A0A077Z6K4_TRITR Loading...

adenine phosphoribosyltransferase

Catalyzes a salvage reaction resulting in the formation of AMP, that is energically less costly than de novo synthesis.

AlphaFold DB , UniProt , Accession A0A077Z6K4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 244 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
1M38.9Very low76.4Confident240 Ų24089.6 Ų89.6100%1.18248%0.48SS*.  0113.20-172.7174167.300106.4L3M1-L3 PolarHBondContact O-N 2.82Å
2A53.8Low78Confident87 Ų8782.3 Ų82.372%0.71944%0.441SS*.PPolyproline II helixtrans-68.4118.4-179.500000108.5
3L59.6Low79.2Confident77 Ų7781.6 Ų81.640%0.40343%0.431SS..PPolyproline II helixtrans-56.7140.2171.3-91120.8000109.2M1 C7 E44M1-L3 PolarHBondContact O-N 2.82Å; L3-C7 HydrophobicContact CD2-CB 4.38Å; L3-E44 HydrophobicContact CD1-CB 4.38Å; L3-E44 HydrophobicContact CD1-CG 3.86Å
4S70.5Confident80.4Confident74 Ų7488.1 Ų88.152%0.51745%0.454SS..PPolyproline II helixtrans-67.5136.6170.171.10000109K6 C7 L8S4-K6 PolarHBondContact O-N 3.42Å; S4-K6 VanDerWaalsContact O-N 3.12Å; S4-C7 PolarHBondContact O-N 3.36Å; S4-C7 WeakPolarHBondContact OG-CB 3.13Å; S4-C7 PolarHBondContact OG-N 2.92Å; S4-L8 PolarHBondContact O-N 3.39Å
5L81.1Confident81.4Confident68 Ų6883.7 Ų83.736%0.35644%0.436SS..Hα-helixtrans-46.7-42.5175.9-93.1151000111.6C7 L8 E9 E52 L239L5-C7 PolarHBondContact O-N 3.36Å; L5-L8 PolarHBondContact O-N 3.06Å; L5-E9 WeakPolarHBondContact O-CB 3.1Å; L5-E9 PolarHBondContact O-N 2.67Å; L5-E52 HydrophobicContact CD1-CG 4.31Å; L5-E52 HydrophobicContact CD2-CG 4.37Å; L5-L239 HydrophobicContact CD2-CD2 3.57Å
6K82Confident82.1Confident155 Ų15579.8 Ų79.867%0.67442%0.415SS*.Hα-helixtrans-63.4-37.7179.6-167173.8-175.5176.80113.7S4 E10S4-K6 PolarHBondContact O-N 3.42Å; S4-K6 VanDerWaalsContact O-N 3.12Å; K6-E10 PolarHBondContact O-N 2.86Å
7C82.1Confident82.7Confident57 Ų5782.2 Ų82.239%0.38542%0.418SS..Hα-helixtrans-69.3-39.8178-178.10000111.4L3 S4 L5 K11L3-C7 HydrophobicContact CD2-CB 4.38Å; S4-C7 PolarHBondContact O-N 3.36Å; S4-C7 WeakPolarHBondContact OG-CB 3.13Å; S4-C7 PolarHBondContact OG-N 2.92Å; L5-C7 PolarHBondContact O-N 3.36Å; C7-K11 PolarHBondContact O-N 3Å
8L92.4Very high83.2Confident3 Ų382.4 Ų82.42%0.01642%0.42CS..Hα-helixtrans-67.3-41.9176.6179.161.9000111.6S4 L5 E10 K11 L12 L41 E44 C48S4-L8 PolarHBondContact O-N 3.39Å; L5-L8 PolarHBondContact O-N 3.06Å; L8-E10 VanDerWaalsContact C-N 3.28Å; L8-E10 PolarHBondContact O-N 3.28Å; L8-K11 PolarHBondContact O-N 3.33Å; L8-K11 VanDerWaalsContact O-N 3.08Å; L8-L12 HydrophobicContact CD1-CD1 4.24Å; L8-L12 HydrophobicContact CD1-CD2 4.41Å; L8-L12 HydrophobicContact CD1-CG 4.03Å; L8-L12 HydrophobicContact CD2-CD1 4.34Å; L8-L12 HydrophobicContact CG-CD1 3.79Å; L8-L12 HydrophobicContact CG-CG 4.09Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.43Å; L8-L12 PolarHBondContact O-N 3.28Å; L8-L41 HydrophobicContact CD1-CD1 3.89Å; L8-E44 HydrophobicContact CD1-CB 3.89Å; L8-C48 HydrophobicContact CD2-CB 3.31Å
9E92.7Very high83.4Confident55 Ų5584.1 Ų84.126%0.25742%0.422SS..Hα-helixtrans-51.7-46.6176.2-176-175.9166.400111.8L5 K11 L12 K13 L240L5-E9 WeakPolarHBondContact O-CB 3.1Å; L5-E9 PolarHBondContact O-N 2.67Å; E9-K11 PolarHBondContact O-N 3.35Å; E9-L12 PolarHBondContact O-N 3.08Å; E9-K13 HydrophobicContact CG-CD 4.37Å; E9-K13 WeakPolarHBondContact O-CG 3.46Å; E9-K13 PolarHBondContact O-N 2.91Å; E9-K13 VanDerWaalsContact OE1-CE 3.23Å; E9-K13 WeakPolarHBondContact OE1-CE 3.41Å; E9-K13 IonicContact OE1-NZ 2.76Å; E9-K13 PolarHBondContact OE1-NZ 3.22Å; E9-L240 HydrophobicContact CB-CD2 4.46Å; E9-L240 HydrophobicContact CG-CD2 3.83Å
10E92.8Very high83.7Confident94 Ų9488.1 Ų88.144%0.43944%0.436SS..Hα-helixtrans-63.9-39.5178-70.4-60.1136.300113K6 L8 K14K6-E10 PolarHBondContact O-N 2.86Å; L8-E10 VanDerWaalsContact C-N 3.28Å; L8-E10 PolarHBondContact O-N 3.28Å; E10-K14 VanDerWaalsContact O-CG 3.31Å; E10-K14 WeakPolarHBondContact O-CG 3.32Å; E10-K14 PolarHBondContact O-N 2.94Å
11K95.1Very high83.7Confident76 Ų7688.5 Ų88.533%0.3344%0.44SS..Hα-helixtrans-66.1-43.3175.8-66.6-177.4-176.3-175.80111.4C7 L8 E9 K14 A15 L41 E44C7-K11 PolarHBondContact O-N 3Å; L8-K11 PolarHBondContact O-N 3.33Å; L8-K11 VanDerWaalsContact O-N 3.08Å; E9-K11 PolarHBondContact O-N 3.35Å; K11-K14 PolarHBondContact O-N 3.09Å; K11-A15 PolarHBondContact O-N 3.48Å; K11-L41 HydrophobicContact CB-CD1 3.7Å; K11-L41 HydrophobicContact CD-CD1 4.33Å; K11-E44 VanDerWaalsContact CD-OE2 3.29Å; K11-E44 WeakPolarHBondContact CD-OE2 3.46Å; K11-E44 IonicContact NZ-OE1 2.74Å; K11-E44 PolarHBondContact NZ-OE1 3.05Å; K11-E44 IonicContact NZ-OE2 2.75Å; K11-E44 PolarHBondContact NZ-OE2 3.07Å
12L95.2Very high85.4Confident2 Ų282.4 Ų82.41%0.0141%0.407CS..Hα-helixtrans-63.7-46.7178.6-68.3172.1000111.4L8 E9 K14 A15 I16 I35 L41 L45 L219 L240L8-L12 HydrophobicContact CD1-CD1 4.24Å; L8-L12 HydrophobicContact CD1-CD2 4.41Å; L8-L12 HydrophobicContact CD1-CG 4.03Å; L8-L12 HydrophobicContact CD2-CD1 4.34Å; L8-L12 HydrophobicContact CG-CD1 3.79Å; L8-L12 HydrophobicContact CG-CG 4.09Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.43Å; L8-L12 PolarHBondContact O-N 3.28Å; E9-L12 PolarHBondContact O-N 3.08Å; L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 2.97Å; L12-A15 WeakPolarHBondContact O-CB 3.35Å; L12-A15 PolarHBondContact O-N 3.46Å; L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 2.97Å; L12-I35 HydrophobicContact CD2-CD1 3.93Å; L12-I35 HydrophobicContact CD2-CG1 4.16Å; L12-I35 HydrophobicContact CD2-CG2 3.74Å; L12-L41 HydrophobicContact CD2-CD1 3.92Å; L12-L41 HydrophobicContact CD2-CD2 4.27Å; L12-L41 HydrophobicContact CD2-CG 4.05Å; L12-L41 HydrophobicContact CG-CD1 4.37Å; L12-L45 HydrophobicContact CD1-CD1 4.13Å; L12-L45 HydrophobicContact CD2-CB 4.4Å; L12-L45 HydrophobicContact CD2-CD1 4.47Å; L12-L45 HydrophobicContact CD2-CD2 4.33Å; L12-L219 HydrophobicContact CD1-CD1 4.42Å; L12-L240 HydrophobicContact CB-CD1 4.06Å; L12-L240 HydrophobicContact CB-CD2 3.8Å; L12-L240 HydrophobicContact CB-CG 4.48Å; L12-L240 HydrophobicContact CD1-CD2 4.03Å; L12-L240 HydrophobicContact CD1-CG 4.5Å
13K94.2Very high86.7Confident73 Ų7382.8 Ų82.832%0.31740%0.402SS..Hα-helixtrans-58.4-36.6176.5-76.2-178.1-177.4169.90112.6E9 A15 I16 L240E9-K13 HydrophobicContact CG-CD 4.37Å; E9-K13 WeakPolarHBondContact O-CG 3.46Å; E9-K13 PolarHBondContact O-N 2.91Å; E9-K13 VanDerWaalsContact OE1-CE 3.23Å; E9-K13 WeakPolarHBondContact OE1-CE 3.41Å; E9-K13 IonicContact OE1-NZ 2.76Å; E9-K13 PolarHBondContact OE1-NZ 3.22Å; K13-A15 VanDerWaalsContact C-N 3.32Å; K13-A15 PolarHBondContact O-N 3.42Å; K13-I16 PolarHBondContact O-N 3.49Å; K13-L240 HydrophobicContact CG-CD2 4.17Å
14K95.3Very high87.7Confident173 Ų17384.5 Ų84.575%0.75241%0.407SS*.Hα-helixtrans-69.3-26.8176.4-74174.4-176.2179.90113.8E10 K11 L12E10-K14 VanDerWaalsContact O-CG 3.31Å; E10-K14 WeakPolarHBondContact O-CG 3.32Å; E10-K14 PolarHBondContact O-N 2.94Å; K11-K14 PolarHBondContact O-N 3.09Å; L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 2.97Å
15A95.1Very high88.3Confident22 Ų2286.4 Ų86.418%0.18242%0.417CS..Hα-helixtrans-78.3-32.2177.700000112K11 L12 K13 P34 I35 L41K11-A15 PolarHBondContact O-N 3.48Å; L12-A15 WeakPolarHBondContact O-CB 3.35Å; L12-A15 PolarHBondContact O-N 3.46Å; K13-A15 VanDerWaalsContact C-N 3.32Å; K13-A15 PolarHBondContact O-N 3.42Å; A15-P34 WeakPolarHBondContact O-CB 3.29Å; A15-I35 HydrophobicContact CB-CG1 3.92Å; A15-L41 HydrophobicContact CB-CD2 3.7Å
16I93.2Very high88.3Confident20 Ų2086.6 Ų86.610%0.10344%0.436CS..  trans-63.5139-176.6-68.2171.8000111.4L12 K13 R30 L32 I35 L240 F242L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 2.97Å; K13-I16 PolarHBondContact O-N 3.49Å; I16-R30 HydrophobicContact CG2-CB 4.04Å; I16-L32 HydrophobicContact CD1-CD2 3.41Å; I16-L32 VanDerWaalsContact CD1-CD2 3.41Å; I16-L32 HydrophobicContact CG1-CD2 3.67Å; I16-L32 HydrophobicContact CG2-CD2 4.46Å; I16-I35 HydrophobicContact CG1-CD1 4.27Å; I16-L240 HydrophobicContact CD1-CD1 3.34Å; I16-F242 HydrophobicContact CD1-CE2 4.39Å; I16-F242 HydrophobicContact CD1-CZ 3.8Å
17R92.1Very high88.1Confident121 Ų12182.2 Ų82.246%0.45742%0.421SS..EExtended strand (participates in β ladder)trans-112.9129.9175.1-64.7174.6-172.1171.54.8110Y19 D31 P34R17-Y19 HydrophobicContact CB-CE2 4.01Å; R17-D31 HydrophobicContact CB-CB 4.37Å; R17-D31 PolarHBondContact N-O 3.28Å; R17-D31 PolarHBondContact O-N 3.48Å; R17-P34 HydrophobicContact CG-CG 3.92Å
18D92Very high88.2Confident86 Ų8682.2 Ų82.246%0.4642%0.417SS..EExtended strand (participates in β ladder)trans-96.7127.6177.4-70.1-9.4000110.6I28 R30D18-I28 HydrophobicContact CB-CG2 4.01Å; D18-R30 WeakPolarHBondContact OD1-CG 3.23Å; D18-R30 IonicContact OD1-CZ 3.82Å; D18-R30 IonicContact OD1-NH1 2.8Å; D18-R30 PolarHBondContact OD1-NH1 2.9Å; D18-R30 IonicContact OD2-CZ 3.71Å; D18-R30 IonicContact OD2-NH1 3.17Å; D18-R30 PolarHBondContact OD2-NH1 3.45Å
19Y86.4Confident87.8Confident115 Ų11585 Ų8545%0.45143%0.429SS..EExtended strand (participates in β ladder)trans-112.2115.4172.8-69.6-92.4000109.3R17 F29 D31R17-Y19 HydrophobicContact CB-CE2 4.01Å; Y19-F29 HydrophobicContact CD2-CD1 4.33Å; Y19-F29 PolarHBondContact N-O 3.37Å; Y19-F29 PolarHBondContact O-N 2.93Å; Y19-D31 HydrophobicContact CD2-CB 4.17Å; Y19-D31 HydrophobicContact CE2-CB 3.93Å
20K89.6Confident87.6Confident164 Ų16484.2 Ų84.271%0.71342%0.424SS*.EExtended strand (participates in β ladder)trans-76.2149.2174.5-63.3-176-179-179.30110.6F22 V27K20-F22 PolarHBondContact O-N 2.89Å; K20-V27 CarbonylContact C-O 3.57Å
21D84.5Confident87.4Confident97 Ų9780.9 Ų80.952%0.51941%0.409SS..THydrogen-bonded Turntrans59.928.9174.1-56.1-50.9000114.2K24 P25 G26 V27D21-K24 CarbonylContact C-O 3.52Å; D21-K24 WeakPolarHBondContact CA-O 3.49Å; D21-K24 CarbonylContact O-C 3.4Å; D21-P25 WeakPolarHBondContact OD1-CA 3.33Å; D21-G26 PolarHBondContact OD1-N 3Å; D21-V27 PolarHBondContact N-O 3.24Å
22F73.8Confident87.1Confident112 Ų11277.8 Ų77.849%0.49140%0.396SS..  trans-123.2136176.4-174.7-92.6000111.1K20 K24 V27 F29K20-F22 PolarHBondContact O-N 2.89Å; F22-K24 PolarHBondContact N-O 3.23Å; F22-V27 WeakPolarHBondContact O-CB 3.43Å; F22-V27 VanDerWaalsContact O-CG1 3.25Å; F22-V27 WeakPolarHBondContact O-CG1 3.4Å; F22-F29 HydrophobicContact CB-CB 4.2Å; F22-F29 HydrophobicContact CD1-CB 3.74Å; F22-F29 AromaticContact CD1-CD1 3.98Å; F22-F29 HydrophobicContact CD1-CD1 3.98Å; F22-F29 HydrophobicContact CD1-CD2 4.02Å; F22-F29 AromaticContact CD1-CG 3.65Å; F22-F29 HydrophobicContact CD1-CG 3.65Å; F22-F29 HydrophobicContact CE1-CD1 4.33Å; F22-F29 HydrophobicContact CE1-CD2 4.28Å; F22-F29 HydrophobicContact CE1-CE2 4.48Å; F22-F29 HydrophobicContact CE1-CG 4.2Å; F22-F29 HydrophobicContact CG-CB 4.47Å; F22-F29 WeakPolarHBondContact O-CB 3.49Å
23P81.1Confident86.9Confident95 Ų9581.6 Ų81.662%0.61742%0.416SS*.SBendcis-77.4-1.5-5.534-36.4000113.3
24K80.9Confident86.9Confident113 Ų11378.6 Ų78.649%0.49140%0.404SS..SBendtrans-140.4157.5-180-61.7-177.8-175.3177.70110.3D21 F22 V27D21-K24 CarbonylContact C-O 3.52Å; D21-K24 WeakPolarHBondContact CA-O 3.49Å; D21-K24 CarbonylContact O-C 3.4Å; F22-K24 PolarHBondContact N-O 3.23Å; K24-V27 PolarHBondContact O-N 2.92Å
25P82.8Confident86.7Confident114 Ų11470.4 Ų70.474%0.7437%0.368SS*.THydrogen-bonded Turntrans-54.8141.8175.4-26.635.6000113.5D21 V27D21-P25 WeakPolarHBondContact OD1-CA 3.33Å; P25-V27 VanDerWaalsContact C-N 3.3Å
26G80.6Confident86.5Confident72 Ų7272.6 Ų72.674%0.74238%0.376SS*.THydrogen-bonded Turntrans82.6-1.6-179.700000115.2D21D21-G26 PolarHBondContact OD1-N 3Å
27V79Confident86.6Confident62 Ų6278 Ų7838%0.37640%0.401SS..  trans-100135.7175.7-178.60000110.1K20 D21 F22 K24 P25K20-V27 CarbonylContact C-O 3.57Å; D21-V27 PolarHBondContact N-O 3.24Å; F22-V27 WeakPolarHBondContact O-CB 3.43Å; F22-V27 VanDerWaalsContact O-CG1 3.25Å; F22-V27 WeakPolarHBondContact O-CG1 3.4Å; K24-V27 PolarHBondContact O-N 2.92Å; P25-V27 VanDerWaalsContact C-N 3.3Å
28I83.5Confident86.8Confident58 Ų5875.9 Ų75.930%0.29740%0.398SS..EExtended strand (participates in β ladder)trans-100.1106.5167.1-59.8174000107.5D18 R30D18-I28 HydrophobicContact CB-CG2 4.01Å; I28-R30 HydrophobicContact CG2-CG 4.44Å
29F85.2Confident86.9Confident61 Ų6175.7 Ų75.727%0.26841%0.409SS..EExtended strand (participates in β ladder)trans-83.8117.4173.5-179-95.4000110Y19 F22 D31Y19-F29 HydrophobicContact CD2-CD1 4.33Å; Y19-F29 PolarHBondContact N-O 3.37Å; Y19-F29 PolarHBondContact O-N 2.93Å; F22-F29 HydrophobicContact CB-CB 4.2Å; F22-F29 HydrophobicContact CD1-CB 3.74Å; F22-F29 AromaticContact CD1-CD1 3.98Å; F22-F29 HydrophobicContact CD1-CD1 3.98Å; F22-F29 HydrophobicContact CD1-CD2 4.02Å; F22-F29 AromaticContact CD1-CG 3.65Å; F22-F29 HydrophobicContact CD1-CG 3.65Å; F22-F29 HydrophobicContact CE1-CD1 4.33Å; F22-F29 HydrophobicContact CE1-CD2 4.28Å; F22-F29 HydrophobicContact CE1-CE2 4.48Å; F22-F29 HydrophobicContact CE1-CG 4.2Å; F22-F29 HydrophobicContact CG-CB 4.47Å; F22-F29 WeakPolarHBondContact O-CB 3.49Å; F29-D31 HydrophobicContact CD1-CB 4.34Å; F29-D31 HydrophobicContact CE1-CB 3.95Å
30R87.3Confident87.4Confident39 Ų3976 Ų7615%0.14741%0.414CS..EExtended strand (participates in β ladder)trans-93107.3176.7-56.2-170.1174.3-843.9109.1I16 D18 I28 L32 S244I16-R30 HydrophobicContact CG2-CB 4.04Å; D18-R30 WeakPolarHBondContact OD1-CG 3.23Å; D18-R30 IonicContact OD1-CZ 3.82Å; D18-R30 IonicContact OD1-NH1 2.8Å; D18-R30 PolarHBondContact OD1-NH1 2.9Å; D18-R30 IonicContact OD2-CZ 3.71Å; D18-R30 IonicContact OD2-NH1 3.17Å; D18-R30 PolarHBondContact OD2-NH1 3.45Å; I28-R30 HydrophobicContact CG2-CG 4.44Å; R30-L32 PolarHBondContact O-N 3.27Å; R30-S244 PolarHBondContact NH2-O 3.22Å
31D89.6Confident87.7Confident24 Ų2468.6 Ų68.613%0.12838%0.382CS..EExtended strand (participates in β ladder)trans-80.4114.7177.1-177.518.7000110.5R17 Y19 F29 L33 P34R17-D31 HydrophobicContact CB-CB 4.37Å; R17-D31 PolarHBondContact N-O 3.28Å; R17-D31 PolarHBondContact O-N 3.48Å; Y19-D31 HydrophobicContact CD2-CB 4.17Å; Y19-D31 HydrophobicContact CE2-CB 3.93Å; F29-D31 HydrophobicContact CD1-CB 4.34Å; F29-D31 HydrophobicContact CE1-CB 3.95Å; D31-L33 VanDerWaalsContact OD1-CB 3.25Å; D31-L33 WeakPolarHBondContact OD1-CB 3.18Å; D31-L33 WeakPolarHBondContact OD1-CG 3.33Å; D31-L33 PolarHBondContact OD1-N 2.75Å; D31-P34 WeakPolarHBondContact O-CD 3.45Å
32L88.4Confident88.2Confident10 Ų1064.7 Ų64.75%0.05236%0.361CS..  trans-90.7-13.2179.1-54.5-177.4000112.5I16 R30 P34 I35 D130 V131 L219 A220I16-L32 HydrophobicContact CD1-CD2 3.41Å; I16-L32 VanDerWaalsContact CD1-CD2 3.41Å; I16-L32 HydrophobicContact CG1-CD2 3.67Å; I16-L32 HydrophobicContact CG2-CD2 4.46Å; R30-L32 PolarHBondContact O-N 3.27Å; L32-P34 VanDerWaalsContact C-N 3.32Å; L32-I35 HydrophobicContact CB-CD1 4.37Å; L32-I35 VanDerWaalsContact O-CB 3.32Å; L32-I35 WeakPolarHBondContact O-CB 3.45Å; L32-I35 WeakPolarHBondContact O-CG1 3.32Å; L32-I35 PolarHBondContact O-N 2.91Å; L32-I35 VanDerWaalsContact O-N 3.09Å; L32-D130 HydrophobicContact CD1-CB 4.3Å; L32-V131 HydrophobicContact CD1-CG2 3.86Å; L32-L219 HydrophobicContact CB-CD2 4.31Å; L32-L219 HydrophobicContact CD1-CB 4.46Å; L32-L219 HydrophobicContact CD1-CD2 3.86Å; L32-L219 HydrophobicContact CD1-CG 4.17Å; L32-A220 HydrophobicContact CD1-CB 4.37Å
33L90Very high89.2Confident83 Ų8362.5 Ų62.544%0.43535%0.354SS..Hα-helixtrans-59.9-29.1-177.6-64.4177.6000115D31 I35 M36 Q37 L72D31-L33 VanDerWaalsContact OD1-CB 3.25Å; D31-L33 WeakPolarHBondContact OD1-CB 3.18Å; D31-L33 WeakPolarHBondContact OD1-CG 3.33Å; D31-L33 PolarHBondContact OD1-N 2.75Å; L33-I35 PolarHBondContact O-N 3.04Å; L33-M36 HydrophobicContact CD2-SD 4.12Å; L33-M36 WeakPolarHBondContact O-CA 3.33Å; L33-M36 WeakPolarHBondContact O-CB 3.35Å; L33-M36 PolarHBondContact O-N 3.24Å; L33-Q37 PolarHBondContact O-N 3.44Å; L33-L72 HydrophobicContact CD2-CD1 3.56Å
34P94.2Very high89.9Confident10 Ų1058.8 Ų58.87%0.06533%0.329CS..Hα-helixtrans-59.2-25.8174.3-27.436.3000113.8A15 R17 D31 L32 M36 Q37A15-P34 WeakPolarHBondContact O-CB 3.29Å; R17-P34 HydrophobicContact CG-CG 3.92Å; D31-P34 WeakPolarHBondContact O-CD 3.45Å; L32-P34 VanDerWaalsContact C-N 3.32Å; P34-M36 PolarHBondContact O-N 2.89Å; P34-Q37 WeakPolarHBondContact O-CB 3.41Å; P34-Q37 PolarHBondContact O-N 2.89Å
35I92.2Very high90.5Very high0 Ų053.4 Ų53.40%031%0.305CS..Hα-helixtrans-58-40.7172.8-59.9166000109.2L12 A15 I16 L32 L33 Q37 D38 L41 M42 L45 L219L12-I35 HydrophobicContact CD2-CD1 3.93Å; L12-I35 HydrophobicContact CD2-CG1 4.16Å; L12-I35 HydrophobicContact CD2-CG2 3.74Å; A15-I35 HydrophobicContact CB-CG1 3.92Å; I16-I35 HydrophobicContact CG1-CD1 4.27Å; L32-I35 HydrophobicContact CB-CD1 4.37Å; L32-I35 VanDerWaalsContact O-CB 3.32Å; L32-I35 WeakPolarHBondContact O-CB 3.45Å; L32-I35 WeakPolarHBondContact O-CG1 3.32Å; L32-I35 PolarHBondContact O-N 2.91Å; L32-I35 VanDerWaalsContact O-N 3.09Å; L33-I35 PolarHBondContact O-N 3.04Å; I35-Q37 VanDerWaalsContact C-N 3.25Å; I35-Q37 PolarHBondContact O-N 3.47Å; I35-D38 PolarHBondContact O-N 3.06Å; I35-L41 HydrophobicContact CG1-CD2 4.5Å; I35-L41 HydrophobicContact CG2-CD2 4.11Å; I35-L41 HydrophobicContact CG2-CG 4.11Å; I35-M42 HydrophobicContact CB-SD 4.39Å; I35-M42 HydrophobicContact CG2-SD 3.63Å; I35-M42 VanDerWaalsContact O-CG 3.23Å; I35-M42 WeakPolarHBondContact O-CG 3.48Å; I35-L45 HydrophobicContact CG2-CD2 3.98Å; I35-L219 HydrophobicContact CD1-CD2 3.95Å
36M91.3Very high91.1Very high69 Ų6948.7 Ų48.734%0.3427%0.274SS..Hα-helixtrans-70.8-16.5178.7-56-172.772.600114.6L33 P34 D38 M42 L72 F73L33-M36 HydrophobicContact CD2-SD 4.12Å; L33-M36 WeakPolarHBondContact O-CA 3.33Å; L33-M36 WeakPolarHBondContact O-CB 3.35Å; L33-M36 PolarHBondContact O-N 3.24Å; P34-M36 PolarHBondContact O-N 2.89Å; M36-D38 VanDerWaalsContact C-N 3.3Å; M36-M42 VanDerWaalsContact CA-SD 3.6Å; M36-M42 HydrophobicContact CB-CG 4.45Å; M36-M42 HydrophobicContact CB-SD 4.18Å; M36-M42 HydrophobicContact CE-CE 4.49Å; M36-M42 HydrophobicContact CG-CE 4.06Å; M36-M42 HydrophobicContact CG-SD 3.74Å; M36-L72 HydrophobicContact CE-CB 3.98Å; M36-L72 HydrophobicContact CE-CD2 4.31Å; M36-L72 HydrophobicContact SD-CB 3.78Å; M36-L72 HydrophobicContact SD-CD1 3.9Å; M36-L72 HydrophobicContact SD-CD2 4.27Å; M36-L72 HydrophobicContact SD-CG 4.19Å; M36-F73 HydrophobicContact CG-CZ 4.35Å; M36-F73 HydrophobicContact SD-CZ 4.46Å
37Q94.3Very high91.7Very high133 Ų13348.7 Ų48.762%0.62126%0.257SS*.Hα-helixtrans-81.1-15.6177.2-61.8174.512.200111.8L33 P34 I35L33-Q37 PolarHBondContact O-N 3.44Å; P34-Q37 WeakPolarHBondContact O-CB 3.41Å; P34-Q37 PolarHBondContact O-N 2.89Å; I35-Q37 VanDerWaalsContact C-N 3.25Å; I35-Q37 PolarHBondContact O-N 3.47Å
38D95.9Very high92.4Very high77 Ų7746.6 Ų46.641%0.41225%0.245SC..  trans-107100.6173.2-177-21.4000109.7I35 M36 H40 L41 M42I35-D38 PolarHBondContact O-N 3.06Å; M36-D38 VanDerWaalsContact C-N 3.3Å; D38-H40 PolarHBondContact O-N 3.18Å; D38-H40 WeakPolarHBondContact OD1-CA 3.41Å; D38-H40 WeakPolarHBondContact OD1-CB 3.27Å; D38-H40 PolarHBondContact OD1-N 3.22Å; D38-L41 HydrophobicContact CB-CB 3.8Å; D38-L41 PolarHBondContact O-N 2.87Å; D38-L41 PolarHBondContact OD1-N 3.48Å; D38-M42 WeakPolarHBondContact O-CG 3.41Å; D38-M42 PolarHBondContact O-N 2.94Å
39A95.3Very high92.8Very high82 Ų8243.9 Ų43.968%0.67823%0.231SC*.Hα-helixtrans-60.8-30.4-17900000113.1N43A39-N43 PolarHBondContact O-N 3.09Å; A39-N43 VanDerWaalsContact O-N 3.08Å
40H96Very high93.2Very high122 Ų12241.6 Ų41.657%0.56522%0.222SC*.Hα-helixtrans-73-47.3178.4-175.261.1000110.4D38 M42 N43 E44D38-H40 PolarHBondContact O-N 3.18Å; D38-H40 WeakPolarHBondContact OD1-CA 3.41Å; D38-H40 WeakPolarHBondContact OD1-CB 3.27Å; D38-H40 PolarHBondContact OD1-N 3.22Å; H40-M42 VanDerWaalsContact C-N 3.33Å; H40-M42 PolarHBondContact O-N 2.79Å; H40-N43 PolarHBondContact O-N 2.89Å; H40-N43 VanDerWaalsContact O-N 3.14Å; H40-E44 IonicContact CE1-OE1 2.57Å; H40-E44 IonicContact NE2-OE1 3.61Å; H40-E44 PolarHBondContact NE2-OE1 3.01Å; H40-E44 PolarHBondContact O-N 3.34Å
41L95.7Very high93.4Very high7 Ų741.5 Ų41.54%0.03723%0.227CC..Hα-helixtrans-61-40.7175.1-176.859.6000112L8 K11 L12 A15 I35 D38 N43 E44 L45L8-L41 HydrophobicContact CD1-CD1 3.89Å; K11-L41 HydrophobicContact CB-CD1 3.7Å; K11-L41 HydrophobicContact CD-CD1 4.33Å; L12-L41 HydrophobicContact CD2-CD1 3.92Å; L12-L41 HydrophobicContact CD2-CD2 4.27Å; L12-L41 HydrophobicContact CD2-CG 4.05Å; L12-L41 HydrophobicContact CG-CD1 4.37Å; A15-L41 HydrophobicContact CB-CD2 3.7Å; I35-L41 HydrophobicContact CG1-CD2 4.5Å; I35-L41 HydrophobicContact CG2-CD2 4.11Å; I35-L41 HydrophobicContact CG2-CG 4.11Å; D38-L41 HydrophobicContact CB-CB 3.8Å; D38-L41 PolarHBondContact O-N 2.87Å; D38-L41 PolarHBondContact OD1-N 3.48Å; L41-N43 VanDerWaalsContact C-N 3.32Å; L41-N43 PolarHBondContact O-N 3.1Å; L41-E44 PolarHBondContact O-N 3.25Å; L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 PolarHBondContact O-N 3.12Å
42M94.6Very high93.6Very high15 Ų1541 Ų417%0.07422%0.224CC..Hα-helixtrans-59.1-43.6172.8-79.9-57.1-66.800112.4I35 M36 D38 H40 L45 L46 F73 L76I35-M42 HydrophobicContact CB-SD 4.39Å; I35-M42 HydrophobicContact CG2-SD 3.63Å; I35-M42 VanDerWaalsContact O-CG 3.23Å; I35-M42 WeakPolarHBondContact O-CG 3.48Å; M36-M42 VanDerWaalsContact CA-SD 3.6Å; M36-M42 HydrophobicContact CB-CG 4.45Å; M36-M42 HydrophobicContact CB-SD 4.18Å; M36-M42 HydrophobicContact CE-CE 4.49Å; M36-M42 HydrophobicContact CG-CE 4.06Å; M36-M42 HydrophobicContact CG-SD 3.74Å; D38-M42 WeakPolarHBondContact O-CG 3.41Å; D38-M42 PolarHBondContact O-N 2.94Å; H40-M42 VanDerWaalsContact C-N 3.33Å; H40-M42 PolarHBondContact O-N 2.79Å; M42-L45 PolarHBondContact O-N 3.42Å; M42-L45 HydrophobicContact SD-CD2 4.41Å; M42-L46 VanDerWaalsContact O-CG 3.32Å; M42-L46 WeakPolarHBondContact O-CG 3.5Å; M42-L46 PolarHBondContact O-N 2.95Å; M42-F73 HydrophobicContact CE-CD1 3.91Å; M42-F73 HydrophobicContact CE-CE1 3.72Å; M42-F73 HydrophobicContact SD-CE1 4.04Å; M42-L76 HydrophobicContact CE-CD1 4.2Å
43N95.3Very high93.6Very high66 Ų6640.6 Ų40.635%0.35322%0.222SC..Hα-helixtrans-65.9-41.7178.9-172.661.5000111.4A39 H40 L41 L45 L46 D47 R80A39-N43 PolarHBondContact O-N 3.09Å; A39-N43 VanDerWaalsContact O-N 3.08Å; H40-N43 PolarHBondContact O-N 2.89Å; H40-N43 VanDerWaalsContact O-N 3.14Å; L41-N43 VanDerWaalsContact C-N 3.32Å; L41-N43 PolarHBondContact O-N 3.1Å; N43-L45 VanDerWaalsContact C-N 3.33Å; N43-L45 PolarHBondContact O-N 2.97Å; N43-L46 PolarHBondContact O-N 3.34Å; N43-D47 PolarHBondContact ND2-OD2 2.85Å; N43-D47 WeakPolarHBondContact O-CB 3.22Å; N43-D47 PolarHBondContact O-N 2.93Å; N43-R80 PolarHBondContact OD1-NH1 2.75Å
44E95.4Very high93.7Very high18 Ų1844.4 Ų44.48%0.08423%0.231CC..Hα-helixtrans-60.9-40.9174.1-68.3-171.1160.200112.1L3 L8 K11 H40 L41 D47 C48L3-E44 HydrophobicContact CD1-CB 4.38Å; L3-E44 HydrophobicContact CD1-CG 3.86Å; L8-E44 HydrophobicContact CD1-CB 3.89Å; K11-E44 VanDerWaalsContact CD-OE2 3.29Å; K11-E44 WeakPolarHBondContact CD-OE2 3.46Å; K11-E44 IonicContact NZ-OE1 2.74Å; K11-E44 PolarHBondContact NZ-OE1 3.05Å; K11-E44 IonicContact NZ-OE2 2.75Å; K11-E44 PolarHBondContact NZ-OE2 3.07Å; H40-E44 IonicContact CE1-OE1 2.57Å; H40-E44 IonicContact NE2-OE1 3.61Å; H40-E44 PolarHBondContact NE2-OE1 3.01Å; H40-E44 PolarHBondContact O-N 3.34Å; L41-E44 PolarHBondContact O-N 3.25Å; E44-D47 PolarHBondContact O-N 2.86Å; E44-C48 WeakPolarHBondContact O-CB 3.21Å; E44-C48 PolarHBondContact O-N 3.2Å
45L94.2Very high93.6Very high0 Ų050.3 Ų50.30%026%0.255CS..Hα-helixtrans-61.5-48.6175.3172.760.2000111.7L12 I35 L41 M42 N43 C48 L49 F73 L219 L239L12-L45 HydrophobicContact CD1-CD1 4.13Å; L12-L45 HydrophobicContact CD2-CB 4.4Å; L12-L45 HydrophobicContact CD2-CD1 4.47Å; L12-L45 HydrophobicContact CD2-CD2 4.33Å; I35-L45 HydrophobicContact CG2-CD2 3.98Å; L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 PolarHBondContact O-N 3.12Å; M42-L45 PolarHBondContact O-N 3.42Å; M42-L45 HydrophobicContact SD-CD2 4.41Å; N43-L45 VanDerWaalsContact C-N 3.33Å; N43-L45 PolarHBondContact O-N 2.97Å; L45-C48 WeakPolarHBondContact O-CB 3.36Å; L45-C48 PolarHBondContact O-N 2.91Å; L45-L49 HydrophobicContact CD1-CD1 3.82Å; L45-L49 HydrophobicContact CD1-CG 3.98Å; L45-L49 HydrophobicContact CG-CD1 3.95Å; L45-L49 HydrophobicContact CG-CG 4.5Å; L45-L49 WeakPolarHBondContact O-CG 3.16Å; L45-L49 PolarHBondContact O-N 2.75Å; L45-F73 HydrophobicContact CD2-CD1 4.11Å; L45-F73 HydrophobicContact CD2-CE1 3.73Å; L45-L219 HydrophobicContact CD1-CD1 3.79Å; L45-L219 HydrophobicContact CD2-CD1 3.89Å; L45-L219 HydrophobicContact CD2-CD2 4.35Å; L45-L239 HydrophobicContact CD1-CD1 3.34Å
46L94.2Very high93.4Very high15 Ų1555.4 Ų55.48%0.07927%0.274CS..Hα-helixtrans-64.2-41.5178.6-69.3172.1000111.7M42 N43 C48 L49 V50 L76 I77M42-L46 VanDerWaalsContact O-CG 3.32Å; M42-L46 WeakPolarHBondContact O-CG 3.5Å; M42-L46 PolarHBondContact O-N 2.95Å; N43-L46 PolarHBondContact O-N 3.34Å; L46-C48 VanDerWaalsContact C-N 3.29Å; L46-C48 PolarHBondContact O-N 2.88Å; L46-L49 PolarHBondContact O-N 2.92Å; L46-V50 WeakPolarHBondContact O-CB 3.17Å; L46-V50 WeakPolarHBondContact O-CG2 3.33Å; L46-V50 PolarHBondContact O-N 2.92Å; L46-L76 HydrophobicContact CD1-CB 4.03Å; L46-L76 HydrophobicContact CD1-CD1 4.2Å; L46-L76 HydrophobicContact CD2-CB 3.74Å; L46-I77 HydrophobicContact CD2-CG1 3.94Å
47D94.3Very high93.2Very high71 Ų7152.8 Ų52.838%0.3826%0.263SS..Hα-helixtrans-57.3-44.3173.8-80.6-30.9000111.3N43 E44 S51 R80N43-D47 PolarHBondContact ND2-OD2 2.85Å; N43-D47 WeakPolarHBondContact O-CB 3.22Å; N43-D47 PolarHBondContact O-N 2.93Å; E44-D47 PolarHBondContact O-N 2.86Å; D47-S51 WeakPolarHBondContact O-CB 3.45Å; D47-S51 PolarHBondContact O-N 2.98Å; D47-R80 IonicContact OD1-CZ 2.86Å; D47-R80 IonicContact OD1-NH1 2.83Å; D47-R80 IonicContact OD1-NH2 3.21Å; D47-R80 PolarHBondContact OD1-NH2 3.26Å
48C93.6Very high92.9Very high18 Ų1850 Ų5012%0.12227%0.27CS..Hα-helixtrans-64.9-51.9177.3-177.60000111.8L8 E44 L45 L46 V50 S51 E52L8-C48 HydrophobicContact CD2-CB 3.31Å; E44-C48 WeakPolarHBondContact O-CB 3.21Å; E44-C48 PolarHBondContact O-N 3.2Å; L45-C48 WeakPolarHBondContact O-CB 3.36Å; L45-C48 PolarHBondContact O-N 2.91Å; L46-C48 VanDerWaalsContact C-N 3.29Å; L46-C48 PolarHBondContact O-N 2.88Å; C48-V50 VanDerWaalsContact C-N 3.33Å; C48-V50 PolarHBondContact O-N 2.79Å; C48-S51 PolarHBondContact O-N 2.73Å; C48-E52 WeakPolarHBondContact O-CB 3.48Å; C48-E52 WeakPolarHBondContact O-CG 3.26Å; C48-E52 PolarHBondContact O-N 2.97Å
49L92.2Very high92.6Very high1 Ų153.3 Ų53.31%0.00528%0.281CS..Hα-helixtrans-58.2-44.2-179.3-74.4171.4000111.9L45 L46 S53 I77 F128 F217 L239L45-L49 HydrophobicContact CD1-CD1 3.82Å; L45-L49 HydrophobicContact CD1-CG 3.98Å; L45-L49 HydrophobicContact CG-CD1 3.95Å; L45-L49 HydrophobicContact CG-CG 4.5Å; L45-L49 WeakPolarHBondContact O-CG 3.16Å; L45-L49 PolarHBondContact O-N 2.75Å; L46-L49 PolarHBondContact O-N 2.92Å; L49-S53 VanDerWaalsContact O-CB 3.27Å; L49-S53 WeakPolarHBondContact O-CB 3.5Å; L49-S53 PolarHBondContact O-N 2.95Å; L49-S53 PolarHBondContact O-OG 3.15Å; L49-I77 HydrophobicContact CD1-CD1 3.85Å; L49-I77 HydrophobicContact CD1-CG1 4.21Å; L49-F128 HydrophobicContact CD1-CE2 3.95Å; L49-F128 HydrophobicContact CD2-CE2 4.28Å; L49-F217 HydrophobicContact CD2-CD1 3.68Å; L49-F217 HydrophobicContact CD2-CE1 4.34Å; L49-L239 HydrophobicContact CD2-CD1 3.52Å; L49-L239 HydrophobicContact CD2-CG 4.17Å; L49-L239 HydrophobicContact CG-CD1 3.95Å
50V92.4Very high92.6Very high13 Ų1350.3 Ų50.38%0.07925%0.253CS..Hα-helixtrans-66.8-43.1178171.80000111.1L46 C48 S53 R54 R80 M81L46-V50 WeakPolarHBondContact O-CB 3.17Å; L46-V50 WeakPolarHBondContact O-CG2 3.33Å; L46-V50 PolarHBondContact O-N 2.92Å; C48-V50 VanDerWaalsContact C-N 3.33Å; C48-V50 PolarHBondContact O-N 2.79Å; V50-S53 PolarHBondContact O-N 2.78Å; V50-R54 WeakPolarHBondContact O-CG 3.39Å; V50-R54 PolarHBondContact O-N 3.02Å; V50-R80 HydrophobicContact CG2-CB 3.62Å; V50-M81 HydrophobicContact CB-CG 4.47Å; V50-M81 HydrophobicContact CG1-CG 4.06Å; V50-M81 HydrophobicContact CG2-CG 3.96Å
51S92.9Very high92.6Very high38 Ų3846.7 Ų46.727%0.26624%0.238SC..Hα-helixtrans-61.5-47.9177.4-171.60000111.5D47 C48 R54 K55D47-S51 WeakPolarHBondContact O-CB 3.45Å; D47-S51 PolarHBondContact O-N 2.98Å; C48-S51 PolarHBondContact O-N 2.73Å; S51-R54 PolarHBondContact O-N 2.97Å; S51-K55 VanDerWaalsContact O-CG 3.3Å; S51-K55 WeakPolarHBondContact O-CG 3.38Å; S51-K55 PolarHBondContact O-N 2.77Å; S51-K55 VanDerWaalsContact OG-CE 3.3Å; S51-K55 WeakPolarHBondContact OG-CE 3.41Å; S51-K55 PolarHBondContact OG-NZ 3.41Å
52E92.5Very high92.7Very high13 Ų1346.4 Ų46.46%0.06124%0.237CC..Hα-helixtrans-66-38.7177.6-70.2-56.4114.200112L5 C48 R54 K55 R56 F217 L237L5-E52 HydrophobicContact CD1-CG 4.31Å; L5-E52 HydrophobicContact CD2-CG 4.37Å; C48-E52 WeakPolarHBondContact O-CB 3.48Å; C48-E52 WeakPolarHBondContact O-CG 3.26Å; C48-E52 PolarHBondContact O-N 2.97Å; E52-R54 VanDerWaalsContact C-N 3.35Å; E52-R54 PolarHBondContact O-N 3.48Å; E52-K55 PolarHBondContact O-N 3.31Å; E52-K55 IonicContact OE1-NZ 3Å; E52-K55 PolarHBondContact OE1-NZ 2.95Å; E52-R56 VanDerWaalsContact O-CB 3.29Å; E52-R56 WeakPolarHBondContact O-CB 3.48Å; E52-R56 VanDerWaalsContact O-CG 3.26Å; E52-R56 WeakPolarHBondContact O-CG 3.4Å; E52-R56 PolarHBondContact O-N 3.16Å; E52-R56 IonicContact OE2-CZ 3.86Å; E52-R56 IonicContact OE2-NE 3.37Å; E52-R56 PolarHBondContact OE2-NE 2.83Å; E52-R56 IonicContact OE2-NH2 2.63Å; E52-R56 PolarHBondContact OE2-NH2 2.93Å; E52-F217 HydrophobicContact CB-CE1 3.76Å; E52-F217 HydrophobicContact CB-CZ 4.02Å; E52-L237 HydrophobicContact CB-CD2 4.18Å; E52-L237 HydrophobicContact CG-CD2 4.26Å
53S89.9Confident92.9Very high1 Ų145.7 Ų45.71%0.00723%0.233CC..Hα-helixtrans-59.6-45.8174.7-60.50000111.1L49 V50 K55 C57 L126L49-S53 VanDerWaalsContact O-CB 3.27Å; L49-S53 WeakPolarHBondContact O-CB 3.5Å; L49-S53 PolarHBondContact O-N 2.95Å; L49-S53 PolarHBondContact O-OG 3.15Å; V50-S53 PolarHBondContact O-N 2.78Å; S53-K55 PolarHBondContact O-N 2.72Å; S53-C57 WeakPolarHBondContact O-CB 3.37Å; S53-C57 PolarHBondContact O-N 3.05Å; S53-C57 PolarHBondContact O-SG 2.9Å; S53-L126 WeakPolarHBondContact OG-CD2 3.3Å
54R91Very high93Very high163 Ų16342.6 Ų42.662%0.61522%0.216SC*.Hα-helixtrans-68.9-30.7179.2-71.2176.7-178.7-173.63.2113.9V50 S51 E52V50-R54 WeakPolarHBondContact O-CG 3.39Å; V50-R54 PolarHBondContact O-N 3.02Å; S51-R54 PolarHBondContact O-N 2.97Å; E52-R54 VanDerWaalsContact C-N 3.35Å; E52-R54 PolarHBondContact O-N 3.48Å
55K91.5Very high92.9Very high135 Ų13541.7 Ų41.759%0.58721%0.212SC*.Hα-helixtrans-77.7-38.6178.3-71.4172.8-162.3162.90112.5S51 E52 S53S51-K55 VanDerWaalsContact O-CG 3.3Å; S51-K55 WeakPolarHBondContact O-CG 3.38Å; S51-K55 PolarHBondContact O-N 2.77Å; S51-K55 VanDerWaalsContact OG-CE 3.3Å; S51-K55 WeakPolarHBondContact OG-CE 3.41Å; S51-K55 PolarHBondContact OG-NZ 3.41Å; E52-K55 PolarHBondContact O-N 3.31Å; E52-K55 IonicContact OE1-NZ 3Å; E52-K55 PolarHBondContact OE1-NZ 2.95Å; S53-K55 PolarHBondContact O-N 2.72Å
56R90Very high92.8Very high106 Ų10641.8 Ų41.840%0.421%0.213SC..Hα-helixtrans-90.9-29.1-170.5-66.8171.3-179.3-85.6-7112.8E52 Y215E52-R56 VanDerWaalsContact O-CB 3.29Å; E52-R56 WeakPolarHBondContact O-CB 3.48Å; E52-R56 VanDerWaalsContact O-CG 3.26Å; E52-R56 WeakPolarHBondContact O-CG 3.4Å; E52-R56 PolarHBondContact O-N 3.16Å; E52-R56 IonicContact OE2-CZ 3.86Å; E52-R56 IonicContact OE2-NE 3.37Å; E52-R56 PolarHBondContact OE2-NE 2.83Å; E52-R56 IonicContact OE2-NH2 2.63Å; E52-R56 PolarHBondContact OE2-NH2 2.93Å; R56-Y215 HydrophobicContact CB-CD2 4.03Å; R56-Y215 HydrophobicContact CB-CE2 3.79Å; R56-Y215 HydrophobicContact CG-CE2 4.35Å; R56-Y215 PolarHBondContact NH1-OH 2.97Å; R56-Y215 VanDerWaalsContact NH1-OH 3.08Å
57C86.7Confident92.4Very high14 Ų1443.4 Ų43.410%0.09522%0.22CC..  trans-105.4144-177-45.20000109.7S53 I60 Y215S53-C57 WeakPolarHBondContact O-CB 3.37Å; S53-C57 PolarHBondContact O-N 3.05Å; S53-C57 PolarHBondContact O-SG 2.9Å; C57-I60 HydrophobicContact CB-CD1 3.47Å; C57-I60 VanDerWaalsContact CB-CD1 3.47Å; C57-I60 HydrophobicContact CB-CG1 3.65Å; C57-Y215 WeakPolarHBondContact SG-CB 3.35Å
58G86.6Confident91.9Very high75 Ų7543.5 Ų43.577%0.77323%0.231SC*.SBendtrans-76.9-11716300000110.2I60G58-I60 PolarHBondContact O-N 3.2Å
59K91.1Very high91.5Very high146 Ų14647.5 Ų47.564%0.63524%0.243SC*.  trans-68.5130.6176.9-172.5178.4179.6-175.80110.7N61 F124K59-N61 WeakPolarHBondContact CE-ND2 3.47Å; K59-F124 VanDerWaalsContact O-CB 3.23Å; K59-F124 WeakPolarHBondContact O-CB 3.33Å
60I95.1Very high91.3Very high20 Ų2047.4 Ų47.410%0.10324%0.243CC..  trans-126.7128.6166.9-50.4-176.5000107.8C57 G58 A62 M81 L83 L126C57-I60 HydrophobicContact CB-CD1 3.47Å; C57-I60 VanDerWaalsContact CB-CD1 3.47Å; C57-I60 HydrophobicContact CB-CG1 3.65Å; G58-I60 PolarHBondContact O-N 3.2Å; I60-A62 VanDerWaalsContact CG2-O 3.31Å; I60-A62 WeakPolarHBondContact CG2-O 3.46Å; I60-M81 HydrophobicContact CD1-CE 3.83Å; I60-L83 HydrophobicContact CB-CD1 3.95Å; I60-L83 HydrophobicContact CG2-CD1 3.73Å; I60-L83 WeakPolarHBondContact O-CD2 3.44Å; I60-L126 HydrophobicContact CD1-CB 4.11Å; I60-L126 HydrophobicContact CD1-CD1 4.24Å; I60-L126 HydrophobicContact CG2-CB 3.96Å
61N96.4Very high91.2Very high45 Ų4549.4 Ų49.424%0.24125%0.251CS..  trans-94.9-31.2-178.7-68.1100.4000113K59 P84 F124K59-N61 WeakPolarHBondContact CE-ND2 3.47Å; N61-P84 WeakPolarHBondContact O-CD 3.29Å; N61-F124 WeakPolarHBondContact CB-O 3.43Å; N61-F124 PolarHBondContact N-O 3.33Å; N61-F124 PolarHBondContact OD1-N 3.17Å
62A97.4Very high91Very high2 Ų250.4 Ų50.42%0.01725%0.253CS..EExtended strand (participates in β ladder)trans-157159.1179.600000111.1I60 P84 V86 L119 V125 L126I60-A62 VanDerWaalsContact CG2-O 3.31Å; I60-A62 WeakPolarHBondContact CG2-O 3.46Å; A62-P84 WeakPolarHBondContact CA-O 3.26Å; A62-P84 HydrophobicContact CB-CB 4.23Å; A62-V86 HydrophobicContact CB-CG2 4.28Å; A62-L119 HydrophobicContact CB-CD2 3.63Å; A62-V125 HydrophobicContact CB-CG1 4.18Å; A62-V125 WeakPolarHBondContact O-CA 3.43Å; A62-L126 PolarHBondContact O-N 3Å
63V97.3Very high90.9Very high0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-98.7126.6166.1-179.90000108.3I77 A78 M81 L83 P84 F85 V86 L126V63-I77 HydrophobicContact CG2-CG2 4.24Å; V63-A78 HydrophobicContact CB-CB 3.87Å; V63-A78 HydrophobicContact CG2-CB 3.99Å; V63-M81 HydrophobicContact CG2-SD 4.34Å; V63-L83 HydrophobicContact CG2-CD1 4.39Å; V63-P84 PolarHBondContact N-O 2.88Å; V63-F85 CarbonylContact O-C 3.58Å; V63-F85 WeakPolarHBondContact O-CA 3.47Å; V63-F85 WeakPolarHBondContact O-CD2 3.41Å; V63-V86 PolarHBondContact O-N 3.23Å; V63-L126 WeakPolarHBondContact CA-O 3.47Å; V63-L126 HydrophobicContact CG2-CB 4.31Å; V63-L126 HydrophobicContact CG2-CD2 4.19Å
64V97.5Very high90.9Very high0 Ų050 Ų500%025%0.25CS..EExtended strand (participates in β ladder)trans-108.2133.6175179.60000108.3V86 I88 L119 V125 L126 L127 F128 L206V64-V86 VanDerWaalsContact CA-O 3.26Å; V64-V86 WeakPolarHBondContact CA-O 3.3Å; V64-V86 HydrophobicContact CG2-CB 4.15Å; V64-I88 HydrophobicContact CG1-CD1 3.42Å; V64-I88 VanDerWaalsContact CG1-CD1 3.42Å; V64-I88 HydrophobicContact CG1-CG1 3.58Å; V64-L119 HydrophobicContact CG2-CD1 4.07Å; V64-V125 HydrophobicContact CG2-CB 3.81Å; V64-V125 HydrophobicContact CG2-CG1 3.98Å; V64-V125 HydrophobicContact CG2-CG2 3.92Å; V64-L126 PolarHBondContact N-O 3.4Å; V64-L127 HydrophobicContact CB-CD1 4.35Å; V64-L127 HydrophobicContact CG1-CD1 4.06Å; V64-L127 CarbonylContact O-C 3.53Å; V64-L127 WeakPolarHBondContact O-CA 3.5Å; V64-F128 PolarHBondContact O-N 2.98Å; V64-L206 HydrophobicContact CG1-CD1 4.25Å; V64-L206 HydrophobicContact CG1-CD2 4.43Å; V64-L206 HydrophobicContact CG2-CD2 4.24Å
65A94.8Very high91.2Very high0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-130.5157.2172.800000112.9F71 F85 V86 I88 F128A65-F71 HydrophobicContact CB-CD1 4.18Å; A65-F71 WeakPolarHBondContact O-CE1 3.45Å; A65-F85 HydrophobicContact CB-CE2 3.64Å; A65-F85 HydrophobicContact CB-CZ 4.11Å; A65-V86 PolarHBondContact N-O 2.91Å; A65-I88 PolarHBondContact O-N 3.46Å; A65-F128 WeakPolarHBondContact CA-O 3.15Å; A65-F128 HydrophobicContact CB-CB 4.36Å; A65-F128 WeakPolarHBondContact CB-O 3.48Å
66L91.9Very high91.4Very high2 Ų241.1 Ų41.11%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-91.4142177.8-53.5-174.1000111.3G70 I88 L127 F128 D129 T198 A202L66-G70 WeakPolarHBondContact O-CA 3.44Å; L66-G70 PolarHBondContact O-N 3.32Å; L66-G70 VanDerWaalsContact O-N 3.14Å; L66-I88 HydrophobicContact CD2-CB 3.77Å; L66-I88 HydrophobicContact CD2-CD1 3.96Å; L66-I88 HydrophobicContact CD2-CG1 4.42Å; L66-I88 HydrophobicContact CD2-CG2 3.78Å; L66-L127 HydrophobicContact CD2-CD1 4.08Å; L66-L127 HydrophobicContact CG-CD1 4.3Å; L66-F128 PolarHBondContact N-O 2.87Å; L66-D129 HydrophobicContact CB-CB 4.29Å; L66-D129 HydrophobicContact CD1-CB 3.95Å; L66-D129 WeakPolarHBondContact CD1-OD2 3.49Å; L66-D129 HydrophobicContact CG-CB 4.17Å; L66-T198 HydrophobicContact CD1-CG2 3.84Å; L66-A202 HydrophobicContact CD1-CB 4.29Å; L66-A202 HydrophobicContact CD2-CB 3.53Å; L66-A202 HydrophobicContact CG-CB 4.5Å
67E85Confident91.6Very high48 Ų4836.1 Ų36.122%0.22421%0.205CC..THydrogen-bonded Turntrans-76.4154.917675.4168.4-154.300113F71 I88 R89 K90E67-F71 HydrophobicContact CB-CD2 4.37Å; E67-F71 HydrophobicContact CB-CE1 3.98Å; E67-F71 HydrophobicContact CB-CE2 3.81Å; E67-F71 HydrophobicContact CB-CZ 3.59Å; E67-I88 PolarHBondContact N-O 3.19Å; E67-I88 VanDerWaalsContact N-O 3.17Å; E67-R89 WeakPolarHBondContact OE2-CB 3.13Å; E67-R89 IonicContact OE2-CZ 2.85Å; E67-R89 IonicContact OE2-NE 3.03Å; E67-R89 PolarHBondContact OE2-NE 3Å; E67-R89 IonicContact OE2-NH2 3.76Å; E67-K90 WeakPolarHBondContact OE1-CB 3.05Å; E67-K90 VanDerWaalsContact OE1-CD 3.25Å; E67-K90 WeakPolarHBondContact OE1-CD 3.08Å; E67-K90 WeakPolarHBondContact OE1-CG 3.33Å; E67-K90 PolarHBondContact OE1-N 3.08Å
68A83.6Confident92.1Very high74 Ų7435.6 Ų35.661%0.61220%0.202SC*.THydrogen-bonded Turncis-93.9-26-13.800000111.8F71A68-F71 VanDerWaalsContact O-CB 3.31Å; A68-F71 WeakPolarHBondContact O-CB 3.47Å; A68-F71 PolarHBondContact O-N 3.04Å; A68-F71 VanDerWaalsContact O-N 3.13Å
69R85.4Confident92.6Very high101 Ų10138.4 Ų38.438%0.38120%0.199SC..G310 helixtrans-73.8-32.4-171.5-64.7-178.9-58.9163.414.4112.5F71 L72 D130R69-F71 PolarHBondContact O-N 3.33Å; R69-L72 VanDerWaalsContact O-CB 3.28Å; R69-L72 WeakPolarHBondContact O-CB 3.38Å; R69-L72 WeakPolarHBondContact O-CG 3.41Å; R69-L72 PolarHBondContact O-N 2.7Å; R69-D130 HydrophobicContact CB-CB 3.87Å; R69-D130 VanDerWaalsContact CB-OD2 3.3Å; R69-D130 WeakPolarHBondContact CB-OD2 3.47Å; R69-D130 WeakPolarHBondContact CD-OD2 3.31Å; R69-D130 VanDerWaalsContact CZ-CG 3.41Å; R69-D130 IonicContact CZ-OD1 2.66Å; R69-D130 IonicContact CZ-OD2 3.19Å; R69-D130 IonicContact NE-OD1 3.35Å; R69-D130 PolarHBondContact NE-OD1 3.31Å; R69-D130 IonicContact NE-OD2 3.96Å; R69-D130 PolarHBondContact NE-OD2 3.46Å; R69-D130 IonicContact NH1-OD2 2.83Å; R69-D130 PolarHBondContact NH1-OD2 3.49Å; R69-D130 IonicContact NH2-OD1 3.99Å; R69-D130 PolarHBondContact NH2-OD1 3.03Å; R69-D130 IonicContact NH2-OD2 2.85Å; R69-D130 PolarHBondContact NH2-OD2 3.31Å
70G87.8Confident92.8Very high0 Ų035.8 Ų35.80%019%0.185CC..G310 helixtrans-58.2-26.7169.600000113.1L66 L72 F73 G74L66-G70 WeakPolarHBondContact O-CA 3.44Å; L66-G70 PolarHBondContact O-N 3.32Å; L66-G70 VanDerWaalsContact O-N 3.14Å; G70-L72 PolarHBondContact O-N 3Å; G70-F73 PolarHBondContact O-N 3.1Å; G70-G74 PolarHBondContact O-N 3.48Å
71F91Very high92.9Very high54 Ų5436.2 Ų36.224%0.23719%0.187CC..G310 helixtrans-72.7-13.4177.5-651.7000113.6A65 E67 A68 R69 F73 P75 F85 P87 R89A65-F71 HydrophobicContact CB-CD1 4.18Å; A65-F71 WeakPolarHBondContact O-CE1 3.45Å; E67-F71 HydrophobicContact CB-CD2 4.37Å; E67-F71 HydrophobicContact CB-CE1 3.98Å; E67-F71 HydrophobicContact CB-CE2 3.81Å; E67-F71 HydrophobicContact CB-CZ 3.59Å; A68-F71 VanDerWaalsContact O-CB 3.31Å; A68-F71 WeakPolarHBondContact O-CB 3.47Å; A68-F71 PolarHBondContact O-N 3.04Å; A68-F71 VanDerWaalsContact O-N 3.13Å; R69-F71 PolarHBondContact O-N 3.33Å; F71-F73 PolarHBondContact O-N 3.4Å; F71-P75 WeakPolarHBondContact O-CD 3.27Å; F71-P75 WeakPolarHBondContact O-CG 3.37Å; F71-F85 AromaticContact CD1-CZ 3.87Å; F71-F85 HydrophobicContact CD1-CZ 3.87Å; F71-F85 HydrophobicContact CE1-CZ 4.04Å; F71-F85 HydrophobicContact CG-CZ 4.47Å; F71-P87 HydrophobicContact CE1-CB 3.84Å; F71-P87 HydrophobicContact CE2-CB 4.16Å; F71-P87 HydrophobicContact CZ-CB 3.39Å; F71-R89 HydrophobicContact CE2-CG 4.36Å; F71-R89 HydrophobicContact CZ-CG 3.87Å
72L88.1Confident92.9Very high60 Ų6037.3 Ų37.331%0.31421%0.208SC..G310 helixtrans-71.8-23.3175.3-60174.6000111.9L33 M36 R69 G70 L76L33-L72 HydrophobicContact CD2-CD1 3.56Å; M36-L72 HydrophobicContact CE-CB 3.98Å; M36-L72 HydrophobicContact CE-CD2 4.31Å; M36-L72 HydrophobicContact SD-CB 3.78Å; M36-L72 HydrophobicContact SD-CD1 3.9Å; M36-L72 HydrophobicContact SD-CD2 4.27Å; M36-L72 HydrophobicContact SD-CG 4.19Å; R69-L72 VanDerWaalsContact O-CB 3.28Å; R69-L72 WeakPolarHBondContact O-CB 3.38Å; R69-L72 WeakPolarHBondContact O-CG 3.41Å; R69-L72 PolarHBondContact O-N 2.7Å; G70-L72 PolarHBondContact O-N 3Å; L72-L76 WeakPolarHBondContact O-CD1 3.19Å
73F89.8Confident92.9Very high4 Ų439.1 Ų39.12%0.01822%0.217CC..THydrogen-bonded Turntrans-121-39.2-175.9-54.7-89.6000112.5M36 M42 L45 G70 F71 L76 I77 F128 D130 L219M36-F73 HydrophobicContact CG-CZ 4.35Å; M36-F73 HydrophobicContact SD-CZ 4.46Å; M42-F73 HydrophobicContact CE-CD1 3.91Å; M42-F73 HydrophobicContact CE-CE1 3.72Å; M42-F73 HydrophobicContact SD-CE1 4.04Å; L45-F73 HydrophobicContact CD2-CD1 4.11Å; L45-F73 HydrophobicContact CD2-CE1 3.73Å; G70-F73 PolarHBondContact O-N 3.1Å; F71-F73 PolarHBondContact O-N 3.4Å; F73-L76 WeakPolarHBondContact O-CA 3.33Å; F73-L76 WeakPolarHBondContact O-CB 3.41Å; F73-L76 PolarHBondContact O-N 3.15Å; F73-I77 HydrophobicContact CB-CD1 4.14Å; F73-I77 WeakPolarHBondContact O-CG1 3.4Å; F73-I77 PolarHBondContact O-N 3.03Å; F73-F128 HydrophobicContact CB-CD1 4.06Å; F73-F128 HydrophobicContact CB-CE1 3.38Å; F73-F128 HydrophobicContact CB-CE2 4.38Å; F73-F128 HydrophobicContact CB-CZ 3.55Å; F73-F128 AromaticContact CD2-CE1 3.74Å; F73-F128 HydrophobicContact CD2-CE1 3.74Å; F73-F128 HydrophobicContact CD2-CZ 4.02Å; F73-F128 AromaticContact CG-CE1 3.81Å; F73-F128 HydrophobicContact CG-CE1 3.81Å; F73-F128 AromaticContact CG-CZ 3.81Å; F73-F128 HydrophobicContact CG-CZ 3.81Å; F73-D130 HydrophobicContact CE2-CB 4.5Å; F73-L219 HydrophobicContact CE1-CD2 3.96Å; F73-L219 HydrophobicContact CE2-CD2 4.04Å; F73-L219 HydrophobicContact CZ-CD2 3.54Å
74G91.7Very high92.9Very high0 Ų042.9 Ų42.90%024%0.242CC..Hα-helixtrans-49.5-53.4-175.900000114.2G70 L76 I77 A78G70-G74 PolarHBondContact O-N 3.48Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 3.13Å; G74-I77 PolarHBondContact O-N 2.63Å; G74-A78 WeakPolarHBondContact O-CB 3.44Å; G74-A78 PolarHBondContact O-N 3Å
75P95.7Very high92.9Very high48 Ų4845.9 Ų45.931%0.31226%0.255SS..Hα-helixtrans-61.1-36.2175.8-24.634.8000113.8F71 A78 L79 F85F71-P75 WeakPolarHBondContact O-CD 3.27Å; F71-P75 WeakPolarHBondContact O-CG 3.37Å; P75-A78 PolarHBondContact O-N 2.92Å; P75-L79 WeakPolarHBondContact O-CB 3.37Å; P75-L79 PolarHBondContact O-N 3.08Å; P75-F85 HydrophobicContact CB-CG 4.44Å; P75-F85 HydrophobicContact CG-CD1 4.06Å; P75-F85 HydrophobicContact CG-CD2 4.13Å; P75-F85 HydrophobicContact CG-CE1 3.91Å; P75-F85 HydrophobicContact CG-CE2 3.99Å; P75-F85 HydrophobicContact CG-CG 4.17Å; P75-F85 HydrophobicContact CG-CZ 3.88Å
76L95.6Very high93Very high65 Ų6546.1 Ų46.134%0.3426%0.256SS..Hα-helixtrans-67.9-42.6177.6-60.6178.2000110.8M42 L46 L72 F73 G74 L79 R80M42-L76 HydrophobicContact CE-CD1 4.2Å; L46-L76 HydrophobicContact CD1-CB 4.03Å; L46-L76 HydrophobicContact CD1-CD1 4.2Å; L46-L76 HydrophobicContact CD2-CB 3.74Å; L72-L76 WeakPolarHBondContact O-CD1 3.19Å; F73-L76 WeakPolarHBondContact O-CA 3.33Å; F73-L76 WeakPolarHBondContact O-CB 3.41Å; F73-L76 PolarHBondContact O-N 3.15Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 3.13Å; L76-L79 PolarHBondContact O-N 3.17Å; L76-R80 WeakPolarHBondContact O-CB 3.29Å; L76-R80 WeakPolarHBondContact O-CG 3.06Å; L76-R80 PolarHBondContact O-N 3.14Å
77I95Very high93.2Very high1 Ų147.5 Ų47.51%0.00527%0.266CS..Hα-helixtrans-62.7-47.8174.9-61.2161.1000109.7L46 L49 V63 F73 G74 L79 R80 M81 L126 F128L46-I77 HydrophobicContact CD2-CG1 3.94Å; L49-I77 HydrophobicContact CD1-CD1 3.85Å; L49-I77 HydrophobicContact CD1-CG1 4.21Å; V63-I77 HydrophobicContact CG2-CG2 4.24Å; F73-I77 HydrophobicContact CB-CD1 4.14Å; F73-I77 WeakPolarHBondContact O-CG1 3.4Å; F73-I77 PolarHBondContact O-N 3.03Å; G74-I77 PolarHBondContact O-N 2.63Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.46Å; I77-R80 PolarHBondContact O-N 3.46Å; I77-M81 HydrophobicContact CG2-CG 4.31Å; I77-M81 HydrophobicContact CG2-SD 3.83Å; I77-M81 WeakPolarHBondContact O-CB 3.4Å; I77-M81 VanDerWaalsContact O-CG 3.3Å; I77-M81 WeakPolarHBondContact O-CG 3.34Å; I77-M81 PolarHBondContact O-N 3.22Å; I77-L126 HydrophobicContact CG2-CD2 4.02Å; I77-F128 HydrophobicContact CD1-CB 4.5Å; I77-F128 HydrophobicContact CD1-CD1 4.41Å; I77-F128 HydrophobicContact CD1-CD2 3.41Å; I77-F128 VanDerWaalsContact CD1-CD2 3.41Å; I77-F128 HydrophobicContact CD1-CE2 3.64Å; I77-F128 HydrophobicContact CD1-CG 3.83Å; I77-F128 HydrophobicContact CD1-CZ 4.26Å
78A97Very high93.7Very high2 Ų245.2 Ų45.22%0.01726%0.255CS..Hα-helixtrans-54.5-49.4177.600000111.6V63 G74 P75 R80 M81 G82 L83 F85V63-A78 HydrophobicContact CB-CB 3.87Å; V63-A78 HydrophobicContact CG2-CB 3.99Å; G74-A78 WeakPolarHBondContact O-CB 3.44Å; G74-A78 PolarHBondContact O-N 3Å; P75-A78 PolarHBondContact O-N 2.92Å; A78-R80 PolarHBondContact O-N 3.38Å; A78-M81 CarbonylContact O-C 3.47Å; A78-M81 PolarHBondContact O-N 3.14Å; A78-G82 PolarHBondContact O-N 2.89Å; A78-L83 CarbonylContact C-O 3.57Å; A78-L83 PolarHBondContact O-N 3.29Å; A78-F85 HydrophobicContact CB-CB 3.79Å; A78-F85 HydrophobicContact CB-CD2 4.45Å
79L97.6Very high94.1Very high135 Ų13545.2 Ų45.271%0.70724%0.239SC*.Hα-helixtrans-59.2-47177.5-179.464.5000111.9P75 L76 I77 M81 G82P75-L79 WeakPolarHBondContact O-CB 3.37Å; P75-L79 PolarHBondContact O-N 3.08Å; L76-L79 PolarHBondContact O-N 3.17Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.46Å; L79-M81 VanDerWaalsContact C-N 3.27Å; L79-M81 PolarHBondContact O-N 2.93Å; L79-G82 PolarHBondContact O-N 3.38Å; L79-G82 VanDerWaalsContact O-N 3.14Å
80R95.7Very high94.3Very high90 Ų9045.1 Ų45.134%0.3424%0.242SC..Hα-helixtrans-68.1-26.8-179.7-66.2-68.6-63.7-91.53.1113N43 D47 V50 L76 I77 A78N43-R80 PolarHBondContact OD1-NH1 2.75Å; D47-R80 IonicContact OD1-CZ 2.86Å; D47-R80 IonicContact OD1-NH1 2.83Å; D47-R80 IonicContact OD1-NH2 3.21Å; D47-R80 PolarHBondContact OD1-NH2 3.26Å; V50-R80 HydrophobicContact CG2-CB 3.62Å; L76-R80 WeakPolarHBondContact O-CB 3.29Å; L76-R80 WeakPolarHBondContact O-CG 3.06Å; L76-R80 PolarHBondContact O-N 3.14Å; I77-R80 PolarHBondContact O-N 3.46Å; A78-R80 PolarHBondContact O-N 3.38Å
81M95.8Very high94.5Very high30 Ų3048.1 Ų48.115%0.14826%0.261CS..Hα-helixtrans-85.5-13174.6-64.9-172.47300113.2V50 I60 V63 I77 A78 L79 L83 L126V50-M81 HydrophobicContact CB-CG 4.47Å; V50-M81 HydrophobicContact CG1-CG 4.06Å; V50-M81 HydrophobicContact CG2-CG 3.96Å; I60-M81 HydrophobicContact CD1-CE 3.83Å; V63-M81 HydrophobicContact CG2-SD 4.34Å; I77-M81 HydrophobicContact CG2-CG 4.31Å; I77-M81 HydrophobicContact CG2-SD 3.83Å; I77-M81 WeakPolarHBondContact O-CB 3.4Å; I77-M81 VanDerWaalsContact O-CG 3.3Å; I77-M81 WeakPolarHBondContact O-CG 3.34Å; I77-M81 PolarHBondContact O-N 3.22Å; A78-M81 CarbonylContact O-C 3.47Å; A78-M81 PolarHBondContact O-N 3.14Å; L79-M81 VanDerWaalsContact C-N 3.27Å; L79-M81 PolarHBondContact O-N 2.93Å; M81-L83 VanDerWaalsContact C-N 3.34Å; M81-L83 HydrophobicContact CB-CB 4.36Å; M81-L83 HydrophobicContact CB-CD1 3.82Å; M81-L83 HydrophobicContact CB-CG 3.86Å; M81-L83 HydrophobicContact CE-CD1 3.99Å; M81-L83 HydrophobicContact SD-CD1 4.32Å; M81-L126 HydrophobicContact SD-CD2 3.99Å
82G96.8Very high94.6Very high67 Ų6748.8 Ų48.869%0.69128%0.283SS*.THydrogen-bonded Turntrans68.634.3-172.800000112.5A78 L79A78-G82 PolarHBondContact O-N 2.89Å; L79-G82 PolarHBondContact O-N 3.38Å; L79-G82 VanDerWaalsContact O-N 3.14Å
83L97.1Very high94.9Very high40 Ų4051.7 Ų51.721%0.20929%0.293CS..  trans-116.9152.6-175.9-64.8177.6000111.5I60 V63 A78 M81I60-L83 HydrophobicContact CB-CD1 3.95Å; I60-L83 HydrophobicContact CG2-CD1 3.73Å; I60-L83 WeakPolarHBondContact O-CD2 3.44Å; V63-L83 HydrophobicContact CG2-CD1 4.39Å; A78-L83 CarbonylContact C-O 3.57Å; A78-L83 PolarHBondContact O-N 3.29Å; M81-L83 VanDerWaalsContact C-N 3.34Å; M81-L83 HydrophobicContact CB-CB 4.36Å; M81-L83 HydrophobicContact CB-CD1 3.82Å; M81-L83 HydrophobicContact CB-CG 3.86Å; M81-L83 HydrophobicContact CE-CD1 3.99Å; M81-L83 HydrophobicContact SD-CD1 4.32Å
84P97.2Very high95Very high79 Ų7952.5 Ų52.551%0.51330%0.298SS..  trans-54.8146.2165.4-23.332.7000112.4N61 A62 V63N61-P84 WeakPolarHBondContact O-CD 3.29Å; A62-P84 WeakPolarHBondContact CA-O 3.26Å; A62-P84 HydrophobicContact CB-CB 4.23Å; V63-P84 PolarHBondContact N-O 2.88Å
85F97.6Very high95.2Very high63 Ų6356.9 Ų56.928%0.27633%0.326SS..EExtended strand (participates in β ladder)trans-105.1133.4169.3174.1-105.8000109.9V63 A65 F71 P75 A78 P87V63-F85 CarbonylContact O-C 3.58Å; V63-F85 WeakPolarHBondContact O-CA 3.47Å; V63-F85 WeakPolarHBondContact O-CD2 3.41Å; A65-F85 HydrophobicContact CB-CE2 3.64Å; A65-F85 HydrophobicContact CB-CZ 4.11Å; F71-F85 AromaticContact CD1-CZ 3.87Å; F71-F85 HydrophobicContact CD1-CZ 3.87Å; F71-F85 HydrophobicContact CE1-CZ 4.04Å; F71-F85 HydrophobicContact CG-CZ 4.47Å; P75-F85 HydrophobicContact CB-CG 4.44Å; P75-F85 HydrophobicContact CG-CD1 4.06Å; P75-F85 HydrophobicContact CG-CD2 4.13Å; P75-F85 HydrophobicContact CG-CE1 3.91Å; P75-F85 HydrophobicContact CG-CE2 3.99Å; P75-F85 HydrophobicContact CG-CG 4.17Å; P75-F85 HydrophobicContact CG-CZ 3.88Å; A78-F85 HydrophobicContact CB-CB 3.79Å; A78-F85 HydrophobicContact CB-CD2 4.45Å; F85-P87 HydrophobicContact CE1-CB 3.93Å; F85-P87 HydrophobicContact CE1-CG 4.4Å; F85-P87 HydrophobicContact CZ-CB 4.21Å
86V97.1Very high95.1Very high5 Ų557.9 Ų57.93%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-125.5118.5176.7177.80000109.9A62 V63 V64 A65 V114 A118 L119A62-V86 HydrophobicContact CB-CG2 4.28Å; V63-V86 PolarHBondContact O-N 3.23Å; V64-V86 VanDerWaalsContact CA-O 3.26Å; V64-V86 WeakPolarHBondContact CA-O 3.3Å; V64-V86 HydrophobicContact CG2-CB 4.15Å; A65-V86 PolarHBondContact N-O 2.91Å; V86-V114 HydrophobicContact CG1-CG2 3.83Å; V86-A118 HydrophobicContact CG1-CB 3.69Å; V86-A118 HydrophobicContact CG2-CB 4.02Å; V86-L119 HydrophobicContact CB-CD2 4.45Å; V86-L119 HydrophobicContact CB-CG 4.45Å; V86-L119 HydrophobicContact CG1-CD1 4.12Å; V86-L119 HydrophobicContact CG1-CG 4.22Å; V86-L119 HydrophobicContact CG2-CD2 3.77Å; V86-L119 HydrophobicContact CG2-CG 4.01Å
87P96.3Very high95.1Very high32 Ų3262.1 Ų62.121%0.20836%0.361CS..EExtended strand (participates in β ladder)trans-81138.6178.930.7-33000112F71 F85 R89 L94F71-P87 HydrophobicContact CE1-CB 3.84Å; F71-P87 HydrophobicContact CE2-CB 4.16Å; F71-P87 HydrophobicContact CZ-CB 3.39Å; F85-P87 HydrophobicContact CE1-CB 3.93Å; F85-P87 HydrophobicContact CE1-CG 4.4Å; F85-P87 HydrophobicContact CZ-CB 4.21Å; P87-R89 HydrophobicContact CB-CG 4.08Å; P87-L94 HydrophobicContact CG-CD2 4.16Å
88I95.2Very high95.2Very high0 Ų064.5 Ų64.50%037%0.373CS..EExtended strand (participates in β ladder)trans-101.6129.3158.7-69.5175.5000108.3V64 A65 L66 E67 L112 E113 V114 A202 L205 L206V64-I88 HydrophobicContact CG1-CD1 3.42Å; V64-I88 VanDerWaalsContact CG1-CD1 3.42Å; V64-I88 HydrophobicContact CG1-CG1 3.58Å; A65-I88 PolarHBondContact O-N 3.46Å; L66-I88 HydrophobicContact CD2-CB 3.77Å; L66-I88 HydrophobicContact CD2-CD1 3.96Å; L66-I88 HydrophobicContact CD2-CG1 4.42Å; L66-I88 HydrophobicContact CD2-CG2 3.78Å; E67-I88 PolarHBondContact N-O 3.19Å; E67-I88 VanDerWaalsContact N-O 3.17Å; I88-L112 HydrophobicContact CG2-CB 3.73Å; I88-L112 HydrophobicContact CG2-CD1 4.1Å; I88-L112 HydrophobicContact CG2-CD2 4.11Å; I88-L112 HydrophobicContact CG2-CG 4.18Å; I88-E113 WeakPolarHBondContact CA-O 3.46Å; I88-V114 HydrophobicContact CG1-CB 4.2Å; I88-V114 HydrophobicContact CG1-CG2 4.26Å; I88-A202 HydrophobicContact CD1-CB 3.84Å; I88-L205 HydrophobicContact CD1-CD2 4.47Å; I88-L205 HydrophobicContact CG2-CD2 4.26Å; I88-L206 HydrophobicContact CD1-CD1 4.16Å; I88-L206 HydrophobicContact CD1-CD2 4.29Å; I88-L206 HydrophobicContact CD1-CG 4.14Å
89R93Very high95.1Very high74 Ų7465.1 Ų65.128%0.27938%0.378SS..BIsolated β-bridgetrans-130.1166.6-170-59.4-163.772.2177.24.6112.8E67 F71 P87 K93 L94 L112 E113E67-R89 WeakPolarHBondContact OE2-CB 3.13Å; E67-R89 IonicContact OE2-CZ 2.85Å; E67-R89 IonicContact OE2-NE 3.03Å; E67-R89 PolarHBondContact OE2-NE 3Å; E67-R89 IonicContact OE2-NH2 3.76Å; F71-R89 HydrophobicContact CE2-CG 4.36Å; F71-R89 HydrophobicContact CZ-CG 3.87Å; P87-R89 HydrophobicContact CB-CG 4.08Å; R89-K93 HydrophobicContact CB-CB 4.04Å; R89-K93 PolarHBondContact NH1-O 3.4Å; R89-K93 VanDerWaalsContact NH1-O 3.13Å; R89-L94 HydrophobicContact CB-CD1 4.08Å; R89-L94 HydrophobicContact CB-CG 4.05Å; R89-L94 VanDerWaalsContact CD-CD2 3.48Å; R89-L94 HydrophobicContact CG-CD1 4.13Å; R89-L94 HydrophobicContact CG-CD2 4.03Å; R89-L94 HydrophobicContact CG-CG 4.01Å; R89-L112 CarbonylContact O-C 3.44Å; R89-L112 WeakPolarHBondContact O-CA 3.33Å; R89-E113 PolarHBondContact N-O 2.9Å; R89-E113 PolarHBondContact O-N 2.84Å
90K90Very high94.9Very high99 Ų9962.3 Ų62.343%0.4337%0.37SS..  trans-72.3166.8165.7-73.1173.1-176177.40111.6E67 K93E67-K90 WeakPolarHBondContact OE1-CB 3.05Å; E67-K90 VanDerWaalsContact OE1-CD 3.25Å; E67-K90 WeakPolarHBondContact OE1-CD 3.08Å; E67-K90 WeakPolarHBondContact OE1-CG 3.33Å; E67-K90 PolarHBondContact OE1-N 3.08Å; K90-K93 WeakPolarHBondContact O-CB 3.48Å; K90-K93 WeakPolarHBondContact O-CG 3.36Å
91P91.4Very high94.5Very high62 Ų6258.8 Ų58.840%0.40336%0.36SS..THydrogen-bonded Turntrans-58.7142.3-174.1-27.738000115.5K93 T111 E113P91-K93 VanDerWaalsContact C-N 3.29Å; P91-K93 PolarHBondContact O-N 2.99Å; P91-T111 WeakPolarHBondContact CD-O 3.45Å; P91-T111 HydrophobicContact CG-CG2 4.01Å; P91-E113 WeakPolarHBondContact CA-OE1 3.41Å; P91-E113 WeakPolarHBondContact CA-OE2 3.17Å
92G93.3Very high94Very high69 Ų6959.6 Ų59.671%0.71137%0.371SS*.THydrogen-bonded Turntrans7516.1173.900000114.3E113G92-E113 PolarHBondContact N-OE2 2.68Å; G92-E113 VanDerWaalsContact N-OE2 3.07Å
93K93.9Very high93.1Very high120 Ų12057 Ų5752%0.52234%0.341SS..SBendtrans-106-7.5178.3-60.2-58.5-176.4-172.60114.3R89 K90 P91R89-K93 HydrophobicContact CB-CB 4.04Å; R89-K93 PolarHBondContact NH1-O 3.4Å; R89-K93 VanDerWaalsContact NH1-O 3.13Å; K90-K93 WeakPolarHBondContact O-CB 3.48Å; K90-K93 WeakPolarHBondContact O-CG 3.36Å; P91-K93 VanDerWaalsContact C-N 3.29Å; P91-K93 PolarHBondContact O-N 2.99Å
94L92.1Very high91.9Very high22 Ų2257.5 Ų57.512%0.11534%0.344CS..SBendtrans-120.2140.2179.4-66.8173.3000110.4P87 R89 I98 E113 Q115P87-L94 HydrophobicContact CG-CD2 4.16Å; R89-L94 HydrophobicContact CB-CD1 4.08Å; R89-L94 HydrophobicContact CB-CG 4.05Å; R89-L94 VanDerWaalsContact CD-CD2 3.48Å; R89-L94 HydrophobicContact CG-CD1 4.13Å; R89-L94 HydrophobicContact CG-CD2 4.03Å; R89-L94 HydrophobicContact CG-CG 4.01Å; L94-I98 HydrophobicContact CB-CD1 3.47Å; L94-I98 VanDerWaalsContact CB-CD1 3.47Å; L94-I98 HydrophobicContact CB-CG1 4.49Å; L94-I98 HydrophobicContact CD1-CD1 4.46Å; L94-E113 HydrophobicContact CD1-CB 4.34Å; L94-E113 WeakPolarHBondContact CD1-O 3.25Å; L94-Q115 HydrophobicContact CB-CG 4.05Å; L94-Q115 HydrophobicContact CD1-CG 4.31Å; L94-Q115 HydrophobicContact CD2-CG 4.41Å; L94-Q115 HydrophobicContact CG-CG 4.49Å
95P95.1Very high90.4Very high92 Ų9257.5 Ų57.560%0.59734%0.335SS*.  trans-88.5172.1175.337-35.4000112I98 Q115P95-I98 WeakPolarHBondContact O-CD1 3.03Å; P95-Q115 WeakPolarHBondContact O-CG 3.37Å; P95-Q115 PolarHBondContact O-NE2 3.19Å
96G94.8Very high88.5Confident69 Ų6957.9 Ų57.971%0.71134%0.338SS*.SBendtrans76.9-152.6171.100000113.3I98G96-I98 PolarHBondContact O-N 2.95Å
97K95.2Very high86.4Confident154 Ų15465.8 Ų65.867%0.6737%0.368SS*.SBendtrans-81.4118.7-178.4-171.3-178.9179.8-176.80109.8Q115 V116K97-Q115 WeakPolarHBondContact O-CA 3.2Å; K97-V116 HydrophobicContact CD-CB 4.25Å; K97-V116 HydrophobicContact CD-CG1 4.42Å; K97-V116 HydrophobicContact CD-CG2 4.32Å; K97-V116 HydrophobicContact CG-CB 4.23Å; K97-V116 HydrophobicContact CG-CG2 4Å; K97-V116 PolarHBondContact O-N 2.99Å
98I96.7Very high85Confident51 Ų5166 Ų6626%0.26238%0.376SS..EExtended strand (participates in β ladder)trans-111137.5-174.7-56.4-54.2000110.8L94 P95 G96 E113 V114 Q115L94-I98 HydrophobicContact CB-CD1 3.47Å; L94-I98 VanDerWaalsContact CB-CD1 3.47Å; L94-I98 HydrophobicContact CB-CG1 4.49Å; L94-I98 HydrophobicContact CD1-CD1 4.46Å; P95-I98 WeakPolarHBondContact O-CD1 3.03Å; G96-I98 PolarHBondContact O-N 2.95Å; I98-E113 HydrophobicContact CG2-CB 3.54Å; I98-E113 HydrophobicContact CG2-CG 3.55Å; I98-V114 WeakPolarHBondContact CA-O 3.36Å; I98-Q115 HydrophobicContact CD1-CB 4.45Å; I98-Q115 HydrophobicContact CD1-CG 3.69Å
99A94.5Very high84.2Confident14 Ų1472.3 Ų72.312%0.11641%0.406CS..EExtended strand (participates in β ladder)trans-99.2142.8159.900000109E113 V114 V116 L205 I209A99-E113 WeakPolarHBondContact O-CA 3.44Å; A99-V114 HydrophobicContact CB-CG1 4.17Å; A99-V114 PolarHBondContact N-O 2.84Å; A99-V114 PolarHBondContact O-N 2.87Å; A99-V116 HydrophobicContact CB-CG2 3.88Å; A99-L205 HydrophobicContact CB-CD1 3.93Å; A99-I209 HydrophobicContact CB-CG2 3.38Å
100S93.7Very high83.8Confident76 Ų7669.9 Ų69.953%0.53140%0.399SS..EExtended strand (participates in β ladder)trans-129.5150.7-179.162.50000112.4L112S100-L112 CarbonylContact C-O 3.6Å; S100-L112 WeakPolarHBondContact CA-O 3.41Å
101A88.4Confident83.7Confident16 Ų1666.7 Ų66.713%0.13239%0.387CS..EExtended strand (participates in β ladder)trans-137.1115.8171.800000109.4T111 L112 L205A101-T111 WeakPolarHBondContact O-CA 3.15Å; A101-L112 PolarHBondContact N-O 3.36Å; A101-L112 PolarHBondContact O-N 3.35Å; A101-L205 HydrophobicContact CB-CB 3.69Å; A101-L205 HydrophobicContact CB-CD1 4.02Å; A101-L205 HydrophobicContact CB-CG 4.31Å
102A84.8Confident83.7Confident47 Ų4764.1 Ų64.139%0.38837%0.37SS..EExtended strand (participates in β ladder)trans-78.4149.3172.600000111E109 D110A102-E109 HydrophobicContact CB-CG 4.11Å; A102-E109 VanDerWaalsContact CB-OE1 3.23Å; A102-E109 WeakPolarHBondContact CB-OE1 3.35Å; A102-D110 CarbonylContact C-O 3.58Å; A102-D110 VanDerWaalsContact CA-O 3.29Å; A102-D110 WeakPolarHBondContact CA-O 3.32Å
103Y78.6Confident83.9Confident12 Ų1262.4 Ų62.45%0.04734%0.344CS..EExtended strand (participates in β ladder)trans-152150175.969-75.4000111.2K105 E109 D110 L112 T198 A201Y103-K105 HydrophobicContact CD2-CG 4.18Å; Y103-K105 HydrophobicContact CE2-CD 4.15Å; Y103-K105 HydrophobicContact CE2-CG 3.65Å; Y103-E109 WeakPolarHBondContact O-CA 3.21Å; Y103-D110 HydrophobicContact CD1-CB 4.25Å; Y103-D110 WeakPolarHBondContact CD1-O 3.49Å; Y103-D110 HydrophobicContact CE1-CB 3.58Å; Y103-D110 HydrophobicContact CE2-CB 4.37Å; Y103-D110 PolarHBondContact N-O 2.64Å; Y103-D110 PolarHBondContact O-N 3.18Å; Y103-L112 HydrophobicContact CD1-CG 4.28Å; Y103-L112 HydrophobicContact CE1-CD1 4.23Å; Y103-L112 HydrophobicContact CE1-CD2 4.09Å; Y103-L112 HydrophobicContact CE1-CG 3.7Å; Y103-T198 WeakPolarHBondContact OH-CG2 3.33Å; Y103-T198 PolarHBondContact OH-OG1 3.32Å; Y103-A201 HydrophobicContact CD1-CB 3.53Å; Y103-A201 HydrophobicContact CD2-CB 4.1Å; Y103-A201 HydrophobicContact CE1-CB 4.21Å; Y103-A201 HydrophobicContact CG-CB 3.48Å; Y103-A201 VanDerWaalsContact CG-CB 3.48Å
104L70.1Confident83.9Confident52 Ų5256.7 Ų56.727%0.27232%0.319SS..EExtended strand (participates in β ladder)trans-83.4130.1179.5-63.1174.9000110.6E109 E194L104-E109 HydrophobicContact CD2-CB 4.36Å; L104-E194 HydrophobicContact CD1-CB 3.78Å
105K66.6Low84.1Confident79 Ų7958 Ų5834%0.34332%0.324SS..EExtended strand (participates in β ladder)trans-104.7176.9167.1-60.8-174.2-58.2-162.30110Y103 Y107 G108 D110Y103-K105 HydrophobicContact CD2-CG 4.18Å; Y103-K105 HydrophobicContact CE2-CD 4.15Å; Y103-K105 HydrophobicContact CE2-CG 3.65Å; K105-Y107 VanDerWaalsContact C-N 3.26Å; K105-Y107 PolarHBondContact O-N 2.73Å; K105-G108 CarbonylContact C-O 3.57Å; K105-G108 WeakPolarHBondContact CA-O 3.44Å; K105-G108 WeakPolarHBondContact CB-O 3.4Å; K105-G108 PolarHBondContact N-O 3.09Å; K105-D110 HydrophobicContact CD-CB 3.72Å; K105-D110 VanDerWaalsContact CE-CB 3.49Å; K105-D110 HydrophobicContact CG-CB 4.14Å; K105-D110 IonicContact NZ-OD2 3.2Å; K105-D110 PolarHBondContact NZ-OD2 3.3Å
106E56.8Low83.9Confident70 Ų7055.7 Ų55.733%0.32731%0.308SS..THydrogen-bonded Turntrans-57.6-32.2-179.9-170.7-173.4171.600114.5I137E106-I137 HydrophobicContact CB-CG1 4.2Å; E106-I137 HydrophobicContact CG-CD1 4.46Å; E106-I137 HydrophobicContact CG-CG1 3.86Å; E106-I137 WeakPolarHBondContact O-CD1 3.31Å
107Y54.9Low83.7Confident171 Ų17158.2 Ų58.267%0.67131%0.305SS*.THydrogen-bonded Turntrans-12824.5-175.7-59.4-76.7000113.2K105K105-Y107 VanDerWaalsContact C-N 3.26Å; K105-Y107 PolarHBondContact O-N 2.73Å
108G66.5Low83.6Confident36 Ų3652.9 Ų52.937%0.37129%0.29SS..EExtended strand (participates in β ladder)trans151.6-178.8176.800000113.5K105K105-G108 CarbonylContact C-O 3.57Å; K105-G108 WeakPolarHBondContact CA-O 3.44Å; K105-G108 WeakPolarHBondContact CB-O 3.4Å; K105-G108 PolarHBondContact N-O 3.09Å
109E78.6Confident83.4Confident133 Ų13351.2 Ų51.262%0.62128%0.282SS*.EExtended strand (participates in β ladder)trans-81147.1172.1-171.3173.6-141.700110.3A102 Y103 L104A102-E109 HydrophobicContact CB-CG 4.11Å; A102-E109 VanDerWaalsContact CB-OE1 3.23Å; A102-E109 WeakPolarHBondContact CB-OE1 3.35Å; Y103-E109 WeakPolarHBondContact O-CA 3.21Å; L104-E109 HydrophobicContact CD2-CB 4.36Å
110D83.5Confident83.3Confident24 Ų2458 Ų5813%0.12831%0.311CS..EExtended strand (participates in β ladder)trans-128.3169.8162.5-149.3-13.8000109.1A102 Y103 K105A102-D110 CarbonylContact C-O 3.58Å; A102-D110 VanDerWaalsContact CA-O 3.29Å; A102-D110 WeakPolarHBondContact CA-O 3.32Å; Y103-D110 HydrophobicContact CD1-CB 4.25Å; Y103-D110 WeakPolarHBondContact CD1-O 3.49Å; Y103-D110 HydrophobicContact CE1-CB 3.58Å; Y103-D110 HydrophobicContact CE2-CB 4.37Å; Y103-D110 PolarHBondContact N-O 2.64Å; Y103-D110 PolarHBondContact O-N 3.18Å; K105-D110 HydrophobicContact CD-CB 3.72Å; K105-D110 VanDerWaalsContact CE-CB 3.49Å; K105-D110 HydrophobicContact CG-CB 4.14Å; K105-D110 IonicContact NZ-OD2 3.2Å; K105-D110 PolarHBondContact NZ-OD2 3.3Å
111T88.1Confident83.2Confident32 Ų3262.4 Ų62.420%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-135.4139.8178.7-62.80000109.7P91 A101P91-T111 WeakPolarHBondContact CD-O 3.45Å; P91-T111 HydrophobicContact CG-CG2 4.01Å; A101-T111 WeakPolarHBondContact O-CA 3.15Å
112L92.4Very high83.4Confident8 Ų863.8 Ų63.84%0.04234%0.339CS..EExtended strand (participates in β ladder)trans-106.2144.4169.5-62.1179.6000109.5I88 R89 S100 A101 Y103 T198 A201 A202 L205I88-L112 HydrophobicContact CG2-CB 3.73Å; I88-L112 HydrophobicContact CG2-CD1 4.1Å; I88-L112 HydrophobicContact CG2-CD2 4.11Å; I88-L112 HydrophobicContact CG2-CG 4.18Å; R89-L112 CarbonylContact O-C 3.44Å; R89-L112 WeakPolarHBondContact O-CA 3.33Å; S100-L112 CarbonylContact C-O 3.6Å; S100-L112 WeakPolarHBondContact CA-O 3.41Å; A101-L112 PolarHBondContact N-O 3.36Å; A101-L112 PolarHBondContact O-N 3.35Å; Y103-L112 HydrophobicContact CD1-CG 4.28Å; Y103-L112 HydrophobicContact CE1-CD1 4.23Å; Y103-L112 HydrophobicContact CE1-CD2 4.09Å; Y103-L112 HydrophobicContact CE1-CG 3.7Å; L112-T198 HydrophobicContact CD1-CG2 3.87Å; L112-T198 WeakPolarHBondContact CD1-O 3.3Å; L112-T198 HydrophobicContact CD2-CG2 4Å; L112-T198 HydrophobicContact CG-CG2 4.45Å; L112-A201 HydrophobicContact CD1-CB 3.88Å; L112-A202 HydrophobicContact CD1-CB 3.93Å; L112-L205 HydrophobicContact CB-CD2 3.88Å
113E95.9Very high83.8Confident32 Ų3261.9 Ų61.915%0.1532%0.323CS..EExtended strand (participates in β ladder)trans-127.8143.1-179.4-74.9-172.4173.800111.1I88 R89 P91 G92 L94 I98 A99I88-E113 WeakPolarHBondContact CA-O 3.46Å; R89-E113 PolarHBondContact N-O 2.9Å; R89-E113 PolarHBondContact O-N 2.84Å; P91-E113 WeakPolarHBondContact CA-OE1 3.41Å; P91-E113 WeakPolarHBondContact CA-OE2 3.17Å; G92-E113 PolarHBondContact N-OE2 2.68Å; G92-E113 VanDerWaalsContact N-OE2 3.07Å; L94-E113 HydrophobicContact CD1-CB 4.34Å; L94-E113 WeakPolarHBondContact CD1-O 3.25Å; I98-E113 HydrophobicContact CG2-CB 3.54Å; I98-E113 HydrophobicContact CG2-CG 3.55Å; A99-E113 WeakPolarHBondContact O-CA 3.44Å
114V95.6Very high84.7Confident0 Ų064.8 Ų64.80%034%0.336CS..EExtended strand (participates in β ladder)trans-140.8146.3172.169.40000109.9V86 I88 I98 A99 L205 I209V86-V114 HydrophobicContact CG1-CG2 3.83Å; I88-V114 HydrophobicContact CG1-CB 4.2Å; I88-V114 HydrophobicContact CG1-CG2 4.26Å; I98-V114 WeakPolarHBondContact CA-O 3.36Å; A99-V114 HydrophobicContact CB-CG1 4.17Å; A99-V114 PolarHBondContact N-O 2.84Å; A99-V114 PolarHBondContact O-N 2.87Å; V114-L205 HydrophobicContact CB-CD2 4.16Å; V114-L205 HydrophobicContact CG1-CD1 4.06Å; V114-L205 HydrophobicContact CG1-CD2 3.92Å; V114-L205 HydrophobicContact CG1-CG 3.84Å; V114-I209 HydrophobicContact CG1-CD1 3.93Å
115Q95.9Very high86Confident50 Ų5062.3 Ų62.323%0.23432%0.323CS..EExtended strand (participates in β ladder)trans-72.2127.3173.3-69.2-177.9-99.500110.1L94 P95 K97 I98 D117 A118L94-Q115 HydrophobicContact CB-CG 4.05Å; L94-Q115 HydrophobicContact CD1-CG 4.31Å; L94-Q115 HydrophobicContact CD2-CG 4.41Å; L94-Q115 HydrophobicContact CG-CG 4.49Å; P95-Q115 WeakPolarHBondContact O-CG 3.37Å; P95-Q115 PolarHBondContact O-NE2 3.19Å; K97-Q115 WeakPolarHBondContact O-CA 3.2Å; I98-Q115 HydrophobicContact CD1-CB 4.45Å; I98-Q115 HydrophobicContact CD1-CG 3.69Å; Q115-D117 VanDerWaalsContact C-N 3.28Å; Q115-D117 PolarHBondContact O-N 3.46Å; Q115-A118 HydrophobicContact CB-CB 4.02Å; Q115-A118 WeakPolarHBondContact O-CB 3.38Å; Q115-A118 PolarHBondContact O-N 3.45Å
116V91Very high87.4Confident43 Ų4358.6 Ų58.626%0.26131%0.307SS..G310 helixtrans-65.9-32.1-174.6177.80000112K97 A99K97-V116 HydrophobicContact CD-CB 4.25Å; K97-V116 HydrophobicContact CD-CG1 4.42Å; K97-V116 HydrophobicContact CD-CG2 4.32Å; K97-V116 HydrophobicContact CG-CB 4.23Å; K97-V116 HydrophobicContact CG-CG2 4Å; K97-V116 PolarHBondContact O-N 2.99Å; A99-V116 HydrophobicContact CB-CG2 3.88Å
117D90.6Very high89.3Confident122 Ų12255.2 Ų55.265%0.65229%0.291SS*.G310 helixtrans-83.8-9.1-179.659.5-37.9000113.7Q115 L119Q115-D117 VanDerWaalsContact C-N 3.28Å; Q115-D117 PolarHBondContact O-N 3.46Å; D117-L119 PolarHBondContact O-N 3.08Å
118A91.8Very high91.2Very high42 Ų4247.1 Ų47.135%0.34726%0.259SS..G310 helixtrans-71.4-19.7179.400000113.1V86 Q115V86-A118 HydrophobicContact CG1-CB 3.69Å; V86-A118 HydrophobicContact CG2-CB 4.02Å; Q115-A118 HydrophobicContact CB-CB 4.02Å; Q115-A118 WeakPolarHBondContact O-CB 3.38Å; Q115-A118 PolarHBondContact O-N 3.45Å
119L92.9Very high92.4Very high17 Ų1746.1 Ų46.19%0.08925%0.245CC..SBendtrans-136.5140.6-178.4-65.5166.8000109.9A62 V64 V86 D117 V125 L206 V211A62-L119 HydrophobicContact CB-CD2 3.63Å; V64-L119 HydrophobicContact CG2-CD1 4.07Å; V86-L119 HydrophobicContact CB-CD2 4.45Å; V86-L119 HydrophobicContact CB-CG 4.45Å; V86-L119 HydrophobicContact CG1-CD1 4.12Å; V86-L119 HydrophobicContact CG1-CG 4.22Å; V86-L119 HydrophobicContact CG2-CD2 3.77Å; V86-L119 HydrophobicContact CG2-CG 4.01Å; D117-L119 PolarHBondContact O-N 3.08Å; L119-V125 HydrophobicContact CD1-CG1 4.18Å; L119-V125 HydrophobicContact CD2-CG1 3.76Å; L119-L206 HydrophobicContact CD1-CD2 3.76Å; L119-V211 HydrophobicContact CB-CG2 3.63Å; L119-V211 HydrophobicContact CD1-CG1 4.17Å; L119-V211 HydrophobicContact CD1-CG2 4.03Å; L119-V211 HydrophobicContact CG-CG2 4.41Å
120Q91.6Very high92.8Very high156 Ų15640 Ų4073%0.72922%0.217SC*.  trans-84143.2173.6-66.2-178.6-26.100110.1S123Q120-S123 WeakPolarHBondContact O-CB 3.36Å; Q120-S123 PolarHBondContact O-N 3.44Å; Q120-S123 PolarHBondContact O-OG 3.41Å
121E92.7Very high93Very high169 Ų16940 Ų4079%0.7922%0.218SC*.THydrogen-bonded Turntrans-53.9140.1169.8-177.1171.8-175.900110.9S123E121-S123 VanDerWaalsContact C-N 3.25Å; E121-S123 PolarHBondContact O-N 3.04Å
122G92Very high93Very high44 Ų4438.6 Ų38.645%0.45421%0.209SC..THydrogen-bonded Turntrans77.53.9-174.400000114.7G210G122-G210 PolarHBondContact N-O 3.35Å
123S94.2Very high92.3Very high8 Ų839.7 Ų39.76%0.05622%0.219CC..  trans-70.5146.8173.8-64.40000111.9Q120 E121 Q212Q120-S123 WeakPolarHBondContact O-CB 3.36Å; Q120-S123 PolarHBondContact O-N 3.44Å; Q120-S123 PolarHBondContact O-OG 3.41Å; E121-S123 VanDerWaalsContact C-N 3.25Å; E121-S123 PolarHBondContact O-N 3.04Å; S123-Q212 PolarHBondContact O-N 3.33Å
124F96.2Very high90.9Very high72 Ų7238.8 Ų38.832%0.31622%0.216SC..EExtended strand (participates in β ladder)trans-102.2128.8170.5-73.3-87.1000109.4K59 N61 Q212 A214K59-F124 VanDerWaalsContact O-CB 3.23Å; K59-F124 WeakPolarHBondContact O-CB 3.33Å; N61-F124 WeakPolarHBondContact CB-O 3.43Å; N61-F124 PolarHBondContact N-O 3.33Å; N61-F124 PolarHBondContact OD1-N 3.17Å; F124-Q212 CarbonylContact C-O 3.52Å; F124-Q212 WeakPolarHBondContact CA-O 2.81Å; F124-Q212 HydrophobicContact CD1-CB 4.02Å; F124-Q212 HydrophobicContact CE1-CB 4.01Å; F124-Q212 VanDerWaalsContact CE1-OE1 3.25Å; F124-A214 HydrophobicContact CB-CB 4.17Å; F124-A214 HydrophobicContact CD1-CB 4.15Å
125V97.3Very high88.6Confident0 Ų039.9 Ų39.90%023%0.227CC..EExtended strand (participates in β ladder)trans-122.7150.8-178.7-600000112.5A62 V64 L119 L206 V211 Q212 V213 A214A62-V125 HydrophobicContact CB-CG1 4.18Å; A62-V125 WeakPolarHBondContact O-CA 3.43Å; V64-V125 HydrophobicContact CG2-CB 3.81Å; V64-V125 HydrophobicContact CG2-CG1 3.98Å; V64-V125 HydrophobicContact CG2-CG2 3.92Å; L119-V125 HydrophobicContact CD1-CG1 4.18Å; L119-V125 HydrophobicContact CD2-CG1 3.76Å; V125-L206 HydrophobicContact CG2-CD1 3.91Å; V125-V211 HydrophobicContact CB-CG1 4.26Å; V125-V211 HydrophobicContact CG1-CG1 3.59Å; V125-V211 HydrophobicContact CG2-CG1 3.69Å; V125-Q212 PolarHBondContact N-O 2.81Å; V125-V213 HydrophobicContact CG2-CG2 4.19Å; V125-A214 PolarHBondContact O-N 3.24Å
126L97.1Very high86.1Confident1 Ų138.2 Ų38.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-90.1114.8166.7-172.970000108.1S53 I60 A62 V63 V64 I77 M81 F217S53-L126 WeakPolarHBondContact OG-CD2 3.3Å; I60-L126 HydrophobicContact CD1-CB 4.11Å; I60-L126 HydrophobicContact CD1-CD1 4.24Å; I60-L126 HydrophobicContact CG2-CB 3.96Å; A62-L126 PolarHBondContact O-N 3Å; V63-L126 WeakPolarHBondContact CA-O 3.47Å; V63-L126 HydrophobicContact CG2-CB 4.31Å; V63-L126 HydrophobicContact CG2-CD2 4.19Å; V64-L126 PolarHBondContact N-O 3.4Å; I77-L126 HydrophobicContact CG2-CD2 4.02Å; M81-L126 HydrophobicContact SD-CD2 3.99Å; L126-F217 HydrophobicContact CD1-CD2 3.32Å; L126-F217 HydrophobicContact CD1-CE2 3.47Å; L126-F217 VanDerWaalsContact CD1-CE2 3.47Å; L126-F217 HydrophobicContact CD1-CG 4.4Å; L126-F217 HydrophobicContact CG-CD2 4.23Å
127L96.7Very high83.8Confident0 Ų038 Ų380%022%0.22CC..EExtended strand (participates in β ladder)trans-86134.4172.917963.9000109.3V64 L66 A202 V203 V213 Y215 A216 F217V64-L127 HydrophobicContact CB-CD1 4.35Å; V64-L127 HydrophobicContact CG1-CD1 4.06Å; V64-L127 CarbonylContact O-C 3.53Å; V64-L127 WeakPolarHBondContact O-CA 3.5Å; L66-L127 HydrophobicContact CD2-CD1 4.08Å; L66-L127 HydrophobicContact CG-CD1 4.3Å; L127-A202 HydrophobicContact CD1-CB 4.29Å; L127-A202 HydrophobicContact CD2-CB 4.19Å; L127-V203 HydrophobicContact CD2-CG2 3.94Å; L127-V213 HydrophobicContact CB-CG1 3.74Å; L127-Y215 PolarHBondContact N-O 3.44Å; L127-A216 HydrophobicContact CB-CB 4.24Å; L127-A216 HydrophobicContact CD2-CB 4.34Å; L127-A216 CarbonylContact O-C 3.55Å; L127-A216 WeakPolarHBondContact O-CA 3.3Å; L127-F217 PolarHBondContact O-N 3.03Å
128F94.3Very high81.3Confident0 Ų033.2 Ų33.20%020%0.196CC..EExtended strand (participates in β ladder)trans-128.6136.3175.1-174.3-84.6000111.6L49 V64 A65 L66 F73 I77 F217 L219L49-F128 HydrophobicContact CD1-CE2 3.95Å; L49-F128 HydrophobicContact CD2-CE2 4.28Å; V64-F128 PolarHBondContact O-N 2.98Å; A65-F128 WeakPolarHBondContact CA-O 3.15Å; A65-F128 HydrophobicContact CB-CB 4.36Å; A65-F128 WeakPolarHBondContact CB-O 3.48Å; L66-F128 PolarHBondContact N-O 2.87Å; F73-F128 HydrophobicContact CB-CD1 4.06Å; F73-F128 HydrophobicContact CB-CE1 3.38Å; F73-F128 HydrophobicContact CB-CE2 4.38Å; F73-F128 HydrophobicContact CB-CZ 3.55Å; F73-F128 AromaticContact CD2-CE1 3.74Å; F73-F128 HydrophobicContact CD2-CE1 3.74Å; F73-F128 HydrophobicContact CD2-CZ 4.02Å; F73-F128 AromaticContact CG-CE1 3.81Å; F73-F128 HydrophobicContact CG-CE1 3.81Å; F73-F128 AromaticContact CG-CZ 3.81Å; F73-F128 HydrophobicContact CG-CZ 3.81Å; I77-F128 HydrophobicContact CD1-CB 4.5Å; I77-F128 HydrophobicContact CD1-CD1 4.41Å; I77-F128 HydrophobicContact CD1-CD2 3.41Å; I77-F128 VanDerWaalsContact CD1-CD2 3.41Å; I77-F128 HydrophobicContact CD1-CE2 3.64Å; I77-F128 HydrophobicContact CD1-CG 3.83Å; I77-F128 HydrophobicContact CD1-CZ 4.26Å; F128-F217 WeakPolarHBondContact CA-O 3.34Å; F128-F217 HydrophobicContact CD2-CB 3.84Å; F128-F217 HydrophobicContact CE2-CB 4.4Å; F128-L219 HydrophobicContact CZ-CB 4.35Å
129D92Very high78.6Confident16 Ų1636.5 Ų36.59%0.08620%0.203CC..EExtended strand (participates in β ladder)trans-141.4163.1163.1-161.211.3000110.4L66 F217 F218 L219L66-D129 HydrophobicContact CB-CB 4.29Å; L66-D129 HydrophobicContact CD1-CB 3.95Å; L66-D129 WeakPolarHBondContact CD1-OD2 3.49Å; L66-D129 HydrophobicContact CG-CB 4.17Å; D129-F217 PolarHBondContact N-O 3.09Å; D129-F217 VanDerWaalsContact N-O 3.08Å; D129-F218 HydrophobicContact CB-CD1 3.9Å; D129-F218 HydrophobicContact CB-CE1 3.89Å; D129-F218 WeakPolarHBondContact O-CA 3.43Å; D129-L219 PolarHBondContact O-N 3.23Å
130D86.4Confident76Confident5 Ų539.8 Ų39.83%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-75-42-178.180-46.6000112.2L32 R69 F73 L219 A220L32-D130 HydrophobicContact CD1-CB 4.3Å; R69-D130 HydrophobicContact CB-CB 3.87Å; R69-D130 VanDerWaalsContact CB-OD2 3.3Å; R69-D130 WeakPolarHBondContact CB-OD2 3.47Å; R69-D130 WeakPolarHBondContact CD-OD2 3.31Å; R69-D130 VanDerWaalsContact CZ-CG 3.41Å; R69-D130 IonicContact CZ-OD1 2.66Å; R69-D130 IonicContact CZ-OD2 3.19Å; R69-D130 IonicContact NE-OD1 3.35Å; R69-D130 PolarHBondContact NE-OD1 3.31Å; R69-D130 IonicContact NE-OD2 3.96Å; R69-D130 PolarHBondContact NE-OD2 3.46Å; R69-D130 IonicContact NH1-OD2 2.83Å; R69-D130 PolarHBondContact NH1-OD2 3.49Å; R69-D130 IonicContact NH2-OD1 3.99Å; R69-D130 PolarHBondContact NH2-OD1 3.03Å; R69-D130 IonicContact NH2-OD2 2.85Å; R69-D130 PolarHBondContact NH2-OD2 3.31Å; F73-D130 HydrophobicContact CE2-CB 4.5Å; D130-L219 WeakPolarHBondContact O-CB 3.12Å; D130-L219 PolarHBondContact O-N 2.69Å; D130-A220 PolarHBondContact O-N 3.28Å
131V87.8Confident73.5Confident23 Ų2334.7 Ų34.714%0.13920%0.198CC..EExtended strand (participates in β ladder)trans-133122.2-177.5-177.60000111.3L32 A133 A220 L222L32-V131 HydrophobicContact CD1-CG2 3.86Å; V131-A133 HydrophobicContact CG1-CB 4.22Å; V131-A133 PolarHBondContact O-N 2.65Å; V131-A220 CarbonylContact C-O 3.6Å; V131-A220 VanDerWaalsContact CA-O 3.29Å; V131-A220 WeakPolarHBondContact CA-O 3.02Å; V131-A220 HydrophobicContact CG2-CB 4.36Å; V131-L222 HydrophobicContact CG1-CD1 4.26Å; V131-L222 HydrophobicContact CG1-CG 4.11Å
132L88Confident71Confident2 Ų231.6 Ų31.61%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-80.4113.1161.8-17557.8000109.8A199 F218 A220 E221 L222 A228 L231 Y236L132-A199 HydrophobicContact CD1-CB 4.07Å; L132-F218 HydrophobicContact CB-CB 4.04Å; L132-F218 HydrophobicContact CB-CD1 3.67Å; L132-F218 HydrophobicContact CB-CD2 3.87Å; L132-F218 HydrophobicContact CB-CE1 4.06Å; L132-F218 HydrophobicContact CB-CE2 4.24Å; L132-F218 HydrophobicContact CB-CG 3.57Å; L132-F218 HydrophobicContact CB-CZ 4.33Å; L132-F218 HydrophobicContact CD1-CE1 4.01Å; L132-F218 HydrophobicContact CD1-CE2 4.17Å; L132-F218 HydrophobicContact CD1-CZ 3.84Å; L132-F218 HydrophobicContact CD2-CD2 3.88Å; L132-F218 HydrophobicContact CD2-CE2 3.82Å; L132-F218 HydrophobicContact CD2-CG 4.46Å; L132-F218 HydrophobicContact CD2-CZ 4.34Å; L132-F218 HydrophobicContact CG-CD2 4.35Å; L132-F218 HydrophobicContact CG-CE2 4.3Å; L132-F218 HydrophobicContact CG-CG 4.48Å; L132-F218 HydrophobicContact CG-CZ 4.39Å; L132-A220 PolarHBondContact N-O 3Å; L132-E221 HydrophobicContact CB-CB 4.18Å; L132-E221 HydrophobicContact CB-CG 4.19Å; L132-E221 HydrophobicContact CD2-CG 4.16Å; L132-E221 HydrophobicContact CG-CG 4.34Å; L132-E221 WeakPolarHBondContact O-CA 3.47Å; L132-L222 PolarHBondContact O-N 2.76Å; L132-A228 HydrophobicContact CD2-CB 4.2Å; L132-L231 HydrophobicContact CD2-CD1 4.27Å; L132-Y236 HydrophobicContact CD2-CD2 4.12Å; L132-Y236 HydrophobicContact CD2-CE2 4.07Å
133A78.2Confident68.4Low32 Ų3235.6 Ų35.626%0.26419%0.19SC..  trans-135.1162.3175.700000109.9V131 S197 L222 L225V131-A133 HydrophobicContact CG1-CB 4.22Å; V131-A133 PolarHBondContact O-N 2.65Å; A133-S197 WeakPolarHBondContact O-CB 3.14Å; A133-L222 HydrophobicContact CB-CD1 4.26Å; A133-L225 HydrophobicContact CB-CD1 3.61Å
134T66.9Low66.1Low13 Ų1339.8 Ų39.88%0.0821%0.211CC..  trans-92.4153.3162.255.50000111G136 L225 F230T134-G136 PolarHBondContact O-N 3.32Å; T134-L225 WeakPolarHBondContact CB-O 3.22Å; T134-L225 HydrophobicContact CG2-CB 4.37Å; T134-L225 WeakPolarHBondContact CG2-O 3.11Å; T134-L225 VanDerWaalsContact OG1-CB 3.23Å; T134-L225 WeakPolarHBondContact OG1-CB 3.25Å; T134-L225 PolarHBondContact OG1-O 2.83Å; T134-F230 HydrophobicContact CG2-CD2 3.89Å; T134-F230 HydrophobicContact CG2-CE2 3.52Å
135G47.8Very low63.6Low22 Ų2238.6 Ų38.623%0.22721%0.211CC..  trans-72.278.8159.500000109.6I137G135-I137 PolarHBondContact O-N 2.86Å
136G42.7Very low61.2Low16 Ų1642.3 Ų42.317%0.16523%0.234CC..SBendtrans39.3-33.215500000122.5T134 L140T134-G136 PolarHBondContact O-N 3.32Å; G136-L140 PolarHBondContact O-N 3.26Å
137I43.1Very low58.9Low37 Ų3746.1 Ų46.119%0.1926%0.257CS..Hα-helixtrans-74.9-38.4-167-77.5-176.7000113E106 G135 F139 L140 I141E106-I137 HydrophobicContact CB-CG1 4.2Å; E106-I137 HydrophobicContact CG-CD1 4.46Å; E106-I137 HydrophobicContact CG-CG1 3.86Å; E106-I137 WeakPolarHBondContact O-CD1 3.31Å; G135-I137 PolarHBondContact O-N 2.86Å; I137-F139 PolarHBondContact O-N 3.28Å; I137-L140 PolarHBondContact O-N 3.46Å; I137-L140 VanDerWaalsContact O-N 3.09Å; I137-I141 HydrophobicContact CG2-CB 4.15Å; I137-I141 HydrophobicContact CG2-CD1 3.18Å; I137-I141 HydrophobicContact CG2-CG1 3.57Å; I137-I141 WeakPolarHBondContact O-CB 3.12Å; I137-I141 PolarHBondContact O-N 3.33Å
138C37.4Very low56.9Low22 Ų2251.3 Ų51.315%0.14928%0.28CS..Hα-helixtrans-59.4-37.7-178.1-77.60000111.2I142C138-I142 WeakPolarHBondContact O-CB 3.44Å; C138-I142 VanDerWaalsContact O-CD1 3.22Å; C138-I142 WeakPolarHBondContact O-CD1 3.18Å; C138-I142 WeakPolarHBondContact O-CG1 3.19Å; C138-I142 PolarHBondContact O-N 2.74Å
139F35.4Very low54.8Low111 Ų11155.7 Ų55.749%0.48730%0.302SS..Hα-helixtrans-73-42.2175-158.8-95.6000112.6I137 K143I137-F139 PolarHBondContact O-N 3.28Å; F139-K143 HydrophobicContact CE1-CD 4.22Å; F139-K143 WeakPolarHBondContact O-CB 3.27Å; F139-K143 PolarHBondContact O-N 2.72Å
140L37.9Very low52.8Low87 Ų8757.7 Ų57.746%0.45532%0.321SS..Hα-helixtrans-71.1-44.2-177.6-161.475.6000112.5G136 I137 K143 I144G136-L140 PolarHBondContact O-N 3.26Å; I137-L140 PolarHBondContact O-N 3.46Å; I137-L140 VanDerWaalsContact O-N 3.09Å; L140-K143 PolarHBondContact O-N 2.99Å; L140-I144 HydrophobicContact CD2-CD1 4.18Å; L140-I144 HydrophobicContact CG-CD1 3.87Å; L140-I144 WeakPolarHBondContact O-CB 3.42Å; L140-I144 VanDerWaalsContact O-CG1 3.23Å; L140-I144 WeakPolarHBondContact O-CG1 3.29Å; L140-I144 PolarHBondContact O-N 3.34Å
141I39.8Very low51.4Low49 Ų4961 Ų6125%0.25134%0.341SS..Hα-helixtrans-66.9-44.2174.7-73-175.6000110.2I137 K143 I144 C145 T187I137-I141 HydrophobicContact CG2-CB 4.15Å; I137-I141 HydrophobicContact CG2-CD1 3.18Å; I137-I141 HydrophobicContact CG2-CG1 3.57Å; I137-I141 WeakPolarHBondContact O-CB 3.12Å; I137-I141 PolarHBondContact O-N 3.33Å; I141-K143 VanDerWaalsContact C-N 3.26Å; I141-K143 PolarHBondContact O-N 3.18Å; I141-I144 PolarHBondContact O-N 3.25Å; I141-C145 VanDerWaalsContact CG2-SG 3.56Å; I141-C145 WeakPolarHBondContact O-CA 3.12Å; I141-C145 WeakPolarHBondContact O-CB 3.25Å; I141-C145 PolarHBondContact O-N 2.67Å; I141-C145 PolarHBondContact O-SG 3.21Å; I141-T187 HydrophobicContact CD1-CG2 3.87Å
142I40.3Very low49.8Very low104 Ų10466.3 Ų66.353%0.53336%0.36SS..Hα-helixtrans-61.6-38.7175.9-68.4168.7000110.4C138 T146C138-I142 WeakPolarHBondContact O-CB 3.44Å; C138-I142 VanDerWaalsContact O-CD1 3.22Å; C138-I142 WeakPolarHBondContact O-CD1 3.18Å; C138-I142 WeakPolarHBondContact O-CG1 3.19Å; C138-I142 PolarHBondContact O-N 2.74Å; I142-T146 HydrophobicContact CG2-CG2 4.16Å; I142-T146 VanDerWaalsContact O-CB 3.27Å; I142-T146 WeakPolarHBondContact O-CB 3.43Å; I142-T146 WeakPolarHBondContact O-CG2 3.44Å; I142-T146 PolarHBondContact O-N 3.5Å; I142-T146 PolarHBondContact O-OG1 3.35Å
143K36.6Very low48Very low127 Ų12772.9 Ų72.955%0.55239%0.389SS*.Hα-helixtrans-69.6-41177.2-168.4168.8-178.1174.70112.8F139 L140 I141 T146 T147F139-K143 HydrophobicContact CE1-CD 4.22Å; F139-K143 WeakPolarHBondContact O-CB 3.27Å; F139-K143 PolarHBondContact O-N 2.72Å; L140-K143 PolarHBondContact O-N 2.99Å; I141-K143 VanDerWaalsContact C-N 3.26Å; I141-K143 PolarHBondContact O-N 3.18Å; K143-T146 WeakPolarHBondContact CA-OG1 3.4Å; K143-T146 PolarHBondContact O-OG1 3.44Å; K143-T146 VanDerWaalsContact O-OG1 3.1Å; K143-T147 VanDerWaalsContact O-CB 3.27Å; K143-T147 WeakPolarHBondContact O-CB 3.41Å; K143-T147 PolarHBondContact O-N 3.1Å; K143-T147 PolarHBondContact O-OG1 2.8Å
144I45.8Very low46.8Very low97 Ų9780.6 Ų80.650%0.49741%0.411SS..Hα-helixtrans-67.5-46.8175.1-71.3168.7000109.9L140 I141 T147 F148L140-I144 HydrophobicContact CD2-CD1 4.18Å; L140-I144 HydrophobicContact CG-CD1 3.87Å; L140-I144 WeakPolarHBondContact O-CB 3.42Å; L140-I144 VanDerWaalsContact O-CG1 3.23Å; L140-I144 WeakPolarHBondContact O-CG1 3.29Å; L140-I144 PolarHBondContact O-N 3.34Å; I141-I144 PolarHBondContact O-N 3.25Å; I144-T147 PolarHBondContact O-N 2.82Å; I144-F148 WeakPolarHBondContact O-CB 3.23Å; I144-F148 PolarHBondContact O-N 3.25Å
145C43.5Very low46.4Very low47 Ų4784.5 Ų84.532%0.31843%0.43SS..Hα-helixtrans-64.4-42.5178.4-71.40000111.8I141 F148 I149I141-C145 VanDerWaalsContact CG2-SG 3.56Å; I141-C145 WeakPolarHBondContact O-CA 3.12Å; I141-C145 WeakPolarHBondContact O-CB 3.25Å; I141-C145 PolarHBondContact O-N 2.67Å; I141-C145 PolarHBondContact O-SG 3.21Å; C145-F148 PolarHBondContact O-N 3.09Å; C145-I149 VanDerWaalsContact O-CB 3.25Å; C145-I149 WeakPolarHBondContact O-CB 3.37Å; C145-I149 WeakPolarHBondContact O-CD1 3.38Å; C145-I149 WeakPolarHBondContact O-CG1 3.31Å; C145-I149 PolarHBondContact O-N 2.61Å
146T47.4Very low46.7Very low78 Ų7886.1 Ų86.148%0.47943%0.434SS..Hα-helixtrans-66.2-41175.749.50000111.6I142 K143 A150I142-T146 HydrophobicContact CG2-CG2 4.16Å; I142-T146 VanDerWaalsContact O-CB 3.27Å; I142-T146 WeakPolarHBondContact O-CB 3.43Å; I142-T146 WeakPolarHBondContact O-CG2 3.44Å; I142-T146 PolarHBondContact O-N 3.5Å; I142-T146 PolarHBondContact O-OG1 3.35Å; K143-T146 WeakPolarHBondContact CA-OG1 3.4Å; K143-T146 PolarHBondContact O-OG1 3.44Å; K143-T146 VanDerWaalsContact O-OG1 3.1Å; T146-A150 WeakPolarHBondContact O-CB 3.1Å; T146-A150 PolarHBondContact O-N 3.48Å
147T49.1Very low47.4Very low80 Ų8090.3 Ų90.349%0.49145%0.452SS..Hα-helixtrans-63.6-43.6173.1-54.80000111K143 I144 A150 V151K143-T147 VanDerWaalsContact O-CB 3.27Å; K143-T147 WeakPolarHBondContact O-CB 3.41Å; K143-T147 PolarHBondContact O-N 3.1Å; K143-T147 PolarHBondContact O-OG1 2.8Å; I144-T147 PolarHBondContact O-N 2.82Å; T147-A150 PolarHBondContact O-N 3.46Å; T147-V151 WeakPolarHBondContact O-CB 3.47Å; T147-V151 VanDerWaalsContact O-CG2 3.28Å; T147-V151 WeakPolarHBondContact O-CG2 3.28Å; T147-V151 PolarHBondContact O-N 2.79Å
148F53.9Low48Very low110 Ų11094 Ų9448%0.48247%0.471SS..Hα-helixtrans-68.6-40.5-179.9-165.4-92.5000111.5I144 C145 A150 V151 Y152I144-F148 WeakPolarHBondContact O-CB 3.23Å; I144-F148 PolarHBondContact O-N 3.25Å; C145-F148 PolarHBondContact O-N 3.09Å; F148-A150 VanDerWaalsContact C-N 3.34Å; F148-V151 PolarHBondContact O-N 3.34Å; F148-Y152 WeakPolarHBondContact O-CB 3.38Å; F148-Y152 PolarHBondContact O-N 3.41Å
149I50Low49Very low91 Ų9196.1 Ų96.147%0.46748%0.478SS..Hα-helixtrans-64.9-38.6173.4-70.5164.5000110.5C145 Y152 K153C145-I149 VanDerWaalsContact O-CB 3.25Å; C145-I149 WeakPolarHBondContact O-CB 3.37Å; C145-I149 WeakPolarHBondContact O-CD1 3.38Å; C145-I149 WeakPolarHBondContact O-CG1 3.31Å; C145-I149 PolarHBondContact O-N 2.61Å; I149-Y152 PolarHBondContact O-N 3.2Å; I149-K153 HydrophobicContact CG2-CD 4.44Å; I149-K153 HydrophobicContact CG2-CG 4.5Å; I149-K153 WeakPolarHBondContact O-CB 3.4Å; I149-K153 WeakPolarHBondContact O-CG 3.15Å; I149-K153 PolarHBondContact O-N 3.31Å
150A51.3Low50.1Low59 Ų5995 Ų9549%0.48848%0.48SS..Hα-helixtrans-65.6-43.5175.100000111.8T146 T147 F148 R154T146-A150 WeakPolarHBondContact O-CB 3.1Å; T146-A150 PolarHBondContact O-N 3.48Å; T147-A150 PolarHBondContact O-N 3.46Å; F148-A150 VanDerWaalsContact C-N 3.34Å; A150-R154 WeakPolarHBondContact O-CB 3.32Å; A150-R154 PolarHBondContact O-N 3.38Å
151V56.7Low51Low73 Ų7397.9 Ų97.944%0.44249%0.489SS..Hα-helixtrans-63.3-44.1173.41710000110.5T147 F148 R154 L155T147-V151 WeakPolarHBondContact O-CB 3.47Å; T147-V151 VanDerWaalsContact O-CG2 3.28Å; T147-V151 WeakPolarHBondContact O-CG2 3.28Å; T147-V151 PolarHBondContact O-N 2.79Å; F148-V151 PolarHBondContact O-N 3.34Å; V151-R154 PolarHBondContact O-N 3.23Å; V151-L155 HydrophobicContact CG1-CD1 3.71Å; V151-L155 HydrophobicContact CG1-CG 4.2Å; V151-L155 WeakPolarHBondContact O-CB 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 3.03Å
152Y53.8Low51.7Low135 Ų13598 Ų9853%0.52950%0.497SS..Hα-helixtrans-63.4-47.5178.6-175.3-100.1000111.6F148 I149 R154 L155 N156F148-Y152 WeakPolarHBondContact O-CB 3.38Å; F148-Y152 PolarHBondContact O-N 3.41Å; I149-Y152 PolarHBondContact O-N 3.2Å; Y152-R154 VanDerWaalsContact C-N 3.26Å; Y152-R154 PolarHBondContact O-N 3.06Å; Y152-L155 PolarHBondContact O-N 3.28Å; Y152-N156 WeakPolarHBondContact CE1-ND2 3.49Å; Y152-N156 WeakPolarHBondContact O-CB 3.38Å; Y152-N156 PolarHBondContact O-N 3.3Å; Y152-N156 PolarHBondContact OH-ND2 2.84Å; Y152-N156 VanDerWaalsContact OH-ND2 3.15Å
153K49.5Very low52.5Low141 Ų14196.7 Ų96.761%0.61349%0.493SS*.Hα-helixtrans-57.5-41.4173.7-81-175.9177.6-178.80111.1I149 I157I149-K153 HydrophobicContact CG2-CD 4.44Å; I149-K153 HydrophobicContact CG2-CG 4.5Å; I149-K153 WeakPolarHBondContact O-CB 3.4Å; I149-K153 WeakPolarHBondContact O-CG 3.15Å; I149-K153 PolarHBondContact O-N 3.31Å; K153-I157 WeakPolarHBondContact O-CD1 3.23Å; K153-I157 VanDerWaalsContact O-CG1 3.23Å; K153-I157 WeakPolarHBondContact O-CG1 3.41Å; K153-I157 PolarHBondContact O-N 2.86Å; K153-I157 VanDerWaalsContact O-N 3.11Å
154R54.7Low53.5Low194 Ų19495.3 Ų95.373%0.73250%0.499SS*.Hα-helixtrans-68.9-41.3178.4-163.3172.4-172.8173.21.6112.5A150 V151 Y152 L158A150-R154 WeakPolarHBondContact O-CB 3.32Å; A150-R154 PolarHBondContact O-N 3.38Å; V151-R154 PolarHBondContact O-N 3.23Å; Y152-R154 VanDerWaalsContact C-N 3.26Å; Y152-R154 PolarHBondContact O-N 3.06Å; R154-L158 PolarHBondContact O-N 3.23Å; R154-L158 VanDerWaalsContact O-N 3.14Å
155L57.8Low54.1Low94 Ų9495.1 Ų95.149%0.49251%0.505SS..Hα-helixtrans-68.5-40.5176.7-74.8173.8000111.7V151 Y152 I157 L158 F159V151-L155 HydrophobicContact CG1-CD1 3.71Å; V151-L155 HydrophobicContact CG1-CG 4.2Å; V151-L155 WeakPolarHBondContact O-CB 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 3.03Å; Y152-L155 PolarHBondContact O-N 3.28Å; L155-I157 VanDerWaalsContact C-N 3.35Å; L155-I157 PolarHBondContact O-N 2.95Å; L155-L158 CarbonylContact O-C 3.6Å; L155-L158 WeakPolarHBondContact O-CB 3.34Å; L155-L158 PolarHBondContact O-N 3.34Å; L155-F159 VanDerWaalsContact O-CB 3.29Å; L155-F159 WeakPolarHBondContact O-CB 3.33Å; L155-F159 PolarHBondContact O-N 3.4Å
156N54Low54.8Low57 Ų5798.7 Ų98.731%0.30553%0.531SS..Hα-helixtrans-64.6-39.5176.6-115.9-34.4000111.7Y152 L158 F159 V160Y152-N156 WeakPolarHBondContact CE1-ND2 3.49Å; Y152-N156 WeakPolarHBondContact O-CB 3.38Å; Y152-N156 PolarHBondContact O-N 3.3Å; Y152-N156 PolarHBondContact OH-ND2 2.84Å; Y152-N156 VanDerWaalsContact OH-ND2 3.15Å; N156-L158 VanDerWaalsContact C-N 3.32Å; N156-L158 PolarHBondContact O-N 3.29Å; N156-F159 PolarHBondContact O-N 3.11Å; N156-V160 WeakPolarHBondContact O-CG2 3.36Å; N156-V160 PolarHBondContact O-N 3.46Å
157I57.8Low55.7Low104 Ų10498.4 Ų98.453%0.53353%0.526SS..Hα-helixtrans-62.8-39.9173.5-69165.6000111.1K153 L155 K161K153-I157 WeakPolarHBondContact O-CD1 3.23Å; K153-I157 VanDerWaalsContact O-CG1 3.23Å; K153-I157 WeakPolarHBondContact O-CG1 3.41Å; K153-I157 PolarHBondContact O-N 2.86Å; K153-I157 VanDerWaalsContact O-N 3.11Å; L155-I157 VanDerWaalsContact C-N 3.35Å; L155-I157 PolarHBondContact O-N 2.95Å; I157-K161 PolarHBondContact O-N 3.18Å
158L56.1Low56.4Low114 Ų114104.4 Ų104.460%0.59754%0.54SS*.Hα-helixtrans-66-40.1174.4-118.885.5000111.9R154 L155 N156 K161 A162R154-L158 PolarHBondContact O-N 3.23Å; R154-L158 VanDerWaalsContact O-N 3.14Å; L155-L158 CarbonylContact O-C 3.6Å; L155-L158 WeakPolarHBondContact O-CB 3.34Å; L155-L158 PolarHBondContact O-N 3.34Å; N156-L158 VanDerWaalsContact C-N 3.32Å; N156-L158 PolarHBondContact O-N 3.29Å; L158-K161 PolarHBondContact O-N 3.3Å; L158-A162 WeakPolarHBondContact O-CB 3.27Å; L158-A162 PolarHBondContact O-N 3.39Å
159F57.8Low57.2Low67 Ų67107.3 Ų107.329%0.29455%0.552SS.*Hα-helixtrans-67.8-46-178.8179-99.1000112.1L155 N156 K161 A162 V163 Y171L155-F159 VanDerWaalsContact O-CB 3.29Å; L155-F159 WeakPolarHBondContact O-CB 3.33Å; L155-F159 PolarHBondContact O-N 3.4Å; N156-F159 PolarHBondContact O-N 3.11Å; F159-K161 VanDerWaalsContact C-N 3.26Å; F159-K161 PolarHBondContact O-N 3.04Å; F159-A162 PolarHBondContact O-N 3.2Å; F159-V163 HydrophobicContact CD1-CG2 4.11Å; F159-V163 HydrophobicContact CD2-CG2 4.25Å; F159-V163 HydrophobicContact CE1-CG2 3.71Å; F159-V163 HydrophobicContact CE2-CG2 3.86Å; F159-V163 HydrophobicContact CG-CG2 4.38Å; F159-V163 HydrophobicContact CZ-CG2 3.58Å; F159-V163 WeakPolarHBondContact O-CG2 3.28Å; F159-V163 PolarHBondContact O-N 2.83Å; F159-Y171 HydrophobicContact CE2-CD2 4.05Å; F159-Y171 HydrophobicContact CE2-CE2 4.32Å; F159-Y171 AromaticContact CZ-CD2 3.9Å; F159-Y171 HydrophobicContact CZ-CD2 3.9Å; F159-Y171 AromaticContact CZ-CE2 3.81Å; F159-Y171 HydrophobicContact CZ-CE2 3.81Å
160V58.3Low57.9Low86 Ų86111.6 Ų111.652%0.52156%0.563SS.*Hα-helixtrans-59-40.3174.9171.70000110.5N156 C164N156-V160 WeakPolarHBondContact O-CG2 3.36Å; N156-V160 PolarHBondContact O-N 3.46Å; V160-C164 WeakPolarHBondContact O-CB 3.44Å; V160-C164 PolarHBondContact O-N 3.28Å; V160-C164 PolarHBondContact O-SG 3.13Å
161K56Low58.3Low149 Ų149113 Ų11365%0.64856%0.556SS**Hα-helixtrans-63.2-41.7172.8-77-178.2176.2-177.20112.6I157 L158 F159 C165I157-K161 PolarHBondContact O-N 3.18Å; L158-K161 PolarHBondContact O-N 3.3Å; F159-K161 VanDerWaalsContact C-N 3.26Å; F159-K161 PolarHBondContact O-N 3.04Å; K161-C165 PolarHBondContact O-N 3.46Å; K161-C165 PolarHBondContact O-SG 2.98Å; K161-C165 VanDerWaalsContact O-SG 3.38Å
162A56.2Low58.7Low51 Ų51114.7 Ų114.742%0.42156%0.562SS.*Hα-helixtrans-70.5-37.6-179.200000113.1L158 F159 C165L158-A162 WeakPolarHBondContact O-CB 3.27Å; L158-A162 PolarHBondContact O-N 3.39Å; F159-A162 PolarHBondContact O-N 3.2Å; A162-C165 CarbonylContact O-C 3.41Å; A162-C165 PolarHBondContact O-N 3.19Å
163V57.2Low59.3Low76 Ų76115 Ų11546%0.46157%0.572SS.*Hα-helixtrans-72.2-39.3177.8174.40000111.3F159 C165 S166 Y171F159-V163 HydrophobicContact CD1-CG2 4.11Å; F159-V163 HydrophobicContact CD2-CG2 4.25Å; F159-V163 HydrophobicContact CE1-CG2 3.71Å; F159-V163 HydrophobicContact CE2-CG2 3.86Å; F159-V163 HydrophobicContact CG-CG2 4.38Å; F159-V163 HydrophobicContact CZ-CG2 3.58Å; F159-V163 WeakPolarHBondContact O-CG2 3.28Å; F159-V163 PolarHBondContact O-N 2.83Å; V163-C165 PolarHBondContact O-N 2.85Å; V163-S166 PolarHBondContact O-N 2.88Å; V163-Y171 HydrophobicContact CG2-CD2 4.25Å
164C57.1Low59.9Low99 Ų99111.9 Ų111.967%0.66956%0.561SS**Hα-helixtrans-62.7-26.2172.5-72.40000112.2V160 S166V160-C164 WeakPolarHBondContact O-CB 3.44Å; V160-C164 PolarHBondContact O-N 3.28Å; V160-C164 PolarHBondContact O-SG 3.13Å; C164-S166 VanDerWaalsContact C-N 3.3Å; C164-S166 PolarHBondContact O-N 3.45Å
165C57.6Low60Low93 Ų93107.2 Ų107.263%0.62854%0.544SS*.THydrogen-bonded Turntrans-87.163.9171.1-68.60000111.4K161 A162 V163 D167K161-C165 PolarHBondContact O-N 3.46Å; K161-C165 PolarHBondContact O-SG 2.98Å; K161-C165 VanDerWaalsContact O-SG 3.38Å; A162-C165 CarbonylContact O-C 3.41Å; A162-C165 PolarHBondContact O-N 3.19Å; V163-C165 PolarHBondContact O-N 2.85Å; C165-D167 PolarHBondContact O-N 2.91Å
166S59.5Low60.3Low122 Ų122106.1 Ų106.185%0.85354%0.543SS*.THydrogen-bonded Turntrans2514.8159-56.80000122.8V163 C164 R168V163-S166 PolarHBondContact O-N 2.88Å; C164-S166 VanDerWaalsContact C-N 3.3Å; C164-S166 PolarHBondContact O-N 3.45Å; S166-R168 PolarHBondContact O-N 2.88Å
167D65.1Low60.3Low71 Ų71108.8 Ų108.838%0.3855%0.554SS.*  trans-104.482.1-176.5-167.8-3.8000110.7C165 K169 R170 Y171C165-D167 PolarHBondContact O-N 2.91Å; D167-K169 PolarHBondContact O-N 2.89Å; D167-K169 VanDerWaalsContact O-N 3.09Å; D167-K169 WeakPolarHBondContact OD1-CB 3.36Å; D167-K169 PolarHBondContact OD1-N 3.47Å; D167-R170 PolarHBondContact O-N 3.21Å; D167-R170 VanDerWaalsContact O-N 3.1Å; D167-Y171 PolarHBondContact O-N 3.39Å
168R64.2Low60.1Low207 Ų207106.5 Ų106.578%0.78155%0.545SS*.Hα-helixtrans-54.6-26.3177.6-165.1178.7-172.3-160.23112.9S166 Y171 L172S166-R168 PolarHBondContact O-N 2.88Å; R168-Y171 PolarHBondContact O-N 3.25Å; R168-L172 PolarHBondContact O-N 3.42Å
169K70.3Confident59.8Low171 Ų171108.8 Ų108.874%0.74355%0.546SS*.Hα-helixtrans-70-39178.9-68.7-175.5179.2179.40111.7D167 L172 L173D167-K169 PolarHBondContact O-N 2.89Å; D167-K169 VanDerWaalsContact O-N 3.09Å; D167-K169 WeakPolarHBondContact OD1-CB 3.36Å; D167-K169 PolarHBondContact OD1-N 3.47Å; K169-L172 PolarHBondContact O-N 3.4Å; K169-L173 PolarHBondContact O-N 3.33Å
170R64.7Low59.5Low181 Ų181111.9 Ų111.968%0.68357%0.565SS**Hα-helixtrans-65.8-37.6175.2-89.2179171.6165.10.2112.7D167 L173 L174D167-R170 PolarHBondContact O-N 3.21Å; D167-R170 VanDerWaalsContact O-N 3.1Å; R170-L173 PolarHBondContact O-N 2.94Å; R170-L174 PolarHBondContact O-N 3.27Å
171Y59.6Low59Low87 Ų87113.4 Ų113.434%0.34157%0.568SS.*Hα-helixtrans-58.1-48.8175.6171.3-93.2000111.9F159 V163 D167 R168 L173 L174 W175F159-Y171 HydrophobicContact CE2-CD2 4.05Å; F159-Y171 HydrophobicContact CE2-CE2 4.32Å; F159-Y171 AromaticContact CZ-CD2 3.9Å; F159-Y171 HydrophobicContact CZ-CD2 3.9Å; F159-Y171 AromaticContact CZ-CE2 3.81Å; F159-Y171 HydrophobicContact CZ-CE2 3.81Å; V163-Y171 HydrophobicContact CG2-CD2 4.25Å; D167-Y171 PolarHBondContact O-N 3.39Å; R168-Y171 PolarHBondContact O-N 3.25Å; Y171-L173 PolarHBondContact O-N 2.57Å; Y171-L174 PolarHBondContact O-N 2.94Å; Y171-W175 HydrophobicContact CE1-CE3 4.21Å; Y171-W175 HydrophobicContact CE2-CE3 4.37Å; Y171-W175 AromaticContact CZ-CE3 3.68Å; Y171-W175 PolarHBondContact O-N 2.71Å; Y171-W175 WeakPolarHBondContact OH-CZ3 3.4Å
172L65.2Low58.3Low110 Ų110112.8 Ų112.858%0.57657%0.567SS**Hα-helixtrans-64.3-28.8-179.8-69.6173.3000112.7R168 K169 P176R168-L172 PolarHBondContact O-N 3.42Å; K169-L172 PolarHBondContact O-N 3.4Å; L172-P176 WeakPolarHBondContact O-CD 3.5Å
173L67.6Low57.1Low142 Ų142120.3 Ų120.374%0.74359%0.585SS**Hα-helixtrans-72-32.7177.3-131.9109.6000112.7K169 R170 Y171K169-L173 PolarHBondContact O-N 3.33Å; R170-L173 PolarHBondContact O-N 2.94Å; Y171-L173 PolarHBondContact O-N 2.57Å
174L61.4Low55.9Low74 Ų74120.8 Ų120.839%0.38759%0.592SS.*Hα-helixtrans-91.6-22.3-178-66.8172.9000113.2R170 Y171 P176 M177 T178R170-L174 PolarHBondContact O-N 3.27Å; Y171-L174 PolarHBondContact O-N 2.94Å; L174-P176 VanDerWaalsContact C-CD 3.43Å; L174-M177 HydrophobicContact CD2-CE 3.69Å; L174-M177 WeakPolarHBondContact O-CB 3.23Å; L174-M177 PolarHBondContact O-N 2.81Å; L174-T178 PolarHBondContact O-N 2.96Å
175W56.2Low55.1Low97 Ų97121.7 Ų121.737%0.36759%0.594SS.*Hα-helixtrans-49.9-42.6-179.3172.8-93.7000115.1Y171 M177 T178 R179Y171-W175 HydrophobicContact CE1-CE3 4.21Å; Y171-W175 HydrophobicContact CE2-CE3 4.37Å; Y171-W175 AromaticContact CZ-CE3 3.68Å; Y171-W175 PolarHBondContact O-N 2.71Å; Y171-W175 WeakPolarHBondContact OH-CZ3 3.4Å; W175-M177 VanDerWaalsContact C-N 3.31Å; W175-M177 PolarHBondContact O-N 2.77Å; W175-T178 PolarHBondContact O-N 2.97Å; W175-T178 PolarHBondContact O-OG1 3.06Å; W175-R179 PolarHBondContact O-N 2.78Å
176P63.8Low53.9Low71 Ų71123 Ų12346%0.46159%0.594SS.*Hα-helixtrans-64.3-36.8178.5-21.133.4000112.5L172 L174 R179 L180L172-P176 WeakPolarHBondContact O-CD 3.5Å; L174-P176 VanDerWaalsContact C-CD 3.43Å; P176-R179 PolarHBondContact O-N 3.35Å; P176-L180 PolarHBondContact O-N 2.93Å; P176-L180 VanDerWaalsContact O-N 3.08Å
177M54.4Low52.8Low112 Ų112119.4 Ų119.455%0.55257%0.566SS**Hα-helixtrans-68.3-38.7178.1-74.8-154.6-77.900111.6L174 W175 L180 M181L174-M177 HydrophobicContact CD2-CE 3.69Å; L174-M177 WeakPolarHBondContact O-CB 3.23Å; L174-M177 PolarHBondContact O-N 2.81Å; W175-M177 VanDerWaalsContact C-N 3.31Å; W175-M177 PolarHBondContact O-N 2.77Å; M177-L180 PolarHBondContact O-N 2.95Å; M177-M181 WeakPolarHBondContact O-CG 3.33Å; M177-M181 PolarHBondContact O-N 2.98Å
178T53.2Low51.2Low56 Ų56117.8 Ų117.834%0.34456%0.561SS.*Hα-helixtrans-67.3-38.8175.9580000111.4L174 W175 L180 M181 E182L174-T178 PolarHBondContact O-N 2.96Å; W175-T178 PolarHBondContact O-N 2.97Å; W175-T178 PolarHBondContact O-OG1 3.06Å; T178-L180 VanDerWaalsContact C-N 3.34Å; T178-L180 PolarHBondContact O-N 3.1Å; T178-M181 CarbonylContact O-C 3.52Å; T178-M181 PolarHBondContact O-N 3.06Å; T178-M181 VanDerWaalsContact O-N 3.09Å; T178-E182 PolarHBondContact O-N 3.34Å
179R51.1Low49.8Very low162 Ų162115.9 Ų115.961%0.61156%0.561SS**Hα-helixtrans-67.1-32.3178.3-146.1-176-154.3-166.85.6113.5W175 P176 M181W175-R179 PolarHBondContact O-N 2.78Å; P176-R179 PolarHBondContact O-N 3.35Å; R179-M181 VanDerWaalsContact C-N 3.29Å
180L51.8Low48.2Very low132 Ų132113.1 Ų113.169%0.69155%0.554SS**Hα-helixtrans-67.4-30.3172.2-101.9141.8000112.2P176 M177 T178P176-L180 PolarHBondContact O-N 2.93Å; P176-L180 VanDerWaalsContact O-N 3.08Å; M177-L180 PolarHBondContact O-N 2.95Å; T178-L180 VanDerWaalsContact C-N 3.34Å; T178-L180 PolarHBondContact O-N 3.1Å
181M46.7Very low46.7Very low119 Ų119109.3 Ų109.359%0.58654%0.544SS*.Hα-helixtrans-89.9-13.6179.7-64.9-170.4-177.900114M177 T178 R179 R183M177-M181 WeakPolarHBondContact O-CG 3.33Å; M177-M181 PolarHBondContact O-N 2.98Å; T178-M181 CarbonylContact O-C 3.52Å; T178-M181 PolarHBondContact O-N 3.06Å; T178-M181 VanDerWaalsContact O-N 3.09Å; R179-M181 VanDerWaalsContact C-N 3.29Å; M181-R183 PolarHBondContact O-N 2.91Å
182E41.4Very low45.5Very low135 Ų135106.7 Ų106.763%0.63154%0.54SS*.THydrogen-bonded Turntrans-74.9-2.8169.7-85.9-178.4174.700113.7T178 S184T178-E182 PolarHBondContact O-N 3.34Å; E182-S184 PolarHBondContact O-N 2.83Å
183R31.1Very low44.3Very low209 Ų209106.9 Ų106.979%0.78954%0.542SS*.SBendtrans-62.590.4158.1-76.8-168.8179.4-155.11.4106.3M181 V185M181-R183 PolarHBondContact O-N 2.91Å; R183-V185 PolarHBondContact O-N 2.72Å
184S32.9Very low43.3Very low87 Ų87104.7 Ų104.761%0.60853%0.528SS*.  trans-47.3115.5169.113.30000104.7E182 I186E182-S184 PolarHBondContact O-N 2.83Å; S184-I186 PolarHBondContact O-N 2.89Å
185V39Very low42.8Very low118 Ų118101.6 Ų101.672%0.71551%0.512SS*.  trans-63.482.2154.7176.60000102.6R183 T187R183-V185 PolarHBondContact O-N 2.72Å; V185-T187 HydrophobicContact CG1-CG2 3.66Å; V185-T187 PolarHBondContact O-N 3.3Å
186I33.4Very low42.9Very low121 Ų12197.3 Ų97.362%0.62150%0.497SS*.  trans-71.770166.7-51.5174.4000103.3S184 S188S184-I186 PolarHBondContact O-N 2.89Å; I186-S188 PolarHBondContact O-N 3.35Å; I186-S188 VanDerWaalsContact O-N 3.09Å
187T35.3Very low43.5Very low46 Ų4694 Ų9428%0.28248%0.476SS..  trans-70.693.1143.952.70000101.5I141 V185 E189I141-T187 HydrophobicContact CD1-CG2 3.87Å; V185-T187 HydrophobicContact CG1-CG2 3.66Å; V185-T187 PolarHBondContact O-N 3.3Å; T187-E189 PolarHBondContact O-N 3.48Å
188S31.9Very low44.9Very low37 Ų3791 Ų9126%0.25946%0.464SS..  trans-51.3141171.265.20000106.4I186 N190 E191 A192I186-S188 PolarHBondContact O-N 3.35Å; I186-S188 VanDerWaalsContact O-N 3.09Å; S188-N190 PolarHBondContact O-N 2.68Å; S188-E191 PolarHBondContact O-N 3.01Å; S188-E191 PolarHBondContact OG-N 3.17Å; S188-A192 PolarHBondContact O-N 3.1Å
189E36.1Very low46.6Very low167 Ų16788.5 Ų88.578%0.7845%0.449SS*.Hα-helixtrans-52-23.3171.7-75.7178.1156.700110.8T187 N193T187-E189 PolarHBondContact O-N 3.48Å; E189-N193 WeakPolarHBondContact O-CB 3.24Å; E189-N193 PolarHBondContact O-N 3.04Å; E189-N193 PolarHBondContact O-ND2 2.79Å
190N35.5Very low48.4Very low113 Ų11381 Ų8160%0.60442%0.421SS*.Hα-helixtrans-63.3-47.7170.3-66.5-14.8000113.3S188 N193 E194S188-N190 PolarHBondContact O-N 2.68Å; N190-N193 CarbonylContact O-C 3.54Å; N190-N193 WeakPolarHBondContact O-CB 3.18Å; N190-N193 PolarHBondContact O-N 2.79Å; N190-E194 WeakPolarHBondContact O-CB 3.28Å; N190-E194 VanDerWaalsContact O-CG 3.27Å; N190-E194 WeakPolarHBondContact O-CG 3.5Å; N190-E194 PolarHBondContact O-N 3.21Å
191E32.8Very low50.3Low100 Ų10074.7 Ų74.747%0.46739%0.388SS..Hα-helixtrans-67.1-37177.6-78.2176.2-17800112.3S188 N193 E194 C195S188-E191 PolarHBondContact O-N 3.01Å; S188-E191 PolarHBondContact OG-N 3.17Å; E191-N193 VanDerWaalsContact C-N 3.31Å; E191-E194 PolarHBondContact O-N 2.93Å; E191-E194 VanDerWaalsContact O-N 3.1Å; E191-C195 PolarHBondContact O-N 3.17Å
192A35.3Very low52.5Low32 Ų3269 Ų6926%0.26436%0.36SS..Hα-helixtrans-67.2-33.917400000111.9S188 E194S188-A192 PolarHBondContact O-N 3.1Å; A192-E194 VanDerWaalsContact C-N 3.26Å; A192-E194 PolarHBondContact O-N 3.14Å
193N40Very low55Low115 Ų11563 Ų6362%0.61533%0.333SS*.Hα-helixtrans-73.3-14.6171.1-77.4-30.6000113.4E189 N190 E191E189-N193 WeakPolarHBondContact O-CB 3.24Å; E189-N193 PolarHBondContact O-N 3.04Å; E189-N193 PolarHBondContact O-ND2 2.79Å; N190-N193 CarbonylContact O-C 3.54Å; N190-N193 WeakPolarHBondContact O-CB 3.18Å; N190-N193 PolarHBondContact O-N 2.79Å; E191-N193 VanDerWaalsContact C-N 3.31Å
194E45.8Very low57.9Low96 Ų9657.1 Ų57.145%0.44931%0.311SS..Hα-helixtrans-92.1-19.7-176.7-83.6174.7-173.300114.7L104 N190 E191 A192 A196L104-E194 HydrophobicContact CD1-CB 3.78Å; N190-E194 WeakPolarHBondContact O-CB 3.28Å; N190-E194 VanDerWaalsContact O-CG 3.27Å; N190-E194 WeakPolarHBondContact O-CG 3.5Å; N190-E194 PolarHBondContact O-N 3.21Å; E191-E194 PolarHBondContact O-N 2.93Å; E191-E194 VanDerWaalsContact O-N 3.1Å; A192-E194 VanDerWaalsContact C-N 3.26Å; A192-E194 PolarHBondContact O-N 3.14Å; E194-A196 PolarHBondContact O-N 2.85Å
195C50.7Low60.8Low9 Ų953 Ų536%0.06128%0.282CS..  trans-67.771.4169.3-90.20000110.8E191 F230E191-C195 PolarHBondContact O-N 3.17Å; C195-F230 WeakPolarHBondContact O-CE1 3.4Å; C195-F230 WeakPolarHBondContact O-CZ 3.48Å
196A59.9Low63.4Low6 Ų647.3 Ų47.35%0.0525%0.247CC..  trans-82.1147.8179.400000110E194 A200 R204E194-A196 PolarHBondContact O-N 2.85Å; A196-A200 HydrophobicContact CB-CB 3.84Å; A196-R204 VanDerWaalsContact CB-NH2 3.28Å
197S74.9Confident66.3Low2 Ų245.6 Ų45.61%0.01424%0.239CC..  trans-58153.2167.561.90000110.7A133 A199 A200 A201A133-S197 WeakPolarHBondContact O-CB 3.14Å; S197-A199 PolarHBondContact O-N 3.2Å; S197-A199 VanDerWaalsContact O-N 3.16Å; S197-A200 WeakPolarHBondContact O-CB 3.27Å; S197-A200 PolarHBondContact O-N 2.89Å; S197-A200 WeakPolarHBondContact OG-CB 3.41Å; S197-A200 PolarHBondContact OG-N 3.46Å; S197-A200 VanDerWaalsContact OG-N 3.15Å; S197-A201 PolarHBondContact O-N 3.46Å
198T85.1Confident69.1Low49 Ų4947.3 Ų47.330%0.30125%0.253SS..Hα-helixtrans-52.3-37.9173.4-50.10000110.9L66 Y103 L112 A201 A202L66-T198 HydrophobicContact CD1-CG2 3.84Å; Y103-T198 WeakPolarHBondContact OH-CG2 3.33Å; Y103-T198 PolarHBondContact OH-OG1 3.32Å; L112-T198 HydrophobicContact CD1-CG2 3.87Å; L112-T198 WeakPolarHBondContact CD1-O 3.3Å; L112-T198 HydrophobicContact CD2-CG2 4Å; L112-T198 HydrophobicContact CG-CG2 4.45Å; T198-A201 WeakPolarHBondContact O-CB 3.46Å; T198-A201 PolarHBondContact O-N 3.34Å; T198-A202 WeakPolarHBondContact O-CB 3.34Å; T198-A202 PolarHBondContact O-N 3.21Å
199A88.5Confident72Confident3 Ų347 Ų473%0.02525%0.248CC..Hα-helixtrans-62.1-44.2174.400000113.2L132 S197 A201 A202 V203 F218 L231L132-A199 HydrophobicContact CD1-CB 4.07Å; S197-A199 PolarHBondContact O-N 3.2Å; S197-A199 VanDerWaalsContact O-N 3.16Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A199-A201 PolarHBondContact O-N 2.97Å; A199-A202 WeakPolarHBondContact O-CB 3.45Å; A199-A202 PolarHBondContact O-N 3.24Å; A199-V203 WeakPolarHBondContact O-CG2 3.32Å; A199-V203 PolarHBondContact O-N 3.31Å; A199-F218 HydrophobicContact CB-CE1 3.68Å; A199-F218 HydrophobicContact CB-CZ 3.57Å; A199-L231 HydrophobicContact CB-CD2 4Å
200A89.5Confident74.8Confident4 Ų440.3 Ų40.33%0.03322%0.224CC..Hα-helixtrans-65.6-36.2175.900000112.4A196 S197 A202 V203 R204 F230 L231A196-A200 HydrophobicContact CB-CB 3.84Å; S197-A200 WeakPolarHBondContact O-CB 3.27Å; S197-A200 PolarHBondContact O-N 2.89Å; S197-A200 WeakPolarHBondContact OG-CB 3.41Å; S197-A200 PolarHBondContact OG-N 3.46Å; S197-A200 VanDerWaalsContact OG-N 3.15Å; A200-A202 VanDerWaalsContact C-N 3.34Å; A200-V203 PolarHBondContact O-N 3.25Å; A200-R204 WeakPolarHBondContact O-CG 3.48Å; A200-R204 PolarHBondContact O-N 3.44Å; A200-F230 HydrophobicContact CB-CB 3.64Å; A200-F230 WeakPolarHBondContact CB-O 3.11Å; A200-L231 HydrophobicContact CB-CD2 4.48Å
201A90Very high77.6Confident0 Ų034.9 Ų34.90%020%0.195CC..Hα-helixtrans-62-42.4171.300000111.6Y103 L112 S197 T198 A199 R204 L205Y103-A201 HydrophobicContact CD1-CB 3.53Å; Y103-A201 HydrophobicContact CD2-CB 4.1Å; Y103-A201 HydrophobicContact CE1-CB 4.21Å; Y103-A201 HydrophobicContact CG-CB 3.48Å; Y103-A201 VanDerWaalsContact CG-CB 3.48Å; L112-A201 HydrophobicContact CD1-CB 3.88Å; S197-A201 PolarHBondContact O-N 3.46Å; T198-A201 WeakPolarHBondContact O-CB 3.46Å; T198-A201 PolarHBondContact O-N 3.34Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A199-A201 PolarHBondContact O-N 2.97Å; A201-R204 PolarHBondContact O-N 3.14Å; A201-L205 WeakPolarHBondContact O-CB 3.43Å; A201-L205 PolarHBondContact O-N 2.96Å
202A92.6Very high80.6Confident0 Ų035.1 Ų35.10%020%0.196CC..Hα-helixtrans-64.1-41.4175.900000112.9L66 I88 L112 L127 T198 A199 A200 R204 L205 L206L66-A202 HydrophobicContact CD1-CB 4.29Å; L66-A202 HydrophobicContact CD2-CB 3.53Å; L66-A202 HydrophobicContact CG-CB 4.5Å; I88-A202 HydrophobicContact CD1-CB 3.84Å; L112-A202 HydrophobicContact CD1-CB 3.93Å; L127-A202 HydrophobicContact CD1-CB 4.29Å; L127-A202 HydrophobicContact CD2-CB 4.19Å; T198-A202 WeakPolarHBondContact O-CB 3.34Å; T198-A202 PolarHBondContact O-N 3.21Å; A199-A202 WeakPolarHBondContact O-CB 3.45Å; A199-A202 PolarHBondContact O-N 3.24Å; A200-A202 VanDerWaalsContact C-N 3.34Å; A202-R204 VanDerWaalsContact C-N 3.34Å; A202-R204 PolarHBondContact O-N 2.91Å; A202-L205 WeakPolarHBondContact O-CB 3.11Å; A202-L205 PolarHBondContact O-N 3.12Å; A202-L206 WeakPolarHBondContact O-CG 3.39Å; A202-L206 PolarHBondContact O-N 2.99Å
203V93.9Very high83.5Confident8 Ų834.3 Ų34.35%0.04819%0.188CC..Hα-helixtrans-59.7-45.9173.6172.60000110.5L127 A199 A200 L205 L206 N207 V213 L231 T234L127-V203 HydrophobicContact CD2-CG2 3.94Å; A199-V203 WeakPolarHBondContact O-CG2 3.32Å; A199-V203 PolarHBondContact O-N 3.31Å; A200-V203 PolarHBondContact O-N 3.25Å; V203-L205 VanDerWaalsContact C-N 3.33Å; V203-L205 PolarHBondContact O-N 2.66Å; V203-L206 PolarHBondContact O-N 2.92Å; V203-N207 WeakPolarHBondContact O-CB 3.42Å; V203-N207 PolarHBondContact O-N 3.33Å; V203-N207 PolarHBondContact O-ND2 3.5Å; V203-V213 HydrophobicContact CB-CG2 4.44Å; V203-V213 HydrophobicContact CG1-CG2 4.42Å; V203-V213 HydrophobicContact CG2-CB 4.46Å; V203-V213 HydrophobicContact CG2-CG2 4.06Å; V203-L231 HydrophobicContact CG2-CD2 4.21Å; V203-T234 WeakPolarHBondContact CG1-OG1 3.38Å; V203-T234 HydrophobicContact CG2-CG2 4.3Å
204R92.3Very high86.1Confident86 Ų8630 Ų3033%0.32517%0.168SC..Hα-helixtrans-61.6-40.7176.6-72.7-174.9-67.9-1791.3112.2A196 A200 A201 A202 N207 S208A196-R204 VanDerWaalsContact CB-NH2 3.28Å; A200-R204 WeakPolarHBondContact O-CG 3.48Å; A200-R204 PolarHBondContact O-N 3.44Å; A201-R204 PolarHBondContact O-N 3.14Å; A202-R204 VanDerWaalsContact C-N 3.34Å; A202-R204 PolarHBondContact O-N 2.91Å; R204-N207 PolarHBondContact O-N 3.31Å; R204-S208 PolarHBondContact O-N 2.89Å
205L93.5Very high88.4Confident0 Ų026.6 Ų26.60%015%0.151CC..Hα-helixtrans-62.2-46.9176.6177.955.5000112I88 A99 A101 L112 V114 A201 A202 V203 S208I88-L205 HydrophobicContact CD1-CD2 4.47Å; I88-L205 HydrophobicContact CG2-CD2 4.26Å; A99-L205 HydrophobicContact CB-CD1 3.93Å; A101-L205 HydrophobicContact CB-CB 3.69Å; A101-L205 HydrophobicContact CB-CD1 4.02Å; A101-L205 HydrophobicContact CB-CG 4.31Å; L112-L205 HydrophobicContact CB-CD2 3.88Å; V114-L205 HydrophobicContact CB-CD2 4.16Å; V114-L205 HydrophobicContact CG1-CD1 4.06Å; V114-L205 HydrophobicContact CG1-CD2 3.92Å; V114-L205 HydrophobicContact CG1-CG 3.84Å; A201-L205 WeakPolarHBondContact O-CB 3.43Å; A201-L205 PolarHBondContact O-N 2.96Å; A202-L205 WeakPolarHBondContact O-CB 3.11Å; A202-L205 PolarHBondContact O-N 3.12Å; V203-L205 VanDerWaalsContact C-N 3.33Å; V203-L205 PolarHBondContact O-N 2.66Å; L205-S208 PolarHBondContact O-N 3.27Å; L205-S208 PolarHBondContact O-OG 3.32Å
206L94.6Very high90.6Very high0 Ų026.1 Ų26.10%015%0.148CC..Hα-helixtrans-65.4-42.5179.3-68.8166000110.8V64 I88 L119 V125 A202 V203 S208 I209 G210 V211 V213V64-L206 HydrophobicContact CG1-CD1 4.25Å; V64-L206 HydrophobicContact CG1-CD2 4.43Å; V64-L206 HydrophobicContact CG2-CD2 4.24Å; I88-L206 HydrophobicContact CD1-CD1 4.16Å; I88-L206 HydrophobicContact CD1-CD2 4.29Å; I88-L206 HydrophobicContact CD1-CG 4.14Å; L119-L206 HydrophobicContact CD1-CD2 3.76Å; V125-L206 HydrophobicContact CG2-CD1 3.91Å; A202-L206 WeakPolarHBondContact O-CG 3.39Å; A202-L206 PolarHBondContact O-N 2.99Å; V203-L206 PolarHBondContact O-N 2.92Å; L206-S208 VanDerWaalsContact C-N 3.27Å; L206-S208 PolarHBondContact O-N 3.24Å; L206-I209 WeakPolarHBondContact O-CG1 3.29Å; L206-I209 PolarHBondContact O-N 3.07Å; L206-G210 PolarHBondContact O-N 3.49Å; L206-V211 CarbonylContact C-O 3.14Å; L206-V211 HydrophobicContact CB-CB 4.26Å; L206-V211 HydrophobicContact CB-CG1 4.3Å; L206-V211 HydrophobicContact CD2-CG1 4.25Å; L206-V211 WeakPolarHBondContact O-CB 3.39Å; L206-V211 PolarHBondContact O-N 2.82Å; L206-V213 HydrophobicContact CB-CG2 4.23Å; L206-V213 HydrophobicContact CD1-CG2 3.51Å
207N94.2Very high92.2Very high84 Ų8425.9 Ų25.945%0.44915%0.146SC..Hα-helixtrans-62.9-33.2176.6-69.5-14.1000112.5V203 R204 I209 G210 V211V203-N207 WeakPolarHBondContact O-CB 3.42Å; V203-N207 PolarHBondContact O-N 3.33Å; V203-N207 PolarHBondContact O-ND2 3.5Å; R204-N207 PolarHBondContact O-N 3.31Å; N207-I209 PolarHBondContact O-N 2.94Å; N207-G210 PolarHBondContact O-N 3.18Å; N207-G210 VanDerWaalsContact O-N 3.09Å; N207-V211 VanDerWaalsContact CA-O 3.32Å; N207-V211 WeakPolarHBondContact CA-O 3.3Å; N207-V211 PolarHBondContact N-O 2.79Å; N207-V211 PolarHBondContact OD1-O 3.47Å; N207-V211 VanDerWaalsContact OD1-O 3.08Å
208S93.2Very high93.1Very high82 Ų8225.8 Ų25.857%0.57315%0.146SC*.Hα-helixtrans-69.7-20.9-179.976.90000113.6R204 L205 L206R204-S208 PolarHBondContact O-N 2.89Å; L205-S208 PolarHBondContact O-N 3.27Å; L205-S208 PolarHBondContact O-OG 3.32Å; L206-S208 VanDerWaalsContact C-N 3.27Å; L206-S208 PolarHBondContact O-N 3.24Å
209I93.7Very high93.4Very high31 Ų3123.5 Ų23.516%0.15913%0.131CC..THydrogen-bonded Turntrans-99.915.8172.363.6167.3000112.7A99 V114 L206 N207 V211A99-I209 HydrophobicContact CB-CG2 3.38Å; V114-I209 HydrophobicContact CG1-CD1 3.93Å; L206-I209 WeakPolarHBondContact O-CG1 3.29Å; L206-I209 PolarHBondContact O-N 3.07Å; N207-I209 PolarHBondContact O-N 2.94Å; I209-V211 VanDerWaalsContact C-N 3.29Å; I209-V211 HydrophobicContact CD1-CG2 3.99Å; I209-V211 HydrophobicContact CG1-CB 4.28Å; I209-V211 HydrophobicContact CG1-CG2 3.94Å; I209-V211 PolarHBondContact O-N 3.08Å
210G93.9Very high93.6Very high26 Ų2623.5 Ų23.527%0.26813%0.131SC..THydrogen-bonded Turntrans7317.5177.100000114.6G122 L206 N207G122-G210 PolarHBondContact N-O 3.35Å; L206-G210 PolarHBondContact O-N 3.49Å; N207-G210 PolarHBondContact O-N 3.18Å; N207-G210 VanDerWaalsContact O-N 3.09Å
211V95.7Very high93.7Very high0 Ų023.5 Ų23.50%013%0.131CC..  trans-97.3137.3174.5174.40000109.5L119 V125 L206 N207 I209L119-V211 HydrophobicContact CB-CG2 3.63Å; L119-V211 HydrophobicContact CD1-CG1 4.17Å; L119-V211 HydrophobicContact CD1-CG2 4.03Å; L119-V211 HydrophobicContact CG-CG2 4.41Å; V125-V211 HydrophobicContact CB-CG1 4.26Å; V125-V211 HydrophobicContact CG1-CG1 3.59Å; V125-V211 HydrophobicContact CG2-CG1 3.69Å; L206-V211 CarbonylContact C-O 3.14Å; L206-V211 HydrophobicContact CB-CB 4.26Å; L206-V211 HydrophobicContact CB-CG1 4.3Å; L206-V211 HydrophobicContact CD2-CG1 4.25Å; L206-V211 WeakPolarHBondContact O-CB 3.39Å; L206-V211 PolarHBondContact O-N 2.82Å; N207-V211 VanDerWaalsContact CA-O 3.32Å; N207-V211 WeakPolarHBondContact CA-O 3.3Å; N207-V211 PolarHBondContact N-O 2.79Å; N207-V211 PolarHBondContact OD1-O 3.47Å; N207-V211 VanDerWaalsContact OD1-O 3.08Å; I209-V211 VanDerWaalsContact C-N 3.29Å; I209-V211 HydrophobicContact CD1-CG2 3.99Å; I209-V211 HydrophobicContact CG1-CB 4.28Å; I209-V211 HydrophobicContact CG1-CG2 3.94Å; I209-V211 PolarHBondContact O-N 3.08Å
212Q94.9Very high93.7Very high105 Ų10524.6 Ų24.649%0.49114%0.137SC..EExtended strand (participates in β ladder)trans-104.2133.6177.7-63.3-177.421.100111.2S123 F124 V125 A214S123-Q212 PolarHBondContact O-N 3.33Å; F124-Q212 CarbonylContact C-O 3.52Å; F124-Q212 WeakPolarHBondContact CA-O 2.81Å; F124-Q212 HydrophobicContact CD1-CB 4.02Å; F124-Q212 HydrophobicContact CE1-CB 4.01Å; F124-Q212 VanDerWaalsContact CE1-OE1 3.25Å; V125-Q212 PolarHBondContact N-O 2.81Å; Q212-A214 PolarHBondContact O-N 3.09Å
213V95.7Very high93.5Very high14 Ų1426.9 Ų26.99%0.08515%0.149CC..EExtended strand (participates in β ladder)trans-78.7105.2170.3-178.50000108.5V125 L127 V203 L206 Y215 A216 T234V125-V213 HydrophobicContact CG2-CG2 4.19Å; L127-V213 HydrophobicContact CB-CG1 3.74Å; V203-V213 HydrophobicContact CB-CG2 4.44Å; V203-V213 HydrophobicContact CG1-CG2 4.42Å; V203-V213 HydrophobicContact CG2-CB 4.46Å; V203-V213 HydrophobicContact CG2-CG2 4.06Å; L206-V213 HydrophobicContact CB-CG2 4.23Å; L206-V213 HydrophobicContact CD1-CG2 3.51Å; V213-Y215 VanDerWaalsContact C-N 3.29Å; V213-Y215 WeakPolarHBondContact CG1-O 3.47Å; V213-A216 HydrophobicContact CG1-CB 4.42Å; V213-T234 HydrophobicContact CB-CG2 3.87Å; V213-T234 HydrophobicContact CG1-CG2 3.62Å
214A95Very high92.9Very high24 Ų2430.1 Ų30.120%0.19816%0.16CC..EExtended strand (participates in β ladder)trans-66.9-35.7178.300000111.6F124 V125 Q212 P235F124-A214 HydrophobicContact CB-CB 4.17Å; F124-A214 HydrophobicContact CD1-CB 4.15Å; V125-A214 PolarHBondContact O-N 3.24Å; Q212-A214 PolarHBondContact O-N 3.09Å; A214-P235 WeakPolarHBondContact O-CG 3.23Å
215Y95.2Very high92.4Very high25 Ų2527.4 Ų27.410%0.09815%0.152CC..EExtended strand (participates in β ladder)trans-163.1145178.3-141.6-84.4000110.1R56 C57 L127 V213 F217 P235 Y236 L237R56-Y215 HydrophobicContact CB-CD2 4.03Å; R56-Y215 HydrophobicContact CB-CE2 3.79Å; R56-Y215 HydrophobicContact CG-CE2 4.35Å; R56-Y215 PolarHBondContact NH1-OH 2.97Å; R56-Y215 VanDerWaalsContact NH1-OH 3.08Å; C57-Y215 WeakPolarHBondContact SG-CB 3.35Å; L127-Y215 PolarHBondContact N-O 3.44Å; V213-Y215 VanDerWaalsContact C-N 3.29Å; V213-Y215 WeakPolarHBondContact CG1-O 3.47Å; Y215-F217 AromaticContact CD1-CD2 3.57Å; Y215-F217 HydrophobicContact CD1-CD2 3.57Å; Y215-F217 AromaticContact CD1-CE2 3.2Å; Y215-F217 HydrophobicContact CD1-CE2 3.2Å; Y215-F217 AromaticContact CD1-CZ 3.99Å; Y215-F217 HydrophobicContact CD1-CZ 3.99Å; Y215-F217 HydrophobicContact CE1-CD2 4.33Å; Y215-F217 AromaticContact CE1-CE2 3.86Å; Y215-F217 HydrophobicContact CE1-CE2 3.86Å; Y215-F217 HydrophobicContact CE1-CZ 4.23Å; Y215-F217 HydrophobicContact CG-CD2 4.38Å; Y215-F217 AromaticContact CG-CE2 3.83Å; Y215-F217 HydrophobicContact CG-CE2 3.83Å; Y215-P235 CarbonylContact C-O 3.6Å; Y215-P235 WeakPolarHBondContact CA-O 3.29Å; Y215-P235 HydrophobicContact CD2-CB 3.75Å; Y215-P235 HydrophobicContact CD2-CG 3.76Å; Y215-P235 HydrophobicContact CE2-CB 3.61Å; Y215-P235 HydrophobicContact CE2-CG 4.15Å; Y215-P235 HydrophobicContact CG-CB 4.46Å; Y215-P235 HydrophobicContact CG-CG 4.35Å; Y215-Y236 VanDerWaalsContact CE1-CA 3.47Å; Y215-Y236 WeakPolarHBondContact CE1-O 3.25Å; Y215-Y236 PolarHBondContact OH-O 3.26Å; Y215-L237 HydrophobicContact CE1-CB 3.67Å
216A95.3Very high91.9Very high0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-109.8125.5173.600000110.8L127 V213 F218 P235 Y236 L237L127-A216 HydrophobicContact CB-CB 4.24Å; L127-A216 HydrophobicContact CD2-CB 4.34Å; L127-A216 CarbonylContact O-C 3.55Å; L127-A216 WeakPolarHBondContact O-CA 3.3Å; V213-A216 HydrophobicContact CG1-CB 4.42Å; A216-F218 HydrophobicContact CB-CE2 3.76Å; A216-F218 HydrophobicContact CB-CZ 3.96Å; A216-P235 PolarHBondContact N-O 3.39Å; A216-Y236 CarbonylContact O-C 3.48Å; A216-Y236 WeakPolarHBondContact O-CA 3.43Å; A216-Y236 VanDerWaalsContact O-CB 3.29Å; A216-Y236 WeakPolarHBondContact O-CB 3.31Å; A216-L237 PolarHBondContact O-N 3.25Å
217F93.8Very high91.3Very high1 Ų132.4 Ų32.40%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-110.3136.2178.6-82.7-108.2000110.5L49 E52 L126 L127 F128 D129 Y215 L237L49-F217 HydrophobicContact CD2-CD1 3.68Å; L49-F217 HydrophobicContact CD2-CE1 4.34Å; E52-F217 HydrophobicContact CB-CE1 3.76Å; E52-F217 HydrophobicContact CB-CZ 4.02Å; L126-F217 HydrophobicContact CD1-CD2 3.32Å; L126-F217 HydrophobicContact CD1-CE2 3.47Å; L126-F217 VanDerWaalsContact CD1-CE2 3.47Å; L126-F217 HydrophobicContact CD1-CG 4.4Å; L126-F217 HydrophobicContact CG-CD2 4.23Å; L127-F217 PolarHBondContact O-N 3.03Å; F128-F217 WeakPolarHBondContact CA-O 3.34Å; F128-F217 HydrophobicContact CD2-CB 3.84Å; F128-F217 HydrophobicContact CE2-CB 4.4Å; D129-F217 PolarHBondContact N-O 3.09Å; D129-F217 VanDerWaalsContact N-O 3.08Å; Y215-F217 AromaticContact CD1-CD2 3.57Å; Y215-F217 HydrophobicContact CD1-CD2 3.57Å; Y215-F217 AromaticContact CD1-CE2 3.2Å; Y215-F217 HydrophobicContact CD1-CE2 3.2Å; Y215-F217 AromaticContact CD1-CZ 3.99Å; Y215-F217 HydrophobicContact CD1-CZ 3.99Å; Y215-F217 HydrophobicContact CE1-CD2 4.33Å; Y215-F217 AromaticContact CE1-CE2 3.86Å; Y215-F217 HydrophobicContact CE1-CE2 3.86Å; Y215-F217 HydrophobicContact CE1-CZ 4.23Å; Y215-F217 HydrophobicContact CG-CD2 4.38Å; Y215-F217 AromaticContact CG-CE2 3.83Å; Y215-F217 HydrophobicContact CG-CE2 3.83Å; F217-L237 WeakPolarHBondContact CA-O 3.44Å; F217-L237 HydrophobicContact CD1-CB 4.2Å; F217-L237 HydrophobicContact CD1-CD2 3.94Å; F217-L237 HydrophobicContact CD1-CG 4.5Å; F217-L237 HydrophobicContact CE1-CB 4.16Å; F217-L237 HydrophobicContact CE1-CD2 3.46Å; F217-L237 VanDerWaalsContact CE1-CD2 3.46Å; F217-L237 HydrophobicContact CE1-CG 4.37Å; F217-L237 HydrophobicContact CZ-CD2 4.24Å
218F94.1Very high91Very high0 Ų029.4 Ų29.40%016%0.163CC..EExtended strand (participates in β ladder)trans-127.8135.9175.7-54.9-80.5000109.5D129 L132 A199 A216 L231 Y236 L237 S238 L239D129-F218 HydrophobicContact CB-CD1 3.9Å; D129-F218 HydrophobicContact CB-CE1 3.89Å; D129-F218 WeakPolarHBondContact O-CA 3.43Å; L132-F218 HydrophobicContact CB-CB 4.04Å; L132-F218 HydrophobicContact CB-CD1 3.67Å; L132-F218 HydrophobicContact CB-CD2 3.87Å; L132-F218 HydrophobicContact CB-CE1 4.06Å; L132-F218 HydrophobicContact CB-CE2 4.24Å; L132-F218 HydrophobicContact CB-CG 3.57Å; L132-F218 HydrophobicContact CB-CZ 4.33Å; L132-F218 HydrophobicContact CD1-CE1 4.01Å; L132-F218 HydrophobicContact CD1-CE2 4.17Å; L132-F218 HydrophobicContact CD1-CZ 3.84Å; L132-F218 HydrophobicContact CD2-CD2 3.88Å; L132-F218 HydrophobicContact CD2-CE2 3.82Å; L132-F218 HydrophobicContact CD2-CG 4.46Å; L132-F218 HydrophobicContact CD2-CZ 4.34Å; L132-F218 HydrophobicContact CG-CD2 4.35Å; L132-F218 HydrophobicContact CG-CE2 4.3Å; L132-F218 HydrophobicContact CG-CG 4.48Å; L132-F218 HydrophobicContact CG-CZ 4.39Å; A199-F218 HydrophobicContact CB-CE1 3.68Å; A199-F218 HydrophobicContact CB-CZ 3.57Å; A216-F218 HydrophobicContact CB-CE2 3.76Å; A216-F218 HydrophobicContact CB-CZ 3.96Å; F218-L231 HydrophobicContact CE2-CD1 4.04Å; F218-L231 HydrophobicContact CZ-CD1 4.41Å; F218-Y236 HydrophobicContact CD2-CD2 4.21Å; F218-Y236 HydrophobicContact CE2-CD2 4.31Å; F218-L237 PolarHBondContact N-O 2.8Å; F218-S238 WeakPolarHBondContact O-CA 3.34Å; F218-L239 PolarHBondContact O-N 3.49Å
219L92.1Very high90.7Very high0 Ų030.5 Ų30.50%016%0.158CC..EExtended strand (participates in β ladder)trans-68.2-41.8173.6178.457.1000110.1L12 L32 I35 L45 F73 F128 D129 D130 L239 L240L12-L219 HydrophobicContact CD1-CD1 4.42Å; L32-L219 HydrophobicContact CB-CD2 4.31Å; L32-L219 HydrophobicContact CD1-CB 4.46Å; L32-L219 HydrophobicContact CD1-CD2 3.86Å; L32-L219 HydrophobicContact CD1-CG 4.17Å; I35-L219 HydrophobicContact CD1-CD2 3.95Å; L45-L219 HydrophobicContact CD1-CD1 3.79Å; L45-L219 HydrophobicContact CD2-CD1 3.89Å; L45-L219 HydrophobicContact CD2-CD2 4.35Å; F73-L219 HydrophobicContact CE1-CD2 3.96Å; F73-L219 HydrophobicContact CE2-CD2 4.04Å; F73-L219 HydrophobicContact CZ-CD2 3.54Å; F128-L219 HydrophobicContact CZ-CB 4.35Å; D129-L219 PolarHBondContact O-N 3.23Å; D130-L219 WeakPolarHBondContact O-CB 3.12Å; D130-L219 PolarHBondContact O-N 2.69Å; L219-L239 HydrophobicContact CD1-CD1 4.19Å; L219-L240 HydrophobicContact CD1-CD1 4.43Å; L219-L240 WeakPolarHBondContact O-CB 3.48Å; L219-L240 VanDerWaalsContact O-CG 3.28Å; L219-L240 WeakPolarHBondContact O-CG 3.49Å; L219-L240 PolarHBondContact O-N 3.35Å
220A92.5Very high90.3Very high3 Ų330.1 Ų30.13%0.02516%0.156CC..EExtended strand (participates in β ladder)trans-133.7154.3175.400000112.8L32 D130 V131 L132 L240 F242L32-A220 HydrophobicContact CD1-CB 4.37Å; D130-A220 PolarHBondContact O-N 3.28Å; V131-A220 CarbonylContact C-O 3.6Å; V131-A220 VanDerWaalsContact CA-O 3.29Å; V131-A220 WeakPolarHBondContact CA-O 3.02Å; V131-A220 HydrophobicContact CG2-CB 4.36Å; L132-A220 PolarHBondContact N-O 3Å; A220-L240 CarbonylContact C-O 3.12Å; A220-L240 VanDerWaalsContact CA-O 3.27Å; A220-L240 WeakPolarHBondContact CA-O 3.23Å; A220-L240 HydrophobicContact CB-CB 4.14Å; A220-F242 HydrophobicContact CB-CD2 4.25Å; A220-F242 HydrophobicContact CB-CE2 3.84Å
221E92.3Very high90Very high4 Ų429.1 Ų29.12%0.01914%0.144CC..EExtended strand (participates in β ladder)trans-131.6132.7171.2176.1176.3-166.800110.4L132 L223 Y236 S238 L240 F242L132-E221 HydrophobicContact CB-CB 4.18Å; L132-E221 HydrophobicContact CB-CG 4.19Å; L132-E221 HydrophobicContact CD2-CG 4.16Å; L132-E221 HydrophobicContact CG-CG 4.34Å; L132-E221 WeakPolarHBondContact O-CA 3.47Å; E221-L223 HydrophobicContact CG-CD2 3.89Å; E221-Y236 WeakPolarHBondContact OE2-CE2 3.36Å; E221-S238 VanDerWaalsContact CB-CB 3.45Å; E221-S238 VanDerWaalsContact CB-OG 3.31Å; E221-S238 WeakPolarHBondContact CB-OG 3.5Å; E221-S238 VanDerWaalsContact OE2-CB 3.24Å; E221-S238 WeakPolarHBondContact OE2-CB 3.14Å; E221-S238 PolarHBondContact OE2-OG 3.48Å; E221-L240 PolarHBondContact N-O 2.79Å; E221-F242 PolarHBondContact O-N 2.85Å
222L89.1Confident89.4Confident24 Ų2437.5 Ų37.513%0.12618%0.181CC..EExtended strand (participates in β ladder)trans-92.995.5172.7-57.7-179.3000108V131 L132 A133 Y224 L225 F242V131-L222 HydrophobicContact CG1-CD1 4.26Å; V131-L222 HydrophobicContact CG1-CG 4.11Å; L132-L222 PolarHBondContact O-N 2.76Å; A133-L222 HydrophobicContact CB-CD1 4.26Å; L222-Y224 VanDerWaalsContact C-N 3.31Å; L222-Y224 HydrophobicContact CB-CD1 4.29Å; L222-Y224 HydrophobicContact CB-CE1 3.82Å; L222-Y224 HydrophobicContact CD2-CE1 4.15Å; L222-Y224 HydrophobicContact CG-CE1 4.37Å; L222-Y224 PolarHBondContact O-N 3.25Å; L222-L225 HydrophobicContact CB-CB 4.29Å; L222-L225 HydrophobicContact CB-CD1 3.88Å; L222-L225 HydrophobicContact CB-CG 4.08Å; L222-L225 HydrophobicContact CD1-CD1 3.74Å; L222-L225 HydrophobicContact CG-CD1 4.44Å; L222-L225 WeakPolarHBondContact O-CB 3.4Å; L222-L225 PolarHBondContact O-N 3.05Å; L222-F242 HydrophobicContact CD2-CB 4.06Å; L222-F242 HydrophobicContact CD2-CD2 4.31Å
223L88Confident89Confident48 Ų4836.2 Ų36.225%0.25120%0.196SC..G310 helixtrans-63.6-35.9-171-68.4177.3000112.6E221 L225 Q226 Q241 F242 D243E221-L223 HydrophobicContact CG-CD2 3.89Å; L223-L225 PolarHBondContact O-N 3.29Å; L223-L225 VanDerWaalsContact O-N 3.1Å; L223-Q226 PolarHBondContact O-N 2.9Å; L223-Q241 HydrophobicContact CD1-CB 3.8Å; L223-Q241 HydrophobicContact CD1-CG 4.38Å; L223-Q241 HydrophobicContact CD2-CG 4.37Å; L223-Q241 HydrophobicContact CG-CB 4.15Å; L223-Q241 HydrophobicContact CG-CG 4.5Å; L223-F242 PolarHBondContact N-O 2.89Å; L223-D243 WeakPolarHBondContact CD1-OD1 3.33Å
224Y80.8Confident88.8Confident76 Ų7636.7 Ų36.730%0.29820%0.199SC..G310 helixtrans-61.8-19.1176.766.2-91.7000113.4L222 S244L222-Y224 VanDerWaalsContact C-N 3.31Å; L222-Y224 HydrophobicContact CB-CD1 4.29Å; L222-Y224 HydrophobicContact CB-CE1 3.82Å; L222-Y224 HydrophobicContact CD2-CE1 4.15Å; L222-Y224 HydrophobicContact CG-CE1 4.37Å; L222-Y224 PolarHBondContact O-N 3.25Å; Y224-S244 VanDerWaalsContact CE1-C 3.44Å; Y224-S244 WeakPolarHBondContact CE1-OXT 3.4Å
225L82Confident88.8Confident28 Ų2838.3 Ų38.315%0.14721%0.207CC..G310 helixtrans-83.9-22.5175.2-71-173.9000112.5A133 T134 L222 L223A133-L225 HydrophobicContact CB-CD1 3.61Å; T134-L225 WeakPolarHBondContact CB-O 3.22Å; T134-L225 HydrophobicContact CG2-CB 4.37Å; T134-L225 WeakPolarHBondContact CG2-O 3.11Å; T134-L225 VanDerWaalsContact OG1-CB 3.23Å; T134-L225 WeakPolarHBondContact OG1-CB 3.25Å; T134-L225 PolarHBondContact OG1-O 2.83Å; L222-L225 HydrophobicContact CB-CB 4.29Å; L222-L225 HydrophobicContact CB-CD1 3.88Å; L222-L225 HydrophobicContact CB-CG 4.08Å; L222-L225 HydrophobicContact CD1-CD1 3.74Å; L222-L225 HydrophobicContact CG-CD1 4.44Å; L222-L225 WeakPolarHBondContact O-CB 3.4Å; L222-L225 PolarHBondContact O-N 3.05Å; L223-L225 PolarHBondContact O-N 3.29Å; L223-L225 VanDerWaalsContact O-N 3.1Å
226Q83.8Confident88.8Confident105 Ų10541 Ų4149%0.49122%0.218SC..THydrogen-bonded Turntrans60.941.1-179.2-54.2-179.11.200113.9L223 A228 Q229L223-Q226 PolarHBondContact O-N 2.9Å; Q226-A228 VanDerWaalsContact C-N 3.28Å; Q226-A228 PolarHBondContact O-N 3.33Å; Q226-Q229 VanDerWaalsContact O-CG 3.3Å; Q226-Q229 WeakPolarHBondContact O-CG 3.32Å; Q226-Q229 PolarHBondContact O-N 2.75Å
227G82.8Confident88.6Confident0 Ų042.2 Ų42.20%022%0.224CC..G310 helixtrans-60.2-35.2-177.900000114.3Q229 F230G227-Q229 VanDerWaalsContact C-N 3.29Å; G227-Q229 PolarHBondContact O-N 3.26Å; G227-F230 PolarHBondContact O-N 3.34Å
228A86.9Confident88.5Confident22 Ų2242.7 Ų42.718%0.18223%0.228CC..G310 helixtrans-62.2-30.3-175.400000114.5L132 Q226 F230 L231 Y236L132-A228 HydrophobicContact CD2-CB 4.2Å; Q226-A228 VanDerWaalsContact C-N 3.28Å; Q226-A228 PolarHBondContact O-N 3.33Å; A228-F230 PolarHBondContact O-N 2.74Å; A228-F230 VanDerWaalsContact O-N 3.1Å; A228-L231 WeakPolarHBondContact O-CB 3.44Å; A228-L231 PolarHBondContact O-N 2.71Å; A228-Y236 HydrophobicContact CB-CE1 3.71Å; A228-Y236 HydrophobicContact CB-CE2 4Å; A228-Y236 WeakPolarHBondContact CB-OH 3.4Å
229Q86.7Confident88.4Confident104 Ų10443.4 Ų43.449%0.48623%0.231SC..G310 helixtrans-62.2-24.1-177.177.2-169.4-12.800112.8Q226 G227 L231Q226-Q229 VanDerWaalsContact O-CG 3.3Å; Q226-Q229 WeakPolarHBondContact O-CG 3.32Å; Q226-Q229 PolarHBondContact O-N 2.75Å; G227-Q229 VanDerWaalsContact C-N 3.29Å; G227-Q229 PolarHBondContact O-N 3.26Å; Q229-L231 VanDerWaalsContact C-N 3.34Å
230F86.1Confident88.5Confident24 Ų2443.4 Ų43.411%0.10523%0.231CC..G310 helixtrans-83.1-8.5-179.6-60.9-76.9000113.7T134 C195 A200 G227 A228 K232T134-F230 HydrophobicContact CG2-CD2 3.89Å; T134-F230 HydrophobicContact CG2-CE2 3.52Å; C195-F230 WeakPolarHBondContact O-CE1 3.4Å; C195-F230 WeakPolarHBondContact O-CZ 3.48Å; A200-F230 HydrophobicContact CB-CB 3.64Å; A200-F230 WeakPolarHBondContact CB-O 3.11Å; G227-F230 PolarHBondContact O-N 3.34Å; A228-F230 PolarHBondContact O-N 2.74Å; A228-F230 VanDerWaalsContact O-N 3.1Å; F230-K232 PolarHBondContact O-N 3.29Å
231L87.9Confident88.5Confident4 Ų447.7 Ų47.72%0.02125%0.251CS..G310 helixtrans-75.6-1.4179.5-65178.1000113.6L132 A199 A200 V203 F218 A228 Q229 G233 T234 Y236L132-L231 HydrophobicContact CD2-CD1 4.27Å; A199-L231 HydrophobicContact CB-CD2 4Å; A200-L231 HydrophobicContact CB-CD2 4.48Å; V203-L231 HydrophobicContact CG2-CD2 4.21Å; F218-L231 HydrophobicContact CE2-CD1 4.04Å; F218-L231 HydrophobicContact CZ-CD1 4.41Å; A228-L231 WeakPolarHBondContact O-CB 3.44Å; A228-L231 PolarHBondContact O-N 2.71Å; Q229-L231 VanDerWaalsContact C-N 3.34Å; L231-G233 VanDerWaalsContact C-N 3.28Å; L231-G233 PolarHBondContact O-N 3.48Å; L231-G233 VanDerWaalsContact O-N 3.12Å; L231-T234 WeakPolarHBondContact O-CB 3.45Å; L231-T234 PolarHBondContact O-N 3.08Å; L231-T234 PolarHBondContact O-OG1 3.39Å; L231-Y236 HydrophobicContact CD1-CD1 3.94Å; L231-Y236 HydrophobicContact CD1-CD2 4.38Å; L231-Y236 HydrophobicContact CD1-CG 3.78Å
232K83Confident88.3Confident176 Ų17648.5 Ų48.577%0.76526%0.255SS*.THydrogen-bonded Turntrans46.843.1171-64-171.7179.5-171.70114.7F230F230-K232 PolarHBondContact O-N 3.29Å
233G86.2Confident88Confident79 Ų7953.5 Ų53.581%0.81428%0.281SS*.THydrogen-bonded Turntrans87.7-0.8179.100000115.1L231L231-G233 VanDerWaalsContact C-N 3.28Å; L231-G233 PolarHBondContact O-N 3.48Å; L231-G233 VanDerWaalsContact O-N 3.12Å
234T92.1Very high87.3Confident23 Ų2355.4 Ų55.414%0.14130%0.298CS..  trans-62.9122.9169-51.30000108.7V203 V213 L231V203-T234 WeakPolarHBondContact CG1-OG1 3.38Å; V203-T234 HydrophobicContact CG2-CG2 4.3Å; V213-T234 HydrophobicContact CB-CG2 3.87Å; V213-T234 HydrophobicContact CG1-CG2 3.62Å; L231-T234 WeakPolarHBondContact O-CB 3.45Å; L231-T234 PolarHBondContact O-N 3.08Å; L231-T234 PolarHBondContact O-OG1 3.39Å
235P94.1Very high87.6Confident59 Ų5954.4 Ų54.438%0.38330%0.298SS..  trans-68.6142.1-179.431-36.2000109.9A214 Y215 A216A214-P235 WeakPolarHBondContact O-CG 3.23Å; Y215-P235 CarbonylContact C-O 3.6Å; Y215-P235 WeakPolarHBondContact CA-O 3.29Å; Y215-P235 HydrophobicContact CD2-CB 3.75Å; Y215-P235 HydrophobicContact CD2-CG 3.76Å; Y215-P235 HydrophobicContact CE2-CB 3.61Å; Y215-P235 HydrophobicContact CE2-CG 4.15Å; Y215-P235 HydrophobicContact CG-CB 4.46Å; Y215-P235 HydrophobicContact CG-CG 4.35Å; A216-P235 PolarHBondContact N-O 3.39Å
236Y94.4Very high87.9Confident80 Ų8055.7 Ų55.731%0.31431%0.306SS..EExtended strand (participates in β ladder)trans-143.7164.3-17679.3-78.3000113.4L132 Y215 A216 F218 E221 A228 L231L132-Y236 HydrophobicContact CD2-CD2 4.12Å; L132-Y236 HydrophobicContact CD2-CE2 4.07Å; Y215-Y236 VanDerWaalsContact CE1-CA 3.47Å; Y215-Y236 WeakPolarHBondContact CE1-O 3.25Å; Y215-Y236 PolarHBondContact OH-O 3.26Å; A216-Y236 CarbonylContact O-C 3.48Å; A216-Y236 WeakPolarHBondContact O-CA 3.43Å; A216-Y236 VanDerWaalsContact O-CB 3.29Å; A216-Y236 WeakPolarHBondContact O-CB 3.31Å; F218-Y236 HydrophobicContact CD2-CD2 4.21Å; F218-Y236 HydrophobicContact CE2-CD2 4.31Å; E221-Y236 WeakPolarHBondContact OE2-CE2 3.36Å; A228-Y236 HydrophobicContact CB-CE1 3.71Å; A228-Y236 HydrophobicContact CB-CE2 4Å; A228-Y236 WeakPolarHBondContact CB-OH 3.4Å; L231-Y236 HydrophobicContact CD1-CD1 3.94Å; L231-Y236 HydrophobicContact CD1-CD2 4.38Å; L231-Y236 HydrophobicContact CD1-CG 3.78Å
237L92.1Very high88.1Confident27 Ų2753 Ų5314%0.14130%0.296CS..EExtended strand (participates in β ladder)trans-141.6127.8173.4177.171.5000108.4E52 Y215 A216 F217 F218 L239E52-L237 HydrophobicContact CB-CD2 4.18Å; E52-L237 HydrophobicContact CG-CD2 4.26Å; Y215-L237 HydrophobicContact CE1-CB 3.67Å; A216-L237 PolarHBondContact O-N 3.25Å; F217-L237 WeakPolarHBondContact CA-O 3.44Å; F217-L237 HydrophobicContact CD1-CB 4.2Å; F217-L237 HydrophobicContact CD1-CD2 3.94Å; F217-L237 HydrophobicContact CD1-CG 4.5Å; F217-L237 HydrophobicContact CE1-CB 4.16Å; F217-L237 HydrophobicContact CE1-CD2 3.46Å; F217-L237 VanDerWaalsContact CE1-CD2 3.46Å; F217-L237 HydrophobicContact CE1-CG 4.37Å; F217-L237 HydrophobicContact CZ-CD2 4.24Å; F218-L237 PolarHBondContact N-O 2.8Å; L237-L239 HydrophobicContact CD2-CD2 3.96Å; L237-L239 HydrophobicContact CG-CD2 4.47Å
238S92.3Very high88.5Confident10 Ų1056.1 Ų56.17%0.0731%0.314CS..EExtended strand (participates in β ladder)trans-109.6119.8169.4-50.30000107.8F218 E221F218-S238 WeakPolarHBondContact O-CA 3.34Å; E221-S238 VanDerWaalsContact CB-CB 3.45Å; E221-S238 VanDerWaalsContact CB-OG 3.31Å; E221-S238 WeakPolarHBondContact CB-OG 3.5Å; E221-S238 VanDerWaalsContact OE2-CB 3.24Å; E221-S238 WeakPolarHBondContact OE2-CB 3.14Å; E221-S238 PolarHBondContact OE2-OG 3.48Å
239L92Very high88.6Confident15 Ų1558.3 Ų58.38%0.07932%0.322CS..EExtended strand (participates in β ladder)trans-70.8-35.4-177.5-72.1-179.3000112.5L5 L45 L49 F218 L219 L237L5-L239 HydrophobicContact CD2-CD2 3.57Å; L45-L239 HydrophobicContact CD1-CD1 3.34Å; L49-L239 HydrophobicContact CD2-CD1 3.52Å; L49-L239 HydrophobicContact CD2-CG 4.17Å; L49-L239 HydrophobicContact CG-CD1 3.95Å; F218-L239 PolarHBondContact O-N 3.49Å; L219-L239 HydrophobicContact CD1-CD1 4.19Å; L237-L239 HydrophobicContact CD2-CD2 3.96Å; L237-L239 HydrophobicContact CG-CD2 4.47Å
240L92.9Very high88.7Confident0 Ų055.2 Ų55.20%031%0.311CS..EExtended strand (participates in β ladder)trans-119.3133178.5-51.1176.2000108.9E9 L12 K13 I16 L219 A220 E221 F242E9-L240 HydrophobicContact CB-CD2 4.46Å; E9-L240 HydrophobicContact CG-CD2 3.83Å; L12-L240 HydrophobicContact CB-CD1 4.06Å; L12-L240 HydrophobicContact CB-CD2 3.8Å; L12-L240 HydrophobicContact CB-CG 4.48Å; L12-L240 HydrophobicContact CD1-CD2 4.03Å; L12-L240 HydrophobicContact CD1-CG 4.5Å; K13-L240 HydrophobicContact CG-CD2 4.17Å; I16-L240 HydrophobicContact CD1-CD1 3.34Å; L219-L240 HydrophobicContact CD1-CD1 4.43Å; L219-L240 WeakPolarHBondContact O-CB 3.48Å; L219-L240 VanDerWaalsContact O-CG 3.28Å; L219-L240 WeakPolarHBondContact O-CG 3.49Å; L219-L240 PolarHBondContact O-N 3.35Å; A220-L240 CarbonylContact C-O 3.12Å; A220-L240 VanDerWaalsContact CA-O 3.27Å; A220-L240 WeakPolarHBondContact CA-O 3.23Å; A220-L240 HydrophobicContact CB-CB 4.14Å; E221-L240 PolarHBondContact N-O 2.79Å; L240-F242 HydrophobicContact CB-CE2 3.75Å; L240-F242 HydrophobicContact CB-CZ 4.16Å; L240-F242 HydrophobicContact CD1-CZ 4.49Å
241Q92.4Very high88.9Confident93 Ų9357.4 Ų57.444%0.43533%0.326SS..EExtended strand (participates in β ladder)trans-121.4132178.1-70-178-24.900109.8L223L223-Q241 HydrophobicContact CD1-CB 3.8Å; L223-Q241 HydrophobicContact CD1-CG 4.38Å; L223-Q241 HydrophobicContact CD2-CG 4.37Å; L223-Q241 HydrophobicContact CG-CB 4.15Å; L223-Q241 HydrophobicContact CG-CG 4.5Å
242F88.6Confident88.9Confident22 Ų2261.5 Ų61.510%0.09635%0.349CS..EExtended strand (participates in β ladder)trans-125.4120-179.2-60.4-81000110.2I16 A220 E221 L222 L223 L240 S244I16-F242 HydrophobicContact CD1-CE2 4.39Å; I16-F242 HydrophobicContact CD1-CZ 3.8Å; A220-F242 HydrophobicContact CB-CD2 4.25Å; A220-F242 HydrophobicContact CB-CE2 3.84Å; E221-F242 PolarHBondContact O-N 2.85Å; L222-F242 HydrophobicContact CD2-CB 4.06Å; L222-F242 HydrophobicContact CD2-CD2 4.31Å; L223-F242 PolarHBondContact N-O 2.89Å; L240-F242 HydrophobicContact CB-CE2 3.75Å; L240-F242 HydrophobicContact CB-CZ 4.16Å; L240-F242 HydrophobicContact CD1-CZ 4.49Å; F242-S244 VanDerWaalsContact C-N 3.29Å
243D83.6Confident89.4Confident128 Ų12852 Ų5268%0.68431%0.314SS*.  trans-80.7-9.1176.4-66.8-50000113.4L223L223-D243 WeakPolarHBondContact CD1-OD1 3.33Å
244S72.5Confident89.7Confident88 Ų8849.5 Ų49.562%0.61527%0.269SS*.  trans-148.30179.9580000113.8R30 Y224 F242R30-S244 PolarHBondContact NH2-O 3.22Å; Y224-S244 VanDerWaalsContact CE1-C 3.44Å; Y224-S244 WeakPolarHBondContact CE1-OXT 3.4Å; F242-S244 VanDerWaalsContact C-N 3.29Å

Retrieved 244 of 244 residues in 114.6 ms (Link to these results)

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