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Gamma-aminobutyric acid receptor-associated protein-like 2

Ubiquitin-like modifier involved in intra-Golgi traffic. Modulates intra-Golgi transport through coupling between NSF activity and SNAREs activation. It first stimulates the ATPase activity of NSF which in turn stimulates the association with GOSR1. Involved in autophagy. Plays a role in mitophagy which contributes to regulate mitochondrial quantity and quality by eliminating the mitochondria to a basal level to fulfill cellular energy requirements and preventing excess ROS production. Whereas LC3s are involved in elongation of the phagophore membrane, the GABARAP/GATE-16 subfamily is essential for a later stage in autophagosome maturation.

AlphaFold DB , UniProt , Accession A0A093HXM7, Species STRCA (Struthio camelus australis), Gene n/a, Length 106 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
1E53.8Low72.7Confident209 Ų20996 Ų9698%0.97747%0.47SS*.  0-55.30-130166.992.700114.7R3 C4 V5E1-R3 PolarHBondContact O-N 3.46Å; E1-C4 PolarHBondContact O-N 3.28Å; E1-V5 PolarHBondContact O-N 3.46Å
2H69.2Low73.4Confident163 Ų16395.3 Ų95.376%0.75549%0.491SS*.Hα-helixtrans-56.2-41.4-178-98.7127.8000114.9V5 E6H2-V5 PolarHBondContact O-N 2.93Å; H2-E6 WeakPolarHBondContact O-CG 3.43Å; H2-E6 PolarHBondContact O-N 3.07Å
3R73.2Confident74.4Confident101 Ų10199.1 Ų99.138%0.38150%0.502SS..Hα-helixtrans-67.5-41-175.5-63.7-177.466.7134.89.2113.5E1 V5 E6 S7 D91 F93 Y95E1-R3 PolarHBondContact O-N 3.46Å; R3-V5 VanDerWaalsContact C-N 3.32Å; R3-V5 PolarHBondContact O-N 3.33Å; R3-E6 PolarHBondContact O-N 3.44Å; R3-S7 PolarHBondContact O-N 3.26Å; R3-S7 PolarHBondContact O-OG 2.93Å; R3-D91 HydrophobicContact CB-CB 4.06Å; R3-D91 IonicContact CZ-OD2 3.22Å; R3-D91 IonicContact NE-OD2 2.76Å; R3-D91 PolarHBondContact NE-OD2 3.45Å; R3-D91 IonicContact NH2-OD2 3.14Å; R3-D91 PolarHBondContact NH2-OD2 3.34Å; R3-D91 VanDerWaalsContact NH2-OD2 3.14Å; R3-F93 HydrophobicContact CB-CE2 4.47Å; R3-Y95 PolarHBondContact NH2-OH 3.14Å
4C70.6Confident75.4Confident62 Ų6298.6 Ų98.642%0.41949%0.492SS..Hα-helixtrans-63-38.6176.4-54.40000111.9E1 S7 A8E1-C4 PolarHBondContact O-N 3.28Å; C4-S7 PolarHBondContact O-OG 3.25Å; C4-S7 VanDerWaalsContact O-OG 3.08Å; C4-A8 VanDerWaalsContact O-CB 3.26Å; C4-A8 WeakPolarHBondContact O-CB 3.39Å; C4-A8 PolarHBondContact O-N 3.38Å; C4-A8 VanDerWaalsContact O-N 3.12Å
5V75.6Confident76.1Confident69 Ų6997.7 Ų97.742%0.41850%0.496SS..Hα-helixtrans-70.5-38.5177177.80000110.9E1 H2 R3 K9E1-V5 PolarHBondContact O-N 3.46Å; H2-V5 PolarHBondContact O-N 2.93Å; R3-V5 VanDerWaalsContact C-N 3.32Å; R3-V5 PolarHBondContact O-N 3.33Å; V5-K9 HydrophobicContact CG1-CD 4.09Å; V5-K9 WeakPolarHBondContact O-CB 3.42Å; V5-K9 VanDerWaalsContact O-CG 3.29Å; V5-K9 WeakPolarHBondContact O-CG 3.29Å; V5-K9 PolarHBondContact O-N 3.02Å
6E74.9Confident77.1Confident82 Ų8299.1 Ų99.138%0.38351%0.505SS..Hα-helixtrans-64-50.1175.8-76.7-169.6105.600112.2H2 R3 A8 K9 I10H2-E6 WeakPolarHBondContact O-CG 3.43Å; H2-E6 PolarHBondContact O-N 3.07Å; R3-E6 PolarHBondContact O-N 3.44Å; E6-A8 VanDerWaalsContact C-N 3.35Å; E6-A8 PolarHBondContact O-N 2.97Å; E6-K9 PolarHBondContact O-N 3.45Å; E6-I10 WeakPolarHBondContact O-CB 3.47Å; E6-I10 VanDerWaalsContact O-CG1 3.23Å; E6-I10 WeakPolarHBondContact O-CG1 3.46Å; E6-I10 PolarHBondContact O-N 3.38Å
7S69.9Low78.1Confident8 Ų899.9 Ų99.96%0.05650%0.5CS..Hα-helixtrans-62-42.5179.659.90000111.6R3 C4 I10 R11 D91 G92R3-S7 PolarHBondContact O-N 3.26Å; R3-S7 PolarHBondContact O-OG 2.93Å; C4-S7 PolarHBondContact O-OG 3.25Å; C4-S7 VanDerWaalsContact O-OG 3.08Å; S7-I10 PolarHBondContact O-N 3.24Å; S7-R11 WeakPolarHBondContact O-CB 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.23Å; S7-R11 PolarHBondContact O-N 3.44Å; S7-D91 VanDerWaalsContact CB-O 3.31Å; S7-D91 WeakPolarHBondContact CB-O 3.49Å; S7-D91 PolarHBondContact OG-O 2.89Å; S7-G92 WeakPolarHBondContact CB-O 3.43Å
8A75.1Confident79Confident60 Ų6094.6 Ų94.650%0.49647%0.474SS..Hα-helixtrans-61-46.2176.600000112.4C4 E6 R11 A12C4-A8 VanDerWaalsContact O-CB 3.26Å; C4-A8 WeakPolarHBondContact O-CB 3.39Å; C4-A8 PolarHBondContact O-N 3.38Å; C4-A8 VanDerWaalsContact O-N 3.12Å; E6-A8 VanDerWaalsContact C-N 3.35Å; E6-A8 PolarHBondContact O-N 2.97Å; A8-R11 PolarHBondContact O-N 3.12Å; A8-A12 WeakPolarHBondContact O-CB 3.39Å; A8-A12 PolarHBondContact O-N 3.08Å
9K79.8Confident79.9Confident145 Ų14589.7 Ų89.763%0.6345%0.45SS*.Hα-helixtrans-63.3-42.6176.4-76.1175.2-178.6175.70112.1V5 E6 A12 K13V5-K9 HydrophobicContact CG1-CD 4.09Å; V5-K9 WeakPolarHBondContact O-CB 3.42Å; V5-K9 VanDerWaalsContact O-CG 3.29Å; V5-K9 WeakPolarHBondContact O-CG 3.29Å; V5-K9 PolarHBondContact O-N 3.02Å; E6-K9 PolarHBondContact O-N 3.45Å; K9-A12 PolarHBondContact O-N 2.84Å; K9-K13 WeakPolarHBondContact O-CB 3.44Å; K9-K13 PolarHBondContact O-N 3.38Å
10I80Confident80.8Confident48 Ų4885.3 Ų85.325%0.24643%0.427CS..Hα-helixtrans-65-43.1180-72.5168.2000110.6E6 S7 K13 Y14 L39E6-I10 WeakPolarHBondContact O-CB 3.47Å; E6-I10 VanDerWaalsContact O-CG1 3.23Å; E6-I10 WeakPolarHBondContact O-CG1 3.46Å; E6-I10 PolarHBondContact O-N 3.38Å; S7-I10 PolarHBondContact O-N 3.24Å; I10-K13 PolarHBondContact O-N 3.05Å; I10-Y14 HydrophobicContact CG2-CD2 4.32Å; I10-Y14 WeakPolarHBondContact O-CD2 3.34Å; I10-Y14 PolarHBondContact O-N 2.73Å; I10-L39 HydrophobicContact CG2-CD1 4.1Å; I10-L39 HydrophobicContact CG2-CD2 3.33Å; I10-L39 HydrophobicContact CG2-CG 4.19Å
11R78Confident81.5Confident109 Ų10981.6 Ų81.641%0.41141%0.409SS..Hα-helixtrans-68-37.9176.9-75.3-164.566.5-139.9-0.6113.1S7 A8 K13 Y14 P15 P19 Y84S7-R11 WeakPolarHBondContact O-CB 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.23Å; S7-R11 PolarHBondContact O-N 3.44Å; A8-R11 PolarHBondContact O-N 3.12Å; R11-K13 PolarHBondContact O-N 2.9Å; R11-Y14 CarbonylContact O-C 3.49Å; R11-Y14 VanDerWaalsContact O-C 3.25Å; R11-Y14 PolarHBondContact O-N 2.68Å; R11-P15 VanDerWaalsContact O-CA 3.28Å; R11-P15 WeakPolarHBondContact O-CA 3.31Å; R11-P15 VanDerWaalsContact O-N 3.16Å; R11-P19 HydrophobicContact CG-CG 4.34Å; R11-Y84 WeakPolarHBondContact CD-OH 3.47Å
12A80.4Confident83.6Confident87 Ų8771.7 Ų71.772%0.71936%0.363SS*.Hα-helixtrans-62.2-35173.200000111.7A8 K9A8-A12 WeakPolarHBondContact O-CB 3.39Å; A8-A12 PolarHBondContact O-N 3.08Å; K9-A12 PolarHBondContact O-N 2.84Å
13K86.9Confident84.8Confident145 Ų14567.6 Ų67.663%0.6334%0.344SS*.Hα-helixtrans-79.6-31.3178.7-168.4175.3-179.5-172.80113.4K9 I10 R11K9-K13 WeakPolarHBondContact O-CB 3.44Å; K9-K13 PolarHBondContact O-N 3.38Å; I10-K13 PolarHBondContact O-N 3.05Å; R11-K13 PolarHBondContact O-N 2.9Å
14Y87.9Confident85.8Confident92 Ų9265.5 Ų65.536%0.36134%0.338SS..  trans-134.875.6-177.3-54.8-72.9000109.8I10 R11 D16 R17 L39I10-Y14 HydrophobicContact CG2-CD2 4.32Å; I10-Y14 WeakPolarHBondContact O-CD2 3.34Å; I10-Y14 PolarHBondContact O-N 2.73Å; R11-Y14 CarbonylContact O-C 3.49Å; R11-Y14 VanDerWaalsContact O-C 3.25Å; R11-Y14 PolarHBondContact O-N 2.68Å; Y14-D16 VanDerWaalsContact C-N 3.26Å; Y14-D16 PolarHBondContact O-N 3.14Å; Y14-R17 PolarHBondContact O-N 2.76Å; Y14-R17 VanDerWaalsContact O-N 3.1Å; Y14-L39 HydrophobicContact CD2-CD1 3.8Å; Y14-L39 HydrophobicContact CE2-CD1 3.99Å; Y14-L39 HydrophobicContact CG-CD1 4.46Å
15P86.7Confident86.8Confident86 Ų8663.2 Ų63.256%0.55832%0.322SS*.THydrogen-bonded Turntrans-63-32.8-173.323.7-33.5000112.9R11 R17R11-P15 VanDerWaalsContact O-CA 3.28Å; R11-P15 WeakPolarHBondContact O-CA 3.31Å; R11-P15 VanDerWaalsContact O-N 3.16Å; P15-R17 PolarHBondContact O-N 2.85Å
16D91.4Very high87.4Confident119 Ų11965.6 Ų65.664%0.63634%0.341SS*.THydrogen-bonded Turntrans-85.712-179.9-48.9-55.2000113.2Y14 S42Y14-D16 VanDerWaalsContact C-N 3.26Å; Y14-D16 PolarHBondContact O-N 3.14Å; D16-S42 PolarHBondContact O-N 3.28Å; D16-S42 PolarHBondContact O-OG 3Å
17R94.4Very high87.9Confident113 Ų11364.8 Ų64.843%0.42636%0.355SS..EExtended strand (participates in β ladder)trans-124.4143.3-179.5-60.7-164.8-179.2-144.93.5112.7Y14 P15 L39 V40Y14-R17 PolarHBondContact O-N 2.76Å; Y14-R17 VanDerWaalsContact O-N 3.1Å; P15-R17 PolarHBondContact O-N 2.85Å; R17-L39 HydrophobicContact CB-CD2 4.11Å; R17-L39 PolarHBondContact NH1-O 2.8Å; R17-V40 CarbonylContact C-O 3.58Å; R17-V40 VanDerWaalsContact CA-O 3.27Å; R17-V40 WeakPolarHBondContact CA-O 3.4Å
18V95.1Very high88.8Confident5 Ų564.6 Ų64.63%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-98.8123.6177.5179.40000109V20 V40 Y84 L94V18-V20 HydrophobicContact CB-CG2 4.27Å; V18-V20 HydrophobicContact CG1-CG2 3.65Å; V18-V20 PolarHBondContact O-N 2.65Å; V18-V40 PolarHBondContact N-O 3.4Å; V18-V40 PolarHBondContact O-N 2.97Å; V18-Y84 HydrophobicContact CG1-CD2 3.35Å; V18-Y84 HydrophobicContact CG1-CE2 4.18Å; V18-Y84 HydrophobicContact CG1-CG 3.61Å; V18-Y84 HydrophobicContact CG2-CG 4.32Å; V18-L94 HydrophobicContact CG1-CB 4.47Å
19P96.1Very high89.5Confident2 Ų270.4 Ų70.41%0.01337%0.371CS..EExtended strand (participates in β ladder)trans-76.5116.8169.632.1-33.7000109.9R11 L39 Y84 G92 F93 L94R11-P19 HydrophobicContact CG-CG 4.34Å; P19-L39 HydrophobicContact CB-CD2 4.4Å; P19-Y84 HydrophobicContact CG-CE2 4.08Å; P19-G92 WeakPolarHBondContact CG-O 3.44Å; P19-F93 HydrophobicContact CB-CD1 3.67Å; P19-F93 HydrophobicContact CB-CE1 3.78Å; P19-F93 HydrophobicContact CB-CG 4.47Å; P19-F93 HydrophobicContact CG-CD1 4.4Å; P19-L94 PolarHBondContact O-N 3.32Å
20V96.6Very high90.1Very high0 Ų064.1 Ų64.10%034%0.344CS..EExtended strand (participates in β ladder)trans-120.8132.9-176.2-172.40000110.2V18 V22 Y38 V40 F49 M80 L94 V96V18-V20 HydrophobicContact CB-CG2 4.27Å; V18-V20 HydrophobicContact CG1-CG2 3.65Å; V18-V20 PolarHBondContact O-N 2.65Å; V20-V22 HydrophobicContact CG1-CG2 3.94Å; V20-Y38 PolarHBondContact N-O 3.33Å; V20-Y38 PolarHBondContact O-N 3.17Å; V20-V40 HydrophobicContact CB-CG2 4.07Å; V20-V40 HydrophobicContact CG2-CB 4.14Å; V20-V40 HydrophobicContact CG2-CG2 3.6Å; V20-F49 HydrophobicContact CG1-CE1 4.24Å; V20-F49 HydrophobicContact CG1-CZ 3.96Å; V20-M80 HydrophobicContact CG2-CE 3.9Å; V20-L94 CarbonylContact C-O 3.6Å; V20-L94 WeakPolarHBondContact CA-O 3.36Å; V20-L94 HydrophobicContact CG2-CB 4.44Å; V20-L94 HydrophobicContact CG2-CD2 4.3Å; V20-V96 HydrophobicContact CG1-CB 4.24Å; V20-V96 HydrophobicContact CG1-CG2 3.61Å
21I96.3Very high90.7Very high9 Ų965.7 Ų65.75%0.04636%0.356CS..EExtended strand (participates in β ladder)trans-102120.4169.6-55.6-63000107.8E23 R36 K37 F93 L94 Y95 V96I21-E23 HydrophobicContact CG2-CG 4.01Å; I21-R36 CarbonylContact C-O 3.53Å; I21-R36 WeakPolarHBondContact CA-O 3.35Å; I21-K37 HydrophobicContact CD1-CB 4.28Å; I21-K37 HydrophobicContact CD1-CD 4.14Å; I21-K37 HydrophobicContact CD1-CG 3.64Å; I21-F93 HydrophobicContact CD1-CD1 3.66Å; I21-F93 HydrophobicContact CD1-CE1 4.02Å; I21-F93 HydrophobicContact CD1-CG 4.3Å; I21-F93 HydrophobicContact CG1-CB 3.9Å; I21-F93 HydrophobicContact CG1-CD1 3.71Å; I21-F93 HydrophobicContact CG1-CG 3.97Å; I21-L94 PolarHBondContact N-O 3.04Å; I21-Y95 HydrophobicContact CB-CD1 3.92Å; I21-Y95 HydrophobicContact CB-CE1 4.14Å; I21-Y95 HydrophobicContact CB-CG 4.46Å; I21-Y95 HydrophobicContact CG1-CD1 4.45Å; I21-Y95 HydrophobicContact CG1-CE1 4.23Å; I21-Y95 HydrophobicContact CG2-CD1 4.03Å; I21-Y95 HydrophobicContact CG2-CE1 4.12Å; I21-V96 PolarHBondContact O-N 3.19Å
22V96.6Very high91.4Very high0 Ų065 Ų650%036%0.36CS..EExtended strand (participates in β ladder)trans-111.5122.3-178.2-177.10000109.5V20 I33 R36 Y38 F49 I53 V96 Y98V20-V22 HydrophobicContact CG1-CG2 3.94Å; V22-I33 HydrophobicContact CG1-CD1 4.06Å; V22-R36 PolarHBondContact N-O 2.94Å; V22-R36 WeakPolarHBondContact O-CB 3.27Å; V22-R36 WeakPolarHBondContact O-CG 3.39Å; V22-Y38 HydrophobicContact CB-CD2 4.1Å; V22-Y38 HydrophobicContact CB-CE2 4Å; V22-Y38 HydrophobicContact CG2-CD2 3.56Å; V22-Y38 HydrophobicContact CG2-CE2 3.88Å; V22-F49 HydrophobicContact CG2-CE1 4.25Å; V22-F49 HydrophobicContact CG2-CZ 3.7Å; V22-I53 HydrophobicContact CG1-CD1 4.11Å; V22-I53 HydrophobicContact CG2-CD1 4.1Å; V22-V96 VanDerWaalsContact CA-O 3.29Å; V22-V96 WeakPolarHBondContact CA-O 3.48Å; V22-Y98 HydrophobicContact CG1-CD1 3.68Å; V22-Y98 HydrophobicContact CG1-CE1 4.02Å
23E94.5Very high92Very high77 Ų7761.7 Ų61.736%0.3633%0.33SS..EExtended strand (participates in β ladder)trans-131.8147.7-178.8-56.9-159.5107.600112I21 R36 V96 A97 Y98I21-E23 HydrophobicContact CG2-CG 4.01Å; E23-R36 IonicContact OE1-CZ 4Å; E23-R36 IonicContact OE1-NH1 3.01Å; E23-R36 PolarHBondContact OE1-NH1 2.75Å; E23-V96 PolarHBondContact N-O 3.48Å; E23-A97 CarbonylContact O-C 3.52Å; E23-A97 WeakPolarHBondContact O-CA 3.32Å; E23-Y98 WeakPolarHBondContact O-CD1 3.34Å; E23-Y98 PolarHBondContact O-N 3.25Å
24K94.3Very high92Very high57 Ų5759.6 Ų59.625%0.24833%0.326CS..EExtended strand (participates in β ladder)trans-77.6136.9173.4-169.3178.468.61770109.4S26 I30 D32 Y98K24-S26 PolarHBondContact O-N 2.77Å; K24-I30 HydrophobicContact CD-CG2 3.68Å; K24-I30 WeakPolarHBondContact CD-O 3.33Å; K24-I30 HydrophobicContact CG-CG2 3.74Å; K24-I30 PolarHBondContact NZ-O 2.89Å; K24-D32 WeakPolarHBondContact CE-OD1 3.21Å; K24-D32 VanDerWaalsContact NZ-CG 3.26Å; K24-D32 IonicContact NZ-OD1 3.17Å; K24-D32 PolarHBondContact NZ-OD1 2.89Å; K24-D32 IonicContact NZ-OD2 2.75Å; K24-D32 PolarHBondContact NZ-OD2 2.94Å; K24-Y98 HydrophobicContact CB-CE1 3.88Å; K24-Y98 HydrophobicContact CB-CE2 4.28Å; K24-Y98 HydrophobicContact CG-CE2 4.08Å
25V92.4Very high92.2Very high15 Ų1561.3 Ų61.39%0.09134%0.335CS..PPolyproline II helixtrans-61.9132.3170.2175.80000109.7G27 S28 F68 A97 Y98 F104V25-G27 PolarHBondContact O-N 2.93Å; V25-S28 VanDerWaalsContact O-CB 3.22Å; V25-S28 WeakPolarHBondContact O-CB 3Å; V25-S28 PolarHBondContact O-N 3.45Å; V25-S28 VanDerWaalsContact O-N 3.15Å; V25-F68 HydrophobicContact CG2-CD2 4.36Å; V25-A97 HydrophobicContact CG2-CB 3.79Å; V25-Y98 PolarHBondContact N-O 2.83Å; V25-F104 HydrophobicContact CG2-CE2 4.16Å; V25-F104 HydrophobicContact CG2-CZ 4.5Å
26S88.4Confident92.5Very high118 Ų11863.9 Ų63.983%0.82533%0.334SS*.THydrogen-bonded Turntrans-54.9135.4176.5-64.40000111.6K24 S28K24-S26 PolarHBondContact O-N 2.77Å; S26-S28 PolarHBondContact O-N 3.1Å
27G85.9Confident92.7Very high65 Ų6564.2 Ų64.267%0.6733%0.329SS*.THydrogen-bonded Turntrans82.2-13.7-178.800000115.2V25 Q29V25-G27 PolarHBondContact O-N 2.93Å; G27-Q29 PolarHBondContact O-N 3.01Å; G27-Q29 PolarHBondContact O-NE2 2.81Å; G27-Q29 VanDerWaalsContact O-NE2 3.09Å
28S89Confident92.7Very high5 Ų560.3 Ų60.34%0.03532%0.315CS..  trans-66132.7177.5-162.90000111.6V25 S26 I30 S99 G100V25-S28 VanDerWaalsContact O-CB 3.22Å; V25-S28 WeakPolarHBondContact O-CB 3Å; V25-S28 PolarHBondContact O-N 3.45Å; V25-S28 VanDerWaalsContact O-N 3.15Å; S26-S28 PolarHBondContact O-N 3.1Å; S28-I30 PolarHBondContact O-N 3Å; S28-I30 WeakPolarHBondContact OG-CG2 3.27Å; S28-S99 PolarHBondContact OG-OG 3.31Å; S28-G100 PolarHBondContact OG-N 3.29Å
29Q88.4Confident92.7Very high181 Ų18163 Ų6385%0.84633%0.329SS*.  trans-80.44.5178.4-58.4-57.1-59.900113.2G27G27-Q29 PolarHBondContact O-N 3.01Å; G27-Q29 PolarHBondContact O-NE2 2.81Å; G27-Q29 VanDerWaalsContact O-NE2 3.09Å
30I92.4Very high92.7Very high14 Ų1463.2 Ų63.27%0.07233%0.33CS..SBendtrans-72.5152.7175.5-161.3162.7000110.9K24 S28 I57 L59 I65 Y98K24-I30 HydrophobicContact CD-CG2 3.68Å; K24-I30 WeakPolarHBondContact CD-O 3.33Å; K24-I30 HydrophobicContact CG-CG2 3.74Å; K24-I30 PolarHBondContact NZ-O 2.89Å; S28-I30 PolarHBondContact O-N 3Å; S28-I30 WeakPolarHBondContact OG-CG2 3.27Å; I30-I57 HydrophobicContact CD1-CD1 3.72Å; I30-I57 HydrophobicContact CG1-CD1 3.73Å; I30-L59 HydrophobicContact CD1-CD1 4.18Å; I30-L59 HydrophobicContact CD1-CD2 3.92Å; I30-L59 HydrophobicContact CG1-CD1 4.03Å; I30-I65 HydrophobicContact CD1-CB 4.13Å; I30-I65 HydrophobicContact CD1-CD1 4.15Å; I30-I65 HydrophobicContact CD1-CG1 3.89Å; I30-Y98 HydrophobicContact CD1-CD2 4.15Å; I30-Y98 HydrophobicContact CD1-CE2 4.36Å; I30-Y98 HydrophobicContact CG1-CE2 4.32Å; I30-Y98 HydrophobicContact CG2-CD2 3.86Å; I30-Y98 HydrophobicContact CG2-CE2 3.58Å
31V93.1Very high92.7Very high81 Ų8165.4 Ų65.449%0.49134%0.344SS..PPolyproline II helixtrans-65.9142.1-177.4-175.50000110.7I57 Y98V31-I57 HydrophobicContact CB-CB 4.39Å; V31-Y98 WeakPolarHBondContact O-CE2 3.28Å; V31-Y98 PolarHBondContact O-OH 3.12Å
32D92.1Very high92.7Very high95 Ų9566.9 Ų66.951%0.50836%0.355SS..PPolyproline II helixtrans-70.1145.5175.3-72.2-77.6000112.4K24 Y98K24-D32 WeakPolarHBondContact CE-OD1 3.21Å; K24-D32 VanDerWaalsContact NZ-CG 3.26Å; K24-D32 IonicContact NZ-OD1 3.17Å; K24-D32 PolarHBondContact NZ-OD1 2.89Å; K24-D32 IonicContact NZ-OD2 2.75Å; K24-D32 PolarHBondContact NZ-OD2 2.94Å; D32-Y98 WeakPolarHBondContact CA-OH 3.34Å
33I93.1Very high92.7Very high16 Ų1672.4 Ų72.48%0.08239%0.385CS..PPolyproline II helixtrans-87.2138.9176.9-159.7164.9000110.7V22 K35 R36 Y38 I53 R56 I57 Y98V22-I33 HydrophobicContact CG1-CD1 4.06Å; I33-K35 PolarHBondContact O-N 3.41Å; I33-R36 HydrophobicContact CG2-CG 4.33Å; I33-Y38 HydrophobicContact CD1-CE2 3.82Å; I33-Y38 WeakPolarHBondContact CD1-OH 3.03Å; I33-Y38 VanDerWaalsContact CG1-OH 3.27Å; I33-Y38 WeakPolarHBondContact CG1-OH 3.37Å; I33-I53 HydrophobicContact CD1-CD1 3.87Å; I33-I53 HydrophobicContact CD1-CG2 4.2Å; I33-R56 HydrophobicContact CD1-CB 4.31Å; I33-R56 HydrophobicContact CG1-CB 4.38Å; I33-I57 HydrophobicContact CB-CG2 3.86Å; I33-I57 HydrophobicContact CD1-CG2 4.37Å; I33-I57 HydrophobicContact CG1-CG2 3.97Å; I33-Y98 HydrophobicContact CB-CE1 4.2Å; I33-Y98 HydrophobicContact CG2-CE1 4.02Å; I33-Y98 PolarHBondContact N-OH 3.41Å
34D88.1Confident92.8Very high101 Ų10169.9 Ų69.954%0.5437%0.374SS..SBendtrans-66.9-37.7-175.569.8-66.6000112.7
35K91.3Very high93Very high128 Ų12868.9 Ų68.956%0.55737%0.372SS*.  trans-127135.6-179.1-74.2171-168.7-173.30108.9I33 Y38I33-K35 PolarHBondContact O-N 3.41Å; K35-Y38 WeakPolarHBondContact O-CE2 3.14Å; K35-Y38 VanDerWaalsContact O-CZ 3.26Å; K35-Y38 PolarHBondContact O-OH 2.94Å
36R93.5Very high93.3Very high140 Ų14068.4 Ų68.453%0.52837%0.37SS..  trans-96.8-25.2179.3-59.3-175.5-172.7-174.24.5113.1I21 V22 E23 I33I21-R36 CarbonylContact C-O 3.53Å; I21-R36 WeakPolarHBondContact CA-O 3.35Å; V22-R36 PolarHBondContact N-O 2.94Å; V22-R36 WeakPolarHBondContact O-CB 3.27Å; V22-R36 WeakPolarHBondContact O-CG 3.39Å; E23-R36 IonicContact OE1-CZ 4Å; E23-R36 IonicContact OE1-NH1 3.01Å; E23-R36 PolarHBondContact OE1-NH1 2.75Å; I33-R36 HydrophobicContact CG2-CG 4.33Å
37K94.2Very high93.7Very high126 Ų12664.9 Ų64.955%0.54835%0.348SS..EExtended strand (participates in β ladder)trans-96.6123.9-177.9-53.7-164.6178.4-179.50110.7I21I21-K37 HydrophobicContact CD1-CB 4.28Å; I21-K37 HydrophobicContact CD1-CD 4.14Å; I21-K37 HydrophobicContact CD1-CG 3.64Å
38Y94.7Very high94.2Very high32 Ų3266.5 Ų66.513%0.12534%0.338CS..EExtended strand (participates in β ladder)trans-125.6148.2179.4-68.8-88000112V20 V22 I33 K35 I53V20-Y38 PolarHBondContact N-O 3.33Å; V20-Y38 PolarHBondContact O-N 3.17Å; V22-Y38 HydrophobicContact CB-CD2 4.1Å; V22-Y38 HydrophobicContact CB-CE2 4Å; V22-Y38 HydrophobicContact CG2-CD2 3.56Å; V22-Y38 HydrophobicContact CG2-CE2 3.88Å; I33-Y38 HydrophobicContact CD1-CE2 3.82Å; I33-Y38 WeakPolarHBondContact CD1-OH 3.03Å; I33-Y38 VanDerWaalsContact CG1-OH 3.27Å; I33-Y38 WeakPolarHBondContact CG1-OH 3.37Å; K35-Y38 WeakPolarHBondContact O-CE2 3.14Å; K35-Y38 VanDerWaalsContact O-CZ 3.26Å; K35-Y38 PolarHBondContact O-OH 2.94Å; Y38-I53 HydrophobicContact CE2-CD1 4.4Å
39L95Very high94.6Very high61 Ų6166.4 Ų66.432%0.31934%0.337SS..EExtended strand (participates in β ladder)trans-111.998166.9-85.6174000108.8I10 Y14 R17 P19I10-L39 HydrophobicContact CG2-CD1 4.1Å; I10-L39 HydrophobicContact CG2-CD2 3.33Å; I10-L39 HydrophobicContact CG2-CG 4.19Å; Y14-L39 HydrophobicContact CD2-CD1 3.8Å; Y14-L39 HydrophobicContact CE2-CD1 3.99Å; Y14-L39 HydrophobicContact CG-CD1 4.46Å; R17-L39 HydrophobicContact CB-CD2 4.11Å; R17-L39 PolarHBondContact NH1-O 2.8Å; P19-L39 HydrophobicContact CB-CD2 4.4Å
40V96.1Very high95Very high7 Ų760.3 Ų60.34%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-98.4133.5-169.7-170.80000109.5R17 V18 V20 I44 F49 M80R17-V40 CarbonylContact C-O 3.58Å; R17-V40 VanDerWaalsContact CA-O 3.27Å; R17-V40 WeakPolarHBondContact CA-O 3.4Å; V18-V40 PolarHBondContact N-O 3.4Å; V18-V40 PolarHBondContact O-N 2.97Å; V20-V40 HydrophobicContact CB-CG2 4.07Å; V20-V40 HydrophobicContact CG2-CB 4.14Å; V20-V40 HydrophobicContact CG2-CG2 3.6Å; V40-I44 HydrophobicContact CG1-CD1 3.36Å; V40-I44 HydrophobicContact CG1-CG1 3.8Å; V40-F49 HydrophobicContact CB-CE2 4.47Å; V40-F49 HydrophobicContact CG1-CD2 3.8Å; V40-F49 HydrophobicContact CG1-CE2 4.16Å; V40-F49 HydrophobicContact CG2-CD2 3.98Å; V40-F49 HydrophobicContact CG2-CE2 3.44Å; V40-F49 VanDerWaalsContact CG2-CE2 3.44Å; V40-F49 HydrophobicContact CG2-CZ 4.13Å; V40-M80 HydrophobicContact CG1-CB 4.26Å; V40-M80 HydrophobicContact CG1-CE 4.5Å; V40-M80 HydrophobicContact CG1-CG 3.9Å
41P97.2Very high95.1Very high46 Ų4666.5 Ų66.530%0.29933%0.331SS..EExtended strand (participates in β ladder)trans-56.4140.4172.3-22.833.9000111.4D43 I44P41-D43 VanDerWaalsContact C-N 3.27Å; P41-D43 WeakPolarHBondContact CB-OD1 3.11Å; P41-D43 PolarHBondContact O-N 2.75Å; P41-I44 HydrophobicContact CB-CG2 4.17Å; P41-I44 HydrophobicContact CG-CG2 4.44Å
42S96.9Very high95.2Very high39 Ų3965.5 Ų65.527%0.27332%0.322SS..THydrogen-bonded Turntrans-70-23.3-176.455.90000113.7D16 T79 G81D16-S42 PolarHBondContact O-N 3.28Å; D16-S42 PolarHBondContact O-OG 3Å; S42-T79 WeakPolarHBondContact O-CB 3.45Å; S42-G81 PolarHBondContact O-N 2.92Å
43D95.9Very high95.4Very high116 Ų11661 Ų6162%0.6230%0.298SS*.THydrogen-bonded Turntrans-85.7-19.6-173.163.2-36.9000114.4P41P41-D43 VanDerWaalsContact C-N 3.27Å; P41-D43 WeakPolarHBondContact CB-OD1 3.11Å; P41-D43 PolarHBondContact O-N 2.75Å
44I97.6Very high95.5Very high25 Ų2563.4 Ų63.413%0.12831%0.306CS..SBendtrans-71.6149.4177.772.5167.9000111.1V40 P41 Q48 F49 I52 T79 M80V40-I44 HydrophobicContact CG1-CD1 3.36Å; V40-I44 HydrophobicContact CG1-CG1 3.8Å; P41-I44 HydrophobicContact CB-CG2 4.17Å; P41-I44 HydrophobicContact CG-CG2 4.44Å; I44-Q48 VanDerWaalsContact CA-OE1 3.3Å; I44-Q48 HydrophobicContact CB-CB 4.27Å; I44-F49 HydrophobicContact CD1-CB 4.12Å; I44-F49 HydrophobicContact CD1-CD2 4.38Å; I44-I52 HydrophobicContact CD1-CD1 3.76Å; I44-T79 CarbonylContact O-C 3.25Å; I44-T79 VanDerWaalsContact O-CA 3.29Å; I44-T79 WeakPolarHBondContact O-CA 3.34Å; I44-M80 HydrophobicContact CD1-CG 4.34Å; I44-M80 HydrophobicContact CG1-CB 4.43Å; I44-M80 HydrophobicContact CG1-CG 3.76Å; I44-M80 PolarHBondContact O-N 3.47Å
45T98.3Very high95.8Very high36 Ų3664.7 Ų64.722%0.22131%0.307CS..BIsolated β-bridgetrans-81160.3177.969.60000112.5A47 Q48 F49 L78T45-A47 PolarHBondContact O-N 2.9Å; T45-Q48 WeakPolarHBondContact O-CB 3.07Å; T45-Q48 PolarHBondContact O-N 2.85Å; T45-Q48 VanDerWaalsContact O-N 3.09Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.19Å; T45-Q48 PolarHBondContact OG1-N 2.95Å; T45-F49 PolarHBondContact O-N 2.85Å; T45-L78 CarbonylContact C-O 3.48Å; T45-L78 VanDerWaalsContact CA-O 3.22Å; T45-L78 WeakPolarHBondContact CA-O 3.14Å
46V97.4Very high96Very high5 Ų564.9 Ų64.93%0.0330%0.304CS..Hα-helixtrans-54.3-40170.6171.50000111.1Q48 F49 M50 P74 L78 M80 L83V46-Q48 PolarHBondContact O-N 2.83Å; V46-F49 PolarHBondContact O-N 3.05Å; V46-M50 WeakPolarHBondContact O-CB 3.29Å; V46-M50 PolarHBondContact O-N 3.22Å; V46-P74 HydrophobicContact CG1-CB 4.35Å; V46-P74 HydrophobicContact CG1-CG 3.83Å; V46-P74 HydrophobicContact CG2-CB 4.46Å; V46-L78 HydrophobicContact CG2-CB 4.29Å; V46-L78 WeakPolarHBondContact CG2-O 3.21Å; V46-L78 PolarHBondContact N-O 3.23Å; V46-M80 HydrophobicContact CG2-SD 4.19Å; V46-L83 HydrophobicContact CG2-CD2 3.67Å
47A97.1Very high96Very high44 Ų4458.6 Ų58.636%0.36428%0.281SS..Hα-helixtrans-62-42.8175.900000112.7T45 M50 W51 S76T45-A47 PolarHBondContact O-N 2.9Å; A47-M50 PolarHBondContact O-N 2.98Å; A47-W51 PolarHBondContact O-N 3.49Å; A47-S76 PolarHBondContact N-O 3.44Å; A47-S76 VanDerWaalsContact N-O 3.12Å
48Q97.8Very high96.1Very high99 Ų9960.7 Ų60.746%0.46329%0.293SS..Hα-helixtrans-66-40.5175.8-70.8172.7-39.100111.1I44 T45 V46 W51 I52I44-Q48 VanDerWaalsContact CA-OE1 3.3Å; I44-Q48 HydrophobicContact CB-CB 4.27Å; T45-Q48 WeakPolarHBondContact O-CB 3.07Å; T45-Q48 PolarHBondContact O-N 2.85Å; T45-Q48 VanDerWaalsContact O-N 3.09Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.19Å; T45-Q48 PolarHBondContact OG1-N 2.95Å; V46-Q48 PolarHBondContact O-N 2.83Å; Q48-W51 WeakPolarHBondContact O-CB 3.24Å; Q48-W51 PolarHBondContact O-N 2.93Å; Q48-I52 WeakPolarHBondContact O-CG1 3.49Å; Q48-I52 PolarHBondContact O-N 3.42Å
49F97.4Very high96.1Very high3 Ų360 Ų601%0.01329%0.291CS..Hα-helixtrans-62.9-45.2175.7-175.8-117.5000112.2V20 V22 V40 I44 T45 V46 W51 I52 I53 L67 M80 V96V20-F49 HydrophobicContact CG1-CE1 4.24Å; V20-F49 HydrophobicContact CG1-CZ 3.96Å; V22-F49 HydrophobicContact CG2-CE1 4.25Å; V22-F49 HydrophobicContact CG2-CZ 3.7Å; V40-F49 HydrophobicContact CB-CE2 4.47Å; V40-F49 HydrophobicContact CG1-CD2 3.8Å; V40-F49 HydrophobicContact CG1-CE2 4.16Å; V40-F49 HydrophobicContact CG2-CD2 3.98Å; V40-F49 HydrophobicContact CG2-CE2 3.44Å; V40-F49 VanDerWaalsContact CG2-CE2 3.44Å; V40-F49 HydrophobicContact CG2-CZ 4.13Å; I44-F49 HydrophobicContact CD1-CB 4.12Å; I44-F49 HydrophobicContact CD1-CD2 4.38Å; T45-F49 PolarHBondContact O-N 2.85Å; V46-F49 PolarHBondContact O-N 3.05Å; F49-W51 VanDerWaalsContact C-N 3.27Å; F49-W51 PolarHBondContact O-N 3.33Å; F49-I52 WeakPolarHBondContact O-CA 3.3Å; F49-I52 WeakPolarHBondContact O-CB 3.47Å; F49-I52 PolarHBondContact O-N 3.21Å; F49-I53 HydrophobicContact CD1-CG1 4.43Å; F49-I53 HydrophobicContact CE1-CD1 4.34Å; F49-I53 HydrophobicContact CE1-CG1 4.07Å; F49-I53 HydrophobicContact CE2-CD1 3.98Å; F49-I53 HydrophobicContact CE2-CG1 4.29Å; F49-I53 HydrophobicContact CZ-CD1 3.78Å; F49-I53 HydrophobicContact CZ-CG1 4Å; F49-I53 WeakPolarHBondContact O-CG1 3.42Å; F49-I53 PolarHBondContact O-N 3.17Å; F49-L67 HydrophobicContact CD1-CD1 3.94Å; F49-L67 HydrophobicContact CE1-CD1 4.48Å; F49-M80 HydrophobicContact CB-CE 4.47Å; F49-M80 HydrophobicContact CB-CG 4.12Å; F49-M80 HydrophobicContact CB-SD 3.69Å; F49-M80 HydrophobicContact CD1-CE 3.67Å; F49-M80 HydrophobicContact CD1-SD 3.8Å; F49-M80 HydrophobicContact CD2-CE 4.38Å; F49-M80 HydrophobicContact CE1-CE 3.91Å; F49-M80 HydrophobicContact CG-CE 3.92Å; F49-M80 HydrophobicContact CG-CG 4.44Å; F49-M80 HydrophobicContact CG-SD 3.79Å; F49-M80 HydrophobicContact CZ-CE 4.37Å; F49-V96 HydrophobicContact CE1-CG1 4.32Å; F49-V96 HydrophobicContact CE1-CG2 4.3Å
50M95.9Very high96Very high53 Ų5360 Ų6026%0.26130%0.295SS..Hα-helixtrans-55.5-41.8173.3-177.3-176.5-173.900112.3V46 A47 I53 R54 I65 L67V46-M50 WeakPolarHBondContact O-CB 3.29Å; V46-M50 PolarHBondContact O-N 3.22Å; A47-M50 PolarHBondContact O-N 2.98Å; M50-I53 PolarHBondContact O-N 3.16Å; M50-R54 WeakPolarHBondContact O-CB 3.37Å; M50-R54 PolarHBondContact O-N 3.07Å; M50-I65 HydrophobicContact CE-CB 4.49Å; M50-I65 HydrophobicContact CE-CG2 3.6Å; M50-I65 WeakPolarHBondContact CE-O 3.39Å; M50-I65 HydrophobicContact CG-CG2 4.14Å; M50-L67 HydrophobicContact CB-CD1 3.69Å; M50-L67 HydrophobicContact CB-CG 4.17Å; M50-L67 HydrophobicContact CG-CD1 4.21Å; M50-L67 HydrophobicContact CG-CG 4.12Å
51W95.3Very high95.7Very high144 Ų14464.1 Ų64.155%0.54532%0.324SS..Hα-helixtrans-65.3-38.1174.6-178.990.5000112.9A47 Q48 F49 R54 K55A47-W51 PolarHBondContact O-N 3.49Å; Q48-W51 WeakPolarHBondContact O-CB 3.24Å; Q48-W51 PolarHBondContact O-N 2.93Å; F49-W51 VanDerWaalsContact C-N 3.27Å; F49-W51 PolarHBondContact O-N 3.33Å; W51-R54 WeakPolarHBondContact O-CB 3.36Å; W51-R54 PolarHBondContact O-N 2.98Å; W51-K55 HydrophobicContact CD2-CD 4.24Å; W51-K55 HydrophobicContact CE3-CD 4.14Å; W51-K55 HydrophobicContact CH2-CD 3.69Å; W51-K55 VanDerWaalsContact CH2-CE 3.44Å; W51-K55 HydrophobicContact CZ2-CD 3.73Å; W51-K55 HydrophobicContact CZ3-CD 3.86Å; W51-K55 PolarHBondContact O-N 3.28Å
52I95.4Very high95.5Very high59 Ų5969.8 Ų69.830%0.30335%0.347SS..Hα-helixtrans-61.4-47.4173.6-67.9164.8000110.3I44 Q48 F49 R54 K55 R56I44-I52 HydrophobicContact CD1-CD1 3.76Å; Q48-I52 WeakPolarHBondContact O-CG1 3.49Å; Q48-I52 PolarHBondContact O-N 3.42Å; F49-I52 WeakPolarHBondContact O-CA 3.3Å; F49-I52 WeakPolarHBondContact O-CB 3.47Å; F49-I52 PolarHBondContact O-N 3.21Å; I52-R54 PolarHBondContact O-N 3Å; I52-K55 PolarHBondContact O-N 3.04Å; I52-R56 HydrophobicContact CG2-CG 4.5Å; I52-R56 WeakPolarHBondContact O-CG 3.44Å; I52-R56 PolarHBondContact O-N 3.4Å
53I95.7Very high95.3Very high0 Ų073.9 Ų73.90%036%0.36CS..Hα-helixtrans-60.6-46.5177.5-61.9-51.4000110.5V22 I33 Y38 F49 M50 K55 R56 I57 I65 Y98V22-I53 HydrophobicContact CG1-CD1 4.11Å; V22-I53 HydrophobicContact CG2-CD1 4.1Å; I33-I53 HydrophobicContact CD1-CD1 3.87Å; I33-I53 HydrophobicContact CD1-CG2 4.2Å; Y38-I53 HydrophobicContact CE2-CD1 4.4Å; F49-I53 HydrophobicContact CD1-CG1 4.43Å; F49-I53 HydrophobicContact CE1-CD1 4.34Å; F49-I53 HydrophobicContact CE1-CG1 4.07Å; F49-I53 HydrophobicContact CE2-CD1 3.98Å; F49-I53 HydrophobicContact CE2-CG1 4.29Å; F49-I53 HydrophobicContact CZ-CD1 3.78Å; F49-I53 HydrophobicContact CZ-CG1 4Å; F49-I53 WeakPolarHBondContact O-CG1 3.42Å; F49-I53 PolarHBondContact O-N 3.17Å; M50-I53 PolarHBondContact O-N 3.16Å; I53-K55 VanDerWaalsContact C-N 3.29Å; I53-K55 PolarHBondContact O-N 3.49Å; I53-R56 WeakPolarHBondContact O-CB 3.47Å; I53-R56 PolarHBondContact O-N 2.92Å; I53-I57 WeakPolarHBondContact O-CG1 3.39Å; I53-I57 PolarHBondContact O-N 2.94Å; I53-I65 HydrophobicContact CG2-CD1 3.92Å; I53-Y98 HydrophobicContact CG2-CG 4.48Å
54R95.1Very high95.1Very high68 Ų6870.8 Ų70.826%0.25735%0.35SS..Hα-helixtrans-52.5-46.5176-165.7-177.1-143.8173.25.2112.5M50 W51 I52 I57 Q58 L59 S61 K63 I65M50-R54 WeakPolarHBondContact O-CB 3.37Å; M50-R54 PolarHBondContact O-N 3.07Å; W51-R54 WeakPolarHBondContact O-CB 3.36Å; W51-R54 PolarHBondContact O-N 2.98Å; I52-R54 PolarHBondContact O-N 3Å; R54-I57 WeakPolarHBondContact O-CG1 3.13Å; R54-Q58 PolarHBondContact O-N 3.03Å; R54-L59 HydrophobicContact CG-CB 3.82Å; R54-L59 HydrophobicContact CG-CD2 4.15Å; R54-L59 HydrophobicContact CG-CG 4.47Å; R54-L59 PolarHBondContact O-N 2.99Å; R54-S61 PolarHBondContact NH2-O 3.32Å; R54-K63 PolarHBondContact NH2-O 3.28Å; R54-I65 HydrophobicContact CG-CG2 4.47Å
55K94.5Very high94.9Very high127 Ų12769.9 Ų69.955%0.55235%0.345SS*.Hα-helixtrans-65.4-38.1176.5-81.3-167.7162.9-174.40112.8W51 I52 I53 Q58W51-K55 HydrophobicContact CD2-CD 4.24Å; W51-K55 HydrophobicContact CE3-CD 4.14Å; W51-K55 HydrophobicContact CH2-CD 3.69Å; W51-K55 VanDerWaalsContact CH2-CE 3.44Å; W51-K55 HydrophobicContact CZ2-CD 3.73Å; W51-K55 HydrophobicContact CZ3-CD 3.86Å; W51-K55 PolarHBondContact O-N 3.28Å; I52-K55 PolarHBondContact O-N 3.04Å; I53-K55 VanDerWaalsContact C-N 3.29Å; I53-K55 PolarHBondContact O-N 3.49Å; K55-Q58 PolarHBondContact O-N 3.3Å
56R94.7Very high94.7Very high132 Ų13270.7 Ų70.750%0.49835%0.346SS..Hα-helixtrans-62.6-43.9179.4-75.4-72.8-179.4175.4-4.3112.5I33 I52 I53 Q58I33-R56 HydrophobicContact CD1-CB 4.31Å; I33-R56 HydrophobicContact CG1-CB 4.38Å; I52-R56 HydrophobicContact CG2-CG 4.5Å; I52-R56 WeakPolarHBondContact O-CG 3.44Å; I52-R56 PolarHBondContact O-N 3.4Å; I53-R56 WeakPolarHBondContact O-CB 3.47Å; I53-R56 PolarHBondContact O-N 2.92Å; R56-Q58 PolarHBondContact O-N 3.36Å
57I94.8Very high94.6Very high9 Ų970.8 Ų70.85%0.04635%0.346CS..THydrogen-bonded Turntrans-85.16.5177.265163.2000113.2I30 V31 I33 I53 R54 L59 I65 Y98I30-I57 HydrophobicContact CD1-CD1 3.72Å; I30-I57 HydrophobicContact CG1-CD1 3.73Å; V31-I57 HydrophobicContact CB-CB 4.39Å; I33-I57 HydrophobicContact CB-CG2 3.86Å; I33-I57 HydrophobicContact CD1-CG2 4.37Å; I33-I57 HydrophobicContact CG1-CG2 3.97Å; I53-I57 WeakPolarHBondContact O-CG1 3.39Å; I53-I57 PolarHBondContact O-N 2.94Å; R54-I57 WeakPolarHBondContact O-CG1 3.13Å; I57-L59 HydrophobicContact CD1-CB 3.78Å; I57-L59 HydrophobicContact CD1-CD1 4.34Å; I57-L59 HydrophobicContact CD1-CD2 4.29Å; I57-L59 HydrophobicContact CD1-CG 4.38Å; I57-L59 HydrophobicContact CG1-CB 3.81Å; I57-L59 PolarHBondContact O-N 3Å; I57-L59 VanDerWaalsContact O-N 3.16Å; I57-I65 HydrophobicContact CD1-CD1 4.05Å; I57-Y98 HydrophobicContact CD1-CE2 4.17Å; I57-Y98 HydrophobicContact CG2-CE2 4.47Å
58Q94.8Very high94.5Very high170 Ų17069 Ų6979%0.79433%0.33SS*.THydrogen-bonded Turntrans50.838.4-178.7-55.9178.936.800113R54 K55 R56 P60R54-Q58 PolarHBondContact O-N 3.03Å; K55-Q58 PolarHBondContact O-N 3.3Å; R56-Q58 PolarHBondContact O-N 3.36Å; Q58-P60 WeakPolarHBondContact O-CD 3.48Å
59L94.4Very high94.3Very high16 Ų1664.6 Ų64.68%0.08431%0.31CS..  trans-75.2126.6-176.1-171.776.4000110.4I30 R54 I57 K63 I65I30-L59 HydrophobicContact CD1-CD1 4.18Å; I30-L59 HydrophobicContact CD1-CD2 3.92Å; I30-L59 HydrophobicContact CG1-CD1 4.03Å; R54-L59 HydrophobicContact CG-CB 3.82Å; R54-L59 HydrophobicContact CG-CD2 4.15Å; R54-L59 HydrophobicContact CG-CG 4.47Å; R54-L59 PolarHBondContact O-N 2.99Å; I57-L59 HydrophobicContact CD1-CB 3.78Å; I57-L59 HydrophobicContact CD1-CD1 4.34Å; I57-L59 HydrophobicContact CD1-CD2 4.29Å; I57-L59 HydrophobicContact CD1-CG 4.38Å; I57-L59 HydrophobicContact CG1-CB 3.81Å; I57-L59 PolarHBondContact O-N 3Å; I57-L59 VanDerWaalsContact O-N 3.16Å; L59-K63 HydrophobicContact CD1-CB 3.69Å; L59-K63 HydrophobicContact CD1-CD 3.78Å; L59-K63 HydrophobicContact CD1-CG 4.35Å; L59-K63 HydrophobicContact CD2-CB 4.11Å; L59-K63 HydrophobicContact CG-CB 3.81Å; L59-I65 HydrophobicContact CD2-CB 3.75Å; L59-I65 HydrophobicContact CD2-CG2 4.19Å
60P93.6Very high93.9Very high61 Ų6170.1 Ų70.140%0.39634%0.34SS..  trans-56.4152.2174.7-24.934.2000112.9Q58 E62 K63Q58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-E62 WeakPolarHBondContact CB-OE2 3.29Å; P60-E62 PolarHBondContact O-N 2.81Å; P60-K63 PolarHBondContact O-N 3.09Å; P60-K63 VanDerWaalsContact O-N 3.16Å
61S90.8Very high93.3Very high95 Ų9574.8 Ų74.866%0.66436%0.359SS*.THydrogen-bonded Turntrans-61.8-28.3179.739.80000113.3R54 K63R54-S61 PolarHBondContact NH2-O 3.32Å; S61-K63 VanDerWaalsContact C-N 3.32Å
62E92.2Very high93Very high164 Ų16472 Ų7277%0.76636%0.357SS*.THydrogen-bonded Turntrans-74.7-21.1179.6-52102.6122.600113.2P60P60-E62 WeakPolarHBondContact CB-OE2 3.29Å; P60-E62 PolarHBondContact O-N 2.81Å
63K92Very high92.9Very high126 Ų12672.8 Ų72.855%0.54837%0.365SS..SBendtrans-88.8130.1179.6-70.4-168177.8-174.80110.7R54 L59 P60 S61R54-K63 PolarHBondContact NH2-O 3.28Å; L59-K63 HydrophobicContact CD1-CB 3.69Å; L59-K63 HydrophobicContact CD1-CD 3.78Å; L59-K63 HydrophobicContact CD1-CG 4.35Å; L59-K63 HydrophobicContact CD2-CB 4.11Å; L59-K63 HydrophobicContact CG-CB 3.81Å; P60-K63 PolarHBondContact O-N 3.09Å; P60-K63 VanDerWaalsContact O-N 3.16Å; S61-K63 VanDerWaalsContact C-N 3.32Å
64A91.8Very high92.8Very high50 Ų5073.4 Ų73.441%0.41337%0.369SS..  trans-68.8151.1174.300000111.3F66A64-F66 HydrophobicContact CB-CD2 4.47Å; A64-F66 HydrophobicContact CB-CE2 3.6Å; A64-F66 HydrophobicContact CB-CZ 4.06Å
65I94.1Very high92.8Very high6 Ų676.2 Ų76.23%0.03139%0.385CS..  trans-136.9147.4167.2-175.3171.7000106.4I30 M50 I53 R54 I57 L59 Y98 S99I30-I65 HydrophobicContact CD1-CB 4.13Å; I30-I65 HydrophobicContact CD1-CD1 4.15Å; I30-I65 HydrophobicContact CD1-CG1 3.89Å; M50-I65 HydrophobicContact CE-CB 4.49Å; M50-I65 HydrophobicContact CE-CG2 3.6Å; M50-I65 WeakPolarHBondContact CE-O 3.39Å; M50-I65 HydrophobicContact CG-CG2 4.14Å; I53-I65 HydrophobicContact CG2-CD1 3.92Å; R54-I65 HydrophobicContact CG-CG2 4.47Å; I57-I65 HydrophobicContact CD1-CD1 4.05Å; L59-I65 HydrophobicContact CD2-CB 3.75Å; L59-I65 HydrophobicContact CD2-CG2 4.19Å; I65-Y98 HydrophobicContact CD1-CD2 4.2Å; I65-S99 CarbonylContact C-O 3.44Å; I65-S99 WeakPolarHBondContact CA-O 3.22Å
66F93.9Very high92.9Very high53 Ų5373.5 Ų73.523%0.23238%0.382CS..EExtended strand (participates in β ladder)trans-134142.3176-60.9-89000108A64 F68 Y98 S99 E101 N102A64-F66 HydrophobicContact CB-CD2 4.47Å; A64-F66 HydrophobicContact CB-CE2 3.6Å; A64-F66 HydrophobicContact CB-CZ 4.06Å; F66-F68 HydrophobicContact CB-CE2 3.7Å; F66-F68 HydrophobicContact CB-CZ 3.78Å; F66-Y98 CarbonylContact O-C 3.53Å; F66-Y98 WeakPolarHBondContact O-CA 3.5Å; F66-S99 PolarHBondContact N-O 3.25Å; F66-S99 PolarHBondContact O-N 3.16Å; F66-E101 VanDerWaalsContact CD2-O 3.29Å; F66-E101 WeakPolarHBondContact CD2-O 3.16Å; F66-N102 HydrophobicContact CD1-CB 3.83Å; F66-N102 WeakPolarHBondContact CD1-OD1 3.19Å; F66-N102 HydrophobicContact CD2-CB 4.19Å; F66-N102 HydrophobicContact CE1-CB 3.54Å; F66-N102 WeakPolarHBondContact CE1-OD1 3.36Å; F66-N102 HydrophobicContact CE2-CB 3.91Å; F66-N102 HydrophobicContact CG-CB 4.15Å; F66-N102 HydrophobicContact CZ-CB 3.59Å
67L95.1Very high93Very high7 Ų771.9 Ų71.94%0.03739%0.391CS..EExtended strand (participates in β ladder)trans-107146172.1-61.7-174.7000109F49 M50 P74 V96 A97F49-L67 HydrophobicContact CD1-CD1 3.94Å; F49-L67 HydrophobicContact CE1-CD1 4.48Å; M50-L67 HydrophobicContact CB-CD1 3.69Å; M50-L67 HydrophobicContact CB-CG 4.17Å; M50-L67 HydrophobicContact CG-CD1 4.21Å; M50-L67 HydrophobicContact CG-CG 4.12Å; L67-P74 WeakPolarHBondContact O-CD 3.5Å; L67-V96 HydrophobicContact CB-CG1 4.12Å; L67-V96 HydrophobicContact CD1-CG1 4.29Å; L67-V96 HydrophobicContact CD2-CG1 4Å; L67-V96 HydrophobicContact CG-CG1 4.36Å; L67-A97 CarbonylContact C-O 3.55Å; L67-A97 WeakPolarHBondContact CA-O 3.36Å
68F94.4Very high93.1Very high8 Ų872.5 Ų72.54%0.03539%0.394CS..EExtended strand (participates in β ladder)trans-131.7137.8177.6-55.7-90.3000110V25 F66 T72 V73 V96 A97 F104V25-F68 HydrophobicContact CG2-CD2 4.36Å; F66-F68 HydrophobicContact CB-CE2 3.7Å; F66-F68 HydrophobicContact CB-CZ 3.78Å; F68-T72 CarbonylContact C-O 3.48Å; F68-T72 WeakPolarHBondContact CA-O 3.17Å; F68-V73 HydrophobicContact CD1-CG2 3.9Å; F68-V73 HydrophobicContact CE1-CG2 3.64Å; F68-V73 HydrophobicContact CZ-CG2 4.45Å; F68-V96 CarbonylContact O-C 3.51Å; F68-V96 WeakPolarHBondContact O-CA 3.29Å; F68-A97 HydrophobicContact CB-CB 4.32Å; F68-A97 PolarHBondContact N-O 2.85Å; F68-A97 PolarHBondContact O-N 2.8Å; F68-F104 HydrophobicContact CB-CD2 4.27Å; F68-F104 HydrophobicContact CB-CE2 4.06Å; F68-F104 HydrophobicContact CD1-CD2 4.06Å; F68-F104 HydrophobicContact CD2-CD2 4.4Å; F68-F104 AromaticContact CG-CD2 3.98Å; F68-F104 HydrophobicContact CG-CD2 3.98Å; F68-F104 HydrophobicContact CG-CE2 4.2Å
69V94.4Very high93.2Very high5 Ų566.2 Ų66.23%0.0337%0.367CS..BIsolated β-bridgetrans-129.4127.1169.6179.20000106.6K71 T72 P74 L83 E87 L94 V96V69-K71 PolarHBondContact O-N 3.15Å; V69-T72 PolarHBondContact N-O 3.45Å; V69-T72 PolarHBondContact O-N 3.18Å; V69-T72 PolarHBondContact O-OG1 3.32Å; V69-P74 HydrophobicContact CG2-CG 4.19Å; V69-L83 HydrophobicContact CG1-CD1 4.42Å; V69-L83 HydrophobicContact CG2-CD1 4.48Å; V69-L83 HydrophobicContact CG2-CD2 4.08Å; V69-E87 HydrophobicContact CG1-CB 3.42Å; V69-E87 VanDerWaalsContact CG1-CB 3.42Å; V69-E87 HydrophobicContact CG1-CG 3.8Å; V69-L94 HydrophobicContact CG1-CD1 3.8Å; V69-L94 HydrophobicContact CG2-CD1 4.47Å; V69-V96 HydrophobicContact CG2-CG2 3.92Å
70D88.6Confident93.4Very high120 Ų12065.5 Ų65.564%0.64236%0.364SS*.THydrogen-bonded Turntrans43.648.9-169.2-166.232.2000113.3T72D70-T72 PolarHBondContact O-N 2.87Å
71K84.7Confident93.5Very high151 Ų15163.2 Ų63.266%0.65735%0.351SS*.THydrogen-bonded Turntrans63.53.8-179.6-49.7170.7-174.8171.60115.7V69 F104V69-K71 PolarHBondContact O-N 3.15Å; K71-F104 HydrophobicContact CB-CD2 4.36Å; K71-F104 HydrophobicContact CB-CE2 4.5Å; K71-F104 HydrophobicContact CG-CE1 4.39Å; K71-F104 HydrophobicContact CG-CE2 4.37Å; K71-F104 HydrophobicContact CG-CZ 4.26Å
72T89.1Confident93.8Very high84 Ų8463 Ų6352%0.51534%0.339SS..BIsolated β-bridgetrans-108.3153.6176.768.60000111.4F68 V69 D70 P74F68-T72 CarbonylContact C-O 3.48Å; F68-T72 WeakPolarHBondContact CA-O 3.17Å; V69-T72 PolarHBondContact N-O 3.45Å; V69-T72 PolarHBondContact O-N 3.18Å; V69-T72 PolarHBondContact O-OG1 3.32Å; D70-T72 PolarHBondContact O-N 2.87Å; T72-P74 VanDerWaalsContact O-CD 3.32Å; T72-P74 WeakPolarHBondContact O-CD 3.39Å
73V92.4Very high94.1Very high76 Ų7655.5 Ų55.546%0.46131%0.305SS..  trans-82.2114174179.90000108.5F68F68-V73 HydrophobicContact CD1-CG2 3.9Å; F68-V73 HydrophobicContact CE1-CG2 3.64Å; F68-V73 HydrophobicContact CZ-CG2 4.45Å
74P94.4Very high94.3Very high14 Ų1450.1 Ų50.19%0.09128%0.281CS..  trans-68.2151.9-178.927.9-34000111.5V46 L67 V69 T72 S76 L83V46-P74 HydrophobicContact CG1-CB 4.35Å; V46-P74 HydrophobicContact CG1-CG 3.83Å; V46-P74 HydrophobicContact CG2-CB 4.46Å; L67-P74 WeakPolarHBondContact O-CD 3.5Å; V69-P74 HydrophobicContact CG2-CG 4.19Å; T72-P74 VanDerWaalsContact O-CD 3.32Å; T72-P74 WeakPolarHBondContact O-CD 3.39Å; P74-S76 PolarHBondContact O-N 3.01Å; P74-L83 HydrophobicContact CB-CD1 3.95Å; P74-L83 HydrophobicContact CB-CD2 4.12Å; P74-L83 HydrophobicContact CG-CD2 4.4Å
75Q95.3Very high94.4Very high126 Ų12654.8 Ų54.859%0.58930%0.295SS*.  trans-63.4126177-63.3179.1-65.400110.9S77 L78Q75-S77 PolarHBondContact O-N 2.77Å; Q75-S77 VanDerWaalsContact O-N 3.16Å; Q75-L78 HydrophobicContact CB-CD1 3.89Å; Q75-L78 HydrophobicContact CB-CG 3.95Å; Q75-L78 HydrophobicContact CG-CD1 4.43Å; Q75-L78 WeakPolarHBondContact O-CB 3.37Å; Q75-L78 PolarHBondContact O-N 2.94Å; Q75-L78 VanDerWaalsContact O-N 3.12Å
76S94.7Very high94.4Very high71 Ų7160.9 Ų60.950%0.49732%0.321SS..THydrogen-bonded Turntrans-63.1-24.8-173.7-54.30000114.7A47 P74A47-S76 PolarHBondContact N-O 3.44Å; A47-S76 VanDerWaalsContact N-O 3.12Å; P74-S76 PolarHBondContact O-N 3.01Å
77S96.7Very high94.5Very high97 Ų9762.2 Ų62.268%0.67833%0.328SS*.THydrogen-bonded Turntrans-84.4-15.1179.354.20000114.2Q75Q75-S77 PolarHBondContact O-N 2.77Å; Q75-S77 VanDerWaalsContact O-N 3.16Å
78L97.1Very high94.5Very high23 Ų2366.4 Ų66.412%0.1235%0.346CS..SBendtrans-65145.3176-74.4172.5000110.1T45 V46 Q75 Q82T45-L78 CarbonylContact C-O 3.48Å; T45-L78 VanDerWaalsContact CA-O 3.22Å; T45-L78 WeakPolarHBondContact CA-O 3.14Å; V46-L78 HydrophobicContact CG2-CB 4.29Å; V46-L78 WeakPolarHBondContact CG2-O 3.21Å; V46-L78 PolarHBondContact N-O 3.23Å; Q75-L78 HydrophobicContact CB-CD1 3.89Å; Q75-L78 HydrophobicContact CB-CG 3.95Å; Q75-L78 HydrophobicContact CG-CD1 4.43Å; Q75-L78 WeakPolarHBondContact O-CB 3.37Å; Q75-L78 PolarHBondContact O-N 2.94Å; Q75-L78 VanDerWaalsContact O-N 3.12Å; L78-Q82 HydrophobicContact CD2-CB 4.24Å
79T98.1Very high94.4Very high37 Ų3769.7 Ų69.723%0.22736%0.364CS..BIsolated β-bridgetrans-76.7154.4168.862.60000110.7S42 I44 G81 Q82 L83S42-T79 WeakPolarHBondContact O-CB 3.45Å; I44-T79 CarbonylContact O-C 3.25Å; I44-T79 VanDerWaalsContact O-CA 3.29Å; I44-T79 WeakPolarHBondContact O-CA 3.34Å; T79-G81 PolarHBondContact O-N 3.33Å; T79-Q82 VanDerWaalsContact N-OE1 3.08Å; T79-Q82 PolarHBondContact O-N 2.88Å; T79-Q82 WeakPolarHBondContact OG1-CB 3.45Å; T79-Q82 VanDerWaalsContact OG1-CD 3.27Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.45Å; T79-Q82 PolarHBondContact OG1-N 3.22Å; T79-Q82 PolarHBondContact OG1-OE1 3.2Å; T79-L83 WeakPolarHBondContact O-CB 3.41Å; T79-L83 PolarHBondContact O-N 2.94Å
80M97.9Very high94.2Very high1 Ų178.7 Ų78.71%0.00541%0.405CS..Hα-helixtrans-62.7-31176.7-69.5-60.9-62.700111.9V20 V40 I44 V46 F49 L83 Y84 L94V20-M80 HydrophobicContact CG2-CE 3.9Å; V40-M80 HydrophobicContact CG1-CB 4.26Å; V40-M80 HydrophobicContact CG1-CE 4.5Å; V40-M80 HydrophobicContact CG1-CG 3.9Å; I44-M80 HydrophobicContact CD1-CG 4.34Å; I44-M80 HydrophobicContact CG1-CB 4.43Å; I44-M80 HydrophobicContact CG1-CG 3.76Å; I44-M80 PolarHBondContact O-N 3.47Å; V46-M80 HydrophobicContact CG2-SD 4.19Å; F49-M80 HydrophobicContact CB-CE 4.47Å; F49-M80 HydrophobicContact CB-CG 4.12Å; F49-M80 HydrophobicContact CB-SD 3.69Å; F49-M80 HydrophobicContact CD1-CE 3.67Å; F49-M80 HydrophobicContact CD1-SD 3.8Å; F49-M80 HydrophobicContact CD2-CE 4.38Å; F49-M80 HydrophobicContact CE1-CE 3.91Å; F49-M80 HydrophobicContact CG-CE 3.92Å; F49-M80 HydrophobicContact CG-CG 4.44Å; F49-M80 HydrophobicContact CG-SD 3.79Å; F49-M80 HydrophobicContact CZ-CE 4.37Å; M80-L83 HydrophobicContact SD-CD2 4.33Å; M80-Y84 VanDerWaalsContact O-CB 3.24Å; M80-Y84 WeakPolarHBondContact O-CB 3.44Å; M80-Y84 PolarHBondContact O-N 2.88Å; M80-L94 HydrophobicContact CE-CD2 3.82Å
81G97Very high94.3Very high13 Ų1373.6 Ų73.613%0.13438%0.378CS..Hα-helixtrans-63.7-50.417200000112.4S42 T79 L83 Y84 E85S42-G81 PolarHBondContact O-N 2.92Å; T79-G81 PolarHBondContact O-N 3.33Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.29Å; G81-Y84 WeakPolarHBondContact O-CB 2.76Å; G81-Y84 PolarHBondContact O-N 3.19Å; G81-E85 PolarHBondContact O-N 3.07Å
82Q97.1Very high94.6Very high90 Ų9067 Ų6742%0.42135%0.353SS..Hα-helixtrans-62-39.6177.1-73.6167.8-38.300112.3L78 T79 K86L78-Q82 HydrophobicContact CD2-CB 4.24Å; T79-Q82 VanDerWaalsContact N-OE1 3.08Å; T79-Q82 PolarHBondContact O-N 2.88Å; T79-Q82 WeakPolarHBondContact OG1-CB 3.45Å; T79-Q82 VanDerWaalsContact OG1-CD 3.27Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.45Å; T79-Q82 PolarHBondContact OG1-N 3.22Å; T79-Q82 PolarHBondContact OG1-OE1 3.2Å; Q82-K86 WeakPolarHBondContact O-CG 3.46Å; Q82-K86 PolarHBondContact O-N 3.38Å
83L96.9Very high94.8Very high8 Ų863.4 Ų63.44%0.04233%0.33CS..Hα-helixtrans-64.6-43.2176.1-178.560.5000111V46 V69 P74 T79 M80 G81 E85 K86 E87 L94V46-L83 HydrophobicContact CG2-CD2 3.67Å; V69-L83 HydrophobicContact CG1-CD1 4.42Å; V69-L83 HydrophobicContact CG2-CD1 4.48Å; V69-L83 HydrophobicContact CG2-CD2 4.08Å; P74-L83 HydrophobicContact CB-CD1 3.95Å; P74-L83 HydrophobicContact CB-CD2 4.12Å; P74-L83 HydrophobicContact CG-CD2 4.4Å; T79-L83 WeakPolarHBondContact O-CB 3.41Å; T79-L83 PolarHBondContact O-N 2.94Å; M80-L83 HydrophobicContact SD-CD2 4.33Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.29Å; L83-E85 PolarHBondContact O-N 3.47Å; L83-K86 PolarHBondContact O-N 2.99Å; L83-E87 HydrophobicContact CD1-CB 4.34Å; L83-E87 HydrophobicContact CD1-CG 3.78Å; L83-E87 WeakPolarHBondContact O-CB 3.35Å; L83-E87 PolarHBondContact O-N 2.94Å; L83-L94 HydrophobicContact CD2-CD2 4.02Å; L83-L94 HydrophobicContact CG-CD1 4.33Å; L83-L94 HydrophobicContact CG-CD2 4.01Å
84Y96.4Very high95Very high12 Ų1259.8 Ų59.85%0.04731%0.308CS..Hα-helixtrans-62.4-40.9176.7176.5-96000113R11 V18 P19 M80 G81 K86 K88 G92 L94R11-Y84 WeakPolarHBondContact CD-OH 3.47Å; V18-Y84 HydrophobicContact CG1-CD2 3.35Å; V18-Y84 HydrophobicContact CG1-CE2 4.18Å; V18-Y84 HydrophobicContact CG1-CG 3.61Å; V18-Y84 HydrophobicContact CG2-CG 4.32Å; P19-Y84 HydrophobicContact CG-CE2 4.08Å; M80-Y84 VanDerWaalsContact O-CB 3.24Å; M80-Y84 WeakPolarHBondContact O-CB 3.44Å; M80-Y84 PolarHBondContact O-N 2.88Å; G81-Y84 WeakPolarHBondContact O-CB 2.76Å; G81-Y84 PolarHBondContact O-N 3.19Å; Y84-K86 PolarHBondContact O-N 2.95Å; Y84-K88 HydrophobicContact CD1-CD 4.1Å; Y84-K88 HydrophobicContact CD2-CB 3.73Å; Y84-K88 HydrophobicContact CE1-CB 4.42Å; Y84-K88 HydrophobicContact CE1-CD 3.55Å; Y84-K88 HydrophobicContact CE2-CB 3.58Å; Y84-K88 HydrophobicContact CE2-CD 4.14Å; Y84-K88 HydrophobicContact CE2-CG 4.47Å; Y84-K88 HydrophobicContact CG-CB 4.22Å; Y84-K88 WeakPolarHBondContact O-CB 3.43Å; Y84-K88 VanDerWaalsContact O-CG 3.3Å; Y84-K88 WeakPolarHBondContact O-CG 3.34Å; Y84-K88 PolarHBondContact O-N 3.26Å; Y84-G92 PolarHBondContact OH-O 3.12Å; Y84-L94 HydrophobicContact CD2-CB 3.82Å
85E94.8Very high95.1Very high149 Ų14962.6 Ų62.670%0.69632%0.317SS*.Hα-helixtrans-63.6-32178.6-73.4-177143.500113.1G81 L83G81-E85 PolarHBondContact O-N 3.07Å; L83-E85 PolarHBondContact O-N 3.47Å
86K94.1Very high95.1Very high134 Ų13456.9 Ų56.958%0.58329%0.291SS*.Hα-helixtrans-83.5-42.5-179.9-68.2178.2179.7-1750113.2Q82 L83 Y84Q82-K86 WeakPolarHBondContact O-CG 3.46Å; Q82-K86 PolarHBondContact O-N 3.38Å; L83-K86 PolarHBondContact O-N 2.99Å; Y84-K86 PolarHBondContact O-N 2.95Å
87E95.6Very high95.2Very high80 Ų8054.6 Ų54.637%0.37428%0.276SS..Hα-helixtrans-123.18.1-161.9-54.6-60.9143.200114.3V69 L83 L94V69-E87 HydrophobicContact CG1-CB 3.42Å; V69-E87 VanDerWaalsContact CG1-CB 3.42Å; V69-E87 HydrophobicContact CG1-CG 3.8Å; L83-E87 HydrophobicContact CD1-CB 4.34Å; L83-E87 HydrophobicContact CD1-CG 3.78Å; L83-E87 WeakPolarHBondContact O-CB 3.35Å; L83-E87 PolarHBondContact O-N 2.94Å; E87-L94 HydrophobicContact CB-CD1 3.9Å
88K94Very high95.1Very high96 Ų9650 Ų5042%0.41724%0.244SC..  trans-62.2147.1173.269.9-170.3-176.1-152.80110.5Y84Y84-K88 HydrophobicContact CD1-CD 4.1Å; Y84-K88 HydrophobicContact CD2-CB 3.73Å; Y84-K88 HydrophobicContact CE1-CB 4.42Å; Y84-K88 HydrophobicContact CE1-CD 3.55Å; Y84-K88 HydrophobicContact CE2-CB 3.58Å; Y84-K88 HydrophobicContact CE2-CD 4.14Å; Y84-K88 HydrophobicContact CE2-CG 4.47Å; Y84-K88 HydrophobicContact CG-CB 4.22Å; Y84-K88 WeakPolarHBondContact O-CB 3.43Å; Y84-K88 VanDerWaalsContact O-CG 3.3Å; Y84-K88 WeakPolarHBondContact O-CG 3.34Å; Y84-K88 PolarHBondContact O-N 3.26Å
89D94Very high95Very high77 Ų7748.9 Ų48.941%0.41224%0.238SC..  trans-76164.7171.6-169.1-96000111.3D91 G92 F93 Y95D89-D91 PolarHBondContact O-N 2.84Å; D89-D91 PolarHBondContact OD1-N 3.28Å; D89-G92 PolarHBondContact O-N 3.23Å; D89-F93 PolarHBondContact N-O 3.3Å; D89-Y95 HydrophobicContact CB-CD2 3.78Å; D89-Y95 HydrophobicContact CB-CE2 3.54Å
90E90.2Very high94.7Very high193 Ų19348.3 Ų48.390%0.90224%0.24SC*.THydrogen-bonded Turntrans-60-24.5175.4-61-171.1109.900112.4G92E90-G92 PolarHBondContact O-N 3.09Å
91D89.8Confident94.2Very high14 Ų1453.5 Ų53.58%0.07526%0.264CS..THydrogen-bonded Turntrans-73.7-6.8174.984.4-7.6000114.4R3 S7 D89 F93 Y95R3-D91 HydrophobicContact CB-CB 4.06Å; R3-D91 IonicContact CZ-OD2 3.22Å; R3-D91 IonicContact NE-OD2 2.76Å; R3-D91 PolarHBondContact NE-OD2 3.45Å; R3-D91 IonicContact NH2-OD2 3.14Å; R3-D91 PolarHBondContact NH2-OD2 3.34Å; R3-D91 VanDerWaalsContact NH2-OD2 3.14Å; S7-D91 VanDerWaalsContact CB-O 3.31Å; S7-D91 WeakPolarHBondContact CB-O 3.49Å; S7-D91 PolarHBondContact OG-O 2.89Å; D89-D91 PolarHBondContact O-N 2.84Å; D89-D91 PolarHBondContact OD1-N 3.28Å; D91-F93 WeakPolarHBondContact OD1-CB 3.22Å; D91-F93 WeakPolarHBondContact OD1-CD2 3.49Å; D91-F93 PolarHBondContact OD1-N 3.5Å; D91-Y95 PolarHBondContact OD2-OH 3.34Å
92G90.5Very high93.5Very high12 Ų1257.4 Ų57.412%0.12428%0.282CS..SBendtrans81.317.817900000114.6S7 P19 Y84 D89 E90S7-G92 WeakPolarHBondContact CB-O 3.43Å; P19-G92 WeakPolarHBondContact CG-O 3.44Å; Y84-G92 PolarHBondContact OH-O 3.12Å; D89-G92 PolarHBondContact O-N 3.23Å; E90-G92 PolarHBondContact O-N 3.09Å
93F94.4Very high92.3Very high8 Ų856.7 Ų56.74%0.03528%0.284CS..  trans-109151168.5-68.7-96.4000111.1R3 P19 I21 D89 D91 Y95R3-F93 HydrophobicContact CB-CE2 4.47Å; P19-F93 HydrophobicContact CB-CD1 3.67Å; P19-F93 HydrophobicContact CB-CE1 3.78Å; P19-F93 HydrophobicContact CB-CG 4.47Å; P19-F93 HydrophobicContact CG-CD1 4.4Å; I21-F93 HydrophobicContact CD1-CD1 3.66Å; I21-F93 HydrophobicContact CD1-CE1 4.02Å; I21-F93 HydrophobicContact CD1-CG 4.3Å; I21-F93 HydrophobicContact CG1-CB 3.9Å; I21-F93 HydrophobicContact CG1-CD1 3.71Å; I21-F93 HydrophobicContact CG1-CG 3.97Å; D89-F93 PolarHBondContact N-O 3.3Å; D91-F93 WeakPolarHBondContact OD1-CB 3.22Å; D91-F93 WeakPolarHBondContact OD1-CD2 3.49Å; D91-F93 PolarHBondContact OD1-N 3.5Å; F93-Y95 HydrophobicContact CB-CE2 4.07Å
94L96.3Very high90.7Very high0 Ų060.7 Ų60.70%030%0.301CS..EExtended strand (participates in β ladder)trans-92.1127164.1174.470.4000109.3V18 P19 V20 I21 V69 M80 L83 Y84 E87 V96V18-L94 HydrophobicContact CG1-CB 4.47Å; P19-L94 PolarHBondContact O-N 3.32Å; V20-L94 CarbonylContact C-O 3.6Å; V20-L94 WeakPolarHBondContact CA-O 3.36Å; V20-L94 HydrophobicContact CG2-CB 4.44Å; V20-L94 HydrophobicContact CG2-CD2 4.3Å; I21-L94 PolarHBondContact N-O 3.04Å; V69-L94 HydrophobicContact CG1-CD1 3.8Å; V69-L94 HydrophobicContact CG2-CD1 4.47Å; M80-L94 HydrophobicContact CE-CD2 3.82Å; L83-L94 HydrophobicContact CD2-CD2 4.02Å; L83-L94 HydrophobicContact CG-CD1 4.33Å; L83-L94 HydrophobicContact CG-CD2 4.01Å; Y84-L94 HydrophobicContact CD2-CB 3.82Å; E87-L94 HydrophobicContact CB-CD1 3.9Å; L94-V96 HydrophobicContact CD2-CG2 4.12Å; L94-V96 HydrophobicContact CG-CG2 4.04Å
95Y96.2Very high88.9Confident74 Ų7462.4 Ų62.429%0.2932%0.323SS..EExtended strand (participates in β ladder)trans-97.4123177-70-100.3000110R3 I21 D89 D91 F93R3-Y95 PolarHBondContact NH2-OH 3.14Å; I21-Y95 HydrophobicContact CB-CD1 3.92Å; I21-Y95 HydrophobicContact CB-CE1 4.14Å; I21-Y95 HydrophobicContact CB-CG 4.46Å; I21-Y95 HydrophobicContact CG1-CD1 4.45Å; I21-Y95 HydrophobicContact CG1-CE1 4.23Å; I21-Y95 HydrophobicContact CG2-CD1 4.03Å; I21-Y95 HydrophobicContact CG2-CE1 4.12Å; D89-Y95 HydrophobicContact CB-CD2 3.78Å; D89-Y95 HydrophobicContact CB-CE2 3.54Å; D91-Y95 PolarHBondContact OD2-OH 3.34Å; F93-Y95 HydrophobicContact CB-CE2 4.07Å
96V96.4Very high86.4Confident6 Ų668.3 Ų68.34%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-122.5120.6178.6-178.50000108.2V20 I21 V22 E23 F49 L67 F68 V69 L94V20-V96 HydrophobicContact CG1-CB 4.24Å; V20-V96 HydrophobicContact CG1-CG2 3.61Å; I21-V96 PolarHBondContact O-N 3.19Å; V22-V96 VanDerWaalsContact CA-O 3.29Å; V22-V96 WeakPolarHBondContact CA-O 3.48Å; E23-V96 PolarHBondContact N-O 3.48Å; F49-V96 HydrophobicContact CE1-CG1 4.32Å; F49-V96 HydrophobicContact CE1-CG2 4.3Å; L67-V96 HydrophobicContact CB-CG1 4.12Å; L67-V96 HydrophobicContact CD1-CG1 4.29Å; L67-V96 HydrophobicContact CD2-CG1 4Å; L67-V96 HydrophobicContact CG-CG1 4.36Å; F68-V96 CarbonylContact O-C 3.51Å; F68-V96 WeakPolarHBondContact O-CA 3.29Å; V69-V96 HydrophobicContact CG2-CG2 3.92Å; L94-V96 HydrophobicContact CD2-CG2 4.12Å; L94-V96 HydrophobicContact CG-CG2 4.04Å
97A95.3Very high86Confident22 Ų2265.1 Ų65.118%0.18234%0.335CS..EExtended strand (participates in β ladder)trans-94.9148.3169.800000110.2E23 V25 L67 F68 F104E23-A97 CarbonylContact O-C 3.52Å; E23-A97 WeakPolarHBondContact O-CA 3.32Å; V25-A97 HydrophobicContact CG2-CB 3.79Å; L67-A97 CarbonylContact C-O 3.55Å; L67-A97 WeakPolarHBondContact CA-O 3.36Å; F68-A97 HydrophobicContact CB-CB 4.32Å; F68-A97 PolarHBondContact N-O 2.85Å; F68-A97 PolarHBondContact O-N 2.8Å; A97-F104 HydrophobicContact CB-CE2 4.35Å
98Y95Very high85.5Confident0 Ų064.3 Ų64.30%033%0.333CS..EExtended strand (participates in β ladder)trans-128.8146.4172.974.6-85.3000112.5V22 E23 K24 V25 I30 V31 D32 I33 I53 I57 I65 F66V22-Y98 HydrophobicContact CG1-CD1 3.68Å; V22-Y98 HydrophobicContact CG1-CE1 4.02Å; E23-Y98 WeakPolarHBondContact O-CD1 3.34Å; E23-Y98 PolarHBondContact O-N 3.25Å; K24-Y98 HydrophobicContact CB-CE1 3.88Å; K24-Y98 HydrophobicContact CB-CE2 4.28Å; K24-Y98 HydrophobicContact CG-CE2 4.08Å; V25-Y98 PolarHBondContact N-O 2.83Å; I30-Y98 HydrophobicContact CD1-CD2 4.15Å; I30-Y98 HydrophobicContact CD1-CE2 4.36Å; I30-Y98 HydrophobicContact CG1-CE2 4.32Å; I30-Y98 HydrophobicContact CG2-CD2 3.86Å; I30-Y98 HydrophobicContact CG2-CE2 3.58Å; V31-Y98 WeakPolarHBondContact O-CE2 3.28Å; V31-Y98 PolarHBondContact O-OH 3.12Å; D32-Y98 WeakPolarHBondContact CA-OH 3.34Å; I33-Y98 HydrophobicContact CB-CE1 4.2Å; I33-Y98 HydrophobicContact CG2-CE1 4.02Å; I33-Y98 PolarHBondContact N-OH 3.41Å; I53-Y98 HydrophobicContact CG2-CG 4.48Å; I57-Y98 HydrophobicContact CD1-CE2 4.17Å; I57-Y98 HydrophobicContact CG2-CE2 4.47Å; I65-Y98 HydrophobicContact CD1-CD2 4.2Å; F66-Y98 CarbonylContact O-C 3.53Å; F66-Y98 WeakPolarHBondContact O-CA 3.5Å
99S94.3Very high85.1Confident1 Ų162.5 Ų62.51%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-142.8157.7178.1-172.10000111S28 I65 F66 E101S28-S99 PolarHBondContact OG-OG 3.31Å; I65-S99 CarbonylContact C-O 3.44Å; I65-S99 WeakPolarHBondContact CA-O 3.22Å; F66-S99 PolarHBondContact N-O 3.25Å; F66-S99 PolarHBondContact O-N 3.16Å; S99-E101 WeakPolarHBondContact CB-O 3.37Å; S99-E101 PolarHBondContact OG-N 2.86Å; S99-E101 VanDerWaalsContact OG-N 3.14Å
100G92.3Very high84.5Confident25 Ų2561.6 Ų61.626%0.25832%0.323SS..SBendtrans-74.7-10.516500000113.9S28S28-G100 PolarHBondContact OG-N 3.29Å
101E87.9Confident84.2Confident109 Ų10953.4 Ų53.451%0.50929%0.287SS..SBendtrans-115.5146.1-175.7-63.2171.7109.700110.9F66 S99 T103F66-E101 VanDerWaalsContact CD2-O 3.29Å; F66-E101 WeakPolarHBondContact CD2-O 3.16Å; S99-E101 WeakPolarHBondContact CB-O 3.37Å; S99-E101 PolarHBondContact OG-N 2.86Å; S99-E101 VanDerWaalsContact OG-N 3.14Å; E101-T103 PolarHBondContact O-N 2.72Å
102N82.2Confident83.8Confident95 Ų9556.1 Ų56.151%0.50830%0.301SS..SBendtrans-77.9-4.5-177.9-168.133.4000113.6F66F66-N102 HydrophobicContact CD1-CB 3.83Å; F66-N102 WeakPolarHBondContact CD1-OD1 3.19Å; F66-N102 HydrophobicContact CD2-CB 4.19Å; F66-N102 HydrophobicContact CE1-CB 3.54Å; F66-N102 WeakPolarHBondContact CE1-OD1 3.36Å; F66-N102 HydrophobicContact CE2-CB 3.91Å; F66-N102 HydrophobicContact CG-CB 4.15Å; F66-N102 HydrophobicContact CZ-CB 3.59Å
103T72.6Confident83.3Confident76 Ų7659.2 Ų59.247%0.46631%0.314SS..SBendtrans-108.9133.2179.246.70000108.9E101 G105E101-T103 PolarHBondContact O-N 2.72Å; T103-G105 PolarHBondContact O-N 3.3Å
104F63.3Low82.5Confident91 Ų9163.2 Ų63.240%0.39934%0.335SS..  trans-59.5119.1156-131.6-95.9000105.8V25 F68 K71 A97 F106V25-F104 HydrophobicContact CG2-CE2 4.16Å; V25-F104 HydrophobicContact CG2-CZ 4.5Å; F68-F104 HydrophobicContact CB-CD2 4.27Å; F68-F104 HydrophobicContact CB-CE2 4.06Å; F68-F104 HydrophobicContact CD1-CD2 4.06Å; F68-F104 HydrophobicContact CD2-CD2 4.4Å; F68-F104 AromaticContact CG-CD2 3.98Å; F68-F104 HydrophobicContact CG-CD2 3.98Å; F68-F104 HydrophobicContact CG-CE2 4.2Å; K71-F104 HydrophobicContact CB-CD2 4.36Å; K71-F104 HydrophobicContact CB-CE2 4.5Å; K71-F104 HydrophobicContact CG-CE1 4.39Å; K71-F104 HydrophobicContact CG-CE2 4.37Å; K71-F104 HydrophobicContact CG-CZ 4.26Å; A97-F104 HydrophobicContact CB-CE2 4.35Å; F104-F106 PolarHBondContact O-N 3.16Å
105G57.1Low81.3Confident49 Ų4968.4 Ų68.451%0.50536%0.363SS..  trans-51.5135.9-176.400000111.2T103T103-G105 PolarHBondContact O-N 3.3Å
106F43.4Very low80Confident273 Ų27367.9 Ų67.9100%1.19737%0.37SS*.  trans-40.80-177-68.5-92.8000115.2F104F104-F106 PolarHBondContact O-N 3.16Å

Retrieved 106 of 106 residues in 300.7 ms (Link to these results)