HydrophobicContact CZ-CG1 3.92Å; F185-I295 HydrophobicContact CZ-CG2 4.22Å; I187-I295 HydrophobicContact CD1-CD1 4.15Å; I187-I295 HydrophobicContact CD1-CG2 4.46Å; V286-I295 CarbonylContact C-O 3.58Å; V286-I295 VanDerWaalsContact CA-O 3.32Å; V286-I295 WeakPolarHBondContact CA-O 3.3Å; V287-I295 HydrophobicContact CB-CB 4.2Å; V287-I295 PolarHBondContact N-O 3.07Å; V287-I295 PolarHBondContact O-N 3.04Å; L289-I295 HydrophobicContact CD1-CD1 4.09Å; L289-I295 HydrophobicContact CD2-CD1 4.12Å; L289-I295 HydrophobicContact CG-CD1 4.15Å
296T94.2Very high93.9Very high33 Ų3350.1 Ų50.120%0.20226%0.26CS..EExtended strand (participates in β ladder)trans-138.9130179.2-56.90000111.6N284 V285 V286 L294N284-T296 HydrophobicContact CB-CG2 3.86Å; V285-T296 WeakPolarHBondContact O-CA 3.42Å; V286-T296 HydrophobicContact CG2-CG2 4.14Å; L294-T296 WeakPolarHBondContact CD2-OG1 3.22Å
297E95.1Very high93.8Very high42 Ų4252.5 Ų52.520%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-117.9131.9169.1-170.769.8-173.800108.7I168 N284 V285 F299I168-E297 HydrophobicContact CD1-CB 3.59Å; I168-E297 HydrophobicContact CD1-CG 4.36Å; I168-E297 HydrophobicContact CG1-CB 4.01Å; I168-E297 HydrophobicContact CG1-CG 4.31Å; N284-E297 WeakPolarHBondContact CA-O 3.3Å; V285-E297 PolarHBondContact N-O 3.1Å; V285-E297 PolarHBondContact O-N 2.93Å; E297-F299 HydrophobicContact CB-CE2 4Å; E297-F299 HydrophobicContact CB-CZ 4.13Å; E297-F299 HydrophobicContact CG-CE1 4.03Å; E297-F299 HydrophobicContact CG-CE2 3.65Å; E297-F299 HydrophobicContact CG-CZ 3.32Å
298N95.8Very high93.6Very high79 Ų7955.3 Ų55.342%0.42229%0.287SS..EExtended strand (participates in β ladder)trans-112.4132.2-170.7-57.7-120.1000108.8N284N284-N298 PolarHBondContact ND2-OD1 2.64Å; N284-N298 VanDerWaalsContact OD1-CG 3.31Å; N284-N298 PolarHBondContact OD1-OD1 3.39Å
299F96.2Very high93.4Very high13 Ų1356.7 Ų56.76%0.05729%0.294CS..EExtended strand (participates in β ladder)trans-125.2116179.8-55.5-86.8000110.7V164 F166 L191 E282 I283 V285 E297 L301V164-F299 HydrophobicContact CG1-CD1 4.03Å; V164-F299 HydrophobicContact CG1-CE1 4.33Å; V164-F299 HydrophobicContact CG2-CD1 4.28Å; V164-F299 HydrophobicContact CG2-CE1 4.22Å; F166-F299 HydrophobicContact CB-CE1 3.87Å; F166-F299 HydrophobicContact CB-CZ 3.63Å; F166-F299 AromaticContact CD1-CE1 3.93Å; F166-F299 HydrophobicContact CD1-CE1 3.93Å; F166-F299 HydrophobicContact CD1-CE2 4.18Å; F166-F299 AromaticContact CD1-CZ 3.41Å; F166-F299 HydrophobicContact CD1-CZ 3.41Å; F166-F299 VanDerWaalsContact CD1-CZ 3.41Å; F166-F299 HydrophobicContact CD2-CZ 4.27Å; F166-F299 HydrophobicContact CE1-CE2 4.46Å; F166-F299 HydrophobicContact CE1-CZ 4.1Å; F166-F299 HydrophobicContact CG-CE1 4.14Å; F166-F299 HydrophobicContact CG-CE2 4.47Å; F166-F299 AromaticContact CG-CZ 3.52Å; F166-F299 HydrophobicContact CG-CZ 3.52Å; L191-F299 HydrophobicContact CD1-CB 4.01Å; L191-F299 HydrophobicContact CD1-CD1 4.42Å; L191-F299 HydrophobicContact CD1-CD2 3.96Å; L191-F299 HydrophobicContact CD1-CG 3.86Å; E282-F299 CarbonylContact C-O 3.55Å; E282-F299 VanDerWaalsContact CA-O 3.31Å; E282-F299 WeakPolarHBondContact CA-O 3.29Å; I283-F299 HydrophobicContact CG2-CB 3.76Å; I283-F299 HydrophobicContact CG2-CD2 4.21Å; I283-F299 HydrophobicContact CG2-CG 4.43Å; I283-F299 PolarHBondContact N-O 3.29Å; I283-F299 PolarHBondContact O-N 2.83Å; V285-F299 HydrophobicContact CB-CE2 4.4Å; V285-F299 HydrophobicContact CG2-CD2 4.33Å; V285-F299 HydrophobicContact CG2-CE2 3.79Å; E297-F299 HydrophobicContact CB-CE2 4Å; E297-F299 HydrophobicContact CB-CZ 4.13Å; E297-F299 HydrophobicContact CG-CE1 4.03Å; E297-F299 HydrophobicContact CG-CE2 3.65Å; E297-F299 HydrophobicContact CG-CZ 3.32Å; F299-L301 PolarHBondContact O-N 2.82Å
300P96.6Very high93.2Very high96 Ų9660 Ų6062%0.62331%0.312SS*.EExtended strand (participates in β ladder)trans-60.9134171.6-22.733.6000111.6
301L95.8Very high93Very high8 Ų856.6 Ų56.64%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-112133.7177-62-173.9000110.8T194 L202 L222 F263 T271 F281 I283 F299 L303T194-L301 CarbonylContact O-C 3.45Å; T194-L301 WeakPolarHBondContact O-CA 3.38Å; L202-L301 HydrophobicContact CD1-CD2 4.46Å; L222-L301 HydrophobicContact CD1-CD1 4.11Å; F263-L301 HydrophobicContact CE1-CD1 4.04Å; F263-L301 HydrophobicContact CZ-CD1 4.31Å; T271-L301 PolarHBondContact OG1-O 2.9Å; F281-L301 HydrophobicContact CB-CB 4.18Å; F281-L301 WeakPolarHBondContact O-CA 3.48Å; F281-L301 PolarHBondContact O-N 2.78Å; I283-L301 HydrophobicContact CB-CD1 3.94Å; I283-L301 HydrophobicContact CB-CG 4.3Å; I283-L301 HydrophobicContact CG2-CD1 4.1Å; I283-L301 HydrophobicContact CG2-CD2 3.89Å; I283-L301 HydrophobicContact CG2-CG 4.05Å; F299-L301 PolarHBondContact O-N 2.82Å; L301-L303 HydrophobicContact CB-CD2 4.21Å; L301-L303 HydrophobicContact CD1-CD2 4.46Å
302K94.4Very high93Very high121 Ų12155.7 Ų55.753%0.52629%0.292SS..EExtended strand (participates in β ladder)trans-99.8105.3165.9-174.9175-177.6172.60108.9T194 S195 C196 T271T194-K302 PolarHBondContact O-N 3.35Å; S195-K302 CarbonylContact C-O 3.41Å; S195-K302 WeakPolarHBondContact CA-O 3.18Å; C196-K302 PolarHBondContact N-O 3.4Å; T271-K302 WeakPolarHBondContact OG1-CA 3.38Å
303L93.5Very high93.1Very high1 Ų151.7 Ų51.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-89133.8177.6-61.3-165.9000110.6C196 I198 F263 T268 P270 T271 F281 L301C196-L303 HydrophobicContact CB-CD2 3.83Å; C196-L303 CarbonylContact O-C 3.46Å; C196-L303 WeakPolarHBondContact O-CA 3.44Å; I198-L303 HydrophobicContact CD1-CB 4.05Å; I198-L303 HydrophobicContact CG1-CB 3.72Å; I198-L303 HydrophobicContact CG1-CD1 4.24Å; I198-L303 HydrophobicContact CG1-CG 4.45Å; F263-L303 HydrophobicContact CD1-CD1 4.4Å; F263-L303 HydrophobicContact CD1-CD2 4.45Å; F263-L303 HydrophobicContact CE1-CD2 3.92Å; F263-L303 HydrophobicContact CE2-CD2 4.1Å; F263-L303 HydrophobicContact CZ-CD2 3.72Å; T268-L303 HydrophobicContact CG2-CD1 4.18Å; P270-L303 CarbonylContact C-O 3.53Å; P270-L303 VanDerWaalsContact CA-O 3.27Å; P270-L303 WeakPolarHBondContact CA-O 3.47Å; T271-L303 PolarHBondContact N-O 2.9Å; T271-L303 PolarHBondContact OG1-N 2.89Å; F281-L303 HydrophobicContact CB-CD1 4.07Å; F281-L303 HydrophobicContact CB-CG 4.16Å; F281-L303 HydrophobicContact CD1-CD1 3.99Å; F281-L303 HydrophobicContact CD2-CB 4.26Å; F281-L303 HydrophobicContact CD2-CD1 3.47Å; F281-L303 VanDerWaalsContact CD2-CD1 3.47Å; F281-L303 HydrophobicContact CD2-CG 3.77Å; F281-L303 HydrophobicContact CE1-CD1 4.34Å; F281-L303 HydrophobicContact CE2-CD1 3.88Å; F281-L303 HydrophobicContact CE2-CG 4.46Å; F281-L303 HydrophobicContact CG-CD1 3.55Å; F281-L303 HydrophobicContact CG-CG 4.03Å; F281-L303 HydrophobicContact CZ-CD1 4.3Å; L301-L303 HydrophobicContact CB-CD2 4.21Å; L301-L303 HydrophobicContact CD1-CD2 4.46Å
304C91.2Very high93.2Very high2 Ų251.1 Ų51.11%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-131.8154.9-176.3-65.80000111.1Q155 I159 C196 V197 I198Q155-C304 VanDerWaalsContact OE1-CB 3.31Å; Q155-C304 PolarHBondContact OE1-SG 3.3Å; I159-C304 HydrophobicContact CD1-CB 3.4Å; I159-C304 HydrophobicContact CG1-CB 4.18Å; C196-C304 PolarHBondContact O-N 2.91Å; V197-C304 WeakPolarHBondContact CA-O 3.49Å; I198-C304 WeakPolarHBondContact CG1-O 3.46Å; I198-C304 PolarHBondContact N-O 3.23Å
305R88.4Confident93.3Very high49 Ų4946.1 Ų46.119%0.18524%0.244CC..  trans-114.5126.3170.2-174.5175.3-68.1-753.4108.5E116 Q155 P270E116-R305 IonicContact OE1-CZ 3.93Å; E116-R305 IonicContact OE1-NE 2.86Å; E116-R305 PolarHBondContact OE1-NE 3.12Å; E116-R305 IonicContact OE1-NH2 3.86Å; E116-R305 PolarHBondContact OE1-NH2 2.69Å; E116-R305 IonicContact OE2-CZ 3.56Å; E116-R305 IonicContact OE2-NE 3.82Å; E116-R305 PolarHBondContact OE2-NE 3.3Å; E116-R305 IonicContact OE2-NH2 3.47Å; Q155-R305 PolarHBondContact N-O 3.12Å; P270-R305 HydrophobicContact CG-CB 3.9Å
306V83.8Confident93.2Very high107 Ų10750.1 Ų50.165%0.64827%0.266SS*.  trans-120.20177.6-64.50000111.2P154 I159 V197P154-V306 WeakPolarHBondContact CB-OXT 3.46Å; I159-V306 HydrophobicContact CD1-CG1 3.32Å; I159-V306 HydrophobicContact CG1-CG1 4.06Å; V197-V306 HydrophobicContact CB-CG2 4.43Å; V197-V306 HydrophobicContact CG1-CG2 3.7Å; V197-V306 HydrophobicContact CG2-CG1 4.33Å; V197-V306 HydrophobicContact CG2-CG2 3.77Å

Retrieved 306 of 306 residues in 154.5 ms (Link to these results)