A0A077ZHD0_TRITR Loading...

Protein polybromo 1

AlphaFold DB , UniProt , Accession A0A077ZHD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,162 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
1M33.3Very low43.1Very low211 Ų211134.8 Ų134.8100%1.03966%0.66SS**  0-64.40-66.3-164.2177.400112.4R3 S4M1-R3 PolarHBondContact O-N 2.59Å; M1-S4 PolarHBondContact O-N 3.19Å; M1-S4 PolarHBondContact O-OG 2.81Å
2L37.5Very low42.8Very low150 Ų150131.3 Ų131.379%0.78565%0.645SS**G310 helixtrans-62.5-37.4178.8-80.4163.8000114.5S4 S5L2-S4 PolarHBondContact O-N 3.45Å; L2-S4 VanDerWaalsContact O-N 3.08Å; L2-S5 PolarHBondContact O-N 3.08Å
3R38.9Very low42.4Very low206 Ų206127.5 Ų127.578%0.77764%0.639SS**G310 helixtrans-66.3-5.2176.7-65.1-173-175.4-177.61.8115.2M1 Y8M1-R3 PolarHBondContact O-N 2.59Å; R3-Y8 HydrophobicContact CB-CE1 4.38Å; R3-Y8 HydrophobicContact CG-CE1 4.3Å
4S46.8Very low42.2Very low97 Ų97132.1 Ų132.168%0.67865%0.653SS**G310 helixtrans-117.413.8-175.251.40000113.3M1 L2M1-S4 PolarHBondContact O-N 3.19Å; M1-S4 PolarHBondContact O-OG 2.81Å; L2-S4 PolarHBondContact O-N 3.45Å; L2-S4 VanDerWaalsContact O-N 3.08Å
5S50.4Low42.2Very low33 Ų33128.8 Ų128.823%0.23165%0.645CS.*  trans-87.2139.8174.4131.60000111.1L2 E7 Y8L2-S5 PolarHBondContact O-N 3.08Å; S5-E7 WeakPolarHBondContact CB-OE2 3.42Å; S5-E7 PolarHBondContact O-N 3.1Å; S5-E7 WeakPolarHBondContact OG-CB 3.46Å; S5-E7 PolarHBondContact OG-N 3.48Å; S5-E7 VanDerWaalsContact OG-N 3.1Å; S5-E7 PolarHBondContact OG-OE2 2.91Å; S5-Y8 WeakPolarHBondContact O-CB 3.39Å; S5-Y8 PolarHBondContact O-N 3.37Å; S5-Y8 VanDerWaalsContact O-N 3.15Å; S5-Y8 PolarHBondContact OG-N 3.19Å
6P45.7Very low42.6Very low93 Ų93124.9 Ų124.960%0.60463%0.625SS**Hα-helixtrans-59.4-28.3171.9-2535.6000113.8H9 K10P6-H9 PolarHBondContact O-N 3.38Å; P6-K10 PolarHBondContact O-N 3.3Å
7E46.4Very low43.3Very low122 Ų122122.1 Ų122.157%0.5761%0.613SS**Hα-helixtrans-69.1-36.6175.2-57.969.2-148.800111.8S5 H9 K10 M11S5-E7 WeakPolarHBondContact CB-OE2 3.42Å; S5-E7 PolarHBondContact O-N 3.1Å; S5-E7 WeakPolarHBondContact OG-CB 3.46Å; S5-E7 PolarHBondContact OG-N 3.48Å; S5-E7 VanDerWaalsContact OG-N 3.1Å; S5-E7 PolarHBondContact OG-OE2 2.91Å; E7-H9 VanDerWaalsContact C-N 3.29Å; E7-H9 PolarHBondContact O-N 3.24Å; E7-K10 CarbonylContact O-C 3.5Å; E7-K10 WeakPolarHBondContact O-CA 3.38Å; E7-K10 PolarHBondContact O-N 3.02Å; E7-M11 PolarHBondContact O-N 3.15Å
8Y48.2Very low43.9Very low99 Ų99121.6 Ų121.639%0.38861%0.611SS.*Hα-helixtrans-59.4-40175.1-173.4-106000111.5R3 S5 M11 I12R3-Y8 HydrophobicContact CB-CE1 4.38Å; R3-Y8 HydrophobicContact CG-CE1 4.3Å; S5-Y8 WeakPolarHBondContact O-CB 3.39Å; S5-Y8 PolarHBondContact O-N 3.37Å; S5-Y8 VanDerWaalsContact O-N 3.15Å; S5-Y8 PolarHBondContact OG-N 3.19Å; Y8-M11 PolarHBondContact O-N 3.04Å; Y8-I12 HydrophobicContact CD1-CD1 3.82Å; Y8-I12 HydrophobicContact CE1-CD1 3.47Å; Y8-I12 VanDerWaalsContact CE1-CD1 3.47Å; Y8-I12 HydrophobicContact CE2-CD1 4.23Å; Y8-I12 HydrophobicContact CG-CD1 4.34Å; Y8-I12 WeakPolarHBondContact O-CD1 3.5Å; Y8-I12 WeakPolarHBondContact O-CG1 3.47Å; Y8-I12 PolarHBondContact O-N 3.41Å
9H45.8Very low44.8Very low134 Ų134119.8 Ų119.862%0.6261%0.608SS**Hα-helixtrans-72.6-25.3173.8-88.3-75.1000114.1P6 E7P6-H9 PolarHBondContact O-N 3.38Å; E7-H9 VanDerWaalsContact C-N 3.29Å; E7-H9 PolarHBondContact O-N 3.24Å
10K43.8Very low45.8Very low168 Ų168117.4 Ų117.473%0.7360%0.595SS**Hα-helixtrans-77.3-25.5170.8-80.6-178.3174.8175.70113.8P6 E7 S13P6-K10 PolarHBondContact O-N 3.3Å; E7-K10 CarbonylContact O-C 3.5Å; E7-K10 WeakPolarHBondContact O-CA 3.38Å; E7-K10 PolarHBondContact O-N 3.02Å; K10-S13 PolarHBondContact O-OG 3.4Å
11M37.5Very low46.7Very low170 Ų170112 Ų11284%0.83757%0.569SS**Hα-helixtrans-77-22.9174.1-83.7-178.563.100113.6E7 Y8E7-M11 PolarHBondContact O-N 3.15Å; Y8-M11 PolarHBondContact O-N 3.04Å
12I39.8Very low48.2Very low93 Ų93108.2 Ų108.248%0.47755%0.548SS..SBendtrans-89.5-10.3-178.4-63.3167.1000111.9Y8 K14Y8-I12 HydrophobicContact CD1-CD1 3.82Å; Y8-I12 HydrophobicContact CE1-CD1 3.47Å; Y8-I12 VanDerWaalsContact CE1-CD1 3.47Å; Y8-I12 HydrophobicContact CE2-CD1 4.23Å; Y8-I12 HydrophobicContact CG-CD1 4.34Å; Y8-I12 WeakPolarHBondContact O-CD1 3.5Å; Y8-I12 WeakPolarHBondContact O-CG1 3.47Å; Y8-I12 PolarHBondContact O-N 3.41Å; I12-K14 PolarHBondContact O-N 3.41Å
13S37Very low49.8Very low81 Ų81105.1 Ų105.157%0.56653%0.529SS*.SBendtrans-81.671.2-177.462.30000114.2K10K10-S13 PolarHBondContact O-OG 3.4Å
14K39.3Very low51.6Low193 Ų19397 Ų9784%0.83950%0.5SS*.  trans168.576138.4-93.6177.7-176-175.40110.4I12 M16I12-K14 PolarHBondContact O-N 3.41Å; K14-M16 PolarHBondContact O-N 2.95Å
15P42.5Very low52.6Low82 Ų8299 Ų9953%0.53250%0.496SS..  trans-62.2131.2160.329-32.7000108D17 I20P15-D17 PolarHBondContact O-N 2.63Å; P15-I20 WeakPolarHBondContact O-CD1 3.48Å
16M48.5Very low53.6Low67 Ų67103.5 Ų103.533%0.3351%0.512SS..  trans-77.263167.2-166.6-174.4-80.600108.7K14 I21 D39 L43K14-M16 PolarHBondContact O-N 2.95Å; M16-I21 HydrophobicContact CG-CD1 4.27Å; M16-I21 HydrophobicContact CG-CG1 4.17Å; M16-I21 HydrophobicContact SD-CD1 4.22Å; M16-I21 HydrophobicContact SD-CG1 4.44Å; M16-D39 HydrophobicContact CE-CB 4.4Å; M16-D39 WeakPolarHBondContact CE-OD1 3.35Å; M16-D39 HydrophobicContact SD-CB 3.78Å; M16-L43 WeakPolarHBondContact O-CD1 3.48Å
17D55.1Low55.3Low77 Ų77103.7 Ų103.741%0.41251%0.508SS..  trans-57.2146.6178.3-1783.7000109.8P15 T19 I20 I21P15-D17 PolarHBondContact O-N 2.63Å; D17-T19 PolarHBondContact O-N 3.2Å; D17-T19 VanDerWaalsContact O-N 3.09Å; D17-T19 PolarHBondContact OD1-N 3.28Å; D17-T19 VanDerWaalsContact OD1-N 3.1Å; D17-T19 PolarHBondContact OD1-OG1 3.24Å; D17-T19 WeakPolarHBondContact OD2-CB 3.41Å; D17-T19 PolarHBondContact OD2-OG1 2.98Å; D17-I20 HydrophobicContact CB-CG1 4.44Å; D17-I20 WeakPolarHBondContact O-CA 3.36Å; D17-I20 WeakPolarHBondContact O-CB 3.25Å; D17-I20 PolarHBondContact O-N 3.29Å; D17-I21 PolarHBondContact O-N 3.17Å
18L53Low56.4Low112 Ų112100.6 Ų100.659%0.58651%0.509SS*.Hα-helixtrans-50-31.1166.8-80.9163.2000111I20 I21 H22 L43L18-I20 PolarHBondContact O-N 3.28Å; L18-I21 PolarHBondContact O-N 2.76Å; L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 PolarHBondContact O-N 3.4Å; L18-L43 HydrophobicContact CD2-CD2 4.16Å; L18-L43 HydrophobicContact CG-CD2 4.12Å
19T61.6Low57.7Low88 Ų88100.3 Ų100.354%0.5451%0.511SS..Hα-helixtrans-60.5-38172-440000113.1D17 Q23D17-T19 PolarHBondContact O-N 3.2Å; D17-T19 VanDerWaalsContact O-N 3.09Å; D17-T19 PolarHBondContact OD1-N 3.28Å; D17-T19 VanDerWaalsContact OD1-N 3.1Å; D17-T19 PolarHBondContact OD1-OG1 3.24Å; D17-T19 WeakPolarHBondContact OD2-CB 3.41Å; D17-T19 PolarHBondContact OD2-OG1 2.98Å; T19-Q23 VanDerWaalsContact O-CB 3.29Å; T19-Q23 WeakPolarHBondContact O-CB 3.16Å; T19-Q23 PolarHBondContact O-N 3.27Å
20I65.6Low58.8Low71 Ų7195.6 Ų95.636%0.36449%0.488SS..Hα-helixtrans-71.9-44175.8-60.8-172.8000110.7P15 D17 L18 H22 Q23 K24P15-I20 WeakPolarHBondContact O-CD1 3.48Å; D17-I20 HydrophobicContact CB-CG1 4.44Å; D17-I20 WeakPolarHBondContact O-CA 3.36Å; D17-I20 WeakPolarHBondContact O-CB 3.25Å; D17-I20 PolarHBondContact O-N 3.29Å; L18-I20 PolarHBondContact O-N 3.28Å; I20-H22 VanDerWaalsContact C-N 3.27Å; I20-H22 PolarHBondContact O-N 3.12Å; I20-Q23 PolarHBondContact O-N 3.3Å; I20-Q23 VanDerWaalsContact O-N 3.16Å; I20-K24 HydrophobicContact CG2-CG 4.44Å; I20-K24 WeakPolarHBondContact O-CG 3.31Å; I20-K24 PolarHBondContact O-N 3.38Å
21I64.8Low59.3Low6 Ų693 Ų933%0.03149%0.491CS..Hα-helixtrans-60.8-40.7176.2-64.9179.3000110.1M16 D17 L18 F25 F36 D39 I40 L43M16-I21 HydrophobicContact CG-CD1 4.27Å; M16-I21 HydrophobicContact CG-CG1 4.17Å; M16-I21 HydrophobicContact SD-CD1 4.22Å; M16-I21 HydrophobicContact SD-CG1 4.44Å; D17-I21 PolarHBondContact O-N 3.17Å; L18-I21 PolarHBondContact O-N 2.76Å; I21-F25 WeakPolarHBondContact O-CB 3.14Å; I21-F25 PolarHBondContact O-N 2.92Å; I21-F36 HydrophobicContact CG2-CD2 3.92Å; I21-F36 HydrophobicContact CG2-CE2 3.58Å; I21-D39 HydrophobicContact CD1-CB 4.11Å; I21-D39 HydrophobicContact CG1-CB 4.25Å; I21-I40 HydrophobicContact CD1-CD1 3.98Å; I21-I40 HydrophobicContact CG2-CD1 4.34Å; I21-L43 HydrophobicContact CD1-CD2 4.32Å
22H63.5Low60.2Low131 Ų13188.6 Ų88.661%0.60647%0.471SS*.Hα-helixtrans-66.8-36.2174.7-17673.1000113L18 I20 F25 K26L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 PolarHBondContact O-N 3.4Å; I20-H22 VanDerWaalsContact C-N 3.27Å; I20-H22 PolarHBondContact O-N 3.12Å; H22-F25 PolarHBondContact O-N 3.45Å; H22-K26 WeakPolarHBondContact NE2-CE 3.48Å; H22-K26 PolarHBondContact NE2-NZ 2.87Å; H22-K26 VanDerWaalsContact NE2-NZ 3.16Å; H22-K26 PolarHBondContact O-N 2.85Å
23Q72Confident60.8Low84 Ų8488.1 Ų88.139%0.39348%0.475SS..Hα-helixtrans-70.3-48.6176.6-170.955.737.300111.2T19 I20 F25 K26 D27T19-Q23 VanDerWaalsContact O-CB 3.29Å; T19-Q23 WeakPolarHBondContact O-CB 3.16Å; T19-Q23 PolarHBondContact O-N 3.27Å; I20-Q23 PolarHBondContact O-N 3.3Å; I20-Q23 VanDerWaalsContact O-N 3.16Å; Q23-F25 PolarHBondContact O-N 2.73Å; Q23-K26 WeakPolarHBondContact O-CA 3.29Å; Q23-K26 WeakPolarHBondContact O-CB 3.23Å; Q23-K26 PolarHBondContact O-N 2.82Å; Q23-D27 WeakPolarHBondContact CG-OD2 3.47Å; Q23-D27 PolarHBondContact NE2-OD1 3.16Å; Q23-D27 PolarHBondContact NE2-OD2 3.46Å; Q23-D27 WeakPolarHBondContact O-CB 3.5Å; Q23-D27 VanDerWaalsContact O-CG 3.28Å; Q23-D27 PolarHBondContact O-N 3.3Å
24K76.6Confident61.9Low37 Ų3789 Ų8916%0.16147%0.473CS..Hα-helixtrans-52.2-38.3170-74.1-175.6175.2-177.70112.8I20 G28 E29 Y30 D39I20-K24 HydrophobicContact CG2-CG 4.44Å; I20-K24 WeakPolarHBondContact O-CG 3.31Å; I20-K24 PolarHBondContact O-N 3.38Å; K24-G28 PolarHBondContact O-N 3.43Å; K24-E29 HydrophobicContact CB-CB 4.03Å; K24-E29 HydrophobicContact CG-CB 4.3Å; K24-E29 HydrophobicContact CG-CG 4.49Å; K24-E29 PolarHBondContact O-N 2.93Å; K24-Y30 HydrophobicContact CB-CD2 4.34Å; K24-Y30 HydrophobicContact CB-CE2 3.56Å; K24-Y30 HydrophobicContact CD-CE1 4.21Å; K24-Y30 VanDerWaalsContact CD-OH 3.29Å; K24-Y30 WeakPolarHBondContact CD-OH 3.35Å; K24-D39 WeakPolarHBondContact CD-OD2 3.47Å; K24-D39 IonicContact NZ-OD1 3.44Å; K24-D39 PolarHBondContact NZ-OD1 3.47Å; K24-D39 IonicContact NZ-OD2 2.69Å; K24-D39 PolarHBondContact NZ-OD2 3.47Å
25F66.9Low63Low138 Ų13883.7 Ų83.761%0.60545%0.45SS*.Hα-helixtrans-68.3-39.1176.8-170.7-86.1000112.5I21 H22 Q23 Y30I21-F25 WeakPolarHBondContact O-CB 3.14Å; I21-F25 PolarHBondContact O-N 2.92Å; H22-F25 PolarHBondContact O-N 3.45Å; Q23-F25 PolarHBondContact O-N 2.73Å; F25-Y30 HydrophobicContact CB-CD2 4.14Å; F25-Y30 HydrophobicContact CB-CE2 4.05Å; F25-Y30 HydrophobicContact CD2-CD2 4.15Å
26K71.4Confident64.1Low128 Ų12883.5 Ų83.556%0.55744%0.441SS*.Hα-helixtrans-68.3-37.5173.1-78.6177.2168.7179.50113.1H22 Q23 G28H22-K26 WeakPolarHBondContact NE2-CE 3.48Å; H22-K26 PolarHBondContact NE2-NZ 2.87Å; H22-K26 VanDerWaalsContact NE2-NZ 3.16Å; H22-K26 PolarHBondContact O-N 2.85Å; Q23-K26 WeakPolarHBondContact O-CA 3.29Å; Q23-K26 WeakPolarHBondContact O-CB 3.23Å; Q23-K26 PolarHBondContact O-N 2.82Å; K26-G28 PolarHBondContact O-N 2.92Å
27D81.5Confident64.5Low96 Ų9683.3 Ų83.351%0.51344%0.44SS..THydrogen-bonded Turntrans-83-0.3-175.8-61.8-23.3000112.9Q23 E29Q23-D27 WeakPolarHBondContact CG-OD2 3.47Å; Q23-D27 PolarHBondContact NE2-OD1 3.16Å; Q23-D27 PolarHBondContact NE2-OD2 3.46Å; Q23-D27 WeakPolarHBondContact O-CB 3.5Å; Q23-D27 VanDerWaalsContact O-CG 3.28Å; Q23-D27 PolarHBondContact O-N 3.3Å; D27-E29 VanDerWaalsContact C-N 3.31Å; D27-E29 PolarHBondContact O-N 2.9Å
28G70.8Confident65.1Low58 Ų5882.8 Ų82.860%0.59844%0.442SS*.THydrogen-bonded Turntrans73.517.2178.200000114.4K24 K26 Y30K24-G28 PolarHBondContact O-N 3.43Å; K26-G28 PolarHBondContact O-N 2.92Å; G28-Y30 PolarHBondContact O-N 3.45Å; G28-Y30 VanDerWaalsContact O-N 3.13Å
29E74.4Confident65.7Low93 Ų9378.3 Ų78.344%0.43542%0.419SS..  trans-66.8-12.4-177.4-79.3-162.5-14800114.5K24 D27 K35K24-E29 HydrophobicContact CB-CB 4.03Å; K24-E29 HydrophobicContact CG-CB 4.3Å; K24-E29 HydrophobicContact CG-CG 4.49Å; K24-E29 PolarHBondContact O-N 2.93Å; D27-E29 VanDerWaalsContact C-N 3.31Å; D27-E29 PolarHBondContact O-N 2.9Å; E29-K35 PolarHBondContact O-NZ 2.95Å
30Y69.4Low65.6Low35 Ų3576.2 Ų76.214%0.13740%0.404CS..  trans-95.993.4176.3-59.8-59.9000110.5K24 F25 G28 N32 K35 F36 D39K24-Y30 HydrophobicContact CB-CD2 4.34Å; K24-Y30 HydrophobicContact CB-CE2 3.56Å; K24-Y30 HydrophobicContact CD-CE1 4.21Å; K24-Y30 VanDerWaalsContact CD-OH 3.29Å; K24-Y30 WeakPolarHBondContact CD-OH 3.35Å; F25-Y30 HydrophobicContact CB-CD2 4.14Å; F25-Y30 HydrophobicContact CB-CE2 4.05Å; F25-Y30 HydrophobicContact CD2-CD2 4.15Å; G28-Y30 PolarHBondContact O-N 3.45Å; G28-Y30 VanDerWaalsContact O-N 3.13Å; Y30-N32 PolarHBondContact O-N 3.39Å; Y30-K35 HydrophobicContact CD1-CB 4.02Å; Y30-K35 HydrophobicContact CD1-CD 4.19Å; Y30-K35 HydrophobicContact CD1-CG 3.94Å; Y30-K35 HydrophobicContact CE1-CG 4.17Å; Y30-F36 HydrophobicContact CD1-CB 3.87Å; Y30-F36 HydrophobicContact CD2-CB 4.35Å; Y30-F36 HydrophobicContact CD2-CD2 4.27Å; Y30-F36 HydrophobicContact CE1-CB 4.02Å; Y30-F36 HydrophobicContact CE2-CB 4.48Å; Y30-F36 AromaticContact CE2-CD2 3.86Å; Y30-F36 HydrophobicContact CE2-CD2 3.86Å; Y30-F36 HydrophobicContact CG-CB 4.05Å; Y30-D39 WeakPolarHBondContact CE1-OD2 3.47Å; Y30-D39 PolarHBondContact OH-OD2 2.88Å
31S54.5Low65.5Low112 Ų11281.2 Ų81.278%0.78342%0.418SS*.SBendtrans-69.8-18.5173.350.60000113.7
32N55.5Low65.5Low79 Ų7984 Ų8442%0.42244%0.438SS..SBendtrans-152.6174.3173.473.55.8000111.5Y30 D34 K35Y30-N32 PolarHBondContact O-N 3.39Å; N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 PolarHBondContact ND2-OD2 3.5Å; N32-D34 PolarHBondContact O-N 3.32Å; N32-D34 PolarHBondContact OD1-N 2.68Å; N32-D34 VanDerWaalsContact OD1-N 3.17Å; N32-K35 PolarHBondContact OD1-N 2.72Å
33C54.3Low65.3Low83 Ų8379 Ų7956%0.56142%0.416SS*.Hα-helixtrans-67.1-29.9178.9-62.40000113.5K35 F36 I37C33-K35 PolarHBondContact O-N 3.15Å; C33-F36 PolarHBondContact O-N 3.16Å; C33-I37 HydrophobicContact CB-CD1 4.2Å; C33-I37 VanDerWaalsContact O-CG1 3.31Å; C33-I37 WeakPolarHBondContact O-CG1 3.37Å; C33-I37 PolarHBondContact O-N 3.19Å
34D58.5Low64.4Low98 Ų9878.5 Ų78.552%0.52441%0.412SS..Hα-helixtrans-64.4-40.3-170.8-52.5-47.3000112.3N32 I37 C38N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 PolarHBondContact ND2-OD2 3.5Å; N32-D34 PolarHBondContact O-N 3.32Å; N32-D34 PolarHBondContact OD1-N 2.68Å; N32-D34 VanDerWaalsContact OD1-N 3.17Å; D34-I37 PolarHBondContact O-N 2.71Å; D34-C38 WeakPolarHBondContact O-CB 3.49Å; D34-C38 PolarHBondContact O-N 2.71Å; D34-C38 PolarHBondContact O-SG 3.32Å
35K62.9Low63.4Low83 Ų8380.4 Ų80.436%0.36143%0.43SS..Hα-helixtrans-66.4-36.9178.1-171-179.3173.6-164.50112.1E29 Y30 N32 C33 D39E29-K35 PolarHBondContact O-NZ 2.95Å; Y30-K35 HydrophobicContact CD1-CB 4.02Å; Y30-K35 HydrophobicContact CD1-CD 4.19Å; Y30-K35 HydrophobicContact CD1-CG 3.94Å; Y30-K35 HydrophobicContact CE1-CG 4.17Å; N32-K35 PolarHBondContact OD1-N 2.72Å; C33-K35 PolarHBondContact O-N 3.15Å; K35-D39 PolarHBondContact O-N 3.42Å; K35-D39 VanDerWaalsContact O-N 3.15Å
36F65Low62.9Low77 Ų7781.2 Ų81.234%0.33843%0.429SS..Hα-helixtrans-68.5-43.3172.9173.3-100.3000111.7I21 Y30 C33 C38 D39 I40I21-F36 HydrophobicContact CG2-CD2 3.92Å; I21-F36 HydrophobicContact CG2-CE2 3.58Å; Y30-F36 HydrophobicContact CD1-CB 3.87Å; Y30-F36 HydrophobicContact CD2-CB 4.35Å; Y30-F36 HydrophobicContact CD2-CD2 4.27Å; Y30-F36 HydrophobicContact CE1-CB 4.02Å; Y30-F36 HydrophobicContact CE2-CB 4.48Å; Y30-F36 AromaticContact CE2-CD2 3.86Å; Y30-F36 HydrophobicContact CE2-CD2 3.86Å; Y30-F36 HydrophobicContact CG-CB 4.05Å; C33-F36 PolarHBondContact O-N 3.16Å; F36-C38 VanDerWaalsContact C-N 3.3Å; F36-C38 PolarHBondContact O-N 2.95Å; F36-D39 PolarHBondContact O-N 3.19Å; F36-I40 HydrophobicContact CD1-CG1 4.43Å; F36-I40 HydrophobicContact CD2-CG1 4.47Å; F36-I40 HydrophobicContact CE1-CG1 4.03Å; F36-I40 HydrophobicContact CE2-CD1 4.34Å; F36-I40 HydrophobicContact CE2-CG1 4.08Å; F36-I40 HydrophobicContact CZ-CD1 4.14Å; F36-I40 HydrophobicContact CZ-CG1 3.84Å; F36-I40 WeakPolarHBondContact O-CG1 3.33Å; F36-I40 PolarHBondContact O-N 3.34Å
37I58Low62Low63 Ų6379.6 Ų79.632%0.32342%0.424SS..Hα-helixtrans-62.9-37.2176.4-69.5166.1000111C33 D34 R41C33-I37 HydrophobicContact CB-CD1 4.2Å; C33-I37 VanDerWaalsContact O-CG1 3.31Å; C33-I37 WeakPolarHBondContact O-CG1 3.37Å; C33-I37 PolarHBondContact O-N 3.19Å; D34-I37 PolarHBondContact O-N 2.71Å; I37-R41 HydrophobicContact CG2-CG 4.3Å; I37-R41 VanDerWaalsContact O-CB 3.32Å; I37-R41 WeakPolarHBondContact O-CB 3.44Å; I37-R41 VanDerWaalsContact O-CG 3.25Å; I37-R41 WeakPolarHBondContact O-CG 3.27Å; I37-R41 PolarHBondContact O-N 3.13Å
38C66.5Low60.5Low67 Ų6785 Ų8545%0.45344%0.437SS..Hα-helixtrans-67.2-43.6175.7-69.80000112.8D34 F36 R41 S42D34-C38 WeakPolarHBondContact O-CB 3.49Å; D34-C38 PolarHBondContact O-N 2.71Å; D34-C38 PolarHBondContact O-SG 3.32Å; F36-C38 VanDerWaalsContact C-N 3.3Å; F36-C38 PolarHBondContact O-N 2.95Å; C38-R41 PolarHBondContact O-N 2.74Å; C38-S42 WeakPolarHBondContact O-CB 3.5Å; C38-S42 PolarHBondContact O-N 3.38Å; C38-S42 PolarHBondContact O-OG 2.93Å
39D66.4Low59.8Low18 Ų1885.9 Ų85.910%0.09643%0.434CS..Hα-helixtrans-60.9-45.5174.5-80.6-5.4000110.8M16 I21 K24 Y30 K35 F36 S42 L43M16-D39 HydrophobicContact CE-CB 4.4Å; M16-D39 WeakPolarHBondContact CE-OD1 3.35Å; M16-D39 HydrophobicContact SD-CB 3.78Å; I21-D39 HydrophobicContact CD1-CB 4.11Å; I21-D39 HydrophobicContact CG1-CB 4.25Å; K24-D39 WeakPolarHBondContact CD-OD2 3.47Å; K24-D39 IonicContact NZ-OD1 3.44Å; K24-D39 PolarHBondContact NZ-OD1 3.47Å; K24-D39 IonicContact NZ-OD2 2.69Å; K24-D39 PolarHBondContact NZ-OD2 3.47Å; Y30-D39 WeakPolarHBondContact CE1-OD2 3.47Å; Y30-D39 PolarHBondContact OH-OD2 2.88Å; K35-D39 PolarHBondContact O-N 3.42Å; K35-D39 VanDerWaalsContact O-N 3.15Å; F36-D39 PolarHBondContact O-N 3.19Å; D39-S42 WeakPolarHBondContact O-CB 3.38Å; D39-S42 PolarHBondContact O-N 2.96Å; D39-L43 PolarHBondContact O-N 3.18Å
40I59.1Low58.7Low44 Ų4486.5 Ų86.523%0.22644%0.441CS..Hα-helixtrans-65-41.5177-68.7-71.9000112.8I21 F36 S42 L43 K44I21-I40 HydrophobicContact CD1-CD1 3.98Å; I21-I40 HydrophobicContact CG2-CD1 4.34Å; F36-I40 HydrophobicContact CD1-CG1 4.43Å; F36-I40 HydrophobicContact CD2-CG1 4.47Å; F36-I40 HydrophobicContact CE1-CG1 4.03Å; F36-I40 HydrophobicContact CE2-CD1 4.34Å; F36-I40 HydrophobicContact CE2-CG1 4.08Å; F36-I40 HydrophobicContact CZ-CD1 4.14Å; F36-I40 HydrophobicContact CZ-CG1 3.84Å; F36-I40 WeakPolarHBondContact O-CG1 3.33Å; F36-I40 PolarHBondContact O-N 3.34Å; I40-S42 VanDerWaalsContact C-N 3.31Å; I40-S42 PolarHBondContact O-N 3.22Å; I40-L43 WeakPolarHBondContact O-CB 3.4Å; I40-L43 PolarHBondContact O-N 3.16Å; I40-K44 PolarHBondContact O-N 3.45Å
41R63Low57.4Low176 Ų17691.9 Ų91.966%0.66447%0.471SS*.Hα-helixtrans-64.3-38.1175.7-78174.7178.4169.50.4111.5I37 C38 K44 S45I37-R41 HydrophobicContact CG2-CG 4.3Å; I37-R41 VanDerWaalsContact O-CB 3.32Å; I37-R41 WeakPolarHBondContact O-CB 3.44Å; I37-R41 VanDerWaalsContact O-CG 3.25Å; I37-R41 WeakPolarHBondContact O-CG 3.27Å; I37-R41 PolarHBondContact O-N 3.13Å; C38-R41 PolarHBondContact O-N 2.74Å; R41-K44 PolarHBondContact O-N 2.91Å; R41-S45 VanDerWaalsContact O-CB 3.31Å; R41-S45 WeakPolarHBondContact O-CB 3.47Å; R41-S45 PolarHBondContact O-N 3.07Å
42S65.1Low56.3Low64 Ų6492.5 Ų92.545%0.44847%0.47SS..Hα-helixtrans-63.7-42.3175.3-56.80000111.3C38 D39 I40 S45 W46C38-S42 WeakPolarHBondContact O-CB 3.5Å; C38-S42 PolarHBondContact O-N 3.38Å; C38-S42 PolarHBondContact O-OG 2.93Å; D39-S42 WeakPolarHBondContact O-CB 3.38Å; D39-S42 PolarHBondContact O-N 2.96Å; I40-S42 VanDerWaalsContact C-N 3.31Å; I40-S42 PolarHBondContact O-N 3.22Å; S42-S45 PolarHBondContact O-N 3.48Å; S42-W46 WeakPolarHBondContact O-CB 3.48Å; S42-W46 PolarHBondContact O-N 3.03Å
43L59.2Low55.4Low25 Ų2593.8 Ų93.813%0.13149%0.485CS..Hα-helixtrans-59.2-52.9173.8-177.363.2000112M16 L18 I21 D39 I40 S45 W46 E47M16-L43 WeakPolarHBondContact O-CD1 3.48Å; L18-L43 HydrophobicContact CD2-CD2 4.16Å; L18-L43 HydrophobicContact CG-CD2 4.12Å; I21-L43 HydrophobicContact CD1-CD2 4.32Å; D39-L43 PolarHBondContact O-N 3.18Å; I40-L43 WeakPolarHBondContact O-CB 3.4Å; I40-L43 PolarHBondContact O-N 3.16Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3Å; L43-W46 PolarHBondContact O-N 3.09Å; L43-W46 VanDerWaalsContact O-N 3.16Å; L43-E47 PolarHBondContact O-N 2.69Å
44K52.7Low54.5Low74 Ų7499.4 Ų99.432%0.32250%0.503SS..Hα-helixtrans-62.5-34178.2-73.5-168.1177.5-173.90113.2I40 R41 R48 E200I40-K44 PolarHBondContact O-N 3.45Å; R41-K44 PolarHBondContact O-N 2.91Å; K44-R48 WeakPolarHBondContact O-CB 3.41Å; K44-R48 WeakPolarHBondContact O-CG 3.48Å; K44-R48 PolarHBondContact O-N 3.44Å; K44-R48 VanDerWaalsContact O-N 3.15Å; K44-E200 IonicContact NZ-OE1 2.69Å; K44-E200 PolarHBondContact NZ-OE1 3.34Å; K44-E200 IonicContact NZ-OE2 3.15Å; K44-E200 PolarHBondContact NZ-OE2 3.24Å
45S57.4Low53.6Low77 Ų77100.8 Ų100.854%0.53852%0.515SS..Hα-helixtrans-69.1-39.5175.3-176.40000111.8R41 S42 L43 R48 S49R41-S45 VanDerWaalsContact O-CB 3.31Å; R41-S45 WeakPolarHBondContact O-CB 3.47Å; R41-S45 PolarHBondContact O-N 3.07Å; S42-S45 PolarHBondContact O-N 3.48Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3Å; S45-R48 PolarHBondContact O-N 3.11Å; S45-S49 PolarHBondContact O-N 2.86Å; S45-S49 VanDerWaalsContact O-N 3.12Å; S45-S49 PolarHBondContact O-OG 3.12Å
46W54.7Low53Low155 Ų155105.6 Ų105.659%0.58754%0.539SS*.Hα-helixtrans-67.5-40.1176.3-179.986.9000112.7S42 L43 S49 N50S42-W46 WeakPolarHBondContact O-CB 3.48Å; S42-W46 PolarHBondContact O-N 3.03Å; L43-W46 PolarHBondContact O-N 3.09Å; L43-W46 VanDerWaalsContact O-N 3.16Å; W46-S49 WeakPolarHBondContact CA-OG 3.43Å; W46-S49 PolarHBondContact O-N 3.38Å; W46-S49 PolarHBondContact O-OG 3.16Å; W46-N50 PolarHBondContact NE1-ND2 3.23Å; W46-N50 PolarHBondContact O-N 2.94Å; W46-N50 PolarHBondContact O-ND2 2.74Å
47E54Low52.4Low95 Ų95107 Ų10744%0.44456%0.558SS.*Hα-helixtrans-61.3-49173.2-72.5-179.6149.300111.2L43 S49 N50 L51L43-E47 PolarHBondContact O-N 2.69Å; E47-S49 VanDerWaalsContact C-N 3.26Å; E47-S49 PolarHBondContact O-N 3.28Å; E47-N50 PolarHBondContact O-N 3.43Å; E47-L51 PolarHBondContact O-N 3.33Å
48R49Very low52.5Low208 Ų208107.6 Ų107.679%0.78556%0.56SS**Hα-helixtrans-61.4-29.6178.6-75.8176.5177.7-177.7-2.2114K44 S45K44-R48 WeakPolarHBondContact O-CB 3.41Å; K44-R48 WeakPolarHBondContact O-CG 3.48Å; K44-R48 PolarHBondContact O-N 3.44Å; K44-R48 VanDerWaalsContact O-N 3.15Å; S45-R48 PolarHBondContact O-N 3.11Å
49S55.8Low52.7Low78 Ų78108.6 Ų108.655%0.54557%0.566SS.*Hα-helixtrans-87.7-13.2-178.644.50000114.4S45 W46 E47S45-S49 PolarHBondContact O-N 2.86Å; S45-S49 VanDerWaalsContact O-N 3.12Å; S45-S49 PolarHBondContact O-OG 3.12Å; W46-S49 WeakPolarHBondContact CA-OG 3.43Å; W46-S49 PolarHBondContact O-N 3.38Å; W46-S49 PolarHBondContact O-OG 3.16Å; E47-S49 VanDerWaalsContact C-N 3.26Å; E47-S49 PolarHBondContact O-N 3.28Å
50N51.9Low53Low106 Ų106109.4 Ų109.457%0.56758%0.575SS**Hα-helixtrans-110.3-3.8179.7-72.5-67.4000114.7W46 E47W46-N50 PolarHBondContact NE1-ND2 3.23Å; W46-N50 PolarHBondContact O-N 2.94Å; W46-N50 PolarHBondContact O-ND2 2.74Å; E47-N50 PolarHBondContact O-N 3.43Å
51L41.3Very low53.9Low147 Ų147112.5 Ų112.577%0.7759%0.589SS**  trans-101.269.5175-83.7155.9000111.3E47E47-L51 PolarHBondContact O-N 3.33Å
52V32.3Very low54.7Low126 Ų126106.9 Ų106.976%0.76457%0.572SS**  trans-130.493.8174-175.20000110.8
53S36.3Very low55.6Low106 Ų106104.2 Ų104.274%0.74155%0.552SS**SBendtrans-161113.7161.358.30000111.2
54E35.3Very low56.8Low201 Ų201107.6 Ų107.694%0.93957%0.567SS**  trans49.691.4160.5-59.8-175152.200118.5
55V40.4Very low58.2Low127 Ų127107.7 Ų107.777%0.7757%0.571SS**  trans-111.5121.4164.6-179.30000109.7
56Q48.8Very low59.2Low184 Ų184105.4 Ų105.486%0.8655%0.552SS**PPolyproline II helixtrans-68.1137.1172-70178.3-22.700110.3M58Q56-M58 PolarHBondContact O-N 3.15Å
57S53.3Low60.7Low106 Ų10698.6 Ų98.674%0.74153%0.528SS*.PPolyproline II helixtrans-63.7128.2-179.959.50000111.7
58M60.6Low62.1Low75 Ų7597 Ų9737%0.36953%0.527SS..PPolyproline II helixtrans-65.9150.1176.7-61.1-149.278.800112.2Q56 A60 L62 F63 L122Q56-M58 PolarHBondContact O-N 3.15Å; M58-A60 PolarHBondContact O-N 2.81Å; M58-L62 HydrophobicContact CE-CD2 3.34Å; M58-L62 HydrophobicContact SD-CD2 3.78Å; M58-F63 HydrophobicContact CB-CE2 4.32Å; M58-F63 HydrophobicContact CB-CZ 4.13Å; M58-L122 HydrophobicContact SD-CD1 3.73Å; M58-L122 HydrophobicContact SD-CG 3.83Å
59P70.4Confident63.5Low88 Ų8891.2 Ų91.257%0.57151%0.512SS*.PPolyproline II helixtrans-61.2134175.9-20.832.7000111.4Q61 L62P59-Q61 PolarHBondContact O-N 3.38Å; P59-Q61 VanDerWaalsContact O-N 3.09Å; P59-L62 WeakPolarHBondContact O-CB 3.4Å; P59-L62 PolarHBondContact O-N 3.19Å
60A71.8Confident64.7Low36 Ų3687.7 Ų87.730%0.29849%0.487SS..Hα-helixtrans-55-32.3179.500000113.2M58 L62 F63 E64M58-A60 PolarHBondContact O-N 2.81Å; A60-L62 PolarHBondContact O-N 3.48Å; A60-F63 PolarHBondContact O-N 3.09Å; A60-F63 VanDerWaalsContact O-N 3.16Å; A60-E64 PolarHBondContact O-N 3.31Å
61Q78Confident66.1Low108 Ų10886 Ų8651%0.50548%0.477SS..Hα-helixtrans-52.1-39.3175.4-169.364.15500112.9P59 F63 E64 D65P59-Q61 PolarHBondContact O-N 3.38Å; P59-Q61 VanDerWaalsContact O-N 3.09Å; Q61-F63 VanDerWaalsContact C-N 3.33Å; Q61-F63 PolarHBondContact O-N 3.38Å; Q61-E64 PolarHBondContact O-N 3.12Å; Q61-E64 VanDerWaalsContact O-N 3.16Å; Q61-D65 PolarHBondContact NE2-OD1 2.93Å; Q61-D65 WeakPolarHBondContact O-CB 3.46Å; Q61-D65 PolarHBondContact O-N 3.47Å
62L79.5Confident68Low59 Ų5983.2 Ų83.231%0.30947%0.466SS..Hα-helixtrans-63.6-40.4-178.2-178.564.3000111.7M58 P59 A60 L66 L122M58-L62 HydrophobicContact CE-CD2 3.34Å; M58-L62 HydrophobicContact SD-CD2 3.78Å; P59-L62 WeakPolarHBondContact O-CB 3.4Å; P59-L62 PolarHBondContact O-N 3.19Å; A60-L62 PolarHBondContact O-N 3.48Å; L62-L66 HydrophobicContact CG-CD1 4.33Å; L62-L66 WeakPolarHBondContact O-CB 3.47Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.13Å; L62-L66 PolarHBondContact O-N 3.32Å; L62-L122 HydrophobicContact CD2-CD1 4.19Å; L62-L122 HydrophobicContact CD2-CD2 4.32Å
63F84.5Confident69.8Low7 Ų777.7 Ų77.73%0.03143%0.434CS..Hα-helixtrans-70.7-34.7176.5-53.2-64.5000111.6M58 A60 Q61 L67 I114 Y119 L122 M125M58-F63 HydrophobicContact CB-CE2 4.32Å; M58-F63 HydrophobicContact CB-CZ 4.13Å; A60-F63 PolarHBondContact O-N 3.09Å; A60-F63 VanDerWaalsContact O-N 3.16Å; Q61-F63 VanDerWaalsContact C-N 3.33Å; Q61-F63 PolarHBondContact O-N 3.38Å; F63-L67 WeakPolarHBondContact O-CB 3.37Å; F63-L67 PolarHBondContact O-N 3.04Å; F63-I114 HydrophobicContact CB-CD1 3.92Å; F63-I114 HydrophobicContact CB-CG1 3.78Å; F63-I114 HydrophobicContact CB-CG2 4.04Å; F63-I114 WeakPolarHBondContact O-CD1 3.36Å; F63-Y119 HydrophobicContact CD1-CD2 4.23Å; F63-Y119 HydrophobicContact CG-CD2 4.27Å; F63-L122 HydrophobicContact CD1-CD2 4.11Å; F63-L122 HydrophobicContact CE1-CD2 3.89Å; F63-L122 HydrophobicContact CE1-CG 4.36Å; F63-M125 HydrophobicContact CB-SD 3.97Å; F63-M125 HydrophobicContact CD1-CB 4.28Å; F63-M125 HydrophobicContact CD1-SD 3.65Å; F63-M125 HydrophobicContact CE1-CB 4.43Å; F63-M125 HydrophobicContact CG-SD 4.27Å
64E84.5Confident71.5Confident97 Ų9775.9 Ų75.945%0.45342%0.418SS..Hα-helixtrans-64.9-43.7173.6-68-171.417700111.8A60 Q61 L67 S68 I114A60-E64 PolarHBondContact O-N 3.31Å; Q61-E64 PolarHBondContact O-N 3.12Å; Q61-E64 VanDerWaalsContact O-N 3.16Å; E64-L67 PolarHBondContact O-N 2.87Å; E64-S68 WeakPolarHBondContact O-CB 3.45Å; E64-S68 PolarHBondContact O-N 2.98Å; E64-I114 HydrophobicContact CG-CG2 3.55Å
65D81.4Confident72.9Confident76 Ų7667 Ų6741%0.40638%0.379SS..Hα-helixtrans-63.6-45.2176.9-63.8-16000111.1Q61 L67 S68 N69Q61-D65 PolarHBondContact NE2-OD1 2.93Å; Q61-D65 WeakPolarHBondContact O-CB 3.46Å; Q61-D65 PolarHBondContact O-N 3.47Å; D65-L67 PolarHBondContact O-N 3.03Å; D65-S68 WeakPolarHBondContact O-CB 3.25Å; D65-S68 PolarHBondContact O-N 2.68Å; D65-N69 PolarHBondContact O-N 3.01Å
66L80.4Confident73.8Confident28 Ų2867.6 Ų67.615%0.14738%0.378CS..Hα-helixtrans-60.6-44.4174.6-74.4170.5000112.1L62 S68 N69 V70 L122 M125L62-L66 HydrophobicContact CG-CD1 4.33Å; L62-L66 WeakPolarHBondContact O-CB 3.47Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.13Å; L62-L66 PolarHBondContact O-N 3.32Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 3Å; L66-N69 PolarHBondContact O-N 3.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 3.32Å; L66-L122 HydrophobicContact CD1-CD2 3.41Å; L66-L122 VanDerWaalsContact CD1-CD2 3.41Å; L66-M125 HydrophobicContact CB-CE 3.77Å; L66-M125 HydrophobicContact CB-SD 4.35Å; L66-M125 HydrophobicContact CD1-SD 4.35Å
67L85.6Confident74.6Confident13 Ų1363 Ų637%0.06836%0.359CS..Hα-helixtrans-66.2-35.6176.2-178.264.2000111.6F63 E64 D65 N69 V70 L71 L107 A111 I114 M125F63-L67 WeakPolarHBondContact O-CB 3.37Å; F63-L67 PolarHBondContact O-N 3.04Å; E64-L67 PolarHBondContact O-N 2.87Å; D65-L67 PolarHBondContact O-N 3.03Å; L67-N69 VanDerWaalsContact C-N 3.31Å; L67-N69 PolarHBondContact O-N 3.1Å; L67-V70 HydrophobicContact CD1-CB 4.44Å; L67-V70 HydrophobicContact CD1-CG2 4.46Å; L67-V70 WeakPolarHBondContact O-CB 3.24Å; L67-V70 PolarHBondContact O-N 3.27Å; L67-L71 HydrophobicContact CD1-CD1 4.47Å; L67-L71 HydrophobicContact CD1-CG 4.35Å; L67-L71 HydrophobicContact CD2-CD1 4.36Å; L67-L71 HydrophobicContact CG-CD1 3.92Å; L67-L71 HydrophobicContact CG-CG 4.26Å; L67-L71 WeakPolarHBondContact O-CB 3.45Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.65Å; L67-L107 HydrophobicContact CD1-CD2 4.05Å; L67-A111 HydrophobicContact CD2-CB 3.66Å; L67-I114 HydrophobicContact CB-CD1 3.83Å; L67-I114 HydrophobicContact CD2-CD1 3.76Å; L67-I114 HydrophobicContact CG-CD1 4.37Å; L67-M125 HydrophobicContact CB-CE 4.32Å
68S82.9Confident75.6Confident61 Ų6160.7 Ų60.743%0.42735%0.352SS..Hα-helixtrans-60-40.8174.8-167.70000111.8E64 D65 L66 V70 L71 T72E64-S68 WeakPolarHBondContact O-CB 3.45Å; E64-S68 PolarHBondContact O-N 2.98Å; D65-S68 WeakPolarHBondContact O-CB 3.25Å; D65-S68 PolarHBondContact O-N 2.68Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 3Å; S68-V70 PolarHBondContact O-N 3.04Å; S68-L71 PolarHBondContact O-N 3.25Å; S68-T72 WeakPolarHBondContact O-CG2 3.43Å; S68-T72 PolarHBondContact O-N 2.9Å; S68-T72 PolarHBondContact O-OG1 3.05Å
69N79.2Confident76.1Confident87 Ų8764.3 Ų64.347%0.46536%0.361SS..Hα-helixtrans-62.6-40.6173.9-67.1-18.2000111.9D65 L66 L67 T72 A73D65-N69 PolarHBondContact O-N 3.01Å; L66-N69 PolarHBondContact O-N 3.49Å; L67-N69 VanDerWaalsContact C-N 3.31Å; L67-N69 PolarHBondContact O-N 3.1Å; N69-T72 PolarHBondContact O-OG1 3.41Å; N69-A73 PolarHBondContact O-N 3.25Å
70V79.8Confident76.5Confident4 Ų464.2 Ų64.22%0.02436%0.356CS..Hα-helixtrans-61.6-44.6172.8-1710000111.2L66 L67 S68 T72 A73 L107 M129 V157L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 3.32Å; L67-V70 HydrophobicContact CD1-CB 4.44Å; L67-V70 HydrophobicContact CD1-CG2 4.46Å; L67-V70 WeakPolarHBondContact O-CB 3.24Å; L67-V70 PolarHBondContact O-N 3.27Å; S68-V70 PolarHBondContact O-N 3.04Å; V70-T72 VanDerWaalsContact C-N 3.32Å; V70-T72 PolarHBondContact O-N 3.06Å; V70-A73 WeakPolarHBondContact O-CB 3.32Å; V70-L107 HydrophobicContact CG1-CD1 3.94Å; V70-L107 HydrophobicContact CG1-CD2 3.77Å; V70-M129 HydrophobicContact CG1-CE 4.13Å; V70-M129 HydrophobicContact CG2-CE 4.04Å; V70-M129 HydrophobicContact CG2-SD 4.43Å; V70-V157 HydrophobicContact CB-CG2 4.45Å; V70-V157 HydrophobicContact CG2-CG1 4.42Å; V70-V157 HydrophobicContact CG2-CG2 3.43Å; V70-V157 VanDerWaalsContact CG2-CG2 3.43Å
71L82Confident76.5Confident70 Ų7062.6 Ų62.637%0.36634%0.342SS..Hα-helixtrans-71.7-25.5-173.6-72171.7000113.1L67 S68 C82 L107L67-L71 HydrophobicContact CD1-CD1 4.47Å; L67-L71 HydrophobicContact CD1-CG 4.35Å; L67-L71 HydrophobicContact CD2-CD1 4.36Å; L67-L71 HydrophobicContact CG-CD1 3.92Å; L67-L71 HydrophobicContact CG-CG 4.26Å; L67-L71 WeakPolarHBondContact O-CB 3.45Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.65Å; S68-L71 PolarHBondContact O-N 3.25Å; L71-C82 HydrophobicContact CD2-CB 3.96Å; L71-C82 PolarHBondContact O-SG 3.18Å; L71-L107 HydrophobicContact CD2-CD1 4.09Å
72T80.7Confident76.6Confident88 Ų8858 Ų5854%0.5432%0.322SS..Hα-helixtrans-98.3-8.5179.853.60000114S68 N69 V70S68-T72 WeakPolarHBondContact O-CG2 3.43Å; S68-T72 PolarHBondContact O-N 2.9Å; S68-T72 PolarHBondContact O-OG1 3.05Å; N69-T72 PolarHBondContact O-OG1 3.41Å; V70-T72 VanDerWaalsContact C-N 3.32Å; V70-T72 PolarHBondContact O-N 3.06Å
73A70.3Confident76.6Confident10 Ų1061.3 Ų61.38%0.08334%0.335CS..  trans-57.8137.4177.100000113.2N69 V70 L80 I81 L156N69-A73 PolarHBondContact O-N 3.25Å; V70-A73 WeakPolarHBondContact O-CB 3.32Å; A73-L80 WeakPolarHBondContact O-CA 3.39Å; A73-I81 HydrophobicContact CB-CB 3.96Å; A73-I81 HydrophobicContact CB-CD1 4.14Å; A73-I81 HydrophobicContact CB-CG1 4.49Å; A73-I81 HydrophobicContact CB-CG2 4.18Å; A73-I81 WeakPolarHBondContact O-CB 3.31Å; A73-I81 PolarHBondContact O-N 3.08Å; A73-L156 HydrophobicContact CB-CD1 3.58Å
74V71.6Confident76.2Confident68 Ų6865.9 Ų65.941%0.41235%0.353SS..BIsolated β-bridgetrans-122.4144.7176.4-67.40000113.4R79 L80 I81 R152V74-R79 CarbonylContact C-O 3.23Å; V74-R79 WeakPolarHBondContact CA-O 3.48Å; V74-L80 HydrophobicContact CG1-CD2 3.96Å; V74-I81 WeakPolarHBondContact O-CD1 3.19Å; V74-R152 PolarHBondContact O-NE 2.88Å
75S64.1Low76.3Confident15 Ų1562.2 Ų62.211%0.10534%0.335CS..  trans-76.5170.5170.141.10000111.4D77 G78 R79S75-D77 VanDerWaalsContact CB-OD1 3.29Å; S75-D77 WeakPolarHBondContact CB-OD1 3.4Å; S75-D77 PolarHBondContact O-N 2.71Å; S75-D77 VanDerWaalsContact O-N 3.12Å; S75-D77 PolarHBondContact OG-OD1 3.43Å; S75-G78 PolarHBondContact O-N 3.09Å; S75-R79 PolarHBondContact N-O 2.84Å; S75-R79 PolarHBondContact OG-O 3.45Å; S75-R79 VanDerWaalsContact OG-O 3.1Å
76D61.2Low76.4Confident140 Ų14065 Ų6575%0.74934%0.343SS*.THydrogen-bonded Turntrans-63.3-17.5-177.7-61-54.4000113.9R152D76-R152 IonicContact OD1-CZ 3.74Å; D76-R152 IonicContact OD1-NH1 2.66Å; D76-R152 PolarHBondContact OD1-NH1 2.91Å; D76-R152 IonicContact OD1-NH2 3.79Å; D76-R152 PolarHBondContact OD1-NH2 3.48Å; D76-R152 IonicContact OD2-CZ 2.72Å; D76-R152 IonicContact OD2-NH1 3.99Å; D76-R152 PolarHBondContact OD2-NH1 2.96Å; D76-R152 IonicContact OD2-NH2 3.86Å
77D65.4Low76.7Confident88 Ų8867.7 Ų67.747%0.47136%0.361SS..THydrogen-bonded Turntrans-91.69.3172.468.8-18.6000113.7S75 R79S75-D77 VanDerWaalsContact CB-OD1 3.29Å; S75-D77 WeakPolarHBondContact CB-OD1 3.4Å; S75-D77 PolarHBondContact O-N 2.71Å; S75-D77 VanDerWaalsContact O-N 3.12Å; S75-D77 PolarHBondContact OG-OD1 3.43Å; D77-R79 VanDerWaalsContact C-N 3.3Å; D77-R79 PolarHBondContact O-N 2.95Å; D77-R79 PolarHBondContact OD1-N 3.45Å; D77-R79 VanDerWaalsContact OD2-CD 3.31Å; D77-R79 WeakPolarHBondContact OD2-CD 3.44Å; D77-R79 IonicContact OD2-CZ 2.74Å; D77-R79 IonicContact OD2-NE 3.67Å; D77-R79 IonicContact OD2-NH1 2.68Å; D77-R79 PolarHBondContact OD2-NH1 2.87Å
78G72.8Confident76.6Confident57 Ų5768.8 Ų68.859%0.58837%0.37SS*.SBendtrans77.34.6176.100000115.7S75S75-G78 PolarHBondContact O-N 3.09Å
79R72.9Confident76.7Confident150 Ų15068.6 Ų68.657%0.56636%0.364SS*.  trans-79.8147.6177.1-64.2-177.3173.9127.6-8.1111.7V74 S75 D77 I81V74-R79 CarbonylContact C-O 3.23Å; V74-R79 WeakPolarHBondContact CA-O 3.48Å; S75-R79 PolarHBondContact N-O 2.84Å; S75-R79 PolarHBondContact OG-O 3.45Å; S75-R79 VanDerWaalsContact OG-O 3.1Å; D77-R79 VanDerWaalsContact C-N 3.3Å; D77-R79 PolarHBondContact O-N 2.95Å; D77-R79 PolarHBondContact OD1-N 3.45Å; D77-R79 VanDerWaalsContact OD2-CD 3.31Å; D77-R79 WeakPolarHBondContact OD2-CD 3.44Å; D77-R79 IonicContact OD2-CZ 2.74Å; D77-R79 IonicContact OD2-NE 3.67Å; D77-R79 IonicContact OD2-NH1 2.68Å; D77-R79 PolarHBondContact OD2-NH1 2.87Å; R79-I81 PolarHBondContact O-N 3.32Å
80L77.1Confident76.9Confident87 Ų8767.4 Ų67.446%0.45536%0.361SS..BIsolated β-bridgetrans-69.2119.5175.9-74172.6000111.1A73 V74 C82 Q83A73-L80 WeakPolarHBondContact O-CA 3.39Å; V74-L80 HydrophobicContact CG1-CD2 3.96Å; L80-C82 VanDerWaalsContact C-N 3.25Å; L80-C82 PolarHBondContact O-N 2.78Å; L80-Q83 VanDerWaalsContact O-CB 3.27Å; L80-Q83 WeakPolarHBondContact O-CB 3.14Å; L80-Q83 PolarHBondContact O-N 2.73Å; L80-Q83 VanDerWaalsContact O-N 3.16Å
81I71.6Confident77Confident2 Ų273.2 Ų73.21%0.0139%0.386CS..G310 helixtrans-59.5-36.9-179.5-81.3179.9000112A73 V74 R79 Q83 V149 R152 C153 L156A73-I81 HydrophobicContact CB-CB 3.96Å; A73-I81 HydrophobicContact CB-CD1 4.14Å; A73-I81 HydrophobicContact CB-CG1 4.49Å; A73-I81 HydrophobicContact CB-CG2 4.18Å; A73-I81 WeakPolarHBondContact O-CB 3.31Å; A73-I81 PolarHBondContact O-N 3.08Å; V74-I81 WeakPolarHBondContact O-CD1 3.19Å; R79-I81 PolarHBondContact O-N 3.32Å; I81-Q83 PolarHBondContact O-N 3.1Å; I81-Q83 VanDerWaalsContact O-N 3.14Å; I81-V149 HydrophobicContact CB-CG1 3.82Å; I81-V149 HydrophobicContact CD1-CG1 4.25Å; I81-V149 HydrophobicContact CG1-CG1 3.66Å; I81-V149 HydrophobicContact CG1-CG2 4.35Å; I81-V149 HydrophobicContact CG2-CG1 3.45Å; I81-V149 VanDerWaalsContact CG2-CG1 3.45Å; I81-R152 HydrophobicContact CD1-CB 4.05Å; I81-R152 HydrophobicContact CD1-CG 3.75Å; I81-C153 WeakPolarHBondContact CG2-SG 3.43Å; I81-L156 HydrophobicContact CD1-CD1 4.07Å
82C82Confident76.9Confident12 Ų1277.5 Ų77.58%0.08140%0.404CS..G310 helixtrans-64.2-16.4-179.768.60000114.3L71 L80 W84 F85 K86 L107L71-C82 HydrophobicContact CD2-CB 3.96Å; L71-C82 PolarHBondContact O-SG 3.18Å; L80-C82 VanDerWaalsContact C-N 3.25Å; L80-C82 PolarHBondContact O-N 2.78Å; C82-W84 VanDerWaalsContact C-N 3.25Å; C82-W84 PolarHBondContact O-N 3.1Å; C82-F85 PolarHBondContact O-N 2.95Å; C82-F85 VanDerWaalsContact O-N 3.1Å; C82-K86 PolarHBondContact O-N 3.04Å; C82-K86 VanDerWaalsContact O-N 3.14Å; C82-L107 HydrophobicContact CB-CD1 3.57Å
83Q79.2Confident76.6Confident127 Ų12779.2 Ų79.259%0.59341%0.409SS*.G310 helixtrans-60.1-33.2-173.4-172.3174.87.400112.9L80 I81L80-Q83 VanDerWaalsContact O-CB 3.27Å; L80-Q83 WeakPolarHBondContact O-CB 3.14Å; L80-Q83 PolarHBondContact O-N 2.73Å; L80-Q83 VanDerWaalsContact O-N 3.16Å; I81-Q83 PolarHBondContact O-N 3.1Å; I81-Q83 VanDerWaalsContact O-N 3.14Å
84W76.3Confident77.2Confident104 Ų10483.6 Ų83.639%0.39442%0.424SS..G310 helixtrans-84.2-12-178.8-56.5-23.2000114.2C82 T145 A146 V149C82-W84 VanDerWaalsContact C-N 3.25Å; C82-W84 PolarHBondContact O-N 3.1Å; W84-T145 HydrophobicContact CH2-CG2 3.53Å; W84-T145 HydrophobicContact CZ2-CG2 4.41Å; W84-T145 HydrophobicContact CZ3-CG2 4.25Å; W84-T145 VanDerWaalsContact CZ3-O 3.27Å; W84-T145 WeakPolarHBondContact CZ3-O 3.45Å; W84-A146 HydrophobicContact CE3-CB 4.28Å; W84-V149 HydrophobicContact CE3-CB 3.83Å; W84-V149 HydrophobicContact CE3-CG1 4.12Å; W84-V149 HydrophobicContact CE3-CG2 4.03Å; W84-V149 HydrophobicContact CH2-CB 4.35Å; W84-V149 HydrophobicContact CH2-CG2 3.65Å; W84-V149 HydrophobicContact CZ3-CB 3.41Å; W84-V149 VanDerWaalsContact CZ3-CB 3.41Å; W84-V149 HydrophobicContact CZ3-CG1 4.12Å; W84-V149 HydrophobicContact CZ3-CG2 3.2Å
85F85.3Confident77.8Confident20 Ų2083.7 Ų83.79%0.08843%0.426CS..THydrogen-bonded Turntrans-118.57.5-175-59.2-66.9000112.9C82 V87 D106 L107 L132 A136 V149C82-F85 PolarHBondContact O-N 2.95Å; C82-F85 VanDerWaalsContact O-N 3.1Å; F85-V87 PolarHBondContact O-N 3.2Å; F85-D106 WeakPolarHBondContact O-CA 3.49Å; F85-D106 WeakPolarHBondContact O-CB 3.44Å; F85-L107 HydrophobicContact CB-CD1 3.98Å; F85-L107 HydrophobicContact CB-CG 3.98Å; F85-L107 WeakPolarHBondContact O-CG 3.46Å; F85-L107 PolarHBondContact O-N 3.25Å; F85-L132 HydrophobicContact CB-CD1 4.13Å; F85-L132 HydrophobicContact CB-CD2 4.02Å; F85-L132 HydrophobicContact CB-CG 4.28Å; F85-L132 HydrophobicContact CD1-CD2 3.55Å; F85-L132 HydrophobicContact CD1-CG 3.96Å; F85-L132 HydrophobicContact CD2-CD2 4.16Å; F85-L132 HydrophobicContact CE1-CD2 4.01Å; F85-L132 HydrophobicContact CG-CD2 3.64Å; F85-L132 HydrophobicContact CG-CG 4.26Å; F85-L132 HydrophobicContact CZ-CD2 4.48Å; F85-A136 HydrophobicContact CE1-CB 3.73Å; F85-A136 HydrophobicContact CZ-CB 4.04Å; F85-V149 HydrophobicContact CE2-CG1 4.2Å
86K83.8Confident78.7Confident133 Ų13389.3 Ų89.358%0.57845%0.451SS*.SBendtrans-66.1-36.8-169.1-168.5175.2179.4176.20114C82 Q108C82-K86 PolarHBondContact O-N 3.04Å; C82-K86 VanDerWaalsContact O-N 3.14Å; K86-Q108 VanDerWaalsContact O-CB 3.23Å; K86-Q108 WeakPolarHBondContact O-CB 3.45Å; K86-Q108 PolarHBondContact O-N 3.27Å
87V86.4Confident79.8Confident85 Ų8583.7 Ų83.752%0.51542%0.419SS..SBendtrans-148.6143.5-174.9-171.60000108.6F85F85-V87 PolarHBondContact O-N 3.2Å
88S83.8Confident81Confident37 Ų3782.5 Ų82.526%0.25941%0.409SS..PPolyproline II helixtrans-54142.5170.5-74.50000112.6D106S88-D106 WeakPolarHBondContact CB-OD2 3.41Å; S88-D106 VanDerWaalsContact N-CG 3.31Å; S88-D106 PolarHBondContact N-OD2 3.36Å; S88-D106 PolarHBondContact OG-OD2 2.89Å
89L84.5Confident81.5Confident56 Ų5683.9 Ų83.929%0.29341%0.414SS..PPolyproline II helixtrans-63.3139.7177.7-64.8176.1000111.2K91 Y94 Y97 Y98L89-K91 PolarHBondContact O-N 3.01Å; L89-Y94 HydrophobicContact CB-CD2 3.73Å; L89-Y94 HydrophobicContact CB-CE2 4.4Å; L89-Y94 HydrophobicContact CB-CG 4.01Å; L89-Y94 HydrophobicContact CD1-CD1 4.21Å; L89-Y94 HydrophobicContact CD1-CD2 4.41Å; L89-Y94 HydrophobicContact CD1-CG 4.05Å; L89-Y94 HydrophobicContact CD2-CD2 4.23Å; L89-Y94 HydrophobicContact CD2-CE2 4.11Å; L89-Y94 HydrophobicContact CG-CD2 4.35Å; L89-Y94 HydrophobicContact CG-CG 4.47Å; L89-Y97 HydrophobicContact CD1-CD1 4.47Å; L89-Y97 HydrophobicContact CD1-CD2 3.73Å; L89-Y97 HydrophobicContact CD1-CE2 4.12Å; L89-Y97 HydrophobicContact CD1-CG 3.93Å; L89-Y98 WeakPolarHBondContact O-CE2 3.37Å; L89-Y98 VanDerWaalsContact O-CZ 3.31Å; L89-Y98 PolarHBondContact O-OH 2.85Å
90P83.7Confident81.8Confident63 Ų6379.4 Ų79.441%0.40941%0.405SS..PPolyproline II helixtrans-61.9124176.3-25.235.4000112E92 L93 Y94P90-E92 PolarHBondContact O-N 3.16Å; P90-L93 HydrophobicContact CB-CB 4.33Å; P90-L93 HydrophobicContact CB-CD1 4.13Å; P90-L93 HydrophobicContact CB-CG 4.22Å; P90-L93 HydrophobicContact CG-CD1 4.2Å; P90-L93 PolarHBondContact O-N 2.96Å; P90-Y94 PolarHBondContact O-N 2.88Å
91K83.2Confident82.1Confident125 Ų12575.5 Ų75.554%0.54339%0.385SS..THydrogen-bonded Turntrans-64.2-25.8-174.3-173.2166.7-175.4169.90113L89 L93 Y98L89-K91 PolarHBondContact O-N 3.01Å; K91-L93 VanDerWaalsContact C-N 3.31Å; K91-Y98 VanDerWaalsContact CA-CE2 3.49Å; K91-Y98 HydrophobicContact CB-CD2 3.88Å; K91-Y98 HydrophobicContact CB-CE2 3.68Å; K91-Y98 HydrophobicContact CB-CG 4.41Å; K91-Y98 HydrophobicContact CD-CD1 4.1Å; K91-Y98 HydrophobicContact CD-CD2 4.34Å; K91-Y98 HydrophobicContact CD-CE1 4.42Å; K91-Y98 HydrophobicContact CD-CG 4.04Å; K91-Y98 HydrophobicContact CG-CD1 4.36Å; K91-Y98 HydrophobicContact CG-CD2 3.71Å; K91-Y98 HydrophobicContact CG-CE2 4.05Å; K91-Y98 HydrophobicContact CG-CG 3.88Å
92E78.6Confident82.7Confident161 Ų16184.5 Ų84.575%0.75243%0.427SS*.THydrogen-bonded Turntrans-71.3-26.8176.7-58.767.1-145.600112.4P90P90-E92 PolarHBondContact O-N 3.16Å
93L74.7Confident83Confident124 Ų12490.2 Ų90.265%0.64945%0.453SS*.THydrogen-bonded Turntrans-100-31.4-179.4-62.7179.2000112.5P90 K91 P95P90-L93 HydrophobicContact CB-CB 4.33Å; P90-L93 HydrophobicContact CB-CD1 4.13Å; P90-L93 HydrophobicContact CB-CG 4.22Å; P90-L93 HydrophobicContact CG-CD1 4.2Å; P90-L93 PolarHBondContact O-N 2.96Å; K91-L93 VanDerWaalsContact C-N 3.31Å; L93-P95 WeakPolarHBondContact O-CD 3.36Å
94Y82.3Confident83.5Confident102 Ų10286.1 Ų86.140%0.444%0.437SS..  trans-122.453.3-175.3-60-86.6000112.9L89 P90 E96 Y97 Y98L89-Y94 HydrophobicContact CB-CD2 3.73Å; L89-Y94 HydrophobicContact CB-CE2 4.4Å; L89-Y94 HydrophobicContact CB-CG 4.01Å; L89-Y94 HydrophobicContact CD1-CD1 4.21Å; L89-Y94 HydrophobicContact CD1-CD2 4.41Å; L89-Y94 HydrophobicContact CD1-CG 4.05Å; L89-Y94 HydrophobicContact CD2-CD2 4.23Å; L89-Y94 HydrophobicContact CD2-CE2 4.11Å; L89-Y94 HydrophobicContact CG-CD2 4.35Å; L89-Y94 HydrophobicContact CG-CG 4.47Å; P90-Y94 PolarHBondContact O-N 2.88Å; Y94-E96 PolarHBondContact O-N 3.39Å; Y94-Y97 WeakPolarHBondContact O-CB 3.43Å; Y94-Y97 PolarHBondContact O-N 2.83Å; Y94-Y97 VanDerWaalsContact O-N 3.07Å; Y94-Y98 WeakPolarHBondContact O-CD2 3.42Å
95P84.4Confident84.1Confident70 Ų7082.2 Ų82.246%0.45542%0.423SS..THydrogen-bonded Turntrans-60-29.9-179.327.2-35.6000112.6L93 Y97 Y98 A99L93-P95 WeakPolarHBondContact O-CD 3.36Å; P95-Y97 VanDerWaalsContact C-N 3.33Å; P95-Y97 PolarHBondContact O-N 2.85Å; P95-Y98 CarbonylContact O-C 3.59Å; P95-Y98 PolarHBondContact O-N 2.85Å; P95-A99 WeakPolarHBondContact O-CB 3.28Å; P95-A99 PolarHBondContact O-N 2.78Å; P95-A99 VanDerWaalsContact O-N 3.11Å
96E83.7Confident84.4Confident133 Ų13381.5 Ų81.562%0.62142%0.42SS*.THydrogen-bonded Turntrans-60.3-40.3176-42.1-64.3170.300111.8Y94 A99 C100 F139Y94-E96 PolarHBondContact O-N 3.39Å; E96-A99 WeakPolarHBondContact O-CB 3.41Å; E96-A99 PolarHBondContact O-N 2.72Å; E96-A99 VanDerWaalsContact O-N 3.1Å; E96-C100 PolarHBondContact O-N 3.44Å; E96-C100 PolarHBondContact O-SG 2.79Å; E96-C100 VanDerWaalsContact O-SG 3.41Å; E96-F139 HydrophobicContact CB-CE2 4.43Å
97Y85.4Confident84.7Confident22 Ų2275.4 Ų75.49%0.08639%0.394CS..Hα-helixtrans-61.5-49177.4179-89.2000110.6L89 Y94 P95 A99 C100 I101 P104 F139L89-Y97 HydrophobicContact CD1-CD1 4.47Å; L89-Y97 HydrophobicContact CD1-CD2 3.73Å; L89-Y97 HydrophobicContact CD1-CE2 4.12Å; L89-Y97 HydrophobicContact CD1-CG 3.93Å; Y94-Y97 WeakPolarHBondContact O-CB 3.43Å; Y94-Y97 PolarHBondContact O-N 2.83Å; Y94-Y97 VanDerWaalsContact O-N 3.07Å; P95-Y97 VanDerWaalsContact C-N 3.33Å; P95-Y97 PolarHBondContact O-N 2.85Å; Y97-A99 PolarHBondContact O-N 3.02Å; Y97-A99 VanDerWaalsContact O-N 3.16Å; Y97-C100 PolarHBondContact O-N 3.18Å; Y97-I101 HydrophobicContact CD1-CB 4.26Å; Y97-I101 HydrophobicContact CD1-CG1 4.31Å; Y97-I101 HydrophobicContact CD2-CG1 3.93Å; Y97-I101 HydrophobicContact CE1-CB 4.02Å; Y97-I101 HydrophobicContact CE1-CG1 4.13Å; Y97-I101 HydrophobicContact CE1-CG2 4.03Å; Y97-I101 HydrophobicContact CE2-CG1 3.75Å; Y97-I101 HydrophobicContact CG-CG1 4.21Å; Y97-I101 VanDerWaalsContact O-CB 3.27Å; Y97-I101 WeakPolarHBondContact O-CB 3.3Å; Y97-I101 WeakPolarHBondContact O-CG1 3.4Å; Y97-I101 PolarHBondContact O-N 2.8Å; Y97-P104 HydrophobicContact CE1-CB 4.08Å; Y97-P104 HydrophobicContact CE1-CG 4.14Å; Y97-F139 HydrophobicContact CD2-CB 4.01Å; Y97-F139 AromaticContact CD2-CD1 3.78Å; Y97-F139 HydrophobicContact CD2-CD1 3.78Å; Y97-F139 AromaticContact CD2-CD2 3.78Å; Y97-F139 HydrophobicContact CD2-CD2 3.78Å; Y97-F139 HydrophobicContact CD2-CE1 4.14Å; Y97-F139 HydrophobicContact CD2-CE2 4.16Å; Y97-F139 AromaticContact CD2-CG 3.58Å; Y97-F139 HydrophobicContact CD2-CG 3.58Å; Y97-F139 HydrophobicContact CD2-CZ 4.32Å; Y97-F139 HydrophobicContact CE2-CB 4.23Å; Y97-F139 HydrophobicContact CE2-CD1 4.43Å; Y97-F139 HydrophobicContact CE2-CG 4.24Å; Y97-F139 HydrophobicContact CG-CD2 4.38Å; Y97-F139 HydrophobicContact CG-CE2 4.45Å
98Y88.7Confident84.9Confident63 Ų6376.3 Ų76.325%0.24739%0.393CS..Hα-helixtrans-73.41.4176.7-66.6-90000114.1L89 K91 Y94 P95 P104L89-Y98 WeakPolarHBondContact O-CE2 3.37Å; L89-Y98 VanDerWaalsContact O-CZ 3.31Å; L89-Y98 PolarHBondContact O-OH 2.85Å; K91-Y98 VanDerWaalsContact CA-CE2 3.49Å; K91-Y98 HydrophobicContact CB-CD2 3.88Å; K91-Y98 HydrophobicContact CB-CE2 3.68Å; K91-Y98 HydrophobicContact CB-CG 4.41Å; K91-Y98 HydrophobicContact CD-CD1 4.1Å; K91-Y98 HydrophobicContact CD-CD2 4.34Å; K91-Y98 HydrophobicContact CD-CE1 4.42Å; K91-Y98 HydrophobicContact CD-CG 4.04Å; K91-Y98 HydrophobicContact CG-CD1 4.36Å; K91-Y98 HydrophobicContact CG-CD2 3.71Å; K91-Y98 HydrophobicContact CG-CE2 4.05Å; K91-Y98 HydrophobicContact CG-CG 3.88Å; Y94-Y98 WeakPolarHBondContact O-CD2 3.42Å; P95-Y98 CarbonylContact O-C 3.59Å; P95-Y98 PolarHBondContact O-N 2.85Å; Y98-P104 HydrophobicContact CD1-CG 3.78Å; Y98-P104 HydrophobicContact CE1-CB 4.23Å; Y98-P104 HydrophobicContact CE1-CG 3.58Å
99A83.2Confident85.4Confident85 Ų8576.1 Ų76.170%0.70239%0.39SS*.Hα-helixtrans-100.4-20172.500000112.8P95 E96 Y97P95-A99 WeakPolarHBondContact O-CB 3.28Å; P95-A99 PolarHBondContact O-N 2.78Å; P95-A99 VanDerWaalsContact O-N 3.11Å; E96-A99 WeakPolarHBondContact O-CB 3.41Å; E96-A99 PolarHBondContact O-N 2.72Å; E96-A99 VanDerWaalsContact O-N 3.1Å; Y97-A99 PolarHBondContact O-N 3.02Å; Y97-A99 VanDerWaalsContact O-N 3.16Å
100C79.8Confident85.7Confident56 Ų5673.4 Ų73.438%0.37838%0.376SS..Hα-helixtrans-115.9-15.6176.565.80000114.5E96 Y97 M138E96-C100 PolarHBondContact O-N 3.44Å; E96-C100 PolarHBondContact O-SG 2.79Å; E96-C100 VanDerWaalsContact O-SG 3.41Å; Y97-C100 PolarHBondContact O-N 3.18Å; C100-M138 WeakPolarHBondContact O-CE 3.37Å
101I84Confident86.1Confident5 Ų571.9 Ų71.93%0.02637%0.368CS..  trans-107.5112.9175.6-56.8-49.3000109.1Y97 P104 N135 M138 F139Y97-I101 HydrophobicContact CD1-CB 4.26Å; Y97-I101 HydrophobicContact CD1-CG1 4.31Å; Y97-I101 HydrophobicContact CD2-CG1 3.93Å; Y97-I101 HydrophobicContact CE1-CB 4.02Å; Y97-I101 HydrophobicContact CE1-CG1 4.13Å; Y97-I101 HydrophobicContact CE1-CG2 4.03Å; Y97-I101 HydrophobicContact CE2-CG1 3.75Å; Y97-I101 HydrophobicContact CG-CG1 4.21Å; Y97-I101 VanDerWaalsContact O-CB 3.27Å; Y97-I101 WeakPolarHBondContact O-CB 3.3Å; Y97-I101 WeakPolarHBondContact O-CG1 3.4Å; Y97-I101 PolarHBondContact O-N 2.8Å; I101-P104 HydrophobicContact CG2-CG 4.3Å; I101-N135 HydrophobicContact CD1-CB 4.16Å; I101-N135 HydrophobicContact CG1-CB 4.43Å; I101-N135 HydrophobicContact CG2-CB 4Å; I101-N135 VanDerWaalsContact CG2-CG 3.4Å; I101-N135 WeakPolarHBondContact CG2-OD1 3.28Å; I101-M138 HydrophobicContact CD1-CB 3.66Å; I101-M138 HydrophobicContact CD1-CE 4.39Å; I101-M138 HydrophobicContact CD1-SD 4.49Å; I101-F139 HydrophobicContact CD1-CB 4.47Å
102E83.4Confident86.5Confident192 Ų19272 Ų7290%0.89737%0.365SS*.SBendtrans-75.9-41.9-178.2-62.5-175.3162.900112.3P104E102-P104 WeakPolarHBondContact O-CD 3.5Å
103E88Confident87.2Confident132 Ų13267.1 Ų67.162%0.61734%0.342SS*.SBendtrans-121.784-178.4-62.1-173.1171.600111.5M105 L131 N135E103-M105 PolarHBondContact O-N 2.89Å; E103-L131 HydrophobicContact CB-CD1 4.11Å; E103-L131 HydrophobicContact CB-CD2 3.81Å; E103-L131 WeakPolarHBondContact O-CD1 3.45Å; E103-L131 WeakPolarHBondContact O-CD2 3.38Å; E103-N135 PolarHBondContact O-ND2 2.86Å
104P90.1Very high87.9Confident40 Ų4061.6 Ų61.626%0.2631%0.313SS..  trans-55.2136.2173.5-27.636.2000112.7Y97 Y98 I101 E102Y97-P104 HydrophobicContact CE1-CB 4.08Å; Y97-P104 HydrophobicContact CE1-CG 4.14Å; Y98-P104 HydrophobicContact CD1-CG 3.78Å; Y98-P104 HydrophobicContact CE1-CB 4.23Å; Y98-P104 HydrophobicContact CE1-CG 3.58Å; I101-P104 HydrophobicContact CG2-CG 4.3Å; E102-P104 WeakPolarHBondContact O-CD 3.5Å
105M89.9Confident88.2Confident22 Ų2266 Ų6611%0.10833%0.329CS..  trans-140140.7179.8-173.453.565.100111.1E103 T109 M110 D128 L131 L132E103-M105 PolarHBondContact O-N 2.89Å; M105-T109 HydrophobicContact CE-CG2 4.26Å; M105-T109 HydrophobicContact SD-CG2 3.81Å; M105-M110 HydrophobicContact SD-CG 4.01Å; M105-D128 HydrophobicContact CE-CB 4.31Å; M105-D128 WeakPolarHBondContact CE-OD2 3.47Å; M105-D128 HydrophobicContact CG-CB 4.38Å; M105-D128 WeakPolarHBondContact CG-O 3.37Å; M105-D128 HydrophobicContact SD-CB 4.32Å; M105-L131 HydrophobicContact CB-CB 4.42Å; M105-L131 HydrophobicContact CB-CD2 3.95Å; M105-L131 HydrophobicContact CB-CG 3.92Å; M105-L131 HydrophobicContact CE-CD2 4.08Å; M105-L131 HydrophobicContact CG-CD2 4.5Å; M105-L132 HydrophobicContact CB-CB 4.22Å; M105-L132 HydrophobicContact CG-CB 3.97Å; M105-L132 HydrophobicContact CG-CD1 4.5Å
106D91.2Very high88.5Confident5 Ų568.1 Ų68.13%0.02734%0.336CS..  trans-149.6161.3-178.169.866.2000111.3F85 S88 Q108 T109 M110F85-D106 WeakPolarHBondContact O-CA 3.49Å; F85-D106 WeakPolarHBondContact O-CB 3.44Å; S88-D106 WeakPolarHBondContact CB-OD2 3.41Å; S88-D106 VanDerWaalsContact N-CG 3.31Å; S88-D106 PolarHBondContact N-OD2 3.36Å; S88-D106 PolarHBondContact OG-OD2 2.89Å; D106-Q108 VanDerWaalsContact C-N 3.3Å; D106-Q108 PolarHBondContact O-N 2.86Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.42Å; D106-Q108 VanDerWaalsContact OD1-CB 3.31Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.29Å; D106-Q108 PolarHBondContact OD1-N 2.98Å; D106-T109 WeakPolarHBondContact O-CB 3.42Å; D106-T109 PolarHBondContact O-N 3.01Å; D106-T109 VanDerWaalsContact O-N 3.1Å; D106-T109 PolarHBondContact OD1-N 3.36Å; D106-T109 PolarHBondContact OD1-OG1 2.92Å; D106-T109 PolarHBondContact OD2-OG1 2.8Å; D106-T109 VanDerWaalsContact OD2-OG1 3.1Å; D106-M110 PolarHBondContact O-N 2.85Å
107L90.5Very high88.6Confident6 Ų671.6 Ų71.63%0.03134%0.343CS..Hα-helixtrans-67.4-26.6-175.5-61.3175.8000113.1L67 V70 L71 C82 F85 T109 M110 A111 M129 L132L67-L107 HydrophobicContact CD1-CD2 4.05Å; V70-L107 HydrophobicContact CG1-CD1 3.94Å; V70-L107 HydrophobicContact CG1-CD2 3.77Å; L71-L107 HydrophobicContact CD2-CD1 4.09Å; C82-L107 HydrophobicContact CB-CD1 3.57Å; F85-L107 HydrophobicContact CB-CD1 3.98Å; F85-L107 HydrophobicContact CB-CG 3.98Å; F85-L107 WeakPolarHBondContact O-CG 3.46Å; F85-L107 PolarHBondContact O-N 3.25Å; L107-T109 VanDerWaalsContact C-N 3.35Å; L107-M110 HydrophobicContact CD2-SD 3.98Å; L107-A111 VanDerWaalsContact O-CB 3.28Å; L107-A111 WeakPolarHBondContact O-CB 3.48Å; L107-A111 PolarHBondContact O-N 3.42Å; L107-M129 HydrophobicContact CD2-CE 3.66Å; L107-L132 HydrophobicContact CD2-CD1 3.68Å; L107-L132 HydrophobicContact CG-CD1 4.02Å
108Q90.4Very high88.8Confident104 Ų10472.8 Ų72.849%0.48636%0.358SS..Hα-helixtrans-71.4-32.4172.9-178.6179.825.700111.4K86 D106 R112K86-Q108 VanDerWaalsContact O-CB 3.23Å; K86-Q108 WeakPolarHBondContact O-CB 3.45Å; K86-Q108 PolarHBondContact O-N 3.27Å; D106-Q108 VanDerWaalsContact C-N 3.3Å; D106-Q108 PolarHBondContact O-N 2.86Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.42Å; D106-Q108 VanDerWaalsContact OD1-CB 3.31Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.29Å; D106-Q108 PolarHBondContact OD1-N 2.98Å; Q108-R112 WeakPolarHBondContact O-CB 3.29Å; Q108-R112 PolarHBondContact O-N 3Å
109T93Very high88.6Confident32 Ų3270.2 Ų70.220%0.19635%0.348CS..Hα-helixtrans-72.8-42.3173.4-64.10000110.9M105 D106 L107 R112 K113M105-T109 HydrophobicContact CE-CG2 4.26Å; M105-T109 HydrophobicContact SD-CG2 3.81Å; D106-T109 WeakPolarHBondContact O-CB 3.42Å; D106-T109 PolarHBondContact O-N 3.01Å; D106-T109 VanDerWaalsContact O-N 3.1Å; D106-T109 PolarHBondContact OD1-N 3.36Å; D106-T109 PolarHBondContact OD1-OG1 2.92Å; D106-T109 PolarHBondContact OD2-OG1 2.8Å; D106-T109 VanDerWaalsContact OD2-OG1 3.1Å; L107-T109 VanDerWaalsContact C-N 3.35Å; T109-R112 WeakPolarHBondContact O-CB 3.39Å; T109-R112 PolarHBondContact O-N 3.5Å; T109-R112 PolarHBondContact OG1-NH2 2.91Å; T109-K113 PolarHBondContact O-N 3.39Å
110M91.9Very high88.5Confident0 Ų073.8 Ų73.80%035%0.347CS..Hα-helixtrans-59.3-46.9169.4-65.6-171.375.400112.2M105 D106 L107 R112 K113 I114 Y119 M125 D128 M129 L132M105-M110 HydrophobicContact SD-CG 4.01Å; D106-M110 PolarHBondContact O-N 2.85Å; L107-M110 HydrophobicContact CD2-SD 3.98Å; M110-R112 PolarHBondContact O-N 3.32Å; M110-K113 WeakPolarHBondContact O-CB 3.36Å; M110-K113 PolarHBondContact O-N 3Å; M110-I114 WeakPolarHBondContact O-CG1 3.43Å; M110-I114 PolarHBondContact O-N 2.82Å; M110-Y119 VanDerWaalsContact CE-OH 3.3Å; M110-Y119 WeakPolarHBondContact CE-OH 3.26Å; M110-Y119 WeakPolarHBondContact CG-OH 3.43Å; M110-M125 HydrophobicContact CE-CE 3.96Å; M110-M125 HydrophobicContact CE-CG 3.7Å; M110-D128 HydrophobicContact CE-CB 4.02Å; M110-D128 HydrophobicContact CG-CB 4.23Å; M110-D128 HydrophobicContact SD-CB 4.41Å; M110-M129 HydrophobicContact CE-CE 4Å; M110-M129 HydrophobicContact CE-CG 3.83Å; M110-M129 HydrophobicContact SD-CE 3.51Å; M110-M129 VanDerWaalsContact SD-CE 3.51Å; M110-M129 HydrophobicContact SD-CG 4.44Å; M110-L132 HydrophobicContact SD-CD1 4.17Å
111A91.1Very high88.4Confident30 Ų3072.3 Ų72.325%0.24834%0.338CS..Hα-helixtrans-58.3-36.2175.900000112.5L67 L107 R115L67-A111 HydrophobicContact CD2-CB 3.66Å; L107-A111 VanDerWaalsContact O-CB 3.28Å; L107-A111 WeakPolarHBondContact O-CB 3.48Å; L107-A111 PolarHBondContact O-N 3.42Å; A111-R115 WeakPolarHBondContact O-CB 3.17Å; A111-R115 PolarHBondContact O-N 3.34Å
112R92.1Very high88Confident128 Ų12872.6 Ų72.648%0.48334%0.339SS..Hα-helixtrans-69-40.5174.9-160.3-170.2-38-174.412.7111.6Q108 T109 M110 R115 N116Q108-R112 WeakPolarHBondContact O-CB 3.29Å; Q108-R112 PolarHBondContact O-N 3Å; T109-R112 WeakPolarHBondContact O-CB 3.39Å; T109-R112 PolarHBondContact O-N 3.5Å; T109-R112 PolarHBondContact OG1-NH2 2.91Å; M110-R112 PolarHBondContact O-N 3.32Å; R112-R115 PolarHBondContact O-N 2.99Å; R112-N116 VanDerWaalsContact O-CB 3.25Å; R112-N116 WeakPolarHBondContact O-CB 3.31Å; R112-N116 PolarHBondContact O-N 2.91Å; R112-N116 PolarHBondContact O-OD1 2.74Å
113K93Very high87.3Confident59 Ų5967.6 Ų67.626%0.25732%0.318SS..Hα-helixtrans-63.2-40.3174.1-76.9179.171.5174.30111.6T109 M110 N116 R117 A118 Y119 D128T109-K113 PolarHBondContact O-N 3.39Å; M110-K113 WeakPolarHBondContact O-CB 3.36Å; M110-K113 PolarHBondContact O-N 3Å; K113-N116 CarbonylContact O-C 3.57Å; K113-N116 PolarHBondContact O-N 3.22Å; K113-R117 PolarHBondContact O-N 3.16Å; K113-R117 VanDerWaalsContact O-N 3.13Å; K113-A118 HydrophobicContact CB-CB 3.91Å; K113-A118 HydrophobicContact CG-CB 4.03Å; K113-A118 WeakPolarHBondContact O-CB 3.13Å; K113-A118 PolarHBondContact O-N 3.48Å; K113-Y119 HydrophobicContact CB-CE1 4.18Å; K113-Y119 HydrophobicContact CB-CE2 4.19Å; K113-Y119 HydrophobicContact CD-CE1 4.15Å; K113-Y119 VanDerWaalsContact CE-CE1 3.44Å; K113-D128 WeakPolarHBondContact CD-OD2 3.28Å; K113-D128 VanDerWaalsContact CE-OD2 3.27Å; K113-D128 WeakPolarHBondContact CE-OD2 3.39Å; K113-D128 IonicContact NZ-OD1 2.71Å; K113-D128 PolarHBondContact NZ-OD1 2.9Å; K113-D128 IonicContact NZ-OD2 2.71Å; K113-D128 PolarHBondContact NZ-OD2 3.41Å
114I89.7Confident87Confident8 Ų864.1 Ų64.14%0.04130%0.304CS..Hα-helixtrans-62.8-53.3174.2-63.5167.4000111F63 E64 L67 M110 N116 R117 Y119 M125F63-I114 HydrophobicContact CB-CD1 3.92Å; F63-I114 HydrophobicContact CB-CG1 3.78Å; F63-I114 HydrophobicContact CB-CG2 4.04Å; F63-I114 WeakPolarHBondContact O-CD1 3.36Å; E64-I114 HydrophobicContact CG-CG2 3.55Å; L67-I114 HydrophobicContact CB-CD1 3.83Å; L67-I114 HydrophobicContact CD2-CD1 3.76Å; L67-I114 HydrophobicContact CG-CD1 4.37Å; M110-I114 WeakPolarHBondContact O-CG1 3.43Å; M110-I114 PolarHBondContact O-N 2.82Å; I114-N116 PolarHBondContact O-N 2.66Å; I114-R117 PolarHBondContact O-N 2.97Å; I114-Y119 HydrophobicContact CD1-CE2 4.25Å; I114-Y119 HydrophobicContact CG1-CD2 3.71Å; I114-Y119 HydrophobicContact CG1-CE2 3.57Å; I114-M125 HydrophobicContact CD1-CE 4.49Å
115R88.5Confident86.7Confident195 Ų19562.2 Ų62.274%0.73629%0.292SS*.Hα-helixtrans-56-38.4178.4-173-176.2-60.1159.23.5112.7A111 R112 R117A111-R115 WeakPolarHBondContact O-CB 3.17Å; A111-R115 PolarHBondContact O-N 3.34Å; R112-R115 PolarHBondContact O-N 2.99Å; R115-R117 VanDerWaalsContact C-N 3.28Å; R115-R117 PolarHBondContact O-N 3.27Å
116N90.1Very high86.1Confident113 Ų11362.5 Ų62.560%0.60429%0.293SS*.THydrogen-bonded Turntrans-84.94.9179.3-65.2-0.3000113.5R112 K113 I114 A118R112-N116 VanDerWaalsContact O-CB 3.25Å; R112-N116 WeakPolarHBondContact O-CB 3.31Å; R112-N116 PolarHBondContact O-N 2.91Å; R112-N116 PolarHBondContact O-OD1 2.74Å; K113-N116 CarbonylContact O-C 3.57Å; K113-N116 PolarHBondContact O-N 3.22Å; I114-N116 PolarHBondContact O-N 2.66Å; N116-A118 VanDerWaalsContact C-N 3.25Å; N116-A118 PolarHBondContact O-N 2.86Å
117R87.3Confident85.5Confident207 Ų20765.6 Ų65.678%0.78132%0.315SS*.THydrogen-bonded Turntrans52.439.8-176.5-56.8-176178.6-170.3-1113.5K113 I114 R115K113-R117 PolarHBondContact O-N 3.16Å; K113-R117 VanDerWaalsContact O-N 3.13Å; I114-R117 PolarHBondContact O-N 2.97Å; R115-R117 VanDerWaalsContact C-N 3.28Å; R115-R117 PolarHBondContact O-N 3.27Å
118A88.3Confident85.3Confident47 Ų4766 Ų6639%0.38832%0.317SS..  trans-82.5-20.3-176.900000113.8K113 N116K113-A118 HydrophobicContact CB-CB 3.91Å; K113-A118 HydrophobicContact CG-CB 4.03Å; K113-A118 WeakPolarHBondContact O-CB 3.13Å; K113-A118 PolarHBondContact O-N 3.48Å; N116-A118 VanDerWaalsContact C-N 3.25Å; N116-A118 PolarHBondContact O-N 2.86Å
119Y86.2Confident84.9Confident9 Ų961.2 Ų61.24%0.03530%0.295CS..  trans-84129.7168.8-58.1-45.2000110F63 M110 K113 I114 D124 M125 D128F63-Y119 HydrophobicContact CD1-CD2 4.23Å; F63-Y119 HydrophobicContact CG-CD2 4.27Å; M110-Y119 VanDerWaalsContact CE-OH 3.3Å; M110-Y119 WeakPolarHBondContact CE-OH 3.26Å; M110-Y119 WeakPolarHBondContact CG-OH 3.43Å; K113-Y119 HydrophobicContact CB-CE1 4.18Å; K113-Y119 HydrophobicContact CB-CE2 4.19Å; K113-Y119 HydrophobicContact CD-CE1 4.15Å; K113-Y119 VanDerWaalsContact CE-CE1 3.44Å; I114-Y119 HydrophobicContact CD1-CE2 4.25Å; I114-Y119 HydrophobicContact CG1-CD2 3.71Å; I114-Y119 HydrophobicContact CG1-CE2 3.57Å; Y119-D124 HydrophobicContact CD1-CB 3.72Å; Y119-D124 WeakPolarHBondContact CE1-O 3.49Å; Y119-D124 HydrophobicContact CG-CB 4.41Å; Y119-M125 HydrophobicContact CD1-CB 4.18Å; Y119-M125 HydrophobicContact CD2-CB 3.89Å; Y119-M125 HydrophobicContact CD2-CG 4.15Å; Y119-M125 HydrophobicContact CD2-SD 4.25Å; Y119-M125 HydrophobicContact CE1-CB 4.15Å; Y119-M125 HydrophobicContact CE2-CB 3.87Å; Y119-M125 HydrophobicContact CE2-CG 3.73Å; Y119-M125 HydrophobicContact CE2-SD 4.04Å; Y119-M125 HydrophobicContact CG-CB 4.05Å; Y119-D128 HydrophobicContact CE1-CB 4.25Å; Y119-D128 WeakPolarHBondContact OH-CB 3.5Å; Y119-D128 PolarHBondContact OH-OD2 3.11Å; Y119-D128 VanDerWaalsContact OH-OD2 3.09Å
120K79.4Confident83.9Confident160 Ų16063.5 Ų63.570%0.69631%0.305SS*.SBendtrans-106.2-37.4177.5-58.5175.7-178.3174.60111.1D124K120-D124 WeakPolarHBondContact CA-OD2 3.4Å; K120-D124 WeakPolarHBondContact CB-OD2 3.14Å; K120-D124 PolarHBondContact N-OD2 2.78Å
121S78.9Confident83.5Confident25 Ų2565 Ų6518%0.17531%0.313CS..SBendtrans-120.7171.4171.274.80000111.8D123 D124S121-D123 VanDerWaalsContact C-N 3.26Å; S121-D123 WeakPolarHBondContact CB-OD2 3.36Å; S121-D123 WeakPolarHBondContact OG-CB 3.32Å; S121-D123 PolarHBondContact OG-N 3.16Å; S121-D123 PolarHBondContact OG-OD2 3Å; S121-D124 PolarHBondContact N-OD2 3.28Å; S121-D124 PolarHBondContact O-N 2.98Å; S121-D124 PolarHBondContact OG-N 2.99Å
122L74.3Confident83Confident11 Ų1163.8 Ų63.86%0.05830%0.302CS..Hα-helixtrans-67.9-28.2168.7-75.2164.6000111.7M58 L62 F63 L66 D124 M125 E126 Y161M58-L122 HydrophobicContact SD-CD1 3.73Å; M58-L122 HydrophobicContact SD-CG 3.83Å; L62-L122 HydrophobicContact CD2-CD1 4.19Å; L62-L122 HydrophobicContact CD2-CD2 4.32Å; F63-L122 HydrophobicContact CD1-CD2 4.11Å; F63-L122 HydrophobicContact CE1-CD2 3.89Å; F63-L122 HydrophobicContact CE1-CG 4.36Å; L66-L122 HydrophobicContact CD1-CD2 3.41Å; L66-L122 VanDerWaalsContact CD1-CD2 3.41Å; L122-D124 PolarHBondContact O-N 3.49Å; L122-M125 CarbonylContact O-C 3.51Å; L122-M125 PolarHBondContact O-N 2.87Å; L122-M125 VanDerWaalsContact O-N 3.08Å; L122-E126 WeakPolarHBondContact O-CB 3.38Å; L122-E126 PolarHBondContact O-N 3.36Å; L122-Y161 HydrophobicContact CB-CE1 4.17Å; L122-Y161 HydrophobicContact CB-CE2 4.39Å; L122-Y161 HydrophobicContact CD1-CD2 3.86Å; L122-Y161 HydrophobicContact CD1-CE1 4.45Å; L122-Y161 HydrophobicContact CD1-CE2 3.26Å; L122-Y161 HydrophobicContact CG-CE2 4.44Å
123D70.4Confident82Confident86 Ų8657.8 Ų57.846%0.4628%0.28SS..Hα-helixtrans-61.2-33.1174.7-33-57.5000111.9S121 S127S121-D123 VanDerWaalsContact C-N 3.26Å; S121-D123 WeakPolarHBondContact CB-OD2 3.36Å; S121-D123 WeakPolarHBondContact OG-CB 3.32Å; S121-D123 PolarHBondContact OG-N 3.16Å; S121-D123 PolarHBondContact OG-OD2 3Å; D123-S127 VanDerWaalsContact O-CB 3.31Å; D123-S127 WeakPolarHBondContact O-CB 3.47Å; D123-S127 PolarHBondContact O-N 3.44Å; D123-S127 PolarHBondContact O-OG 2.6Å
124D81.6Confident80.9Confident59 Ų5957.6 Ų57.632%0.31628%0.284SS..Hα-helixtrans-66.4-37.5175.2-61.3-42.7000111.6Y119 K120 S121 L122 D128Y119-D124 HydrophobicContact CD1-CB 3.72Å; Y119-D124 WeakPolarHBondContact CE1-O 3.49Å; Y119-D124 HydrophobicContact CG-CB 4.41Å; K120-D124 WeakPolarHBondContact CA-OD2 3.4Å; K120-D124 WeakPolarHBondContact CB-OD2 3.14Å; K120-D124 PolarHBondContact N-OD2 2.78Å; S121-D124 PolarHBondContact N-OD2 3.28Å; S121-D124 PolarHBondContact O-N 2.98Å; S121-D124 PolarHBondContact OG-N 2.99Å; L122-D124 PolarHBondContact O-N 3.49Å; D124-D128 PolarHBondContact O-N 3.46Å
125M83.6Confident80.5Confident0 Ų057.5 Ų57.50%028%0.283CS..Hα-helixtrans-79.7-34.5177.3-176.4169.8172.300112F63 L66 L67 M110 I114 Y119 L122 S127 D128 M129F63-M125 HydrophobicContact CB-SD 3.97Å; F63-M125 HydrophobicContact CD1-CB 4.28Å; F63-M125 HydrophobicContact CD1-SD 3.65Å; F63-M125 HydrophobicContact CE1-CB 4.43Å; F63-M125 HydrophobicContact CG-SD 4.27Å; L66-M125 HydrophobicContact CB-CE 3.77Å; L66-M125 HydrophobicContact CB-SD 4.35Å; L66-M125 HydrophobicContact CD1-SD 4.35Å; L67-M125 HydrophobicContact CB-CE 4.32Å; M110-M125 HydrophobicContact CE-CE 3.96Å; M110-M125 HydrophobicContact CE-CG 3.7Å; I114-M125 HydrophobicContact CD1-CE 4.49Å; Y119-M125 HydrophobicContact CD1-CB 4.18Å; Y119-M125 HydrophobicContact CD2-CB 3.89Å; Y119-M125 HydrophobicContact CD2-CG 4.15Å; Y119-M125 HydrophobicContact CD2-SD 4.25Å; Y119-M125 HydrophobicContact CE1-CB 4.15Å; Y119-M125 HydrophobicContact CE2-CB 3.87Å; Y119-M125 HydrophobicContact CE2-CG 3.73Å; Y119-M125 HydrophobicContact CE2-SD 4.04Å; Y119-M125 HydrophobicContact CG-CB 4.05Å; L122-M125 CarbonylContact O-C 3.51Å; L122-M125 PolarHBondContact O-N 2.87Å; L122-M125 VanDerWaalsContact O-N 3.08Å; M125-S127 VanDerWaalsContact C-N 3.34Å; M125-D128 PolarHBondContact O-N 2.91Å; M125-M129 WeakPolarHBondContact O-CB 3.46Å; M125-M129 PolarHBondContact O-N 3.47Å
126E75.7Confident79.8Confident29 Ų2948.5 Ų48.514%0.13625%0.251CS..Hα-helixtrans-63.1-41.2171.6-174.7175.9-155.900110.7L122 D128 M129 L130 F158 Y162L122-E126 WeakPolarHBondContact O-CB 3.38Å; L122-E126 PolarHBondContact O-N 3.36Å; E126-D128 PolarHBondContact O-N 2.77Å; E126-M129 WeakPolarHBondContact O-CB 3.3Å; E126-M129 PolarHBondContact O-N 2.96Å; E126-L130 HydrophobicContact CG-CD1 3.85Å; E126-L130 HydrophobicContact CG-CG 4.15Å; E126-L130 VanDerWaalsContact O-CB 3.3Å; E126-L130 WeakPolarHBondContact O-CB 3.31Å; E126-L130 VanDerWaalsContact O-CG 3.28Å; E126-L130 WeakPolarHBondContact O-CG 3.5Å; E126-L130 PolarHBondContact O-N 2.59Å; E126-F158 HydrophobicContact CB-CE1 4.2Å; E126-F158 HydrophobicContact CB-CE2 4.38Å; E126-F158 HydrophobicContact CB-CZ 3.73Å; E126-F158 HydrophobicContact CG-CE1 4.46Å; E126-F158 HydrophobicContact CG-CE2 4.09Å; E126-F158 HydrophobicContact CG-CZ 3.92Å; E126-Y162 PolarHBondContact OE1-OH 3.13Å
127S79Confident78.7Confident70 Ų7044.1 Ų44.149%0.4923%0.232SC..Hα-helixtrans-58.6-46175.4-62.20000111.9D123 M125 L130 L131D123-S127 VanDerWaalsContact O-CB 3.31Å; D123-S127 WeakPolarHBondContact O-CB 3.47Å; D123-S127 PolarHBondContact O-N 3.44Å; D123-S127 PolarHBondContact O-OG 2.6Å; M125-S127 VanDerWaalsContact C-N 3.34Å; S127-L130 PolarHBondContact O-N 2.62Å; S127-L131 VanDerWaalsContact O-CB 3.28Å; S127-L131 WeakPolarHBondContact O-CB 3.31Å; S127-L131 PolarHBondContact O-N 2.97Å
128D87.5Confident78Confident13 Ų1339.6 Ų39.67%0.0722%0.222CC..Hα-helixtrans-67.3-38.6175.7-84.334.6000112.8M105 M110 K113 Y119 D124 M125 E126 L131 L132M105-D128 HydrophobicContact CE-CB 4.31Å; M105-D128 WeakPolarHBondContact CE-OD2 3.47Å; M105-D128 HydrophobicContact CG-CB 4.38Å; M105-D128 WeakPolarHBondContact CG-O 3.37Å; M105-D128 HydrophobicContact SD-CB 4.32Å; M110-D128 HydrophobicContact CE-CB 4.02Å; M110-D128 HydrophobicContact CG-CB 4.23Å; M110-D128 HydrophobicContact SD-CB 4.41Å; K113-D128 WeakPolarHBondContact CD-OD2 3.28Å; K113-D128 VanDerWaalsContact CE-OD2 3.27Å; K113-D128 WeakPolarHBondContact CE-OD2 3.39Å; K113-D128 IonicContact NZ-OD1 2.71Å; K113-D128 PolarHBondContact NZ-OD1 2.9Å; K113-D128 IonicContact NZ-OD2 2.71Å; K113-D128 PolarHBondContact NZ-OD2 3.41Å; Y119-D128 HydrophobicContact CE1-CB 4.25Å; Y119-D128 WeakPolarHBondContact OH-CB 3.5Å; Y119-D128 PolarHBondContact OH-OD2 3.11Å; Y119-D128 VanDerWaalsContact OH-OD2 3.09Å; D124-D128 PolarHBondContact O-N 3.46Å; M125-D128 PolarHBondContact O-N 2.91Å; E126-D128 PolarHBondContact O-N 2.77Å; D128-L131 PolarHBondContact O-N 2.94Å; D128-L132 VanDerWaalsContact O-CB 3.31Å; D128-L132 WeakPolarHBondContact O-CB 3.32Å; D128-L132 PolarHBondContact O-N 2.93Å
129M80.6Confident77.6Confident4 Ų440.9 Ų40.92%0.0222%0.219CC..Hα-helixtrans-61.2-47.6173.1-97.1-77.9115.400111.6V70 L107 M110 M125 E126 L131 L132 C133 V157 F158V70-M129 HydrophobicContact CG1-CE 4.13Å; V70-M129 HydrophobicContact CG2-CE 4.04Å; V70-M129 HydrophobicContact CG2-SD 4.43Å; L107-M129 HydrophobicContact CD2-CE 3.66Å; M110-M129 HydrophobicContact CE-CE 4Å; M110-M129 HydrophobicContact CE-CG 3.83Å; M110-M129 HydrophobicContact SD-CE 3.51Å; M110-M129 VanDerWaalsContact SD-CE 3.51Å; M110-M129 HydrophobicContact SD-CG 4.44Å; M125-M129 WeakPolarHBondContact O-CB 3.46Å; M125-M129 PolarHBondContact O-N 3.47Å; E126-M129 WeakPolarHBondContact O-CB 3.3Å; E126-M129 PolarHBondContact O-N 2.96Å; M129-L131 VanDerWaalsContact C-N 3.3Å; M129-L131 PolarHBondContact O-N 2.82Å; M129-L132 HydrophobicContact CE-CD1 4.27Å; M129-L132 HydrophobicContact CE-CD2 4.41Å; M129-L132 PolarHBondContact O-N 3.17Å; M129-C133 VanDerWaalsContact O-CB 3.31Å; M129-C133 WeakPolarHBondContact O-CB 3.28Å; M129-C133 PolarHBondContact O-N 3.24Å; M129-C133 PolarHBondContact O-SG 3.26Å; M129-V157 HydrophobicContact CG-CG1 4.21Å; M129-V157 HydrophobicContact SD-CB 4.35Å; M129-V157 HydrophobicContact SD-CG1 4.2Å; M129-V157 HydrophobicContact SD-CG2 3.88Å; M129-F158 HydrophobicContact CB-CE2 4.14Å; M129-F158 HydrophobicContact CB-CZ 4.48Å; M129-F158 HydrophobicContact CG-CE2 4.2Å; M129-F158 HydrophobicContact CG-CZ 4.43Å
130L73.1Confident76.9Confident80 Ų8043.2 Ų43.242%0.41923%0.232SC..Hα-helixtrans-65.8-32.7177.3-73.7173.5000111.6E126 S127 T134E126-L130 HydrophobicContact CG-CD1 3.85Å; E126-L130 HydrophobicContact CG-CG 4.15Å; E126-L130 VanDerWaalsContact O-CB 3.3Å; E126-L130 WeakPolarHBondContact O-CB 3.31Å; E126-L130 VanDerWaalsContact O-CG 3.28Å; E126-L130 WeakPolarHBondContact O-CG 3.5Å; E126-L130 PolarHBondContact O-N 2.59Å; S127-L130 PolarHBondContact O-N 2.62Å; L130-T134 VanDerWaalsContact O-CB 3.22Å; L130-T134 WeakPolarHBondContact O-CB 3.46Å; L130-T134 PolarHBondContact O-N 3.49Å; L130-T134 PolarHBondContact O-OG1 3.31Å
131L83.9Confident76.1Confident33 Ų3342.8 Ų42.817%0.17323%0.232CC..Hα-helixtrans-69.6-49.7174.8179.859.9000111.6E103 M105 S127 D128 M129 C133 T134 N135E103-L131 HydrophobicContact CB-CD1 4.11Å; E103-L131 HydrophobicContact CB-CD2 3.81Å; E103-L131 WeakPolarHBondContact O-CD1 3.45Å; E103-L131 WeakPolarHBondContact O-CD2 3.38Å; M105-L131 HydrophobicContact CB-CB 4.42Å; M105-L131 HydrophobicContact CB-CD2 3.95Å; M105-L131 HydrophobicContact CB-CG 3.92Å; M105-L131 HydrophobicContact CE-CD2 4.08Å; M105-L131 HydrophobicContact CG-CD2 4.5Å; S127-L131 VanDerWaalsContact O-CB 3.28Å; S127-L131 WeakPolarHBondContact O-CB 3.31Å; S127-L131 PolarHBondContact O-N 2.97Å; D128-L131 PolarHBondContact O-N 2.94Å; M129-L131 VanDerWaalsContact C-N 3.3Å; M129-L131 PolarHBondContact O-N 2.82Å; L131-C133 PolarHBondContact O-N 3.35Å; L131-T134 PolarHBondContact O-N 3.21Å; L131-T134 VanDerWaalsContact O-N 3.15Å; L131-N135 WeakPolarHBondContact CD1-OD1 3.47Å; L131-N135 VanDerWaalsContact O-CB 3.31Å; L131-N135 WeakPolarHBondContact O-CB 3.23Å; L131-N135 PolarHBondContact O-N 3.48Å; L131-N135 PolarHBondContact O-ND2 3.06Å; L131-N135 PolarHBondContact O-OD1 3.13Å
132L80.5Confident74.8Confident3 Ų344.4 Ų44.42%0.01624%0.242CC..Hα-helixtrans-53.1-40.9173-178.4150.2000111.4F85 M105 L107 M110 D128 M129 A136F85-L132 HydrophobicContact CB-CD1 4.13Å; F85-L132 HydrophobicContact CB-CD2 4.02Å; F85-L132 HydrophobicContact CB-CG 4.28Å; F85-L132 HydrophobicContact CD1-CD2 3.55Å; F85-L132 HydrophobicContact CD1-CG 3.96Å; F85-L132 HydrophobicContact CD2-CD2 4.16Å; F85-L132 HydrophobicContact CE1-CD2 4.01Å; F85-L132 HydrophobicContact CG-CD2 3.64Å; F85-L132 HydrophobicContact CG-CG 4.26Å; F85-L132 HydrophobicContact CZ-CD2 4.48Å; M105-L132 HydrophobicContact CB-CB 4.22Å; M105-L132 HydrophobicContact CG-CB 3.97Å; M105-L132 HydrophobicContact CG-CD1 4.5Å; L107-L132 HydrophobicContact CD2-CD1 3.68Å; L107-L132 HydrophobicContact CG-CD1 4.02Å; M110-L132 HydrophobicContact SD-CD1 4.17Å; D128-L132 VanDerWaalsContact O-CB 3.31Å; D128-L132 WeakPolarHBondContact O-CB 3.32Å; D128-L132 PolarHBondContact O-N 2.93Å; M129-L132 HydrophobicContact CE-CD1 4.27Å; M129-L132 HydrophobicContact CE-CD2 4.41Å; M129-L132 PolarHBondContact O-N 3.17Å; L132-A136 PolarHBondContact O-N 3.44Å
133C69.6Low73.8Confident2 Ų249.9 Ų49.91%0.01427%0.267CS..Hα-helixtrans-68-56.2173.4-69.90000111.8M129 L131 N135 A136 G137 F150 V154M129-C133 VanDerWaalsContact O-CB 3.31Å; M129-C133 WeakPolarHBondContact O-CB 3.28Å; M129-C133 PolarHBondContact O-N 3.24Å; M129-C133 PolarHBondContact O-SG 3.26Å; L131-C133 PolarHBondContact O-N 3.35Å; C133-N135 VanDerWaalsContact C-N 3.27Å; C133-N135 PolarHBondContact O-N 3.21Å; C133-A136 WeakPolarHBondContact O-CA 3.31Å; C133-A136 VanDerWaalsContact O-CB 3.23Å; C133-A136 WeakPolarHBondContact O-CB 3.35Å; C133-A136 PolarHBondContact O-N 3.05Å; C133-G137 PolarHBondContact O-N 3.45Å; C133-F150 VanDerWaalsContact C-CD2 3.42Å; C133-F150 VanDerWaalsContact CA-CD2 3.46Å; C133-F150 HydrophobicContact CB-CD2 3.47Å; C133-F150 VanDerWaalsContact CB-CD2 3.47Å; C133-F150 HydrophobicContact CB-CE2 3.4Å; C133-F150 HydrophobicContact CB-CZ 4.36Å; C133-F150 WeakPolarHBondContact O-CD2 3.46Å; C133-F150 WeakPolarHBondContact O-CE2 3.48Å; C133-V154 HydrophobicContact CB-CG2 4.32Å; C133-V154 VanDerWaalsContact SG-CG2 3.58Å
134T70Confident73.5Confident55 Ų5547.2 Ų47.234%0.33726%0.255SS..Hα-helixtrans-57.7-41-175.7-59.90000111.6L130 L131 A136 G137 M138L130-T134 VanDerWaalsContact O-CB 3.22Å; L130-T134 WeakPolarHBondContact O-CB 3.46Å; L130-T134 PolarHBondContact O-N 3.49Å; L130-T134 PolarHBondContact O-OG1 3.31Å; L131-T134 PolarHBondContact O-N 3.21Å; L131-T134 VanDerWaalsContact O-N 3.15Å; T134-A136 VanDerWaalsContact C-N 3.29Å; T134-A136 PolarHBondContact O-N 3.5Å; T134-G137 PolarHBondContact O-N 3.35Å; T134-G137 VanDerWaalsContact O-N 3.15Å; T134-M138 HydrophobicContact CG2-CG 4.24Å; T134-M138 HydrophobicContact CG2-SD 3.88Å; T134-M138 WeakPolarHBondContact O-CB 3.4Å; T134-M138 WeakPolarHBondContact O-CG 3.49Å; T134-M138 PolarHBondContact O-N 3.24Å
135N82.9Confident72.6Confident6 Ų648.8 Ų48.83%0.03227%0.267CS..Hα-helixtrans-60.1-38.2174.9-66-14.9000112.5I101 E103 L131 C133 F139I101-N135 HydrophobicContact CD1-CB 4.16Å; I101-N135 HydrophobicContact CG1-CB 4.43Å; I101-N135 HydrophobicContact CG2-CB 4Å; I101-N135 VanDerWaalsContact CG2-CG 3.4Å; I101-N135 WeakPolarHBondContact CG2-OD1 3.28Å; E103-N135 PolarHBondContact O-ND2 2.86Å; L131-N135 WeakPolarHBondContact CD1-OD1 3.47Å; L131-N135 VanDerWaalsContact O-CB 3.31Å; L131-N135 WeakPolarHBondContact O-CB 3.23Å; L131-N135 PolarHBondContact O-N 3.48Å; L131-N135 PolarHBondContact O-ND2 3.06Å; L131-N135 PolarHBondContact O-OD1 3.13Å; C133-N135 VanDerWaalsContact C-N 3.27Å; C133-N135 PolarHBondContact O-N 3.21Å; N135-F139 WeakPolarHBondContact O-CB 3.28Å; N135-F139 PolarHBondContact O-N 2.87Å; N135-F139 VanDerWaalsContact O-N 3.11Å
136A73.6Confident71.6Confident7 Ų749.6 Ų49.66%0.05827%0.274CS..Hα-helixtrans-66-42.7175.400000111.8F85 L132 C133 T134 N140 F150F85-A136 HydrophobicContact CE1-CB 3.73Å; F85-A136 HydrophobicContact CZ-CB 4.04Å; L132-A136 PolarHBondContact O-N 3.44Å; C133-A136 WeakPolarHBondContact O-CA 3.31Å; C133-A136 VanDerWaalsContact O-CB 3.23Å; C133-A136 WeakPolarHBondContact O-CB 3.35Å; C133-A136 PolarHBondContact O-N 3.05Å; T134-A136 VanDerWaalsContact C-N 3.29Å; T134-A136 PolarHBondContact O-N 3.5Å; A136-N140 WeakPolarHBondContact O-CB 3.42Å; A136-N140 PolarHBondContact O-N 3.17Å; A136-N140 PolarHBondContact O-ND2 3.47Å; A136-F150 HydrophobicContact CB-CD2 4.32Å
137G66.6Low70.8Confident20 Ų2048.3 Ų48.321%0.20627%0.268CS..Hα-helixtrans-72.9-26.6178.200000114.3C133 T134C133-G137 PolarHBondContact O-N 3.45Å; T134-G137 PolarHBondContact O-N 3.35Å; T134-G137 VanDerWaalsContact O-N 3.15Å
138M73.2Confident69.8Low113 Ų11351.4 Ų51.456%0.55727%0.273SS*.Hα-helixtrans-78.3-35.3175.2-76.81806400113C100 I101 T134C100-M138 WeakPolarHBondContact O-CE 3.37Å; I101-M138 HydrophobicContact CD1-CB 3.66Å; I101-M138 HydrophobicContact CD1-CE 4.39Å; I101-M138 HydrophobicContact CD1-SD 4.49Å; T134-M138 HydrophobicContact CG2-CG 4.24Å; T134-M138 HydrophobicContact CG2-SD 3.88Å; T134-M138 WeakPolarHBondContact O-CB 3.4Å; T134-M138 WeakPolarHBondContact O-CG 3.49Å; T134-M138 PolarHBondContact O-N 3.24Å
139F79.5Confident68.7Low74 Ų7451 Ų5133%0.32527%0.271SS..Hα-helixtrans-90.2-33.5-177.4-172.8-109.7000114.3E96 Y97 I101 N135E96-F139 HydrophobicContact CB-CE2 4.43Å; Y97-F139 HydrophobicContact CD2-CB 4.01Å; Y97-F139 AromaticContact CD2-CD1 3.78Å; Y97-F139 HydrophobicContact CD2-CD1 3.78Å; Y97-F139 AromaticContact CD2-CD2 3.78Å; Y97-F139 HydrophobicContact CD2-CD2 3.78Å; Y97-F139 HydrophobicContact CD2-CE1 4.14Å; Y97-F139 HydrophobicContact CD2-CE2 4.16Å; Y97-F139 AromaticContact CD2-CG 3.58Å; Y97-F139 HydrophobicContact CD2-CG 3.58Å; Y97-F139 HydrophobicContact CD2-CZ 4.32Å; Y97-F139 HydrophobicContact CE2-CB 4.23Å; Y97-F139 HydrophobicContact CE2-CD1 4.43Å; Y97-F139 HydrophobicContact CE2-CG 4.24Å; Y97-F139 HydrophobicContact CG-CD2 4.38Å; Y97-F139 HydrophobicContact CG-CE2 4.45Å; I101-F139 HydrophobicContact CD1-CB 4.47Å; N135-F139 WeakPolarHBondContact O-CB 3.28Å; N135-F139 PolarHBondContact O-N 2.87Å; N135-F139 VanDerWaalsContact O-N 3.11Å
140N71.9Confident67.9Low58 Ų5851.6 Ų51.631%0.3127%0.273SS..SBendtrans-102.2156-175.1-56.4-82.8000112.3A136 S144 A146A136-N140 WeakPolarHBondContact O-CB 3.42Å; A136-N140 PolarHBondContact O-N 3.17Å; A136-N140 PolarHBondContact O-ND2 3.47Å; N140-S144 WeakPolarHBondContact CB-OG 3.33Å; N140-A146 HydrophobicContact CB-CB 4.35Å
141E61.5Low67.1Low150 Ų15050.8 Ų50.870%0.70127%0.269SS*.  trans-64.1147.2172.9-69.1-153.1152.100112.4H143 S144 A147E141-H143 PolarHBondContact O-N 3.28Å; E141-S144 WeakPolarHBondContact O-CB 3.32Å; E141-S144 PolarHBondContact O-N 3.42Å; E141-S144 PolarHBondContact O-OG 3.46Å; E141-A147 WeakPolarHBondContact O-CB 3.47Å
142P52.4Low66Low59 Ų5953.3 Ų53.338%0.38328%0.276SS..THydrogen-bonded Turntrans-58.8-16.5-178.3-26.634.9000116.1
143H52.6Low65Low126 Ų12653.2 Ų53.258%0.58328%0.276SS*.THydrogen-bonded Turntrans-105.7-4.4179.3-55.9-49.2000113.7E141E141-H143 PolarHBondContact O-N 3.28Å
144S63.7Low64.4Low31 Ų3155.7 Ų55.722%0.21729%0.291CS..SBendtrans-56.1151.1175.165.70000110.9N140 E141 A146 A147 K148N140-S144 WeakPolarHBondContact CB-OG 3.33Å; E141-S144 WeakPolarHBondContact O-CB 3.32Å; E141-S144 PolarHBondContact O-N 3.42Å; E141-S144 PolarHBondContact O-OG 3.46Å; S144-A146 PolarHBondContact O-N 2.97Å; S144-A147 PolarHBondContact O-N 3.4Å; S144-A147 VanDerWaalsContact O-N 3.09Å; S144-A147 WeakPolarHBondContact OG-CB 3.41Å; S144-A147 PolarHBondContact OG-N 3.03Å; S144-A147 VanDerWaalsContact OG-N 3.09Å; S144-K148 PolarHBondContact O-N 2.92Å
145T64.2Low63.6Low92 Ų9258.4 Ų58.456%0.56430%0.298SS*.Hα-helixtrans-58.3-38.2175.4-23.70000110.3W84 A147 K148 V149W84-T145 HydrophobicContact CH2-CG2 3.53Å; W84-T145 HydrophobicContact CZ2-CG2 4.41Å; W84-T145 HydrophobicContact CZ3-CG2 4.25Å; W84-T145 VanDerWaalsContact CZ3-O 3.27Å; W84-T145 WeakPolarHBondContact CZ3-O 3.45Å; T145-A147 PolarHBondContact O-N 3.26Å; T145-K148 WeakPolarHBondContact O-CB 3.42Å; T145-K148 PolarHBondContact O-N 3.44Å; T145-V149 PolarHBondContact O-N 2.94Å
146A61.8Low62.3Low17 Ų1761.6 Ų61.614%0.1432%0.315CS..Hα-helixtrans-52.4-47.8172.700000113W84 N140 S144 K148 V149 F150W84-A146 HydrophobicContact CE3-CB 4.28Å; N140-A146 HydrophobicContact CB-CB 4.35Å; S144-A146 PolarHBondContact O-N 2.97Å; A146-K148 VanDerWaalsContact C-N 3.32Å; A146-K148 PolarHBondContact O-N 3.33Å; A146-V149 PolarHBondContact O-N 3.24Å; A146-F150 VanDerWaalsContact O-CB 3.32Å; A146-F150 WeakPolarHBondContact O-CB 3.31Å; A146-F150 PolarHBondContact O-N 3.16Å
147A58.4Low61.3Low2 Ų261.4 Ų61.42%0.01731%0.313CS..Hα-helixtrans-66.5-28.7176.300000113.5E141 S144 T145 F150 L151E141-A147 WeakPolarHBondContact O-CB 3.47Å; S144-A147 PolarHBondContact O-N 3.4Å; S144-A147 VanDerWaalsContact O-N 3.09Å; S144-A147 WeakPolarHBondContact OG-CB 3.41Å; S144-A147 PolarHBondContact OG-N 3.03Å; S144-A147 VanDerWaalsContact OG-N 3.09Å; T145-A147 PolarHBondContact O-N 3.26Å; A147-F150 WeakPolarHBondContact O-CB 3.2Å; A147-F150 WeakPolarHBondContact O-CD1 3.47Å; A147-L151 PolarHBondContact O-N 3.02Å
148K59.3Low60.6Low134 Ų13461.6 Ų61.658%0.58331%0.308SS*.Hα-helixtrans-74.3-40.6174.7-64.5179.3-176.8178.30112.3S144 T145 A146 L151 R152S144-K148 PolarHBondContact O-N 2.92Å; T145-K148 WeakPolarHBondContact O-CB 3.42Å; T145-K148 PolarHBondContact O-N 3.44Å; A146-K148 VanDerWaalsContact C-N 3.32Å; A146-K148 PolarHBondContact O-N 3.33Å; K148-L151 PolarHBondContact O-N 3.42Å; K148-R152 PolarHBondContact O-N 3.41Å
149V63.1Low59.4Low6 Ų659.9 Ų59.94%0.03631%0.305CS..Hα-helixtrans-72.2-34175.7169.40000111.7I81 W84 F85 T145 A146 L151 R152 C153I81-V149 HydrophobicContact CB-CG1 3.82Å; I81-V149 HydrophobicContact CD1-CG1 4.25Å; I81-V149 HydrophobicContact CG1-CG1 3.66Å; I81-V149 HydrophobicContact CG1-CG2 4.35Å; I81-V149 HydrophobicContact CG2-CG1 3.45Å; I81-V149 VanDerWaalsContact CG2-CG1 3.45Å; W84-V149 HydrophobicContact CE3-CB 3.83Å; W84-V149 HydrophobicContact CE3-CG1 4.12Å; W84-V149 HydrophobicContact CE3-CG2 4.03Å; W84-V149 HydrophobicContact CH2-CB 4.35Å; W84-V149 HydrophobicContact CH2-CG2 3.65Å; W84-V149 HydrophobicContact CZ3-CB 3.41Å; W84-V149 VanDerWaalsContact CZ3-CB 3.41Å; W84-V149 HydrophobicContact CZ3-CG1 4.12Å; W84-V149 HydrophobicContact CZ3-CG2 3.2Å; F85-V149 HydrophobicContact CE2-CG1 4.2Å; T145-V149 PolarHBondContact O-N 2.94Å; A146-V149 PolarHBondContact O-N 3.24Å; V149-L151 VanDerWaalsContact C-N 3.27Å; V149-L151 PolarHBondContact O-N 2.93Å; V149-R152 CarbonylContact O-C 3.57Å; V149-R152 WeakPolarHBondContact O-CA 3.48Å; V149-R152 PolarHBondContact O-N 2.81Å; V149-C153 PolarHBondContact O-N 3.06Å; V149-C153 PolarHBondContact O-SG 2.91Å
150F64.1Low57.6Low16 Ų1662.3 Ų62.37%0.0732%0.322CS..Hα-helixtrans-45.8-49.3166.9150.7-75.2000111.9C133 A136 A146 A147 R152 C153 V154 F205C133-F150 VanDerWaalsContact C-CD2 3.42Å; C133-F150 VanDerWaalsContact CA-CD2 3.46Å; C133-F150 HydrophobicContact CB-CD2 3.47Å; C133-F150 VanDerWaalsContact CB-CD2 3.47Å; C133-F150 HydrophobicContact CB-CE2 3.4Å; C133-F150 HydrophobicContact CB-CZ 4.36Å; C133-F150 WeakPolarHBondContact O-CD2 3.46Å; C133-F150 WeakPolarHBondContact O-CE2 3.48Å; A136-F150 HydrophobicContact CB-CD2 4.32Å; A146-F150 VanDerWaalsContact O-CB 3.32Å; A146-F150 WeakPolarHBondContact O-CB 3.31Å; A146-F150 PolarHBondContact O-N 3.16Å; A147-F150 WeakPolarHBondContact O-CB 3.2Å; A147-F150 WeakPolarHBondContact O-CD1 3.47Å; F150-R152 VanDerWaalsContact C-N 3.3Å; F150-R152 PolarHBondContact O-N 2.89Å; F150-C153 WeakPolarHBondContact O-CB 3.39Å; F150-C153 PolarHBondContact O-N 3Å; F150-V154 PolarHBondContact O-N 3.29Å; F150-F205 HydrophobicContact CD1-CE2 4.22Å; F150-F205 AromaticContact CD1-CZ 3.64Å; F150-F205 HydrophobicContact CD1-CZ 3.64Å; F150-F205 HydrophobicContact CE1-CE1 4.46Å; F150-F205 AromaticContact CE1-CE2 3.35Å; F150-F205 HydrophobicContact CE1-CE2 3.35Å; F150-F205 AromaticContact CE1-CZ 3.23Å; F150-F205 HydrophobicContact CE1-CZ 3.23Å; F150-F205 AromaticContact CZ-CE2 3.81Å; F150-F205 HydrophobicContact CZ-CE2 3.81Å; F150-F205 AromaticContact CZ-CZ 3.97Å; F150-F205 HydrophobicContact CZ-CZ 3.97Å
151L56.6Low55.9Low63 Ų6364.6 Ų64.633%0.3333%0.327SS..Hα-helixtrans-64.2-41.2-179.4-78.9172.1000110.2A147 K148 V149 V154 F155 F205A147-L151 PolarHBondContact O-N 3.02Å; K148-L151 PolarHBondContact O-N 3.42Å; V149-L151 VanDerWaalsContact C-N 3.27Å; V149-L151 PolarHBondContact O-N 2.93Å; L151-V154 PolarHBondContact O-N 3.31Å; L151-F155 VanDerWaalsContact O-CD2 3.23Å; L151-F155 WeakPolarHBondContact O-CD2 3.41Å; L151-F155 PolarHBondContact O-N 3.2Å; L151-F205 HydrophobicContact CD1-CE1 4.28Å; L151-F205 HydrophobicContact CD2-CE2 4.24Å; L151-F205 HydrophobicContact CD2-CZ 4.27Å; L151-F205 HydrophobicContact CG-CE1 4.43Å; L151-F205 HydrophobicContact CG-CZ 4.27Å
152R61.1Low54.7Low85 Ų8562.7 Ų62.732%0.32131%0.314SS..Hα-helixtrans-71.6-31.7-177.8-160.8163.1177.2133.7-16.9113V74 D76 I81 K148 V149 F150 L156V74-R152 PolarHBondContact O-NE 2.88Å; D76-R152 IonicContact OD1-CZ 3.74Å; D76-R152 IonicContact OD1-NH1 2.66Å; D76-R152 PolarHBondContact OD1-NH1 2.91Å; D76-R152 IonicContact OD1-NH2 3.79Å; D76-R152 PolarHBondContact OD1-NH2 3.48Å; D76-R152 IonicContact OD2-CZ 2.72Å; D76-R152 IonicContact OD2-NH1 3.99Å; D76-R152 PolarHBondContact OD2-NH1 2.96Å; D76-R152 IonicContact OD2-NH2 3.86Å; I81-R152 HydrophobicContact CD1-CB 4.05Å; I81-R152 HydrophobicContact CD1-CG 3.75Å; K148-R152 PolarHBondContact O-N 3.41Å; V149-R152 CarbonylContact O-C 3.57Å; V149-R152 WeakPolarHBondContact O-CA 3.48Å; V149-R152 PolarHBondContact O-N 2.81Å; F150-R152 VanDerWaalsContact C-N 3.3Å; F150-R152 PolarHBondContact O-N 2.89Å; R152-L156 HydrophobicContact CG-CD1 3.95Å; R152-L156 HydrophobicContact CG-CG 4.43Å; R152-L156 WeakPolarHBondContact O-CB 3.34Å; R152-L156 WeakPolarHBondContact O-CD1 3.38Å; R152-L156 WeakPolarHBondContact O-CG 3.22Å; R152-L156 PolarHBondContact O-N 3.3Å; R152-L156 VanDerWaalsContact O-N 3.15Å
153C58.1Low54Low2 Ų266.1 Ų66.11%0.01433%0.325CS..Hα-helixtrans-55.6-55.4168.4-71.50000110.6I81 V149 F150 F155 L156 V157I81-C153 WeakPolarHBondContact CG2-SG 3.43Å; V149-C153 PolarHBondContact O-N 3.06Å; V149-C153 PolarHBondContact O-SG 2.91Å; F150-C153 WeakPolarHBondContact O-CB 3.39Å; F150-C153 PolarHBondContact O-N 3Å; C153-F155 VanDerWaalsContact C-N 3.31Å; C153-F155 PolarHBondContact O-N 2.94Å; C153-L156 PolarHBondContact O-N 3.48Å; C153-V157 VanDerWaalsContact O-CG2 3.3Å; C153-V157 WeakPolarHBondContact O-CG2 3.49Å; C153-V157 PolarHBondContact O-N 3.26Å
154V57.3Low52.9Low53 Ų5368.8 Ų68.832%0.32134%0.337SS..Hα-helixtrans-58.1-43.6-176.7179.70000111.4C133 F150 L151 L156C133-V154 HydrophobicContact CB-CG2 4.32Å; C133-V154 VanDerWaalsContact SG-CG2 3.58Å; F150-V154 PolarHBondContact O-N 3.29Å; L151-V154 PolarHBondContact O-N 3.31Å; V154-L156 VanDerWaalsContact C-N 3.31Å; V154-L156 PolarHBondContact O-N 3.19Å
155F54.4Low51.4Low113 Ų11372.7 Ų72.750%0.49636%0.36SS..Hα-helixtrans-67.5-23.1177.6-82.5-66.4000115L151 C153 F193L151-F155 VanDerWaalsContact O-CD2 3.23Å; L151-F155 WeakPolarHBondContact O-CD2 3.41Å; L151-F155 PolarHBondContact O-N 3.2Å; C153-F155 VanDerWaalsContact C-N 3.31Å; C153-F155 PolarHBondContact O-N 2.94Å; F155-F193 HydrophobicContact CE1-CE1 4.26Å
156L55.1Low49.8Very low72 Ų7274.7 Ų74.738%0.37737%0.372SS..Hα-helixtrans-93.6-17.7-177-72.5173.2000114.1A73 I81 R152 C153 V154A73-L156 HydrophobicContact CB-CD1 3.58Å; I81-L156 HydrophobicContact CD1-CD1 4.07Å; R152-L156 HydrophobicContact CG-CD1 3.95Å; R152-L156 HydrophobicContact CG-CG 4.43Å; R152-L156 WeakPolarHBondContact O-CB 3.34Å; R152-L156 WeakPolarHBondContact O-CD1 3.38Å; R152-L156 WeakPolarHBondContact O-CG 3.22Å; R152-L156 PolarHBondContact O-N 3.3Å; R152-L156 VanDerWaalsContact O-N 3.15Å; C153-L156 PolarHBondContact O-N 3.48Å; V154-L156 VanDerWaalsContact C-N 3.31Å; V154-L156 PolarHBondContact O-N 3.19Å
157V53.4Low48.2Very low3 Ų383.5 Ų83.52%0.01841%0.407CS..Hα-helixtrans-95.8-30.6-174.2-178.80000112.7V70 M129 C153 P159V70-V157 HydrophobicContact CB-CG2 4.45Å; V70-V157 HydrophobicContact CG2-CG1 4.42Å; V70-V157 HydrophobicContact CG2-CG2 3.43Å; V70-V157 VanDerWaalsContact CG2-CG2 3.43Å; M129-V157 HydrophobicContact CG-CG1 4.21Å; M129-V157 HydrophobicContact SD-CB 4.35Å; M129-V157 HydrophobicContact SD-CG1 4.2Å; M129-V157 HydrophobicContact SD-CG2 3.88Å; C153-V157 VanDerWaalsContact O-CG2 3.3Å; C153-V157 WeakPolarHBondContact O-CG2 3.49Å; C153-V157 PolarHBondContact O-N 3.26Å; V157-P159 WeakPolarHBondContact O-CD 3.37Å
158F51.3Low46.7Very low25 Ų2588.7 Ų88.711%0.1144%0.441CS..  trans-122.751.3179.8-55.9-77.2000113.1E126 M129 Y161 Y162E126-F158 HydrophobicContact CB-CE1 4.2Å; E126-F158 HydrophobicContact CB-CE2 4.38Å; E126-F158 HydrophobicContact CB-CZ 3.73Å; E126-F158 HydrophobicContact CG-CE1 4.46Å; E126-F158 HydrophobicContact CG-CE2 4.09Å; E126-F158 HydrophobicContact CG-CZ 3.92Å; M129-F158 HydrophobicContact CB-CE2 4.14Å; M129-F158 HydrophobicContact CB-CZ 4.48Å; M129-F158 HydrophobicContact CG-CE2 4.2Å; M129-F158 HydrophobicContact CG-CZ 4.43Å; F158-Y161 HydrophobicContact CD1-CD1 4.48Å; F158-Y162 HydrophobicContact CB-CD2 4.34Å; F158-Y162 HydrophobicContact CB-CE2 4.34Å
159P47.1Very low45.1Very low77 Ų7788.9 Ų88.950%0.545%0.453SS..SBendtrans-64.2-40.3177.527.3-33.3000112V157V157-P159 WeakPolarHBondContact O-CD 3.37Å
160D42Very low43.4Very low124 Ų12493.6 Ų93.666%0.66349%0.486SS*.SBendtrans-108.9-11.8-167.2-48.8-36.5000113.6Y162D160-Y162 VanDerWaalsContact C-N 3.26Å; D160-Y162 PolarHBondContact O-N 3.17Å
161Y37.5Very low41.5Very low106 Ų106102.2 Ų102.242%0.41652%0.524SS..THydrogen-bonded Turntrans-75.3-11.8-171.8-161.7-118.3000114.5L122 F158L122-Y161 HydrophobicContact CB-CE1 4.17Å; L122-Y161 HydrophobicContact CB-CE2 4.39Å; L122-Y161 HydrophobicContact CD1-CD2 3.86Å; L122-Y161 HydrophobicContact CD1-CE1 4.45Å; L122-Y161 HydrophobicContact CD1-CE2 3.26Å; L122-Y161 HydrophobicContact CG-CE2 4.44Å; F158-Y161 HydrophobicContact CD1-CD1 4.48Å
162Y36.3Very low40Very low111 Ų111108.5 Ų108.544%0.43555%0.545SS..THydrogen-bonded Turntrans-105.45.3-176.5-80.9-78.5000114.3E126 F158 D160 F193E126-Y162 PolarHBondContact OE1-OH 3.13Å; F158-Y162 HydrophobicContact CB-CD2 4.34Å; F158-Y162 HydrophobicContact CB-CE2 4.34Å; D160-Y162 VanDerWaalsContact C-N 3.26Å; D160-Y162 PolarHBondContact O-N 3.17Å; Y162-F193 HydrophobicContact CG-CE2 4.5Å
163E36.5Very low38.5Very low130 Ų130109.8 Ų109.861%0.60756%0.563SS**SBendtrans-79.9-29-179.4-65.3-153.4127.400114.2
164E30Very low37Very low182 Ų182115.6 Ų115.685%0.8559%0.592SS**  trans-133.275.9-168.8-65.1-164.1145.700115.8
165T31.3Very low35.5Very low114 Ų114120.2 Ų120.270%0.69962%0.615SS**  trans-130.860.3166.362.70000114.9
166T30.4Very low34.1Very low133 Ų133125 Ų12582%0.81663%0.63SS**SBendtrans-14771.2144.548.90000113.3
167K27.9Very low32.7Very low202 Ų202128.5 Ų128.588%0.87865%0.649SS**  trans77.3153.8158.9-46.6-177177.3-178.50117.9
168P28.5Very low31.4Very low111 Ų111135.6 Ų135.672%0.72169%0.685SS**  -140.9167.6-65.537.9-19.6000114.8
169V25.6Very low30.1Very low139 Ų139143.2 Ų143.284%0.84272%0.718SS**  trans61.7126.5165.7-131.10000115.6
170S27.2Very low29Very low104 Ų104146.2 Ų146.273%0.72774%0.735SS**  -179.2130.654.459.20000113Y172S170-Y172 PolarHBondContact O-N 3.22Å
171F23.5Very low28.3Very low197 Ų197146.6 Ų146.686%0.86474%0.741SS**  trans887.8140.3-152.4-85.2000119
172Y25.5Very low27.6Very low195 Ų195152.6 Ų152.677%0.76576%0.763SS**  trans-175.1153.3135.5-124.4-95.5000112.2S170 I174S170-Y172 PolarHBondContact O-N 3.22Å; Y172-I174 HydrophobicContact CE1-CD1 4.49Å
173T30Very low27Very low113 Ų113157.4 Ų157.469%0.69378%0.782SS**  trans80.586.8167.2-35.70000115.5
174I26.2Very low26.5Very low123 Ų123156.1 Ų156.163%0.63179%0.788SS**  66.394.474.7-57.6161.7000110.2Y172Y172-I174 HydrophobicContact CE1-CD1 4.49Å
175N25.3Very low26.5Very low151 Ų151154.3 Ų154.381%0.80778%0.777SS**  52.976.880.2-171.85.7000113.3
176R25.6Very low26.7Very low214 Ų214152.3 Ų152.381%0.80877%0.768SS**  trans-171.7107.8154.6-109.4167-174.5-163.51.9114.2
177N24.6Very low26.7Very low145 Ų145152 Ų15278%0.77576%0.755SS**  trans65173.4151-57.6-40.8000119.3
178I27.6Very low27.1Very low152 Ų152152.8 Ų152.878%0.77975%0.752SS**  trans8090.7166.3-53.9153.9000113.4
179K24.1Very low27.5Very low185 Ų185151.4 Ų151.480%0.80475%0.745SS**  55.3114.779.3-72.2-172.3172.7-179.60114.9
180V23.7Very low27.9Very low139 Ų139148.7 Ų148.784%0.84272%0.723SS**  trans59.188.8151.4-169.40000116.2
181V26.2Very low28.2Very low133 Ų133148.6 Ų148.681%0.80671%0.709SS**  trans-134.9104.9152.5-176.40000110.1
182R22.7Very low28.9Very low231 Ų231142.4 Ų142.487%0.87270%0.695SS**  trans-69.5125.7148-74.7171.7164.9161.6-5.9106.1
183Y25.5Very low29.5Very low212 Ų212137 Ų13783%0.83168%0.676SS**  trans-174132.3138.3-103.9-67.1000113.6
184S25.6Very low30Very low104 Ų104135.4 Ų135.473%0.72766%0.657SS**  trans11.2109.8158.457.20000121
185F29Very low30.6Very low144 Ų144139.2 Ų139.263%0.63266%0.664SS**  trans-75.4141149-88.2-92.1000111.2
186S35.5Very low31.4Very low72 Ų72139.4 Ų139.450%0.50366%0.657SS.*  trans-66.3128.3171.11650000111.1R188 C189S186-R188 PolarHBondContact O-N 2.78Å; S186-R188 PolarHBondContact OG-N 2.85Å; S186-C189 PolarHBondContact O-N 3.27Å
187K31.9Very low32.2Very low127 Ų127132.2 Ų132.255%0.55264%0.637SS**Hα-helixtrans-54-19.6176.3-69.5-164.4-178.9-172.10113.2F191 E270K187-F191 PolarHBondContact O-N 3.16Å; K187-E270 PolarHBondContact NZ-O 2.91Å
188R34.8Very low32.9Very low217 Ų217128.7 Ų128.782%0.81962%0.615SS**Hα-helixtrans-76.8-32.9-176.4-144174.8-168.81732113.6S186S186-R188 PolarHBondContact O-N 2.78Å; S186-R188 PolarHBondContact OG-N 2.85Å
189C37.1Very low33.7Very low82 Ų82126.3 Ų126.355%0.55461%0.608SS**Hα-helixtrans-81.4-39.3179.3-60.60000111.6S186 F191 A192 F193S186-C189 PolarHBondContact O-N 3.27Å; C189-F191 PolarHBondContact O-N 3.24Å; C189-A192 PolarHBondContact O-N 3.1Å; C189-F193 PolarHBondContact O-N 3.07Å
190Q34.4Very low34.6Very low82 Ų82123.8 Ų123.838%0.38360%0.599SS.*Hα-helixtrans-52.1-42.9170.9-69.2176.9-17.900111.6A192 F193 Y194Q190-A192 VanDerWaalsContact C-N 3.29Å; Q190-A192 PolarHBondContact O-N 3.11Å; Q190-F193 PolarHBondContact O-N 3.24Å; Q190-Y194 HydrophobicContact CB-CD2 4.27Å; Q190-Y194 HydrophobicContact CB-CE2 4.1Å; Q190-Y194 WeakPolarHBondContact O-CD2 3.44Å; Q190-Y194 PolarHBondContact O-N 3.19Å
191F32.8Very low35.6Very low102 Ų102119.6 Ų119.645%0.44757%0.573SS.*Hα-helixtrans-59.2-33.1178.2-113.7-90.7000114.5K187 C189 R195 Y212K187-F191 PolarHBondContact O-N 3.16Å; C189-F191 PolarHBondContact O-N 3.24Å; F191-R195 WeakPolarHBondContact O-CB 3.5Å; F191-R195 PolarHBondContact O-N 3.46Å; F191-Y212 HydrophobicContact CE1-CE2 4.3Å
192A39.7Very low36.1Very low67 Ų67121.5 Ų121.555%0.55457%0.566SS**Hα-helixtrans-78.4-41.5178.300000111.7C189 Q190 R195 K196C189-A192 PolarHBondContact O-N 3.1Å; Q190-A192 VanDerWaalsContact C-N 3.29Å; Q190-A192 PolarHBondContact O-N 3.11Å; A192-R195 PolarHBondContact O-N 2.84Å; A192-K196 PolarHBondContact O-N 3.27Å
193F38.1Very low37Very low83 Ų83119 Ų11936%0.36456%0.562SS.*Hα-helixtrans-58.9-53.1174.2177.9-98.3000111.3F155 Y162 C189 Q190 R195 K196 V197F155-F193 HydrophobicContact CE1-CE1 4.26Å; Y162-F193 HydrophobicContact CG-CE2 4.5Å; C189-F193 PolarHBondContact O-N 3.07Å; Q190-F193 PolarHBondContact O-N 3.24Å; F193-R195 VanDerWaalsContact C-N 3.26Å; F193-R195 PolarHBondContact O-N 3.2Å; F193-K196 PolarHBondContact O-N 3.38Å; F193-K196 VanDerWaalsContact O-N 3.12Å; F193-V197 HydrophobicContact CE1-CG2 4.34Å; F193-V197 HydrophobicContact CE2-CG2 4.47Å; F193-V197 HydrophobicContact CZ-CG2 4.25Å; F193-V197 PolarHBondContact O-N 3.32Å
194Y38.8Very low37.8Very low79 Ų79111.2 Ų111.231%0.3153%0.534SS..Hα-helixtrans-55.3-41.6176.9-77.2-58000112Q190 K196 V197 F198Q190-Y194 HydrophobicContact CB-CD2 4.27Å; Q190-Y194 HydrophobicContact CB-CE2 4.1Å; Q190-Y194 WeakPolarHBondContact O-CD2 3.44Å; Q190-Y194 PolarHBondContact O-N 3.19Å; Y194-K196 VanDerWaalsContact C-N 3.33Å; Y194-K196 PolarHBondContact O-N 3.12Å; Y194-V197 PolarHBondContact O-N 2.55Å; Y194-F198 VanDerWaalsContact O-CB 3.22Å; Y194-F198 WeakPolarHBondContact O-CB 3.38Å; Y194-F198 WeakPolarHBondContact O-CD2 3.4Å; Y194-F198 PolarHBondContact O-N 2.68Å
195R39.6Very low38.7Very low202 Ų202107.4 Ų107.476%0.76251%0.505SS*.Hα-helixtrans-63.8-33.2-179.3-170.5177.4-179.6-171.5-1.1113.7F191 A192 F193 T199F191-R195 WeakPolarHBondContact O-CB 3.5Å; F191-R195 PolarHBondContact O-N 3.46Å; A192-R195 PolarHBondContact O-N 2.84Å; F193-R195 VanDerWaalsContact C-N 3.26Å; F193-R195 PolarHBondContact O-N 3.2Å; R195-T199 PolarHBondContact O-OG1 3.18Å
196K41.4Very low39.2Very low155 Ų155104.4 Ų104.467%0.67450%0.499SS*.Hα-helixtrans-79.5-37.4-179.3-151.2179.7-176.2-170.50111.8A192 F193 Y194 T199A192-K196 PolarHBondContact O-N 3.27Å; F193-K196 PolarHBondContact O-N 3.38Å; F193-K196 VanDerWaalsContact O-N 3.12Å; Y194-K196 VanDerWaalsContact C-N 3.33Å; Y194-K196 PolarHBondContact O-N 3.12Å; K196-T199 PolarHBondContact O-OG1 3.04Å
197V42.1Very low39.3Very low64 Ų64104.1 Ų104.139%0.38850%0.497SS..Hα-helixtrans-71.6-38.4172.9-178.70000111.4F193 Y194 T199 E200 V201F193-V197 HydrophobicContact CE1-CG2 4.34Å; F193-V197 HydrophobicContact CE2-CG2 4.47Å; F193-V197 HydrophobicContact CZ-CG2 4.25Å; F193-V197 PolarHBondContact O-N 3.32Å; Y194-V197 PolarHBondContact O-N 2.55Å; V197-T199 PolarHBondContact O-N 2.91Å; V197-E200 PolarHBondContact O-N 3.46Å; V197-V201 HydrophobicContact CG1-CB 4.4Å; V197-V201 HydrophobicContact CG1-CG2 3.87Å; V197-V201 WeakPolarHBondContact O-CB 3.44Å; V197-V201 WeakPolarHBondContact O-CG2 3.47Å; V197-V201 PolarHBondContact O-N 3.18Å
198F40.2Very low39.6Very low70 Ų70100.7 Ų100.731%0.30749%0.485SS..Hα-helixtrans-56.8-33.3178.7-112.9-103.6000113.8Y194 W202 L208Y194-F198 VanDerWaalsContact O-CB 3.22Å; Y194-F198 WeakPolarHBondContact O-CB 3.38Å; Y194-F198 WeakPolarHBondContact O-CD2 3.4Å; Y194-F198 PolarHBondContact O-N 2.68Å; F198-W202 WeakPolarHBondContact O-CA 3.42Å; F198-W202 WeakPolarHBondContact O-CB 3.31Å; F198-W202 PolarHBondContact O-N 3.07Å; F198-L208 HydrophobicContact CE2-CB 4.31Å; F198-L208 HydrophobicContact CZ-CB 4.18Å
199T44.2Very low39.9Very low103 Ų10393.3 Ų93.363%0.63246%0.464SS*.Hα-helixtrans-75.3-26.4-177.329.60000114R195 K196 V197R195-T199 PolarHBondContact O-OG1 3.18Å; K196-T199 PolarHBondContact O-OG1 3.04Å; V197-T199 PolarHBondContact O-N 2.91Å
200E42.8Very low40.2Very low131 Ų13192.4 Ų92.461%0.61246%0.456SS*.Hα-helixtrans-94.3-32.2178-55.2-74105.800111.6K44 V197K44-E200 IonicContact NZ-OE1 2.69Å; K44-E200 PolarHBondContact NZ-OE1 3.34Å; K44-E200 IonicContact NZ-OE2 3.15Å; K44-E200 PolarHBondContact NZ-OE2 3.24Å; V197-E200 PolarHBondContact O-N 3.46Å
201V46Very low40.6Very low51 Ų5192.4 Ų92.431%0.30945%0.453SS..SBendtrans-104.412.9-169-167.90000112.4V197 F203 I204 F205V197-V201 HydrophobicContact CG1-CB 4.4Å; V197-V201 HydrophobicContact CG1-CG2 3.87Å; V197-V201 WeakPolarHBondContact O-CB 3.44Å; V197-V201 WeakPolarHBondContact O-CG2 3.47Å; V197-V201 PolarHBondContact O-N 3.18Å; V201-F203 PolarHBondContact O-N 3.35Å; V201-I204 HydrophobicContact CG1-CB 4.03Å; V201-I204 HydrophobicContact CG1-CD1 4.1Å; V201-I204 HydrophobicContact CG1-CG1 4.2Å; V201-I204 PolarHBondContact O-N 3.44Å; V201-I204 VanDerWaalsContact O-N 3.09Å; V201-F205 HydrophobicContact CG1-CD2 4.3Å; V201-F205 HydrophobicContact CG1-CE2 4.49Å
202W36.5Very low41.2Very low174 Ų17492.8 Ų92.866%0.65945%0.452SS*.THydrogen-bonded Turntrans-50.9-25.4-167.2-171.144.9000116.3F198F198-W202 WeakPolarHBondContact O-CA 3.42Å; F198-W202 WeakPolarHBondContact O-CB 3.31Å; F198-W202 PolarHBondContact O-N 3.07Å
203F40.3Very low41.9Very low178 Ų17893 Ų9378%0.78144%0.444SS*.THydrogen-bonded Turntrans-96.3-7.8-175.2-67.6-76.7000115.6V201V201-F203 PolarHBondContact O-N 3.35Å
204I43.2Very low42.4Very low49 Ų4989.3 Ų89.325%0.25143%0.429SS..THydrogen-bonded Turntrans-98.3-29.3-161-50.5-171.4000114.1V201V201-I204 HydrophobicContact CG1-CB 4.03Å; V201-I204 HydrophobicContact CG1-CD1 4.1Å; V201-I204 HydrophobicContact CG1-CG1 4.2Å; V201-I204 PolarHBondContact O-N 3.44Å; V201-I204 VanDerWaalsContact O-N 3.09Å
205F44Very low43.1Very low24 Ų2486.7 Ų86.711%0.10542%0.421CS..  trans-130.291.7-173.2-67.6-75.8000115.5F150 L151 V201 S207 L208F150-F205 HydrophobicContact CD1-CE2 4.22Å; F150-F205 AromaticContact CD1-CZ 3.64Å; F150-F205 HydrophobicContact CD1-CZ 3.64Å; F150-F205 HydrophobicContact CE1-CE1 4.46Å; F150-F205 AromaticContact CE1-CE2 3.35Å; F150-F205 HydrophobicContact CE1-CE2 3.35Å; F150-F205 AromaticContact CE1-CZ 3.23Å; F150-F205 HydrophobicContact CE1-CZ 3.23Å; F150-F205 AromaticContact CZ-CE2 3.81Å; F150-F205 HydrophobicContact CZ-CE2 3.81Å; F150-F205 AromaticContact CZ-CZ 3.97Å; F150-F205 HydrophobicContact CZ-CZ 3.97Å; L151-F205 HydrophobicContact CD1-CE1 4.28Å; L151-F205 HydrophobicContact CD2-CE2 4.24Å; L151-F205 HydrophobicContact CD2-CZ 4.27Å; L151-F205 HydrophobicContact CG-CE1 4.43Å; L151-F205 HydrophobicContact CG-CZ 4.27Å; V201-F205 HydrophobicContact CG1-CD2 4.3Å; V201-F205 HydrophobicContact CG1-CE2 4.49Å; F205-S207 PolarHBondContact O-N 2.93Å; F205-L208 HydrophobicContact CB-CD1 4.13Å; F205-L208 PolarHBondContact O-N 3.44Å
206P40.7Very low43.9Very low80 Ų8078.7 Ų78.752%0.51940%0.396SS..Hα-helixtrans-60.8-22.8176.5-25.335.3000115.6T209P206-T209 WeakPolarHBondContact O-CB 3.42Å; P206-T209 PolarHBondContact O-N 2.86Å; P206-T209 PolarHBondContact O-OG1 3.15Å
207S36.4Very low44.8Very low66 Ų6673.9 Ų73.946%0.46238%0.377SS..Hα-helixtrans-74.8-24.2-178.150.40000114.3F205 T210F205-S207 PolarHBondContact O-N 2.93Å; S207-T210 WeakPolarHBondContact CA-OG1 3.43Å; S207-T210 PolarHBondContact O-OG1 3.15Å
208L38Very low45.6Very low55 Ų5570.8 Ų70.829%0.28836%0.359SS..Hα-helixtrans-74.4-29.7172.8-88.5156000111.5F198 F205 W211 Y212F198-L208 HydrophobicContact CE2-CB 4.31Å; F198-L208 HydrophobicContact CZ-CB 4.18Å; F205-L208 HydrophobicContact CB-CD1 4.13Å; F205-L208 PolarHBondContact O-N 3.44Å; L208-W211 PolarHBondContact O-N 2.68Å; L208-Y212 PolarHBondContact O-N 3.25Å; L208-Y212 VanDerWaalsContact O-N 3.14Å
209T41Very low46.7Very low63 Ų6373 Ų7339%0.38737%0.37SS..Hα-helixtrans-64.2-45.2175.5-350000111.1P206 W211 Y212 D213P206-T209 WeakPolarHBondContact O-CB 3.42Å; P206-T209 PolarHBondContact O-N 2.86Å; P206-T209 PolarHBondContact O-OG1 3.15Å; T209-W211 VanDerWaalsContact C-N 3.3Å; T209-W211 PolarHBondContact O-N 2.75Å; T209-Y212 PolarHBondContact O-N 2.84Å; T209-D213 WeakPolarHBondContact O-CB 3.38Å; T209-D213 PolarHBondContact O-N 3.06Å
210T44.7Very low47.6Very low63 Ų6371 Ų7139%0.38736%0.36SS..Hα-helixtrans-62.5-32.217938.70000114S207 A214S207-T210 WeakPolarHBondContact CA-OG1 3.43Å; S207-T210 PolarHBondContact O-OG1 3.15Å; T210-A214 WeakPolarHBondContact O-CB 3.41Å; T210-A214 PolarHBondContact O-N 3.24Å; T210-A214 VanDerWaalsContact O-N 3.16Å
211W42.4Very low48.5Very low81 Ų8165 Ų6531%0.30733%0.334SS..Hα-helixtrans-73.5-47.1174.917781.9000111.7L208 T209 D213 A214 V215 D272L208-W211 PolarHBondContact O-N 2.68Å; T209-W211 VanDerWaalsContact C-N 3.3Å; T209-W211 PolarHBondContact O-N 2.75Å; W211-D213 PolarHBondContact O-N 3.25Å; W211-A214 WeakPolarHBondContact O-CB 3.46Å; W211-A214 PolarHBondContact O-N 3.06Å; W211-V215 HydrophobicContact CD2-CG2 4.46Å; W211-V215 HydrophobicContact CZ2-CG2 4.3Å; W211-V215 WeakPolarHBondContact O-CG2 3.27Å; W211-V215 PolarHBondContact O-N 3.22Å; W211-D272 PolarHBondContact NE1-OD1 3.27Å; W211-D272 PolarHBondContact NE1-OD2 3.3Å
212Y46.1Very low49.5Very low111 Ų11164.5 Ų64.544%0.43533%0.329SS..Hα-helixtrans-61.6-42.3178.1-177.4-94.8000112.5F191 L208 T209 S216F191-Y212 HydrophobicContact CE1-CE2 4.3Å; L208-Y212 PolarHBondContact O-N 3.25Å; L208-Y212 VanDerWaalsContact O-N 3.14Å; T209-Y212 PolarHBondContact O-N 2.84Å; Y212-S216 VanDerWaalsContact O-CB 3.23Å; Y212-S216 WeakPolarHBondContact O-CB 3.12Å; Y212-S216 PolarHBondContact O-N 3.21Å; Y212-S216 PolarHBondContact O-OG 3.1Å
213D53.5Low51.1Low72 Ų7263.8 Ų63.839%0.38533%0.33SS..Hα-helixtrans-65.3-39.8176.2-74.1-18000111.3T209 W211 N217T209-D213 WeakPolarHBondContact O-CB 3.38Å; T209-D213 PolarHBondContact O-N 3.06Å; W211-D213 PolarHBondContact O-N 3.25Å; D213-N217 WeakPolarHBondContact O-CB 3.31Å; D213-N217 PolarHBondContact O-N 3.02Å; D213-N217 PolarHBondContact O-ND2 3.38Å; D213-N217 VanDerWaalsContact O-ND2 3.12Å
214A49.3Very low52.4Low5 Ų556 Ų564%0.04130%0.297CS..Hα-helixtrans-60.4-52.9175.800000112.1T210 W211 S216 N217 G218T210-A214 WeakPolarHBondContact O-CB 3.41Å; T210-A214 PolarHBondContact O-N 3.24Å; T210-A214 VanDerWaalsContact O-N 3.16Å; W211-A214 WeakPolarHBondContact O-CB 3.46Å; W211-A214 PolarHBondContact O-N 3.06Å; A214-S216 PolarHBondContact O-N 3.27Å; A214-N217 PolarHBondContact O-N 3.23Å; A214-G218 PolarHBondContact O-N 3.15Å
215V52.7Low53.8Low24 Ų2453.8 Ų53.815%0.14529%0.285CS..Hα-helixtrans-62.6-43.8-179.6176.30000111.2W211 G218 Q219W211-V215 HydrophobicContact CD2-CG2 4.46Å; W211-V215 HydrophobicContact CZ2-CG2 4.3Å; W211-V215 WeakPolarHBondContact O-CG2 3.27Å; W211-V215 PolarHBondContact O-N 3.22Å; V215-G218 PolarHBondContact O-N 3.14Å; V215-Q219 WeakPolarHBondContact O-CG 3.22Å; V215-Q219 PolarHBondContact O-N 3.21Å; V215-Q219 VanDerWaalsContact O-N 3.09Å
216S57.2Low54.9Low34 Ų3456 Ų5624%0.23830%0.304CS..Hα-helixtrans-66.1-42.7-179.3-59.20000112.3Y212 A214 S220Y212-S216 VanDerWaalsContact O-CB 3.23Å; Y212-S216 WeakPolarHBondContact O-CB 3.12Å; Y212-S216 PolarHBondContact O-N 3.21Å; Y212-S216 PolarHBondContact O-OG 3.1Å; A214-S216 PolarHBondContact O-N 3.27Å; S216-S220 VanDerWaalsContact O-CB 3.27Å; S216-S220 WeakPolarHBondContact O-CB 3.22Å; S216-S220 PolarHBondContact O-N 2.95Å; S216-S220 VanDerWaalsContact O-N 3.09Å; S216-S220 PolarHBondContact O-OG 3.43Å
217N60.1Low56.2Low53 Ų5355.7 Ų55.728%0.28330%0.304SS..Hα-helixtrans-70.3-37.3178.1-69.6-23.4000111.5D213 A214 S220 G221 M280D213-N217 WeakPolarHBondContact O-CB 3.31Å; D213-N217 PolarHBondContact O-N 3.02Å; D213-N217 PolarHBondContact O-ND2 3.38Å; D213-N217 VanDerWaalsContact O-ND2 3.12Å; A214-N217 PolarHBondContact O-N 3.23Å; N217-S220 PolarHBondContact O-N 3.04Å; N217-G221 PolarHBondContact O-N 3.31Å; N217-M280 HydrophobicContact CB-CE 4.04Å
218G58.7Low58Low0 Ų053.4 Ų53.40%029%0.287CS..Hα-helixtrans-65.4-47178.500000113.4A214 V215 S220 G221 L222 M280A214-G218 PolarHBondContact O-N 3.15Å; V215-G218 PolarHBondContact O-N 3.14Å; G218-S220 VanDerWaalsContact C-N 3.29Å; G218-S220 PolarHBondContact O-N 3.45Å; G218-G221 PolarHBondContact O-N 3.18Å; G218-L222 WeakPolarHBondContact O-CG 3.23Å; G218-L222 PolarHBondContact O-N 3.43Å; G218-M280 WeakPolarHBondContact CA-SD 3.02Å
219Q62.7Low59.9Low117 Ų11755.8 Ų55.855%0.54730%0.297SS..Hα-helixtrans-63.9-36.8174.2-68.3-177.77.900111.7V215 K223V215-Q219 WeakPolarHBondContact O-CG 3.22Å; V215-Q219 PolarHBondContact O-N 3.21Å; V215-Q219 VanDerWaalsContact O-N 3.09Å; Q219-K223 VanDerWaalsContact O-CB 3.31Å; Q219-K223 WeakPolarHBondContact O-CB 3.42Å; Q219-K223 PolarHBondContact O-N 3.21Å; Q219-K223 VanDerWaalsContact O-N 3.08Å
220S62.9Low61.6Low61 Ų6155.1 Ų55.143%0.42729%0.29SS..Hα-helixtrans-67.6-40.8176.5-61.80000112.6S216 N217 G218 L224S216-S220 VanDerWaalsContact O-CB 3.27Å; S216-S220 WeakPolarHBondContact O-CB 3.22Å; S216-S220 PolarHBondContact O-N 2.95Å; S216-S220 VanDerWaalsContact O-N 3.09Å; S216-S220 PolarHBondContact O-OG 3.43Å; N217-S220 PolarHBondContact O-N 3.04Å; G218-S220 VanDerWaalsContact C-N 3.29Å; G218-S220 PolarHBondContact O-N 3.45Å; S220-L224 VanDerWaalsContact O-CB 3.25Å; S220-L224 WeakPolarHBondContact O-CB 3.43Å; S220-L224 PolarHBondContact O-N 3.49Å
221G62.4Low63Low5 Ų558.3 Ų58.35%0.05232%0.316CS..Hα-helixtrans-65.6-50176.300000112.4N217 G218 K223 L224 F225N217-G221 PolarHBondContact O-N 3.31Å; G218-G221 PolarHBondContact O-N 3.18Å; G221-K223 VanDerWaalsContact C-N 3.3Å; G221-K223 PolarHBondContact O-N 3.21Å; G221-L224 WeakPolarHBondContact O-CB 3.3Å; G221-L224 PolarHBondContact O-N 3.11Å; G221-L224 VanDerWaalsContact O-N 3.14Å; G221-F225 WeakPolarHBondContact O-CD2 3.38Å; G221-F225 WeakPolarHBondContact O-CG 3.44Å; G221-F225 PolarHBondContact O-N 2.88Å
222L67.4Low64.6Low39 Ų3959 Ų5920%0.20433%0.333CS..Hα-helixtrans-57.5-42.5175.7-73.9175.2000112.4G218 S226 L262 R266 I269 F284G218-L222 WeakPolarHBondContact O-CG 3.23Å; G218-L222 PolarHBondContact O-N 3.43Å; L222-S226 PolarHBondContact O-N 3.45Å; L222-L262 HydrophobicContact CD2-CD2 4.38Å; L222-R266 HydrophobicContact CD1-CB 3.87Å; L222-R266 HydrophobicContact CD1-CG 3.95Å; L222-R266 HydrophobicContact CD2-CB 4.33Å; L222-I269 HydrophobicContact CD1-CD1 3.76Å; L222-I269 HydrophobicContact CG-CD1 4.29Å; L222-F284 HydrophobicContact CD2-CE1 4.41Å; L222-F284 HydrophobicContact CD2-CZ 4.17Å; L222-F284 HydrophobicContact CG-CZ 4.31Å
223K69.2Low66Low159 Ų15959.6 Ų59.669%0.69134%0.343SS*.Hα-helixtrans-66.5-40.5177.3-169.5173.1-177.3178.90111.5Q219 G221 S226 S227Q219-K223 VanDerWaalsContact O-CB 3.31Å; Q219-K223 WeakPolarHBondContact O-CB 3.42Å; Q219-K223 PolarHBondContact O-N 3.21Å; Q219-K223 VanDerWaalsContact O-N 3.08Å; G221-K223 VanDerWaalsContact C-N 3.3Å; G221-K223 PolarHBondContact O-N 3.21Å; K223-S226 PolarHBondContact O-N 3Å; K223-S226 PolarHBondContact O-OG 2.79Å; K223-S227 PolarHBondContact O-N 2.88Å; K223-S227 PolarHBondContact O-OG 3.25Å
224L68.6Low67.6Low14 Ų1460.7 Ų60.77%0.07334%0.342CS..Hα-helixtrans-59.6-52.8177.3176.455.4000112.1S220 G221 S226 S227 T228 V311 R315S220-L224 VanDerWaalsContact O-CB 3.25Å; S220-L224 WeakPolarHBondContact O-CB 3.43Å; S220-L224 PolarHBondContact O-N 3.49Å; G221-L224 WeakPolarHBondContact O-CB 3.3Å; G221-L224 PolarHBondContact O-N 3.11Å; G221-L224 VanDerWaalsContact O-N 3.14Å; L224-S226 PolarHBondContact O-N 2.78Å; L224-S227 CarbonylContact O-C 3.58Å; L224-S227 WeakPolarHBondContact O-CA 3.25Å; L224-S227 PolarHBondContact O-N 3.45Å; L224-S227 PolarHBondContact O-OG 3.04Å; L224-T228 PolarHBondContact O-N 3.31Å; L224-T228 VanDerWaalsContact O-N 3.12Å; L224-T228 PolarHBondContact O-OG1 2.89Å; L224-T228 VanDerWaalsContact O-OG1 3.04Å; L224-V311 HydrophobicContact CD1-CG1 4Å; L224-V311 HydrophobicContact CD2-CG1 3.46Å; L224-V311 VanDerWaalsContact CD2-CG1 3.46Å; L224-V311 HydrophobicContact CG-CG1 3.67Å; L224-R315 HydrophobicContact CD2-CB 4.21Å; L224-R315 HydrophobicContact CD2-CG 3.57Å
225F72.6Confident69.2Low3 Ų366.1 Ų66.11%0.01336%0.362CS..Hα-helixtrans-61.8-33.6-179.7-55-44.6000112.6G221 S227 T228 S237 L262 F284 F288 L308 F312G221-F225 WeakPolarHBondContact O-CD2 3.38Å; G221-F225 WeakPolarHBondContact O-CG 3.44Å; G221-F225 PolarHBondContact O-N 2.88Å; F225-S227 PolarHBondContact O-N 3.39Å; F225-T228 PolarHBondContact O-N 2.93Å; F225-S237 WeakPolarHBondContact O-CB 3.46Å; F225-S237 PolarHBondContact O-OG 2.85Å; F225-L262 HydrophobicContact CD2-CD2 4.23Å; F225-F284 HydrophobicContact CD2-CE1 4.08Å; F225-F284 AromaticContact CE2-CD1 3.72Å; F225-F284 HydrophobicContact CE2-CD1 3.72Å; F225-F284 AromaticContact CE2-CE1 3.45Å; F225-F284 HydrophobicContact CE2-CE1 3.45Å; F225-F284 VanDerWaalsContact CE2-CE1 3.45Å; F225-F284 HydrophobicContact CE2-CZ 4.1Å; F225-F284 HydrophobicContact CZ-CD1 4.36Å; F225-F284 HydrophobicContact CZ-CE1 4.47Å; F225-F288 HydrophobicContact CE1-CZ 4.13Å; F225-F288 HydrophobicContact CE2-CZ 4.37Å; F225-F288 HydrophobicContact CZ-CE2 4.35Å; F225-F288 AromaticContact CZ-CZ 3.84Å; F225-F288 HydrophobicContact CZ-CZ 3.84Å; F225-L308 HydrophobicContact CB-CD2 4.45Å; F225-L308 HydrophobicContact CD1-CB 4.45Å; F225-L308 HydrophobicContact CD1-CD2 3.66Å; F225-L308 HydrophobicContact CE1-CB 4.35Å; F225-L308 HydrophobicContact CE1-CD2 4.35Å; F225-L308 HydrophobicContact CG-CD2 4.38Å; F225-F312 HydrophobicContact CE1-CB 4.06Å; F225-F312 HydrophobicContact CE2-CD2 4.2Å; F225-F312 HydrophobicContact CZ-CB 3.73Å; F225-F312 AromaticContact CZ-CD2 3.57Å; F225-F312 HydrophobicContact CZ-CD2 3.57Å; F225-F312 AromaticContact CZ-CG 3.92Å; F225-F312 HydrophobicContact CZ-CG 3.92Å
226S66.8Low70.7Confident71 Ų7165.2 Ų65.250%0.49736%0.356SS..Hα-helixtrans-63.7-19.7175.375.80000113.9L222 K223 L224L222-S226 PolarHBondContact O-N 3.45Å; K223-S226 PolarHBondContact O-N 3Å; K223-S226 PolarHBondContact O-OG 2.79Å; L224-S226 PolarHBondContact O-N 2.78Å
227S68.6Low72.2Confident74 Ų7463.8 Ų63.852%0.51735%0.346SS..THydrogen-bonded Turntrans-109.61.3178.356.80000114.8K223 L224 F225K223-S227 PolarHBondContact O-N 2.88Å; K223-S227 PolarHBondContact O-OG 3.25Å; L224-S227 CarbonylContact O-C 3.58Å; L224-S227 WeakPolarHBondContact O-CA 3.25Å; L224-S227 PolarHBondContact O-N 3.45Å; L224-S227 PolarHBondContact O-OG 3.04Å; F225-S227 PolarHBondContact O-N 3.39Å
228T72.7Confident73.5Confident18 Ų1863.9 Ų63.911%0.1135%0.354CS..  trans-84.4118.3179.4-52.40000110.2L224 F225 L236 L308L224-T228 PolarHBondContact O-N 3.31Å; L224-T228 VanDerWaalsContact O-N 3.12Å; L224-T228 PolarHBondContact O-OG1 2.89Å; L224-T228 VanDerWaalsContact O-OG1 3.04Å; F225-T228 PolarHBondContact O-N 2.93Å; T228-L236 HydrophobicContact CG2-CD1 4.38Å; T228-L236 HydrophobicContact CG2-CD2 4.13Å; T228-L236 PolarHBondContact O-N 3.33Å; T228-L236 VanDerWaalsContact O-N 3.16Å; T228-L308 HydrophobicContact CG2-CD2 4.13Å
229Q78.8Confident74.9Confident105 Ų10566.4 Ų66.449%0.49138%0.375SS..BIsolated β-bridgetrans-122.8155.7179.3-65.9170.7-87.900110.6D233 R234Q229-D233 PolarHBondContact NE2-O 3.33Å; Q229-D233 PolarHBondContact NE2-OD1 3.25Å; Q229-R234 WeakPolarHBondContact CA-O 3.3Å
230D75.6Confident76.4Confident48 Ų4861.3 Ų61.326%0.25735%0.351SS..  trans-88.5-17617162.822000111.3S232 D233 R234 L236D230-S232 PolarHBondContact O-N 3.41Å; D230-S232 WeakPolarHBondContact OD1-CA 3.35Å; D230-S232 WeakPolarHBondContact OD1-CB 3.31Å; D230-S232 PolarHBondContact OD1-N 2.84Å; D230-D233 PolarHBondContact O-N 3.09Å; D230-D233 VanDerWaalsContact O-N 3.12Å; D230-D233 PolarHBondContact OD1-N 3.23Å; D230-R234 PolarHBondContact N-O 3.11Å; D230-R234 VanDerWaalsContact N-O 3.11Å; D230-R234 WeakPolarHBondContact OD1-CB 3.37Å; D230-R234 PolarHBondContact OD1-N 2.94Å; D230-R234 IonicContact OD2-CZ 3.79Å; D230-R234 IonicContact OD2-NE 3.57Å; D230-R234 PolarHBondContact OD2-NE 2.93Å; D230-R234 IonicContact OD2-NH2 3.93Å; D230-R234 PolarHBondContact OD2-NH2 3.29Å; D230-L236 HydrophobicContact CB-CD1 3.82Å
231S74.8Confident77.6Confident131 Ų13161.3 Ų61.392%0.91635%0.345SS*.THydrogen-bonded Turntrans-61.5-7.617755.50000114.8
232S76Confident79Confident96 Ų9665 Ų6567%0.67136%0.363SS*.THydrogen-bonded Turntrans-113.219.4-179.4-53.10000111.7D230 R234D230-S232 PolarHBondContact O-N 3.41Å; D230-S232 WeakPolarHBondContact OD1-CA 3.35Å; D230-S232 WeakPolarHBondContact OD1-CB 3.31Å; D230-S232 PolarHBondContact OD1-N 2.84Å; S232-R234 PolarHBondContact O-N 3.05Å
233D76Confident80.2Confident122 Ų12266.5 Ų66.565%0.65237%0.368SS*.  trans57.98.5-174.7-79.7-40.2000115.3Q229 D230 R235Q229-D233 PolarHBondContact NE2-O 3.33Å; Q229-D233 PolarHBondContact NE2-OD1 3.25Å; D230-D233 PolarHBondContact O-N 3.09Å; D230-D233 VanDerWaalsContact O-N 3.12Å; D230-D233 PolarHBondContact OD1-N 3.23Å; D233-R235 PolarHBondContact O-N 3.35Å
234R85.8Confident81.3Confident96 Ų9660.9 Ų60.936%0.36235%0.348SS..  trans-74127.6-179.5-179.7-169.862.998.49.2109.3Q229 D230 S232 L236 D304Q229-R234 WeakPolarHBondContact CA-O 3.3Å; D230-R234 PolarHBondContact N-O 3.11Å; D230-R234 VanDerWaalsContact N-O 3.11Å; D230-R234 WeakPolarHBondContact OD1-CB 3.37Å; D230-R234 PolarHBondContact OD1-N 2.94Å; D230-R234 IonicContact OD2-CZ 3.79Å; D230-R234 IonicContact OD2-NE 3.57Å; D230-R234 PolarHBondContact OD2-NE 2.93Å; D230-R234 IonicContact OD2-NH2 3.93Å; D230-R234 PolarHBondContact OD2-NH2 3.29Å; S232-R234 PolarHBondContact O-N 3.05Å; R234-L236 WeakPolarHBondContact O-CD1 3.35Å; R234-L236 PolarHBondContact O-N 2.83Å; R234-D304 IonicContact CZ-OD1 3.08Å; R234-D304 IonicContact CZ-OD2 3.35Å; R234-D304 IonicContact NH1-OD1 3.59Å; R234-D304 PolarHBondContact NH1-OD1 2.86Å; R234-D304 IonicContact NH1-OD2 2.71Å; R234-D304 PolarHBondContact NH1-OD2 3.36Å; R234-D304 IonicContact NH2-OD1 3.84Å; R234-D304 PolarHBondContact NH2-OD1 3.45Å; R234-D304 IonicContact NH2-OD2 2.67Å
235R83.6Confident82.4Confident119 Ų11963.2 Ų63.245%0.44937%0.366SS..BIsolated β-bridgetrans-71.8107.1178.9-173.1-179.269.3-163.30.1111.2D233 S237 A238D233-R235 PolarHBondContact O-N 3.35Å; R235-S237 PolarHBondContact O-N 2.92Å; R235-S237 VanDerWaalsContact O-N 3.16Å; R235-A238 VanDerWaalsContact O-CB 3.25Å; R235-A238 WeakPolarHBondContact O-CB 3.41Å; R235-A238 PolarHBondContact O-N 3.21Å; R235-A238 VanDerWaalsContact O-N 3.08Å
236L85.1Confident83.4Confident5 Ų570.6 Ų70.63%0.02639%0.393CS..G310 helixtrans-54.7-36.8-178.1-78.669.6000112.6T228 D230 R234 A238 F240 T307 L308T228-L236 HydrophobicContact CG2-CD1 4.38Å; T228-L236 HydrophobicContact CG2-CD2 4.13Å; T228-L236 PolarHBondContact O-N 3.33Å; T228-L236 VanDerWaalsContact O-N 3.16Å; D230-L236 HydrophobicContact CB-CD1 3.82Å; R234-L236 WeakPolarHBondContact O-CD1 3.35Å; R234-L236 PolarHBondContact O-N 2.83Å; L236-A238 PolarHBondContact O-N 3.33Å; L236-F240 WeakPolarHBondContact O-CD2 3.39Å; L236-F240 WeakPolarHBondContact O-CE2 3.43Å; L236-T307 HydrophobicContact CD2-CG2 3.56Å; L236-L308 HydrophobicContact CB-CD1 4.09Å; L236-L308 HydrophobicContact CB-CD2 3.94Å; L236-L308 HydrophobicContact CB-CG 4.04Å; L236-L308 HydrophobicContact CD2-CD2 4.43Å; L236-L308 HydrophobicContact CD2-CG 4.32Å
237S87.2Confident84.4Confident3 Ų376.7 Ų76.72%0.02141%0.411CS..G310 helixtrans-67.1-9.3-177.386.30000114.4F225 R235 A239 F240F225-S237 WeakPolarHBondContact O-CB 3.46Å; F225-S237 PolarHBondContact O-OG 2.85Å; R235-S237 PolarHBondContact O-N 2.92Å; R235-S237 VanDerWaalsContact O-N 3.16Å; S237-A239 PolarHBondContact O-N 3.27Å; S237-F240 PolarHBondContact O-N 3.04Å; S237-F240 VanDerWaalsContact O-N 3.13Å
238A87.4Confident85.4Confident55 Ų5580.7 Ų80.746%0.45542%0.419SS..G310 helixtrans-61-40.1-170.600000113.4R235 L236 F240R235-A238 VanDerWaalsContact O-CB 3.25Å; R235-A238 WeakPolarHBondContact O-CB 3.41Å; R235-A238 PolarHBondContact O-N 3.21Å; R235-A238 VanDerWaalsContact O-N 3.08Å; L236-A238 PolarHBondContact O-N 3.33Å; A238-F240 PolarHBondContact O-N 2.87Å
239A89.1Confident86.1Confident54 Ų5485.1 Ų85.145%0.44644%0.435SS..G310 helixtrans-72.8-11.2179.600000114.1S237 I301S237-A239 PolarHBondContact O-N 3.27Å; A239-I301 HydrophobicContact CB-CG1 4.48Å
240F92.8Very high86.7Confident10 Ų1083.2 Ų83.24%0.04443%0.431CS..G310 helixtrans-106.7-0.7-173.1-56.8-94.8000113.1L236 S237 A238 L262 L287 F288 A291 I301 D304 A305 L308L236-F240 WeakPolarHBondContact O-CD2 3.39Å; L236-F240 WeakPolarHBondContact O-CE2 3.43Å; S237-F240 PolarHBondContact O-N 3.04Å; S237-F240 VanDerWaalsContact O-N 3.13Å; A238-F240 PolarHBondContact O-N 2.87Å; F240-L262 HydrophobicContact CB-CD1 3.83Å; F240-L262 HydrophobicContact CB-CG 4.12Å; F240-L262 WeakPolarHBondContact O-CB 3.49Å; F240-L262 WeakPolarHBondContact O-CG 3.2Å; F240-L262 PolarHBondContact O-N 3.44Å; F240-L287 HydrophobicContact CB-CD1 4.32Å; F240-L287 HydrophobicContact CB-CD2 4.26Å; F240-L287 HydrophobicContact CD1-CD1 4.21Å; F240-L287 HydrophobicContact CD1-CD2 4.47Å; F240-L287 HydrophobicContact CD1-CG 4.08Å; F240-F288 HydrophobicContact CD1-CD1 4.49Å; F240-F288 HydrophobicContact CE1-CD1 4.28Å; F240-A291 HydrophobicContact CD1-CB 4.48Å; F240-A291 HydrophobicContact CE1-CB 3.62Å; F240-A291 HydrophobicContact CZ-CB 4.36Å; F240-I301 HydrophobicContact CZ-CG2 4.28Å; F240-D304 HydrophobicContact CE2-CB 3.79Å; F240-D304 HydrophobicContact CZ-CB 4.03Å; F240-A305 HydrophobicContact CE1-CB 3.87Å; F240-A305 HydrophobicContact CZ-CB 3.79Å; F240-L308 HydrophobicContact CD2-CD1 3.76Å; F240-L308 HydrophobicContact CE2-CD1 3.69Å; F240-L308 HydrophobicContact CG-CD1 4.43Å; F240-L308 HydrophobicContact CZ-CD1 4.27Å
241M89.7Confident87.4Confident60 Ų6084 Ų8430%0.29644%0.435SS..SBendtrans-68.2-36.3-174.8-70.9-58.8-53.500113.5L262 R263M241-L262 HydrophobicContact SD-CB 4.37Å; M241-L262 HydrophobicContact SD-CD1 3.87Å; M241-R263 WeakPolarHBondContact O-CB 3.07Å; M241-R263 PolarHBondContact O-N 3.44Å
242D91.9Very high88.3Confident82 Ų8278.3 Ų78.344%0.43939%0.394SS..SBendtrans-142.9142.2-172.4-64.6-70.5000109.1R263D242-R263 VanDerWaalsContact CG-NH2 3.28Å; D242-R263 IonicContact OD1-CZ 2.75Å; D242-R263 IonicContact OD1-NE 3.16Å; D242-R263 PolarHBondContact OD1-NE 3.05Å; D242-R263 IonicContact OD1-NH2 3.99Å; D242-R263 PolarHBondContact OD1-NH2 3.38Å; D242-R263 IonicContact OD2-CZ 3.99Å; D242-R263 IonicContact OD2-NH2 3.64Å; D242-R263 PolarHBondContact OD2-NH2 2.89Å
243K93Very high89.1Confident71 Ų7176.3 Ų76.331%0.30937%0.372SS..PPolyproline II helixtrans-56.2145.6177.3-74.9155-145.6-158.70112.3S245 P259 D261 T264K243-S245 PolarHBondContact O-N 3.37Å; K243-P259 HydrophobicContact CD-CB 4.02Å; K243-P259 WeakPolarHBondContact CE-O 3.43Å; K243-P259 HydrophobicContact CG-CB 4.2Å; K243-P259 PolarHBondContact NZ-O 3.16Å; K243-D261 WeakPolarHBondContact CE-OD2 3.27Å; K243-D261 HydrophobicContact CG-CB 4.09Å; K243-D261 VanDerWaalsContact CG-OD2 3.28Å; K243-D261 WeakPolarHBondContact CG-OD2 3.5Å; K243-D261 PolarHBondContact N-OD2 2.78Å; K243-T264 WeakPolarHBondContact CE-OG1 3.5Å; K243-T264 PolarHBondContact NZ-OG1 2.92Å
244P91.9Very high89.6Confident41 Ų4178.3 Ų78.327%0.26638%0.378SS..PPolyproline II helixtrans-51.8138.8173.8-28.937.3000112.2R246 Y249 Y252 Y253P244-R246 PolarHBondContact O-N 3.22Å; P244-R246 VanDerWaalsContact O-N 3.14Å; P244-Y249 HydrophobicContact CB-CD2 4.02Å; P244-Y249 HydrophobicContact CB-CG 4.48Å; P244-Y252 HydrophobicContact CB-CD1 4.28Å; P244-Y252 HydrophobicContact CB-CD2 4.31Å; P244-Y252 HydrophobicContact CB-CG 4.16Å; P244-Y252 HydrophobicContact CG-CD1 4.16Å; P244-Y252 HydrophobicContact CG-CD2 3.9Å; P244-Y252 HydrophobicContact CG-CE1 4Å; P244-Y252 HydrophobicContact CG-CE2 3.74Å; P244-Y252 HydrophobicContact CG-CG 4.12Å; P244-Y253 VanDerWaalsContact O-CE2 3.25Å; P244-Y253 WeakPolarHBondContact O-CE2 3.39Å; P244-Y253 PolarHBondContact O-OH 3.33Å
245S91.8Very high89.6Confident63 Ų6376.9 Ų76.944%0.44138%0.379SS..PPolyproline II helixtrans-65.3118-176.5-178.50000111.2K243 K247 K248 Y249K243-S245 PolarHBondContact O-N 3.37Å; S245-K247 PolarHBondContact O-N 3.39Å; S245-K248 PolarHBondContact O-N 3.5Å; S245-Y249 PolarHBondContact O-N 3.29Å
246R92.2Very high90Very high158 Ų15871.3 Ų71.360%0.59636%0.359SS*.THydrogen-bonded Turntrans-55.6-21.4176.7-174.1178.4-99.1-93.29.3113.9P244 P250 Y253P244-R246 PolarHBondContact O-N 3.22Å; P244-R246 VanDerWaalsContact O-N 3.14Å; R246-P250 WeakPolarHBondContact O-CA 3.37Å; R246-Y253 VanDerWaalsContact CA-CE2 3.48Å; R246-Y253 HydrophobicContact CB-CD2 3.85Å; R246-Y253 HydrophobicContact CB-CE2 3.53Å; R246-Y253 HydrophobicContact CG-CD2 3.88Å; R246-Y253 HydrophobicContact CG-CE2 4.1Å; R246-Y253 HydrophobicContact CG-CG 4.31Å
247K88.3Confident90.1Very high199 Ų19976.6 Ų76.687%0.86539%0.393SS*.THydrogen-bonded Turntrans-78.6-29.4173.9-174.9175.5179.5179.60113.2S245S245-K247 PolarHBondContact O-N 3.39Å
248K88.7Confident90.3Very high158 Ų15882.5 Ų82.569%0.68742%0.42SS*.THydrogen-bonded Turntrans-94-36.1179.6-68.1-171.4175.4-172.80112.6S245S245-K248 PolarHBondContact O-N 3.5Å
249Y88.9Confident90.6Very high112 Ų11281.3 Ų81.344%0.43941%0.408SS..  trans-127.671.3-176.6-51.1-81.1000109.1P244 S245 D251 Y252 Y253P244-Y249 HydrophobicContact CB-CD2 4.02Å; P244-Y249 HydrophobicContact CB-CG 4.48Å; S245-Y249 PolarHBondContact O-N 3.29Å; Y249-D251 VanDerWaalsContact C-N 3.28Å; Y249-D251 VanDerWaalsContact C-OD1 3.23Å; Y249-D251 WeakPolarHBondContact CA-OD1 3.44Å; Y249-Y252 WeakPolarHBondContact O-CB 3.22Å; Y249-Y252 PolarHBondContact O-N 3.38Å; Y249-Y253 WeakPolarHBondContact O-CD2 3.3Å
250P91.3Very high90.9Very high65 Ų6579.4 Ų79.442%0.42239%0.39SS..THydrogen-bonded Turntrans-69.4-29.9-179.329.1-34.8000112.3R246 Y253R246-P250 WeakPolarHBondContact O-CA 3.37Å; P250-Y253 PolarHBondContact O-N 3.4Å
251D90.1Very high91Very high64 Ų6479.7 Ų79.734%0.34239%0.392SS..THydrogen-bonded Turntrans-65.3-35.5174.361.3-56.8000112.9Y249 Y253 Q254 V255 Y294Y249-D251 VanDerWaalsContact C-N 3.28Å; Y249-D251 VanDerWaalsContact C-OD1 3.23Å; Y249-D251 WeakPolarHBondContact CA-OD1 3.44Å; D251-Y253 PolarHBondContact O-N 3.38Å; D251-Y253 VanDerWaalsContact O-N 3.12Å; D251-Q254 WeakPolarHBondContact O-CA 3.43Å; D251-Q254 WeakPolarHBondContact O-CB 3.33Å; D251-Q254 PolarHBondContact O-N 3.45Å; D251-V255 PolarHBondContact O-N 3.02Å; D251-Y294 PolarHBondContact OD1-OH 3.25Å; D251-Y294 VanDerWaalsContact OD2-CE2 3.23Å; D251-Y294 WeakPolarHBondContact OD2-CE2 3.26Å; D251-Y294 VanDerWaalsContact OD2-CZ 3.3Å; D251-Y294 PolarHBondContact OD2-OH 2.81Å
252Y92.9Very high91.1Very high12 Ų1277.3 Ų77.35%0.04738%0.38CS..Hα-helixtrans-50.7-40.2173.7-178.6-89.5000112.1P244 Y249 Q254 V255 I256 P259 Y294P244-Y252 HydrophobicContact CB-CD1 4.28Å; P244-Y252 HydrophobicContact CB-CD2 4.31Å; P244-Y252 HydrophobicContact CB-CG 4.16Å; P244-Y252 HydrophobicContact CG-CD1 4.16Å; P244-Y252 HydrophobicContact CG-CD2 3.9Å; P244-Y252 HydrophobicContact CG-CE1 4Å; P244-Y252 HydrophobicContact CG-CE2 3.74Å; P244-Y252 HydrophobicContact CG-CG 4.12Å; Y249-Y252 WeakPolarHBondContact O-CB 3.22Å; Y249-Y252 PolarHBondContact O-N 3.38Å; Y252-Q254 VanDerWaalsContact C-N 3.28Å; Y252-Q254 PolarHBondContact O-N 2.82Å; Y252-V255 PolarHBondContact O-N 3.44Å; Y252-I256 HydrophobicContact CD1-CB 4.43Å; Y252-I256 HydrophobicContact CD2-CG1 4.11Å; Y252-I256 HydrophobicContact CE1-CB 4.05Å; Y252-I256 HydrophobicContact CE1-CG1 4.18Å; Y252-I256 HydrophobicContact CE1-CG2 4.23Å; Y252-I256 HydrophobicContact CE2-CB 4.48Å; Y252-I256 HydrophobicContact CE2-CG1 3.71Å; Y252-I256 HydrophobicContact CG-CG1 4.49Å; Y252-I256 WeakPolarHBondContact O-CB 3.09Å; Y252-I256 PolarHBondContact O-N 3.14Å; Y252-P259 HydrophobicContact CE1-CB 4.16Å; Y252-P259 HydrophobicContact CE1-CG 4.29Å; Y252-Y294 VanDerWaalsContact CA-CE2 3.49Å; Y252-Y294 AromaticContact CD2-CD1 3.57Å; Y252-Y294 HydrophobicContact CD2-CD1 3.57Å; Y252-Y294 AromaticContact CD2-CD2 3.62Å; Y252-Y294 HydrophobicContact CD2-CD2 3.62Å; Y252-Y294 AromaticContact CD2-CE1 3.83Å; Y252-Y294 HydrophobicContact CD2-CE1 3.83Å; Y252-Y294 AromaticContact CD2-CE2 3.91Å; Y252-Y294 HydrophobicContact CD2-CE2 3.91Å; Y252-Y294 AromaticContact CD2-CG 3.44Å; Y252-Y294 HydrophobicContact CD2-CG 3.44Å; Y252-Y294 VanDerWaalsContact CD2-CG 3.44Å; Y252-Y294 AromaticContact CD2-CZ 4Å; Y252-Y294 HydrophobicContact CE2-CD1 4.04Å; Y252-Y294 HydrophobicContact CE2-CD2 4.38Å; Y252-Y294 AromaticContact CE2-CG 3.86Å; Y252-Y294 HydrophobicContact CE2-CG 3.86Å; Y252-Y294 HydrophobicContact CG-CD2 4.36Å; Y252-Y294 HydrophobicContact CG-CE2 4.36Å
253Y92.9Very high91Very high54 Ų5479.7 Ų79.721%0.21238%0.383CS..Hα-helixtrans-83.92.2-179.7-66.2-93.3000114.3P244 R246 Y249 P250 D251 P259P244-Y253 VanDerWaalsContact O-CE2 3.25Å; P244-Y253 WeakPolarHBondContact O-CE2 3.39Å; P244-Y253 PolarHBondContact O-OH 3.33Å; R246-Y253 VanDerWaalsContact CA-CE2 3.48Å; R246-Y253 HydrophobicContact CB-CD2 3.85Å; R246-Y253 HydrophobicContact CB-CE2 3.53Å; R246-Y253 HydrophobicContact CG-CD2 3.88Å; R246-Y253 HydrophobicContact CG-CE2 4.1Å; R246-Y253 HydrophobicContact CG-CG 4.31Å; Y249-Y253 WeakPolarHBondContact O-CD2 3.3Å; P250-Y253 PolarHBondContact O-N 3.4Å; D251-Y253 PolarHBondContact O-N 3.38Å; D251-Y253 VanDerWaalsContact O-N 3.12Å; Y253-P259 HydrophobicContact CD1-CG 3.92Å; Y253-P259 HydrophobicContact CE1-CB 4.22Å; Y253-P259 HydrophobicContact CE1-CG 4.03Å
254Q86.9Confident90.9Very high164 Ų16478.4 Ų78.477%0.76638%0.381SS*.Hα-helixtrans-102.3-32.3169.2-55.6178.323.200110.6D251 Y252D251-Q254 WeakPolarHBondContact O-CA 3.43Å; D251-Q254 WeakPolarHBondContact O-CB 3.33Å; D251-Q254 PolarHBondContact O-N 3.45Å; Y252-Q254 VanDerWaalsContact C-N 3.28Å; Y252-Q254 PolarHBondContact O-N 2.82Å
255V86.5Confident90.8Very high66 Ų6676.4 Ų76.440%0.437%0.369SS..Hα-helixtrans-84.1-43.9178.9175.60000112D251 Y252 P257 Y294D251-V255 PolarHBondContact O-N 3.02Å; Y252-V255 PolarHBondContact O-N 3.44Å; V255-P257 WeakPolarHBondContact O-CD 3.42Å; V255-Y294 HydrophobicContact CB-CD2 4.31Å; V255-Y294 HydrophobicContact CG1-CD2 4.3Å
256I91.1Very high90.5Very high2 Ų280 Ų801%0.0137%0.372CS..  trans-96.2112.9-177.3-60-63.3000110.8Y252 P259 N290 H293Y252-I256 HydrophobicContact CD1-CB 4.43Å; Y252-I256 HydrophobicContact CD2-CG1 4.11Å; Y252-I256 HydrophobicContact CE1-CB 4.05Å; Y252-I256 HydrophobicContact CE1-CG1 4.18Å; Y252-I256 HydrophobicContact CE1-CG2 4.23Å; Y252-I256 HydrophobicContact CE2-CB 4.48Å; Y252-I256 HydrophobicContact CE2-CG1 3.71Å; Y252-I256 HydrophobicContact CG-CG1 4.49Å; Y252-I256 WeakPolarHBondContact O-CB 3.09Å; Y252-I256 PolarHBondContact O-N 3.14Å; I256-P259 HydrophobicContact CG2-CG 4.13Å; I256-N290 HydrophobicContact CD1-CB 4.27Å; I256-N290 WeakPolarHBondContact CD1-O 3.45Å; I256-N290 HydrophobicContact CG2-CB 4.17Å; I256-N290 WeakPolarHBondContact CG2-OD1 3.46Å; I256-H293 HydrophobicContact CD1-CB 3.96Å
257P86.8Confident90.2Very high115 Ų11574.9 Ų74.975%0.74736%0.361SS*.SBendtrans-75.7-31.4-175.629.9-35.1000113.4V255 P259V255-P257 WeakPolarHBondContact O-CD 3.42Å; P257-P259 WeakPolarHBondContact O-CD 3.32Å
258E91.7Very high90.2Very high127 Ų12765.9 Ų65.959%0.59332%0.323SS*.SBendtrans-125.874-176.3-66.9178.5-158.700111.8I260 L286 N290E258-I260 PolarHBondContact O-N 3.31Å; E258-L286 HydrophobicContact CB-CD1 4.38Å; E258-L286 HydrophobicContact CB-CD2 4.19Å; E258-N290 PolarHBondContact O-ND2 3.29Å
259P94.9Very high89.7Confident31 Ų3159.2 Ų59.220%0.20130%0.295CS..  trans-63120.5179.1-26.136.9000113.5K243 Y252 Y253 I256 P257K243-P259 HydrophobicContact CD-CB 4.02Å; K243-P259 WeakPolarHBondContact CE-O 3.43Å; K243-P259 HydrophobicContact CG-CB 4.2Å; K243-P259 PolarHBondContact NZ-O 3.16Å; Y252-P259 HydrophobicContact CE1-CB 4.16Å; Y252-P259 HydrophobicContact CE1-CG 4.29Å; Y253-P259 HydrophobicContact CD1-CG 3.92Å; Y253-P259 HydrophobicContact CE1-CB 4.22Å; Y253-P259 HydrophobicContact CE1-CG 4.03Å; I256-P259 HydrophobicContact CG2-CG 4.13Å; P257-P259 WeakPolarHBondContact O-CD 3.32Å
260I95.4Very high89.1Confident14 Ų1458.6 Ų58.67%0.07230%0.296CS..  trans-126.9156.5177.3-162.7165.5000111.2E258 T264 I265 D283 L286 L287E258-I260 PolarHBondContact O-N 3.31Å; I260-T264 HydrophobicContact CG1-CG2 4.22Å; I260-I265 HydrophobicContact CD1-CD1 4.15Å; I260-I265 HydrophobicContact CD1-CG1 3.72Å; I260-I265 HydrophobicContact CG1-CD1 4.42Å; I260-I265 HydrophobicContact CG1-CG1 4.02Å; I260-D283 HydrophobicContact CD1-CB 3.74Å; I260-D283 WeakPolarHBondContact CD1-OD2 3.49Å; I260-L286 HydrophobicContact CB-CD2 4.34Å; I260-L286 HydrophobicContact CD1-CD2 4.32Å; I260-L286 HydrophobicContact CG2-CB 4.37Å; I260-L286 HydrophobicContact CG2-CD2 4.09Å; I260-L286 HydrophobicContact CG2-CG 3.87Å; I260-L287 HydrophobicContact CG2-CB 3.84Å; I260-L287 HydrophobicContact CG2-CD1 4.15Å
261D94.2Very high88.5Confident15 Ų1558.1 Ų58.18%0.0830%0.298CS..  trans-143.4164.6174.355.338.1000111K243 R263 T264 I265K243-D261 WeakPolarHBondContact CE-OD2 3.27Å; K243-D261 HydrophobicContact CG-CB 4.09Å; K243-D261 VanDerWaalsContact CG-OD2 3.28Å; K243-D261 WeakPolarHBondContact CG-OD2 3.5Å; K243-D261 PolarHBondContact N-OD2 2.78Å; D261-R263 PolarHBondContact O-N 3.31Å; D261-R263 PolarHBondContact OD1-N 3.3Å; D261-T264 WeakPolarHBondContact O-CB 3.23Å; D261-T264 PolarHBondContact O-N 2.87Å; D261-T264 VanDerWaalsContact O-N 3.11Å; D261-T264 VanDerWaalsContact OD1-CB 3.25Å; D261-T264 WeakPolarHBondContact OD1-CB 3.27Å; D261-T264 PolarHBondContact OD1-N 3.42Å; D261-T264 PolarHBondContact OD1-OG1 3.41Å; D261-I265 PolarHBondContact O-N 2.73Å; D261-I265 VanDerWaalsContact O-N 3.16Å
262L91.2Very high87.5Confident10 Ų1059.2 Ų59.25%0.05230%0.303CS..Hα-helixtrans-60.6-27.9179.6-70.5170.5000112.7L222 F225 F240 M241 R266 F284 L287L222-L262 HydrophobicContact CD2-CD2 4.38Å; F225-L262 HydrophobicContact CD2-CD2 4.23Å; F240-L262 HydrophobicContact CB-CD1 3.83Å; F240-L262 HydrophobicContact CB-CG 4.12Å; F240-L262 WeakPolarHBondContact O-CB 3.49Å; F240-L262 WeakPolarHBondContact O-CG 3.2Å; F240-L262 PolarHBondContact O-N 3.44Å; M241-L262 HydrophobicContact SD-CB 4.37Å; M241-L262 HydrophobicContact SD-CD1 3.87Å; L262-R266 WeakPolarHBondContact O-CB 3.48Å; L262-R266 PolarHBondContact O-N 2.91Å; L262-F284 HydrophobicContact CD2-CD1 4.29Å; L262-F284 HydrophobicContact CD2-CE1 3.74Å; L262-L287 HydrophobicContact CD2-CD2 3.46Å; L262-L287 VanDerWaalsContact CD2-CD2 3.46Å; L262-L287 HydrophobicContact CG-CD2 3.7Å
263R89.7Confident87Confident132 Ų13265.3 Ų65.350%0.49833%0.326SS..Hα-helixtrans-67.4-41.8175.5-166.9-177.3-54.9-88.1-0.9111.4M241 D242 D261 R266 S267M241-R263 WeakPolarHBondContact O-CB 3.07Å; M241-R263 PolarHBondContact O-N 3.44Å; D242-R263 VanDerWaalsContact CG-NH2 3.28Å; D242-R263 IonicContact OD1-CZ 2.75Å; D242-R263 IonicContact OD1-NE 3.16Å; D242-R263 PolarHBondContact OD1-NE 3.05Å; D242-R263 IonicContact OD1-NH2 3.99Å; D242-R263 PolarHBondContact OD1-NH2 3.38Å; D242-R263 IonicContact OD2-CZ 3.99Å; D242-R263 IonicContact OD2-NH2 3.64Å; D242-R263 PolarHBondContact OD2-NH2 2.89Å; D261-R263 PolarHBondContact O-N 3.31Å; D261-R263 PolarHBondContact OD1-N 3.3Å; R263-R266 PolarHBondContact O-N 3.43Å; R263-S267 WeakPolarHBondContact O-CB 3.41Å; R263-S267 PolarHBondContact O-N 3.37Å; R263-S267 PolarHBondContact O-OG 3.47Å; R263-S267 VanDerWaalsContact O-OG 3.06Å
264T92.2Very high86.2Confident44 Ų4463.7 Ų63.727%0.2732%0.32SS..Hα-helixtrans-60.9-49.7175.2-56.90000110.5K243 I260 D261 R266 S267 S268K243-T264 WeakPolarHBondContact CE-OG1 3.5Å; K243-T264 PolarHBondContact NZ-OG1 2.92Å; I260-T264 HydrophobicContact CG1-CG2 4.22Å; D261-T264 WeakPolarHBondContact O-CB 3.23Å; D261-T264 PolarHBondContact O-N 2.87Å; D261-T264 VanDerWaalsContact O-N 3.11Å; D261-T264 VanDerWaalsContact OD1-CB 3.25Å; D261-T264 WeakPolarHBondContact OD1-CB 3.27Å; D261-T264 PolarHBondContact OD1-N 3.42Å; D261-T264 PolarHBondContact OD1-OG1 3.41Å; T264-R266 PolarHBondContact O-N 2.9Å; T264-S267 PolarHBondContact O-N 3Å; T264-S268 PolarHBondContact O-N 3.19Å; T264-S268 PolarHBondContact O-OG 2.89Å
265I89.2Confident85.3Confident0 Ų061 Ų610%032%0.316CS..Hα-helixtrans-61.2-46.2178.8-59.7176.2000110.6I260 D261 S267 S268 I269 Y274 D283 F284 L287I260-I265 HydrophobicContact CD1-CD1 4.15Å; I260-I265 HydrophobicContact CD1-CG1 3.72Å; I260-I265 HydrophobicContact CG1-CD1 4.42Å; I260-I265 HydrophobicContact CG1-CG1 4.02Å; D261-I265 PolarHBondContact O-N 2.73Å; D261-I265 VanDerWaalsContact O-N 3.16Å; I265-S267 PolarHBondContact O-N 3.09Å; I265-S268 WeakPolarHBondContact O-CB 3.44Å; I265-S268 PolarHBondContact O-N 3.1Å; I265-S268 VanDerWaalsContact O-N 3.1Å; I265-I269 HydrophobicContact CG2-CD1 4.11Å; I265-I269 PolarHBondContact O-N 2.96Å; I265-Y274 HydrophobicContact CG2-CE2 4.4Å; I265-D283 HydrophobicContact CD1-CB 4.2Å; I265-D283 WeakPolarHBondContact CD1-O 3.29Å; I265-D283 HydrophobicContact CG1-CB 4.12Å; I265-F284 HydrophobicContact CD1-CD1 3.78Å; I265-F284 HydrophobicContact CD1-CE1 3.97Å; I265-F284 HydrophobicContact CD1-CG 4.2Å; I265-F284 HydrophobicContact CG2-CD2 4.35Å; I265-F284 HydrophobicContact CG2-CE1 4Å; I265-F284 HydrophobicContact CG2-CE2 3.78Å; I265-F284 HydrophobicContact CG2-CZ 3.6Å; I265-L287 HydrophobicContact CD1-CB 4.31Å; I265-L287 HydrophobicContact CD1-CD2 4.17Å
266R85.9Confident84.5Confident137 Ų13759.5 Ų59.552%0.51731%0.309SS..Hα-helixtrans-57.8-46.5175.6177.8175.4175.3165.82.3112.1L222 L262 R263 T264 S268 I269 E270L222-R266 HydrophobicContact CD1-CB 3.87Å; L222-R266 HydrophobicContact CD1-CG 3.95Å; L222-R266 HydrophobicContact CD2-CB 4.33Å; L262-R266 WeakPolarHBondContact O-CB 3.48Å; L262-R266 PolarHBondContact O-N 2.91Å; R263-R266 PolarHBondContact O-N 3.43Å; T264-R266 PolarHBondContact O-N 2.9Å; R266-S268 VanDerWaalsContact C-N 3.26Å; R266-S268 PolarHBondContact O-N 3.18Å; R266-I269 PolarHBondContact O-N 2.92Å; R266-E270 HydrophobicContact CG-CG 4.42Å; R266-E270 IonicContact CZ-OE1 3.7Å; R266-E270 IonicContact NE-OE1 3.95Å; R266-E270 PolarHBondContact NE-OE1 3.09Å; R266-E270 IonicContact NH2-OE1 2.66Å; R266-E270 PolarHBondContact NH2-OE1 3.4Å; R266-E270 VanDerWaalsContact NH2-OE1 3.1Å; R266-E270 WeakPolarHBondContact O-CB 3.48Å; R266-E270 WeakPolarHBondContact O-CG 3.21Å; R266-E270 PolarHBondContact O-N 2.81Å
267S85.8Confident83.5Confident51 Ų5160.7 Ų60.736%0.35732%0.317SS..Hα-helixtrans-63.4-31.6176.2-63.20000112.7R263 T264 I265 A271R263-S267 WeakPolarHBondContact O-CB 3.41Å; R263-S267 PolarHBondContact O-N 3.37Å; R263-S267 PolarHBondContact O-OG 3.47Å; R263-S267 VanDerWaalsContact O-OG 3.06Å; T264-S267 PolarHBondContact O-N 3Å; I265-S267 PolarHBondContact O-N 3.09Å; S267-A271 WeakPolarHBondContact O-CB 3.25Å; S267-A271 PolarHBondContact O-N 3.09Å
268S87.3Confident82.9Confident10 Ų1058.4 Ų58.47%0.0730%0.299CS..Hα-helixtrans-72.5-36174.4-69.70000113T264 I265 R266 D272 R273 Y274T264-S268 PolarHBondContact O-N 3.19Å; T264-S268 PolarHBondContact O-OG 2.89Å; I265-S268 WeakPolarHBondContact O-CB 3.44Å; I265-S268 PolarHBondContact O-N 3.1Å; I265-S268 VanDerWaalsContact O-N 3.1Å; R266-S268 VanDerWaalsContact C-N 3.26Å; R266-S268 PolarHBondContact O-N 3.18Å; S268-D272 PolarHBondContact O-N 3.36Å; S268-D272 VanDerWaalsContact O-N 3.16Å; S268-R273 PolarHBondContact O-N 3.46Å; S268-R273 PolarHBondContact OG-NE 2.95Å; S268-R273 PolarHBondContact OG-NH2 2.7Å; S268-Y274 VanDerWaalsContact CB-CZ 3.43Å; S268-Y274 WeakPolarHBondContact CB-OH 3.44Å
269I78.7Confident82.3Confident18 Ų1854.3 Ų54.39%0.09229%0.285CS..Hα-helixtrans-66.1-46.3170.4-66.8164.3000110.6L222 I265 R266 A271 D272 Y274 M280L222-I269 HydrophobicContact CD1-CD1 3.76Å; L222-I269 HydrophobicContact CG-CD1 4.29Å; I265-I269 HydrophobicContact CG2-CD1 4.11Å; I265-I269 PolarHBondContact O-N 2.96Å; R266-I269 PolarHBondContact O-N 2.92Å; I269-A271 VanDerWaalsContact C-N 3.28Å; I269-A271 PolarHBondContact O-N 3.14Å; I269-D272 PolarHBondContact O-N 3.07Å; I269-Y274 HydrophobicContact CG1-CD2 3.95Å; I269-Y274 HydrophobicContact CG1-CE2 3.83Å; I269-M280 HydrophobicContact CD1-CG 4.43Å; I269-M280 HydrophobicContact CD1-SD 4Å; I269-M280 HydrophobicContact CG1-CG 4.46Å; I269-M280 HydrophobicContact CG1-SD 4.17Å
270E76.3Confident81.8Confident100 Ų10053 Ų5347%0.46728%0.276SS..Hα-helixtrans-64.5-34-178.7-73.3171.8174.100112K187 R266K187-E270 PolarHBondContact NZ-O 2.91Å; R266-E270 HydrophobicContact CG-CG 4.42Å; R266-E270 IonicContact CZ-OE1 3.7Å; R266-E270 IonicContact NE-OE1 3.95Å; R266-E270 PolarHBondContact NE-OE1 3.09Å; R266-E270 IonicContact NH2-OE1 2.66Å; R266-E270 PolarHBondContact NH2-OE1 3.4Å; R266-E270 VanDerWaalsContact NH2-OE1 3.1Å; R266-E270 WeakPolarHBondContact O-CB 3.48Å; R266-E270 WeakPolarHBondContact O-CG 3.21Å; R266-E270 PolarHBondContact O-N 2.81Å
271A78.4Confident81.2Confident55 Ų5553.1 Ų53.146%0.45528%0.279SS..THydrogen-bonded Turntrans-93.610.5178.100000115.5S267 I269 R273S267-A271 WeakPolarHBondContact O-CB 3.25Å; S267-A271 PolarHBondContact O-N 3.09Å; I269-A271 VanDerWaalsContact C-N 3.28Å; I269-A271 PolarHBondContact O-N 3.14Å; A271-R273 VanDerWaalsContact C-N 3.33Å; A271-R273 HydrophobicContact CB-CG 4.25Å; A271-R273 PolarHBondContact O-N 3.42Å
272D70.4Confident80.8Confident87 Ų8754 Ų5447%0.46529%0.289SS..THydrogen-bonded Turntrans5737175.2-151.935.4000114.8W211 S268 I269W211-D272 PolarHBondContact NE1-OD1 3.27Å; W211-D272 PolarHBondContact NE1-OD2 3.3Å; S268-D272 PolarHBondContact O-N 3.36Å; S268-D272 VanDerWaalsContact O-N 3.16Å; I269-D272 PolarHBondContact O-N 3.07Å
273R80.9Confident80.8Confident140 Ų14055.4 Ų55.453%0.52830%0.296SS..  trans-84.4-6-176.1-68.8-165.3-69.6-106.64.2115.2S268 A271S268-R273 PolarHBondContact O-N 3.46Å; S268-R273 PolarHBondContact OG-NE 2.95Å; S268-R273 PolarHBondContact OG-NH2 2.7Å; A271-R273 VanDerWaalsContact C-N 3.33Å; A271-R273 HydrophobicContact CB-CG 4.25Å; A271-R273 PolarHBondContact O-N 3.42Å
274Y77.5Confident80.8Confident20 Ų2049.1 Ų49.18%0.07827%0.272CS..  trans-102.3112.2-178.6-63.7-62.2000111.4I265 S268 I269 S276 M280 D283I265-Y274 HydrophobicContact CG2-CE2 4.4Å; S268-Y274 VanDerWaalsContact CB-CZ 3.43Å; S268-Y274 WeakPolarHBondContact CB-OH 3.44Å; I269-Y274 HydrophobicContact CG1-CD2 3.95Å; I269-Y274 HydrophobicContact CG1-CE2 3.83Å; Y274-S276 PolarHBondContact O-N 3.03Å; Y274-M280 HydrophobicContact CD1-CB 4.06Å; Y274-M280 HydrophobicContact CD2-CB 3.86Å; Y274-M280 HydrophobicContact CD2-CG 3.94Å; Y274-M280 HydrophobicContact CE1-CB 4.47Å; Y274-M280 HydrophobicContact CE2-CB 4.28Å; Y274-M280 HydrophobicContact CE2-CG 4.05Å; Y274-M280 HydrophobicContact CG-CB 3.74Å; Y274-M280 HydrophobicContact CG-CG 4.34Å; Y274-D283 HydrophobicContact CE1-CB 4.17Å; Y274-D283 VanDerWaalsContact CE1-OD2 3.3Å; Y274-D283 WeakPolarHBondContact CE1-OD2 3.18Å; Y274-D283 VanDerWaalsContact CZ-OD2 3.3Å; Y274-D283 PolarHBondContact OH-OD2 3.18Å
275P68.2Low80.7Confident106 Ų10647.8 Ų47.869%0.68826%0.264SS*.SBendtrans-72.7-10.8-179.529.7-36.3000113.9
276S69.7Low81Confident35 Ų3550 Ų5025%0.24528%0.275CS..SBendtrans-158.5164.2178.769.80000112.1Y274 N278 S279 M280Y274-S276 PolarHBondContact O-N 3.03Å; S276-N278 PolarHBondContact O-N 2.95Å; S276-N278 PolarHBondContact OG-N 3.38Å; S276-S279 PolarHBondContact O-N 2.75Å; S276-S279 PolarHBondContact OG-N 2.96Å; S276-M280 PolarHBondContact O-N 2.85Å
277S70.2Confident81.4Confident27 Ų2743.8 Ų43.819%0.18925%0.252CS..Hα-helixtrans-57.6-32.8172.353.80000112.8M280 A281S277-M280 PolarHBondContact O-N 2.54Å; S277-A281 WeakPolarHBondContact O-CB 3.3Å; S277-A281 PolarHBondContact O-N 3.1Å
278N72.4Confident81.8Confident67 Ų6741.4 Ų41.436%0.35824%0.235SC..Hα-helixtrans-71.8-40.2-178.2-57.3-1.8000110.7S276 M280 A281 A282 N401S276-N278 PolarHBondContact O-N 2.95Å; S276-N278 PolarHBondContact OG-N 3.38Å; N278-M280 VanDerWaalsContact C-N 3.27Å; N278-M280 PolarHBondContact O-N 2.76Å; N278-A281 PolarHBondContact O-N 3.37Å; N278-A282 PolarHBondContact O-N 3.16Å; N278-N401 PolarHBondContact ND2-ND2 3.27Å; N278-N401 VanDerWaalsContact ND2-ND2 3.12Å
279S79.8Confident82.1Confident42 Ų4242.3 Ų42.329%0.29424%0.238SC..Hα-helixtrans-62.7-34.8175.7-176.40000112.4S276S276-S279 PolarHBondContact O-N 2.75Å; S276-S279 PolarHBondContact OG-N 2.96Å
280M83.8Confident82.8Confident3 Ų342 Ų422%0.01524%0.237CC..Hα-helixtrans-76.2-37.6174.4179.6-165.471.500112.2N217 G218 I269 Y274 S276 S277 N278 A282 D283 F284N217-M280 HydrophobicContact CB-CE 4.04Å; G218-M280 WeakPolarHBondContact CA-SD 3.02Å; I269-M280 HydrophobicContact CD1-CG 4.43Å; I269-M280 HydrophobicContact CD1-SD 4Å; I269-M280 HydrophobicContact CG1-CG 4.46Å; I269-M280 HydrophobicContact CG1-SD 4.17Å; Y274-M280 HydrophobicContact CD1-CB 4.06Å; Y274-M280 HydrophobicContact CD2-CB 3.86Å; Y274-M280 HydrophobicContact CD2-CG 3.94Å; Y274-M280 HydrophobicContact CE1-CB 4.47Å; Y274-M280 HydrophobicContact CE2-CB 4.28Å; Y274-M280 HydrophobicContact CE2-CG 4.05Å; Y274-M280 HydrophobicContact CG-CB 3.74Å; Y274-M280 HydrophobicContact CG-CG 4.34Å; S276-M280 PolarHBondContact O-N 2.85Å; S277-M280 PolarHBondContact O-N 2.54Å; N278-M280 VanDerWaalsContact C-N 3.27Å; N278-M280 PolarHBondContact O-N 2.76Å; M280-A282 VanDerWaalsContact C-N 3.31Å; M280-A282 PolarHBondContact O-N 3.36Å; M280-D283 PolarHBondContact O-N 3.12Å; M280-F284 HydrophobicContact CG-CD2 4.23Å; M280-F284 HydrophobicContact CG-CE2 3.99Å; M280-F284 WeakPolarHBondContact O-CD2 3.27Å; M280-F284 PolarHBondContact O-N 2.9Å; M280-F284 HydrophobicContact SD-CE2 4.4Å
281A82.9Confident83.6Confident17 Ų1737.7 Ų37.714%0.1422%0.218CC..Hα-helixtrans-62.8-38.3175.400000111.8S277 N278 D283 F284 D285 F312S277-A281 WeakPolarHBondContact O-CB 3.3Å; S277-A281 PolarHBondContact O-N 3.1Å; N278-A281 PolarHBondContact O-N 3.37Å; A281-D283 VanDerWaalsContact C-N 3.33Å; A281-D283 PolarHBondContact O-N 2.69Å; A281-F284 PolarHBondContact O-N 3.23Å; A281-F284 VanDerWaalsContact O-N 3.14Å; A281-D285 PolarHBondContact O-N 3.18Å; A281-F312 HydrophobicContact CB-CE1 4.01Å; A281-F312 HydrophobicContact CB-CZ 4.2Å
282A86.2Confident84.3Confident34 Ų3436.8 Ų36.828%0.28120%0.204SC..Hα-helixtrans-58.4-40.8175.300000112.9N278 M280 D285 L286N278-A282 PolarHBondContact O-N 3.16Å; M280-A282 VanDerWaalsContact C-N 3.31Å; M280-A282 PolarHBondContact O-N 3.36Å; A282-D285 PolarHBondContact O-N 2.65Å; A282-L286 WeakPolarHBondContact O-CB 3.34Å; A282-L286 PolarHBondContact O-N 3.23Å
283D91Very high85.3Confident39 Ų3938.1 Ų38.121%0.20921%0.207CC..Hα-helixtrans-67.9-33.9175.9-86.729000112.6I260 I265 Y274 M280 A281 L287I260-D283 HydrophobicContact CD1-CB 3.74Å; I260-D283 WeakPolarHBondContact CD1-OD2 3.49Å; I265-D283 HydrophobicContact CD1-CB 4.2Å; I265-D283 WeakPolarHBondContact CD1-O 3.29Å; I265-D283 HydrophobicContact CG1-CB 4.12Å; Y274-D283 HydrophobicContact CE1-CB 4.17Å; Y274-D283 VanDerWaalsContact CE1-OD2 3.3Å; Y274-D283 WeakPolarHBondContact CE1-OD2 3.18Å; Y274-D283 VanDerWaalsContact CZ-OD2 3.3Å; Y274-D283 PolarHBondContact OH-OD2 3.18Å; M280-D283 PolarHBondContact O-N 3.12Å; A281-D283 VanDerWaalsContact C-N 3.33Å; A281-D283 PolarHBondContact O-N 2.69Å; D283-L287 PolarHBondContact O-N 2.75Å; D283-L287 VanDerWaalsContact O-N 3.07Å
284F90.7Very high85.9Confident0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-70-42.7172-79.4-66.7000112L222 F225 L262 I265 M280 A281 L287 F288 F312L222-F284 HydrophobicContact CD2-CE1 4.41Å; L222-F284 HydrophobicContact CD2-CZ 4.17Å; L222-F284 HydrophobicContact CG-CZ 4.31Å; F225-F284 HydrophobicContact CD2-CE1 4.08Å; F225-F284 AromaticContact CE2-CD1 3.72Å; F225-F284 HydrophobicContact CE2-CD1 3.72Å; F225-F284 AromaticContact CE2-CE1 3.45Å; F225-F284 HydrophobicContact CE2-CE1 3.45Å; F225-F284 VanDerWaalsContact CE2-CE1 3.45Å; F225-F284 HydrophobicContact CE2-CZ 4.1Å; F225-F284 HydrophobicContact CZ-CD1 4.36Å; F225-F284 HydrophobicContact CZ-CE1 4.47Å; L262-F284 HydrophobicContact CD2-CD1 4.29Å; L262-F284 HydrophobicContact CD2-CE1 3.74Å; I265-F284 HydrophobicContact CD1-CD1 3.78Å; I265-F284 HydrophobicContact CD1-CE1 3.97Å; I265-F284 HydrophobicContact CD1-CG 4.2Å; I265-F284 HydrophobicContact CG2-CD2 4.35Å; I265-F284 HydrophobicContact CG2-CE1 4Å; I265-F284 HydrophobicContact CG2-CE2 3.78Å; I265-F284 HydrophobicContact CG2-CZ 3.6Å; M280-F284 HydrophobicContact CG-CD2 4.23Å; M280-F284 HydrophobicContact CG-CE2 3.99Å; M280-F284 WeakPolarHBondContact O-CD2 3.27Å; M280-F284 PolarHBondContact O-N 2.9Å; M280-F284 HydrophobicContact SD-CE2 4.4Å; A281-F284 PolarHBondContact O-N 3.23Å; A281-F284 VanDerWaalsContact O-N 3.14Å; F284-L287 WeakPolarHBondContact O-CB 3.39Å; F284-L287 PolarHBondContact O-N 2.93Å; F284-F288 HydrophobicContact CB-CE2 4.24Å; F284-F288 WeakPolarHBondContact O-CD2 3.44Å; F284-F288 WeakPolarHBondContact O-CE2 3.41Å; F284-F288 WeakPolarHBondContact O-CG 3.44Å; F284-F288 PolarHBondContact O-N 3.25Å; F284-F312 HydrophobicContact CB-CD1 4.11Å; F284-F312 HydrophobicContact CB-CE1 3.66Å; F284-F312 HydrophobicContact CB-CE2 4.35Å; F284-F312 HydrophobicContact CB-CZ 3.8Å; F284-F312 HydrophobicContact CD2-CE1 4.18Å; F284-F312 AromaticContact CD2-CE2 3.61Å; F284-F312 HydrophobicContact CD2-CE2 3.61Å; F284-F312 AromaticContact CD2-CZ 3.4Å; F284-F312 HydrophobicContact CD2-CZ 3.4Å; F284-F312 VanDerWaalsContact CD2-CZ 3.4Å; F284-F312 HydrophobicContact CE2-CE2 4.01Å; F284-F312 HydrophobicContact CE2-CZ 4.19Å; F284-F312 HydrophobicContact CG-CE1 4.19Å; F284-F312 AromaticContact CG-CE2 3.99Å; F284-F312 HydrophobicContact CG-CE2 3.99Å; F284-F312 AromaticContact CG-CZ 3.81Å; F284-F312 HydrophobicContact CG-CZ 3.81Å
285D90.6Very high86.5Confident16 Ų1635.1 Ų35.19%0.08620%0.199CC..Hα-helixtrans-62-42.6173.1-79.3-47.3000110.8A281 A282 L287 F288 E289 R313A281-D285 PolarHBondContact O-N 3.18Å; A282-D285 PolarHBondContact O-N 2.65Å; D285-L287 VanDerWaalsContact C-N 3.32Å; D285-L287 PolarHBondContact O-N 3.04Å; D285-F288 PolarHBondContact O-N 3.11Å; D285-E289 WeakPolarHBondContact O-CB 3.49Å; D285-E289 WeakPolarHBondContact O-CG 3.22Å; D285-E289 PolarHBondContact O-N 2.91Å; D285-R313 IonicContact OD1-CZ 2.67Å; D285-R313 IonicContact OD1-NE 2.76Å; D285-R313 IonicContact OD1-NH2 3.53Å; D285-R313 PolarHBondContact OD1-NH2 3.23Å
286L94.2Very high87.3Confident45 Ų4538 Ų3824%0.23620%0.203CC..Hα-helixtrans-57.3-42.5175177.863.3000112.1E258 I260 A282 F288 N290E258-L286 HydrophobicContact CB-CD1 4.38Å; E258-L286 HydrophobicContact CB-CD2 4.19Å; I260-L286 HydrophobicContact CB-CD2 4.34Å; I260-L286 HydrophobicContact CD1-CD2 4.32Å; I260-L286 HydrophobicContact CG2-CB 4.37Å; I260-L286 HydrophobicContact CG2-CD2 4.09Å; I260-L286 HydrophobicContact CG2-CG 3.87Å; A282-L286 WeakPolarHBondContact O-CB 3.34Å; A282-L286 PolarHBondContact O-N 3.23Å; L286-F288 PolarHBondContact O-N 3.43Å; L286-N290 WeakPolarHBondContact O-CB 3.48Å; L286-N290 PolarHBondContact O-N 3.46Å; L286-N290 PolarHBondContact O-ND2 3.38Å
287L94.9Very high88Confident8 Ų841.7 Ų41.74%0.04222%0.221CC..Hα-helixtrans-58.3-46.8175.5176.669.3000112.2F240 I260 L262 I265 D283 F284 D285 A291F240-L287 HydrophobicContact CB-CD1 4.32Å; F240-L287 HydrophobicContact CB-CD2 4.26Å; F240-L287 HydrophobicContact CD1-CD1 4.21Å; F240-L287 HydrophobicContact CD1-CD2 4.47Å; F240-L287 HydrophobicContact CD1-CG 4.08Å; I260-L287 HydrophobicContact CG2-CB 3.84Å; I260-L287 HydrophobicContact CG2-CD1 4.15Å; L262-L287 HydrophobicContact CD2-CD2 3.46Å; L262-L287 VanDerWaalsContact CD2-CD2 3.46Å; L262-L287 HydrophobicContact CG-CD2 3.7Å; I265-L287 HydrophobicContact CD1-CB 4.31Å; I265-L287 HydrophobicContact CD1-CD2 4.17Å; D283-L287 PolarHBondContact O-N 2.75Å; D283-L287 VanDerWaalsContact O-N 3.07Å; F284-L287 WeakPolarHBondContact O-CB 3.39Å; F284-L287 PolarHBondContact O-N 2.93Å; D285-L287 VanDerWaalsContact C-N 3.32Å; D285-L287 PolarHBondContact O-N 3.04Å; L287-A291 PolarHBondContact O-N 3.42Å
288F93.5Very high88.6Confident1 Ų142.6 Ų42.60%0.00423%0.234CC..Hα-helixtrans-75.1-38.8-177.8-57.7-49.8000112.4F225 F240 F284 D285 L286 A291 K292 A305 L308 F312F225-F288 HydrophobicContact CE1-CZ 4.13Å; F225-F288 HydrophobicContact CE2-CZ 4.37Å; F225-F288 HydrophobicContact CZ-CE2 4.35Å; F225-F288 AromaticContact CZ-CZ 3.84Å; F225-F288 HydrophobicContact CZ-CZ 3.84Å; F240-F288 HydrophobicContact CD1-CD1 4.49Å; F240-F288 HydrophobicContact CE1-CD1 4.28Å; F284-F288 HydrophobicContact CB-CE2 4.24Å; F284-F288 WeakPolarHBondContact O-CD2 3.44Å; F284-F288 WeakPolarHBondContact O-CE2 3.41Å; F284-F288 WeakPolarHBondContact O-CG 3.44Å; F284-F288 PolarHBondContact O-N 3.25Å; D285-F288 PolarHBondContact O-N 3.11Å; L286-F288 PolarHBondContact O-N 3.43Å; F288-A291 PolarHBondContact O-N 3Å; F288-K292 WeakPolarHBondContact O-CG 3.45Å; F288-K292 PolarHBondContact O-N 2.93Å; F288-K292 VanDerWaalsContact O-N 3.09Å; F288-A305 HydrophobicContact CB-CB 4.39Å; F288-A305 HydrophobicContact CD1-CB 4.45Å; F288-L308 HydrophobicContact CD1-CB 4.12Å; F288-L308 HydrophobicContact CE1-CB 3.38Å; F288-L308 HydrophobicContact CE1-CD1 4.06Å; F288-L308 HydrophobicContact CE1-CG 4.37Å; F288-L308 HydrophobicContact CZ-CB 3.7Å; F288-F312 HydrophobicContact CE2-CB 4.37Å
289E93Very high89.5Confident28 Ų2841 Ų4113%0.13123%0.228CC..Hα-helixtrans-72.1-35.5179-65.2-62.9112.800111.9D285 A291 K292 H293 Q392 N396D285-E289 WeakPolarHBondContact O-CB 3.49Å; D285-E289 WeakPolarHBondContact O-CG 3.22Å; D285-E289 PolarHBondContact O-N 2.91Å; E289-A291 VanDerWaalsContact C-N 3.28Å; E289-A291 PolarHBondContact O-N 2.76Å; E289-K292 PolarHBondContact O-N 3.09Å; E289-K292 WeakPolarHBondContact OE1-CD 3.4Å; E289-K292 WeakPolarHBondContact OE1-CE 3.35Å; E289-K292 IonicContact OE1-NZ 3.46Å; E289-K292 PolarHBondContact OE1-NZ 3.49Å; E289-H293 VanDerWaalsContact O-CB 3.28Å; E289-H293 WeakPolarHBondContact O-CB 3.4Å; E289-H293 PolarHBondContact O-N 2.72Å; E289-Q392 PolarHBondContact OE2-NE2 3.12Å; E289-N396 WeakPolarHBondContact CG-ND2 3.28Å; E289-N396 PolarHBondContact OE2-ND2 2.8Å; E289-N396 PolarHBondContact OE2-OD1 3.22Å
290N94.3Very high90Very high13 Ų1343.2 Ų43.27%0.0724%0.239CC..Hα-helixtrans-58.2-40.8170.2-80.2-20000111.9I256 E258 L286 H293 Y294I256-N290 HydrophobicContact CD1-CB 4.27Å; I256-N290 WeakPolarHBondContact CD1-O 3.45Å; I256-N290 HydrophobicContact CG2-CB 4.17Å; I256-N290 WeakPolarHBondContact CG2-OD1 3.46Å; E258-N290 PolarHBondContact O-ND2 3.29Å; L286-N290 WeakPolarHBondContact O-CB 3.48Å; L286-N290 PolarHBondContact O-N 3.46Å; L286-N290 PolarHBondContact O-ND2 3.38Å; N290-H293 PolarHBondContact O-N 2.99Å; N290-Y294 PolarHBondContact O-N 3.03Å
291A93.6Very high90.4Very high9 Ų945.9 Ų45.97%0.07425%0.253CS..Hα-helixtrans-66.8-42.6177.300000111.9F240 L287 F288 E289 H293 N295 I301 A305F240-A291 HydrophobicContact CD1-CB 4.48Å; F240-A291 HydrophobicContact CE1-CB 3.62Å; F240-A291 HydrophobicContact CZ-CB 4.36Å; L287-A291 PolarHBondContact O-N 3.42Å; F288-A291 PolarHBondContact O-N 3Å; E289-A291 VanDerWaalsContact C-N 3.28Å; E289-A291 PolarHBondContact O-N 2.76Å; A291-H293 VanDerWaalsContact C-N 3.33Å; A291-N295 WeakPolarHBondContact O-CB 3.38Å; A291-N295 PolarHBondContact O-N 3.1Å; A291-N295 VanDerWaalsContact O-N 3.16Å; A291-N295 PolarHBondContact O-ND2 2.93Å; A291-I301 HydrophobicContact CB-CG2 4.13Å; A291-A305 HydrophobicContact CB-CB 3.9Å
292K93.4Very high90.9Very high35 Ų3547.9 Ų47.915%0.15226%0.258CS..Hα-helixtrans-69.7-27175.2-65175.1-160.1163.20113.8F288 E289 Y302 A305 T306F288-K292 WeakPolarHBondContact O-CG 3.45Å; F288-K292 PolarHBondContact O-N 2.93Å; F288-K292 VanDerWaalsContact O-N 3.09Å; E289-K292 PolarHBondContact O-N 3.09Å; E289-K292 WeakPolarHBondContact OE1-CD 3.4Å; E289-K292 WeakPolarHBondContact OE1-CE 3.35Å; E289-K292 IonicContact OE1-NZ 3.46Å; E289-K292 PolarHBondContact OE1-NZ 3.49Å; K292-Y302 HydrophobicContact CB-CD2 3.89Å; K292-Y302 HydrophobicContact CB-CE2 3.66Å; K292-Y302 HydrophobicContact CG-CD2 3.96Å; K292-Y302 HydrophobicContact CG-CE1 4.47Å; K292-Y302 HydrophobicContact CG-CE2 3.9Å; K292-Y302 HydrophobicContact CG-CG 4.29Å; K292-A305 HydrophobicContact CG-CB 4.16Å; K292-T306 WeakPolarHBondContact CE-OG1 3.23Å
293H90.9Very high91.2Very high115 Ų11551.5 Ų51.553%0.53227%0.269SS..Hα-helixtrans-76.4-36.6179.7-172.185.4000112.4I256 E289 N290 A291I256-H293 HydrophobicContact CD1-CB 3.96Å; E289-H293 VanDerWaalsContact O-CB 3.28Å; E289-H293 WeakPolarHBondContact O-CB 3.4Å; E289-H293 PolarHBondContact O-N 2.72Å; N290-H293 PolarHBondContact O-N 2.99Å; A291-H293 VanDerWaalsContact C-N 3.33Å
294Y92.6Very high91.3Very high59 Ų5950 Ų5023%0.23126%0.261CS..Hα-helixtrans-86.1-34.5-179.2-177.8-103.8000114.2D251 Y252 V255 N290D251-Y294 PolarHBondContact OD1-OH 3.25Å; D251-Y294 VanDerWaalsContact OD2-CE2 3.23Å; D251-Y294 WeakPolarHBondContact OD2-CE2 3.26Å; D251-Y294 VanDerWaalsContact OD2-CZ 3.3Å; D251-Y294 PolarHBondContact OD2-OH 2.81Å; Y252-Y294 VanDerWaalsContact CA-CE2 3.49Å; Y252-Y294 AromaticContact CD2-CD1 3.57Å; Y252-Y294 HydrophobicContact CD2-CD1 3.57Å; Y252-Y294 AromaticContact CD2-CD2 3.62Å; Y252-Y294 HydrophobicContact CD2-CD2 3.62Å; Y252-Y294 AromaticContact CD2-CE1 3.83Å; Y252-Y294 HydrophobicContact CD2-CE1 3.83Å; Y252-Y294 AromaticContact CD2-CE2 3.91Å; Y252-Y294 HydrophobicContact CD2-CE2 3.91Å; Y252-Y294 AromaticContact CD2-CG 3.44Å; Y252-Y294 HydrophobicContact CD2-CG 3.44Å; Y252-Y294 VanDerWaalsContact CD2-CG 3.44Å; Y252-Y294 AromaticContact CD2-CZ 4Å; Y252-Y294 HydrophobicContact CE2-CD1 4.04Å; Y252-Y294 HydrophobicContact CE2-CD2 4.38Å; Y252-Y294 AromaticContact CE2-CG 3.86Å; Y252-Y294 HydrophobicContact CE2-CG 3.86Å; Y252-Y294 HydrophobicContact CG-CD2 4.36Å; Y252-Y294 HydrophobicContact CG-CE2 4.36Å; V255-Y294 HydrophobicContact CB-CD2 4.31Å; V255-Y294 HydrophobicContact CG1-CD2 4.3Å; N290-Y294 PolarHBondContact O-N 3.03Å
295N91.2Very high91.4Very high38 Ų3850 Ų5020%0.20326%0.261CS..SBendtrans-97.7146.9-175.4-58.8-92000111.1A291 S299A291-N295 WeakPolarHBondContact O-CB 3.38Å; A291-N295 PolarHBondContact O-N 3.1Å; A291-N295 VanDerWaalsContact O-N 3.16Å; A291-N295 PolarHBondContact O-ND2 2.93Å; N295-S299 WeakPolarHBondContact CB-OG 3.27Å
296E85.3Confident91.4Very high167 Ų16751.5 Ų51.578%0.7827%0.27SS*.PPolyproline II helixtrans-59.2144.9178.9-64.2179.3163.300112.6G298 S299E296-G298 PolarHBondContact O-N 3.39Å; E296-S299 VanDerWaalsContact O-CB 3.24Å; E296-S299 WeakPolarHBondContact O-CB 3.36Å; E296-S299 PolarHBondContact O-N 3.33Å; E296-S299 PolarHBondContact O-OG 3.46Å
297D83.9Confident91.2Very high113 Ų11352.3 Ų52.360%0.60428%0.277SS*.THydrogen-bonded Turntrans-55.9124174.1-68.1-35.2000109.5Y302D297-Y302 HydrophobicContact CB-CE2 4.39Å; D297-Y302 WeakPolarHBondContact OD1-CE2 3.28Å; D297-Y302 PolarHBondContact OD1-OH 3.05Å
298G81.6Confident90.9Very high45 Ų4552 Ų5246%0.46428%0.276SS..THydrogen-bonded Turntrans89.8-7-177.800000115.7E296 Q303E296-G298 PolarHBondContact O-N 3.39Å; G298-Q303 PolarHBondContact O-NE2 3.37Å
299S92.5Very high90.7Very high35 Ų3552 Ų5225%0.24528%0.275CS..SBendtrans-61.7156.2169.465.90000112.4N295 E296 I301 Y302 Q303N295-S299 WeakPolarHBondContact CB-OG 3.27Å; E296-S299 VanDerWaalsContact O-CB 3.24Å; E296-S299 WeakPolarHBondContact O-CB 3.36Å; E296-S299 PolarHBondContact O-N 3.33Å; E296-S299 PolarHBondContact O-OG 3.46Å; S299-I301 VanDerWaalsContact C-N 3.29Å; S299-I301 PolarHBondContact O-N 2.82Å; S299-Y302 WeakPolarHBondContact O-CB 3.29Å; S299-Y302 PolarHBondContact O-N 3.29Å; S299-Y302 WeakPolarHBondContact OG-CB 3.44Å; S299-Y302 PolarHBondContact OG-N 3.14Å; S299-Q303 WeakPolarHBondContact O-CG 3.44Å; S299-Q303 PolarHBondContact O-N 3.46Å
300V90.8Very high90.4Very high87 Ų8754.4 Ų54.453%0.52729%0.29SS..Hα-helixtrans-56.6-42.5-177.7-179.30000111.9Y302 Q303 D304V300-Y302 VanDerWaalsContact C-N 3.32Å; V300-Y302 PolarHBondContact O-N 3.22Å; V300-Q303 PolarHBondContact O-N 3.39Å; V300-D304 WeakPolarHBondContact O-CB 3.39Å; V300-D304 PolarHBondContact O-N 3.21Å
301I92.2Very high89.7Confident60 Ų6055.4 Ų55.431%0.30830%0.296SS..Hα-helixtrans-66.3-35.4179.3-63.8173.7000111.3A239 F240 A291 S299 D304 A305A239-I301 HydrophobicContact CB-CG1 4.48Å; F240-I301 HydrophobicContact CZ-CG2 4.28Å; A291-I301 HydrophobicContact CB-CG2 4.13Å; S299-I301 VanDerWaalsContact C-N 3.29Å; S299-I301 PolarHBondContact O-N 2.82Å; I301-D304 PolarHBondContact O-N 2.73Å; I301-A305 VanDerWaalsContact O-CB 3.31Å; I301-A305 WeakPolarHBondContact O-CB 3.43Å; I301-A305 PolarHBondContact O-N 3.32Å
302Y93.4Very high89.2Confident59 Ų5955.2 Ų55.223%0.23129%0.293CS..Hα-helixtrans-66.1-43.2175.1-168.6-73.7000111.9K292 D297 S299 V300 A305 T306K292-Y302 HydrophobicContact CB-CD2 3.89Å; K292-Y302 HydrophobicContact CB-CE2 3.66Å; K292-Y302 HydrophobicContact CG-CD2 3.96Å; K292-Y302 HydrophobicContact CG-CE1 4.47Å; K292-Y302 HydrophobicContact CG-CE2 3.9Å; K292-Y302 HydrophobicContact CG-CG 4.29Å; D297-Y302 HydrophobicContact CB-CE2 4.39Å; D297-Y302 WeakPolarHBondContact OD1-CE2 3.28Å; D297-Y302 PolarHBondContact OD1-OH 3.05Å; S299-Y302 WeakPolarHBondContact O-CB 3.29Å; S299-Y302 PolarHBondContact O-N 3.29Å; S299-Y302 WeakPolarHBondContact OG-CB 3.44Å; S299-Y302 PolarHBondContact OG-N 3.14Å; V300-Y302 VanDerWaalsContact C-N 3.32Å; V300-Y302 PolarHBondContact O-N 3.22Å; Y302-A305 PolarHBondContact O-N 3.34Å; Y302-T306 WeakPolarHBondContact O-CB 3.4Å; Y302-T306 PolarHBondContact O-N 2.67Å; Y302-T306 PolarHBondContact O-OG1 3.4Å
303Q91.6Very high88.4Confident110 Ų11056.8 Ų56.851%0.51430%0.298SS..Hα-helixtrans-64.4-42.8175.4-63.9-178.33000111.4G298 S299 V300 T306 T307G298-Q303 PolarHBondContact O-NE2 3.37Å; S299-Q303 WeakPolarHBondContact O-CG 3.44Å; S299-Q303 PolarHBondContact O-N 3.46Å; V300-Q303 PolarHBondContact O-N 3.39Å; Q303-T306 PolarHBondContact O-N 3.38Å; Q303-T307 WeakPolarHBondContact O-CB 3.48Å; Q303-T307 PolarHBondContact O-N 2.83Å; Q303-T307 PolarHBondContact O-OG1 3.4Å
304D92.1Very high87.4Confident8 Ų857.5 Ų57.54%0.04330%0.302CS..Hα-helixtrans-61.2-47.7175.5-68.6-21.3000111.6R234 F240 V300 I301 T306 T307 L308R234-D304 IonicContact CZ-OD1 3.08Å; R234-D304 IonicContact CZ-OD2 3.35Å; R234-D304 IonicContact NH1-OD1 3.59Å; R234-D304 PolarHBondContact NH1-OD1 2.86Å; R234-D304 IonicContact NH1-OD2 2.71Å; R234-D304 PolarHBondContact NH1-OD2 3.36Å; R234-D304 IonicContact NH2-OD1 3.84Å; R234-D304 PolarHBondContact NH2-OD1 3.45Å; R234-D304 IonicContact NH2-OD2 2.67Å; F240-D304 HydrophobicContact CE2-CB 3.79Å; F240-D304 HydrophobicContact CZ-CB 4.03Å; V300-D304 WeakPolarHBondContact O-CB 3.39Å; V300-D304 PolarHBondContact O-N 3.21Å; I301-D304 PolarHBondContact O-N 2.73Å; D304-T306 VanDerWaalsContact C-N 3.31Å; D304-T306 PolarHBondContact O-N 2.81Å; D304-T307 PolarHBondContact O-N 3.11Å; D304-L308 WeakPolarHBondContact O-CB 3.43Å; D304-L308 VanDerWaalsContact O-CG 3.29Å; D304-L308 WeakPolarHBondContact O-CG 3.44Å; D304-L308 PolarHBondContact O-N 2.74Å
305A93.4Very high86.1Confident0 Ų062.2 Ų62.20%032%0.319CS..Hα-helixtrans-61.1-40.4178.800000111.8F240 F288 A291 K292 I301 Y302 S309F240-A305 HydrophobicContact CE1-CB 3.87Å; F240-A305 HydrophobicContact CZ-CB 3.79Å; F288-A305 HydrophobicContact CB-CB 4.39Å; F288-A305 HydrophobicContact CD1-CB 4.45Å; A291-A305 HydrophobicContact CB-CB 3.9Å; K292-A305 HydrophobicContact CG-CB 4.16Å; I301-A305 VanDerWaalsContact O-CB 3.31Å; I301-A305 WeakPolarHBondContact O-CB 3.43Å; I301-A305 PolarHBondContact O-N 3.32Å; Y302-A305 PolarHBondContact O-N 3.34Å; A305-S309 WeakPolarHBondContact O-CB 3.3Å; A305-S309 PolarHBondContact O-N 2.93Å
306T91.6Very high84.7Confident46 Ų4663.7 Ų63.728%0.28233%0.329SS..Hα-helixtrans-65.2-45.7176.3-58.70000111.2K292 Y302 Q303 D304 S309 N310K292-T306 WeakPolarHBondContact CE-OG1 3.23Å; Y302-T306 WeakPolarHBondContact O-CB 3.4Å; Y302-T306 PolarHBondContact O-N 2.67Å; Y302-T306 PolarHBondContact O-OG1 3.4Å; Q303-T306 PolarHBondContact O-N 3.38Å; D304-T306 VanDerWaalsContact C-N 3.31Å; D304-T306 PolarHBondContact O-N 2.81Å; T306-S309 PolarHBondContact O-N 2.87Å; T306-N310 PolarHBondContact O-N 3.17Å; T306-N310 VanDerWaalsContact O-N 3.1Å; T306-N310 PolarHBondContact O-ND2 3.3Å
307T89.4Confident83.2Confident62 Ų6260 Ų6038%0.3832%0.322SS..Hα-helixtrans-64.8-47.6179.8-55.60000111.6L236 Q303 D304 S309 N310 V311L236-T307 HydrophobicContact CD2-CG2 3.56Å; Q303-T307 WeakPolarHBondContact O-CB 3.48Å; Q303-T307 PolarHBondContact O-N 2.83Å; Q303-T307 PolarHBondContact O-OG1 3.4Å; D304-T307 PolarHBondContact O-N 3.11Å; T307-S309 PolarHBondContact O-N 2.93Å; T307-N310 PolarHBondContact O-N 3.07Å; T307-V311 WeakPolarHBondContact O-CB 3.39Å; T307-V311 VanDerWaalsContact O-CG2 3.31Å; T307-V311 WeakPolarHBondContact O-CG2 3.48Å; T307-V311 PolarHBondContact O-N 3.4Å
308L88.5Confident80.9Confident2 Ų259.7 Ų59.71%0.0133%0.328CS..Hα-helixtrans-64.5-38.1178.3-67.5169.5000112.2F225 T228 L236 F240 F288 D304 V311 F312F225-L308 HydrophobicContact CB-CD2 4.45Å; F225-L308 HydrophobicContact CD1-CB 4.45Å; F225-L308 HydrophobicContact CD1-CD2 3.66Å; F225-L308 HydrophobicContact CE1-CB 4.35Å; F225-L308 HydrophobicContact CE1-CD2 4.35Å; F225-L308 HydrophobicContact CG-CD2 4.38Å; T228-L308 HydrophobicContact CG2-CD2 4.13Å; L236-L308 HydrophobicContact CB-CD1 4.09Å; L236-L308 HydrophobicContact CB-CD2 3.94Å; L236-L308 HydrophobicContact CB-CG 4.04Å; L236-L308 HydrophobicContact CD2-CD2 4.43Å; L236-L308 HydrophobicContact CD2-CG 4.32Å; F240-L308 HydrophobicContact CD2-CD1 3.76Å; F240-L308 HydrophobicContact CE2-CD1 3.69Å; F240-L308 HydrophobicContact CG-CD1 4.43Å; F240-L308 HydrophobicContact CZ-CD1 4.27Å; F288-L308 HydrophobicContact CD1-CB 4.12Å; F288-L308 HydrophobicContact CE1-CB 3.38Å; F288-L308 HydrophobicContact CE1-CD1 4.06Å; F288-L308 HydrophobicContact CE1-CG 4.37Å; F288-L308 HydrophobicContact CZ-CB 3.7Å; D304-L308 WeakPolarHBondContact O-CB 3.43Å; D304-L308 VanDerWaalsContact O-CG 3.29Å; D304-L308 WeakPolarHBondContact O-CG 3.44Å; D304-L308 PolarHBondContact O-N 2.74Å; L308-V311 PolarHBondContact O-N 2.83Å; L308-F312 WeakPolarHBondContact O-CB 3.48Å; L308-F312 PolarHBondContact O-N 3.05Å
309S89.8Confident79Confident0 Ų069.3 Ų69.30%035%0.35CS..Hα-helixtrans-62.3-42.2175.1-177.40000112.3A305 T306 T307 F312 R313A305-S309 WeakPolarHBondContact O-CB 3.3Å; A305-S309 PolarHBondContact O-N 2.93Å; T306-S309 PolarHBondContact O-N 2.87Å; T307-S309 PolarHBondContact O-N 2.93Å; S309-F312 WeakPolarHBondContact O-CB 3.49Å; S309-F312 PolarHBondContact O-N 3.2Å; S309-R313 WeakPolarHBondContact O-CG 3.42Å; S309-R313 PolarHBondContact O-N 2.68Å
310N85.5Confident76.1Confident80 Ų8075 Ų7543%0.42837%0.37SS..Hα-helixtrans-65.5-48.5176-68.7-16.9000111.6T306 T307 F312 R313 E314T306-N310 PolarHBondContact O-N 3.17Å; T306-N310 VanDerWaalsContact O-N 3.1Å; T306-N310 PolarHBondContact O-ND2 3.3Å; T307-N310 PolarHBondContact O-N 3.07Å; N310-F312 PolarHBondContact O-N 2.91Å; N310-R313 PolarHBondContact O-N 3.14Å; N310-R313 VanDerWaalsContact O-N 3.1Å; N310-E314 WeakPolarHBondContact O-CG 3.35Å; N310-E314 PolarHBondContact O-N 3.22Å
311V81.3Confident73.3Confident33 Ų3382.6 Ų82.620%0.239%0.39CS..Hα-helixtrans-58.1-35176.9167.20000112.1L224 T307 L308L224-V311 HydrophobicContact CD1-CG1 4Å; L224-V311 HydrophobicContact CD2-CG1 3.46Å; L224-V311 VanDerWaalsContact CD2-CG1 3.46Å; L224-V311 HydrophobicContact CG-CG1 3.67Å; T307-V311 WeakPolarHBondContact O-CB 3.39Å; T307-V311 VanDerWaalsContact O-CG2 3.31Å; T307-V311 WeakPolarHBondContact O-CG2 3.48Å; T307-V311 PolarHBondContact O-N 3.4Å; L308-V311 PolarHBondContact O-N 2.83Å
312F81.5Confident70.5Confident5 Ų585.8 Ų85.82%0.02242%0.417CS..Hα-helixtrans-65.5-53172.4-173.4-121000112F225 A281 F284 F288 L308 S309 N310 E314 R315 V316F225-F312 HydrophobicContact CE1-CB 4.06Å; F225-F312 HydrophobicContact CE2-CD2 4.2Å; F225-F312 HydrophobicContact CZ-CB 3.73Å; F225-F312 AromaticContact CZ-CD2 3.57Å; F225-F312 HydrophobicContact CZ-CD2 3.57Å; F225-F312 AromaticContact CZ-CG 3.92Å; F225-F312 HydrophobicContact CZ-CG 3.92Å; A281-F312 HydrophobicContact CB-CE1 4.01Å; A281-F312 HydrophobicContact CB-CZ 4.2Å; F284-F312 HydrophobicContact CB-CD1 4.11Å; F284-F312 HydrophobicContact CB-CE1 3.66Å; F284-F312 HydrophobicContact CB-CE2 4.35Å; F284-F312 HydrophobicContact CB-CZ 3.8Å; F284-F312 HydrophobicContact CD2-CE1 4.18Å; F284-F312 AromaticContact CD2-CE2 3.61Å; F284-F312 HydrophobicContact CD2-CE2 3.61Å; F284-F312 AromaticContact CD2-CZ 3.4Å; F284-F312 HydrophobicContact CD2-CZ 3.4Å; F284-F312 VanDerWaalsContact CD2-CZ 3.4Å; F284-F312 HydrophobicContact CE2-CE2 4.01Å; F284-F312 HydrophobicContact CE2-CZ 4.19Å; F284-F312 HydrophobicContact CG-CE1 4.19Å; F284-F312 AromaticContact CG-CE2 3.99Å; F284-F312 HydrophobicContact CG-CE2 3.99Å; F284-F312 AromaticContact CG-CZ 3.81Å; F284-F312 HydrophobicContact CG-CZ 3.81Å; F288-F312 HydrophobicContact CE2-CB 4.37Å; L308-F312 WeakPolarHBondContact O-CB 3.48Å; L308-F312 PolarHBondContact O-N 3.05Å; S309-F312 WeakPolarHBondContact O-CB 3.49Å; S309-F312 PolarHBondContact O-N 3.2Å; N310-F312 PolarHBondContact O-N 2.91Å; F312-E314 PolarHBondContact O-N 3.17Å; F312-R315 PolarHBondContact O-N 2.74Å; F312-V316 HydrophobicContact CD2-CG2 4.25Å; F312-V316 HydrophobicContact CE1-CG2 4.23Å; F312-V316 HydrophobicContact CE2-CG2 3.93Å; F312-V316 HydrophobicContact CZ-CG2 3.91Å; F312-V316 WeakPolarHBondContact O-CG2 3.27Å; F312-V316 PolarHBondContact O-N 3.35Å
313R76.9Confident67.6Low68 Ų6887.1 Ų87.126%0.25745%0.449SS..Hα-helixtrans-61.3-44.3-175.8-73172-177.5169.13.3112.1D285 S309 N310 R315 V316 S317D285-R313 IonicContact OD1-CZ 2.67Å; D285-R313 IonicContact OD1-NE 2.76Å; D285-R313 IonicContact OD1-NH2 3.53Å; D285-R313 PolarHBondContact OD1-NH2 3.23Å; S309-R313 WeakPolarHBondContact O-CG 3.42Å; S309-R313 PolarHBondContact O-N 2.68Å; N310-R313 PolarHBondContact O-N 3.14Å; N310-R313 VanDerWaalsContact O-N 3.1Å; R313-R315 VanDerWaalsContact C-N 3.29Å; R313-R315 PolarHBondContact O-N 3.46Å; R313-V316 PolarHBondContact O-N 3.21Å; R313-S317 WeakPolarHBondContact O-CB 3.46Å; R313-S317 PolarHBondContact O-N 3.03Å; R313-S317 PolarHBondContact O-OG 3.35Å; R313-S317 VanDerWaalsContact O-OG 3.05Å
314E69.6Low64.8Low130 Ų13086.7 Ų86.761%0.60746%0.458SS*.Hα-helixtrans-54.7-44.4175.8-73.4179.7177.800112.4N310 F312 S317 C318N310-E314 WeakPolarHBondContact O-CG 3.35Å; N310-E314 PolarHBondContact O-N 3.22Å; F312-E314 PolarHBondContact O-N 3.17Å; E314-S317 PolarHBondContact O-N 3.05Å; E314-C318 VanDerWaalsContact O-CB 3.25Å; E314-C318 WeakPolarHBondContact O-CB 3.24Å; E314-C318 PolarHBondContact O-N 2.94Å; E314-C318 PolarHBondContact O-SG 3.29Å; E314-C318 VanDerWaalsContact O-SG 3.35Å
315R65.3Low62.1Low159 Ų15996.8 Ų96.860%0.650%0.497SS*.Hα-helixtrans-74.6-29.2-179.4-74.4-119.8-173.5147.9-0.4114L224 F312 R313L224-R315 HydrophobicContact CD2-CB 4.21Å; L224-R315 HydrophobicContact CD2-CG 3.57Å; F312-R315 PolarHBondContact O-N 2.74Å; R313-R315 VanDerWaalsContact C-N 3.29Å; R313-R315 PolarHBondContact O-N 3.46Å
316V63.4Low59.1Low68 Ų68101.8 Ų101.841%0.41253%0.532SS..Hα-helixtrans-76.6-29.6173.9176.20000111.4F312 R313F312-V316 HydrophobicContact CD2-CG2 4.25Å; F312-V316 HydrophobicContact CE1-CG2 4.23Å; F312-V316 HydrophobicContact CE2-CG2 3.93Å; F312-V316 HydrophobicContact CZ-CG2 3.91Å; F312-V316 WeakPolarHBondContact O-CG2 3.27Å; F312-V316 PolarHBondContact O-N 3.35Å; R313-V316 PolarHBondContact O-N 3.21Å
317S52.8Low56.2Low91 Ų91104.5 Ų104.564%0.63655%0.552SS**Hα-helixtrans-87.6-31.2-178.3-59.40000115.2R313 E314 R319R313-S317 WeakPolarHBondContact O-CB 3.46Å; R313-S317 PolarHBondContact O-N 3.03Å; R313-S317 PolarHBondContact O-OG 3.35Å; R313-S317 VanDerWaalsContact O-OG 3.05Å; E314-S317 PolarHBondContact O-N 3.05Å; S317-R319 PolarHBondContact O-N 2.77Å
318C35.4Very low53.5Low106 Ų106108.4 Ų108.472%0.71657%0.571SS**THydrogen-bonded Turntrans-82.578.7-169.6-78.60000115.3E314E314-C318 VanDerWaalsContact O-CB 3.25Å; E314-C318 WeakPolarHBondContact O-CB 3.24Å; E314-C318 PolarHBondContact O-N 2.94Å; E314-C318 PolarHBondContact O-SG 3.29Å; E314-C318 VanDerWaalsContact O-SG 3.35Å
319R41.7Very low50.8Low247 Ų247114.1 Ų114.193%0.93261%0.611SS**THydrogen-bonded Turntrans-152.115.5160.3-130174.5179.6-172.7-1.8117.9S317S317-R319 PolarHBondContact O-N 2.77Å
320K33Very low48.4Very low153 Ų153118.9 Ų118.967%0.66565%0.645SS**  trans-121.594178.7-63.9176.4-174169.20111.7
321R30.7Very low45.7Very low248 Ų248119 Ų11994%0.93666%0.657SS**  trans163.8105.5152.5-93157.3-167.6-162.65.7112.6
322S34.3Very low43.8Very low127 Ų127126.9 Ų126.989%0.88869%0.688SS**  trans-178.2134.614737.70000111.9
323G33Very low41.8Very low87 Ų87130.8 Ų130.890%0.89772%0.721SS**  trans98.2115.1164.900000117
324S31.9Very low39.8Very low100 Ų100134 Ų13470%0.69974%0.743SS**  trans-130.2141.7170.960.50000111.3
325Y35.5Very low38.4Very low221 Ų221134 Ų13487%0.86775%0.747SS**  -180149.6128.8-103.2-72.2000111.9
326S31.1Very low37.2Very low105 Ų105135.4 Ų135.473%0.73476%0.757SS**  trans-19.4154.7171.9-61.80000120.6
327S29.6Very low35.9Very low102 Ų102140.8 Ų140.871%0.71377%0.77SS**  cis-159.9170.44.3370000112.7
328D32.8Very low35.1Very low145 Ų145138.6 Ų138.678%0.77576%0.761SS**  trans81.4135.5164.2-66.8-32.2000121.9
329S32.9Very low35.3Very low121 Ų121141.1 Ų141.185%0.84676%0.76SS**SBendtrans89.4-10.7153.4-52.50000123.5
330S37.8Very low35.6Very low101 Ų101133.6 Ų133.671%0.70674%0.735SS**  trans-131.230.3-171.5-74.10000118.3K332S330-K332 VanDerWaalsContact C-N 3.31Å; S330-K332 PolarHBondContact O-N 3.14Å
331A30.6Very low37Very low83 Ų83132 Ų13269%0.68673%0.734SS**THydrogen-bonded Turntrans-66.3-8.3-167.600000118.4
332K40.4Very low38.8Very low198 Ų198124.7 Ų124.786%0.86171%0.711SS**THydrogen-bonded Turntrans-83-22.5-173.7-74.1-175.6177.9178.20115.4S330S330-K332 VanDerWaalsContact C-N 3.31Å; S330-K332 PolarHBondContact O-N 3.14Å
333A38.7Very low40.8Very low86 Ų86121.5 Ų121.571%0.71168%0.679SS**THydrogen-bonded Turntrans-83.1-29.5-175.900000114.2
334L35.6Very low42.9Very low136 Ų136119.5 Ų119.571%0.71265%0.648SS**THydrogen-bonded Turntrans-76.8-24.1-175.7-79160.2000113.8K336 R337L334-K336 VanDerWaalsContact C-N 3.27Å; L334-K336 PolarHBondContact O-N 2.68Å; L334-R337 PolarHBondContact O-N 3.39Å
335L39.6Very low45.3Very low131 Ų131117.3 Ų117.369%0.68663%0.632SS**Hα-helixtrans-62-28.3-178.4-76.8162000113.9R337L335-R337 VanDerWaalsContact C-N 3.27Å; L335-R337 PolarHBondContact O-N 3.47Å
336K40.7Very low47.9Very low187 Ų187108 Ų10881%0.81360%0.596SS**Hα-helixtrans-68.7-21178.1-79.8-172.3174.6-1780113.7L334L334-K336 VanDerWaalsContact C-N 3.27Å; L334-K336 PolarHBondContact O-N 2.68Å
337R36Very low50.8Low182 Ų182103.1 Ų103.169%0.68756%0.562SS**Hα-helixtrans-82.1-22.1-178.4-116.2176.2-178169.50.6114.1L334 L335L334-R337 PolarHBondContact O-N 3.39Å; L335-R337 VanDerWaalsContact C-N 3.27Å; L335-R337 PolarHBondContact O-N 3.47Å
338G35.4Very low53.9Low44 Ų44101.5 Ų101.545%0.45454%0.541SS..Hα-helixtrans-75-40.1176.800000113.5H340 D341 E342G338-H340 VanDerWaalsContact C-N 3.27Å; G338-H340 PolarHBondContact O-N 2.81Å; G338-D341 PolarHBondContact O-N 3.23Å; G338-E342 PolarHBondContact O-N 3.12Å; G338-E342 VanDerWaalsContact O-N 3.1Å
339K40.1Very low56.7Low160 Ų16098.5 Ų98.570%0.69652%0.522SS*.Hα-helixtrans-60.6-30.1-176.9-74.1-163.6169.6-162.10114.6R343K339-R343 WeakPolarHBondContact O-CB 3.45Å; K339-R343 PolarHBondContact O-N 2.99Å; K339-R343 VanDerWaalsContact O-N 3.08Å
340H48.6Very low59.7Low89 Ų8992.7 Ų92.741%0.41248%0.481SS..Hα-helixtrans-73.2-41.9179.8-153.2-63.4000111.6G338 R343 D344G338-H340 VanDerWaalsContact C-N 3.27Å; G338-H340 PolarHBondContact O-N 2.81Å; H340-R343 PolarHBondContact CE1-NH2 3.34Å; H340-R343 PolarHBondContact O-N 3.08Å; H340-D344 IonicContact CE1-OD1 2.8Å; H340-D344 IonicContact CE1-OD2 3.17Å; H340-D344 PolarHBondContact CE1-OD2 3.45Å; H340-D344 IonicContact ND1-OD1 3.16Å; H340-D344 IonicContact ND1-OD2 3.17Å; H340-D344 PolarHBondContact ND1-OD2 3.37Å; H340-D344 PolarHBondContact O-N 3.06Å
341D62.4Low62.4Low119 Ų11988.4 Ų88.464%0.63645%0.45SS*.Hα-helixtrans-64.5-41.3176.7-15510.6000110.8G338 S345G338-D341 PolarHBondContact O-N 3.23Å; D341-S345 WeakPolarHBondContact O-CB 3.25Å; D341-S345 PolarHBondContact O-N 3.08Å
342E67.5Low65.5Low95 Ų9587.4 Ų87.444%0.44443%0.433SS..Hα-helixtrans-64.2-42175.4-164.8-163.5140.900112.9G338 S345 K346G338-E342 PolarHBondContact O-N 3.12Å; G338-E342 VanDerWaalsContact O-N 3.1Å; E342-S345 WeakPolarHBondContact O-CB 3.37Å; E342-S345 PolarHBondContact O-N 3.09Å; E342-K346 WeakPolarHBondContact O-CG 3.39Å; E342-K346 PolarHBondContact O-N 2.92Å; E342-K346 WeakPolarHBondContact OE1-CE 3.25Å; E342-K346 IonicContact OE1-NZ 2.66Å; E342-K346 PolarHBondContact OE1-NZ 2.93Å
343R76.1Confident68Low59 Ų5981.1 Ų81.122%0.22341%0.406CS..Hα-helixtrans-65.2-47.9177-175.5-162.766.7133.58.9111.4K339 H340 S345 K346 L347 N401 Y403 E404K339-R343 WeakPolarHBondContact O-CB 3.45Å; K339-R343 PolarHBondContact O-N 2.99Å; K339-R343 VanDerWaalsContact O-N 3.08Å; H340-R343 PolarHBondContact CE1-NH2 3.34Å; H340-R343 PolarHBondContact O-N 3.08Å; R343-S345 VanDerWaalsContact C-N 3.27Å; R343-S345 PolarHBondContact O-N 3.33Å; R343-K346 PolarHBondContact O-N 3.16Å; R343-K346 VanDerWaalsContact O-N 3.11Å; R343-L347 WeakPolarHBondContact O-CG 3.31Å; R343-L347 PolarHBondContact O-N 3.46Å; R343-N401 PolarHBondContact NH1-OD1 2.82Å; R343-N401 PolarHBondContact NH2-OD1 3.27Å; R343-Y403 PolarHBondContact NH1-O 3.32Å; R343-E404 WeakPolarHBondContact CD-O 3.43Å; R343-E404 PolarHBondContact NH1-O 2.79Å
344D78.3Confident70.8Confident45 Ų4577 Ų7724%0.24137%0.373CS..Hα-helixtrans-63.6-38.5-179.9-59.9-18.5000110.1H340 L347 W348H340-D344 IonicContact CE1-OD1 2.8Å; H340-D344 IonicContact CE1-OD2 3.17Å; H340-D344 PolarHBondContact CE1-OD2 3.45Å; H340-D344 IonicContact ND1-OD1 3.16Å; H340-D344 IonicContact ND1-OD2 3.17Å; H340-D344 PolarHBondContact ND1-OD2 3.37Å; H340-D344 PolarHBondContact O-N 3.06Å; D344-L347 PolarHBondContact O-N 3.44Å; D344-W348 VanDerWaalsContact O-CD1 3.23Å; D344-W348 PolarHBondContact O-N 3.01Å; D344-W348 VanDerWaalsContact O-N 3.1Å
345S83Confident73.6Confident54 Ų5474.3 Ų74.338%0.37836%0.355SS..Hα-helixtrans-59-45.4170.21800000113D341 E342 R343 L347 W348 Q349D341-S345 WeakPolarHBondContact O-CB 3.25Å; D341-S345 PolarHBondContact O-N 3.08Å; E342-S345 WeakPolarHBondContact O-CB 3.37Å; E342-S345 PolarHBondContact O-N 3.09Å; R343-S345 VanDerWaalsContact C-N 3.27Å; R343-S345 PolarHBondContact O-N 3.33Å; S345-L347 PolarHBondContact O-N 2.85Å; S345-W348 PolarHBondContact O-N 3.44Å; S345-Q349 WeakPolarHBondContact O-CB 3.47Å; S345-Q349 VanDerWaalsContact O-CG 3.23Å; S345-Q349 WeakPolarHBondContact O-CG 3.23Å; S345-Q349 PolarHBondContact O-N 3.43Å; S345-Q349 PolarHBondContact OG-NE2 2.99Å
346K89.4Confident76.2Confident25 Ų2572.8 Ų72.811%0.10935%0.347CS..Hα-helixtrans-62.5-39.2177.1-77.4169.8172.9169.40112.4E342 R343 L350 L448E342-K346 WeakPolarHBondContact O-CG 3.39Å; E342-K346 PolarHBondContact O-N 2.92Å; E342-K346 WeakPolarHBondContact OE1-CE 3.25Å; E342-K346 IonicContact OE1-NZ 2.66Å; E342-K346 PolarHBondContact OE1-NZ 2.93Å; R343-K346 PolarHBondContact O-N 3.16Å; R343-K346 VanDerWaalsContact O-N 3.11Å; K346-L350 PolarHBondContact O-N 2.79Å; K346-L350 VanDerWaalsContact O-N 3.14Å; K346-L448 WeakPolarHBondContact CE-O 3.41Å; K346-L448 HydrophobicContact CG-CD2 4.39Å; K346-L448 WeakPolarHBondContact O-CD1 3.32Å
347L92.6Very high78.7Confident3 Ų366.7 Ų66.72%0.01632%0.321CS..Hα-helixtrans-62.3-50.6175.3-64.9174.7000111.6R343 D344 S345 Q349 L350 Y351 I398 L406 L409R343-L347 WeakPolarHBondContact O-CG 3.31Å; R343-L347 PolarHBondContact O-N 3.46Å; D344-L347 PolarHBondContact O-N 3.44Å; S345-L347 PolarHBondContact O-N 2.85Å; L347-Q349 PolarHBondContact O-N 2.78Å; L347-L350 PolarHBondContact O-N 3.43Å; L347-Y351 PolarHBondContact O-N 3.12Å; L347-Y351 VanDerWaalsContact O-N 3.1Å; L347-I398 HydrophobicContact CB-CG2 4.06Å; L347-L406 HydrophobicContact CD2-CD1 4.06Å; L347-L409 HydrophobicContact CB-CD2 4.09Å; L347-L409 HydrophobicContact CD2-CB 3.88Å; L347-L409 HydrophobicContact CD2-CD2 3.74Å; L347-L409 HydrophobicContact CD2-CG 4.46Å; L347-L409 WeakPolarHBondContact O-CD2 3.27Å
348W93.8Very high81.3Confident69 Ų6960 Ų6026%0.26130%0.304SS..Hα-helixtrans-63.9-37.9178.3-79.3114.2000113.2D344 S345 L350 Y351 N352 Y395 I398 S399D344-W348 VanDerWaalsContact O-CD1 3.23Å; D344-W348 PolarHBondContact O-N 3.01Å; D344-W348 VanDerWaalsContact O-N 3.1Å; S345-W348 PolarHBondContact O-N 3.44Å; W348-L350 VanDerWaalsContact C-N 3.35Å; W348-L350 PolarHBondContact O-N 3.49Å; W348-Y351 HydrophobicContact CE3-CD1 4.11Å; W348-Y351 AromaticContact CZ3-CD1 3.97Å; W348-Y351 HydrophobicContact CZ3-CD1 3.97Å; W348-Y351 HydrophobicContact CZ3-CE1 4.28Å; W348-Y351 PolarHBondContact O-N 3.35Å; W348-N352 WeakPolarHBondContact O-CB 3.18Å; W348-N352 PolarHBondContact O-N 3.3Å; W348-N352 PolarHBondContact O-ND2 3.38Å; W348-Y395 HydrophobicContact CH2-CD1 4.44Å; W348-Y395 AromaticContact CH2-CD2 3.52Å; W348-Y395 HydrophobicContact CH2-CD2 3.52Å; W348-Y395 HydrophobicContact CH2-CE1 4.28Å; W348-Y395 AromaticContact CH2-CE2 3.35Å; W348-Y395 HydrophobicContact CH2-CE2 3.35Å; W348-Y395 HydrophobicContact CH2-CG 4.07Å; W348-Y395 AromaticContact CH2-CZ 3.74Å; W348-Y395 AromaticContact CZ3-CD2 3.48Å; W348-Y395 HydrophobicContact CZ3-CD2 3.48Å; W348-Y395 VanDerWaalsContact CZ3-CD2 3.48Å; W348-Y395 AromaticContact CZ3-CE2 3.44Å; W348-Y395 HydrophobicContact CZ3-CE2 3.44Å; W348-Y395 VanDerWaalsContact CZ3-CE2 3.44Å; W348-Y395 HydrophobicContact CZ3-CG 4.36Å; W348-I398 HydrophobicContact CD2-CG2 3.82Å; W348-I398 VanDerWaalsContact CE2-CG2 3.43Å; W348-I398 HydrophobicContact CE3-CG2 4.4Å; W348-I398 HydrophobicContact CG-CG2 4.19Å; W348-I398 HydrophobicContact CH2-CB 4.31Å; W348-I398 HydrophobicContact CH2-CG2 4.27Å; W348-I398 HydrophobicContact CZ2-CB 4.1Å; W348-I398 HydrophobicContact CZ2-CG2 3.7Å; W348-S399 WeakPolarHBondContact CZ2-OG 3.38Å
349Q92.2Very high83.6Confident81 Ų8159.8 Ų59.838%0.37929%0.293SS..Hα-helixtrans-63.3-37.6175.6-77.8179.465.200112.9S345 L347 H353 L448S345-Q349 WeakPolarHBondContact O-CB 3.47Å; S345-Q349 VanDerWaalsContact O-CG 3.23Å; S345-Q349 WeakPolarHBondContact O-CG 3.23Å; S345-Q349 PolarHBondContact O-N 3.43Å; S345-Q349 PolarHBondContact OG-NE2 2.99Å; L347-Q349 PolarHBondContact O-N 2.78Å; Q349-H353 VanDerWaalsContact O-CB 3.28Å; Q349-H353 WeakPolarHBondContact O-CB 3.5Å; Q349-H353 PolarHBondContact O-N 2.95Å; Q349-L448 HydrophobicContact CB-CD1 4.19Å; Q349-L448 HydrophobicContact CB-CD2 3.87Å
350L94.2Very high85.5Confident0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-69-47.8176-173.359.2000110.9K346 L347 W348 H353 I354 L406 L409 V410 L441 K444 L448K346-L350 PolarHBondContact O-N 2.79Å; K346-L350 VanDerWaalsContact O-N 3.14Å; L347-L350 PolarHBondContact O-N 3.43Å; W348-L350 VanDerWaalsContact C-N 3.35Å; W348-L350 PolarHBondContact O-N 3.49Å; L350-H353 PolarHBondContact O-N 3.44Å; L350-I354 WeakPolarHBondContact O-CG1 3.43Å; L350-I354 PolarHBondContact O-N 3.26Å; L350-L406 HydrophobicContact CB-CD1 4.09Å; L350-L406 HydrophobicContact CD2-CD1 3.65Å; L350-L406 HydrophobicContact CD2-CG 4.05Å; L350-L409 HydrophobicContact CB-CD2 4.25Å; L350-L409 HydrophobicContact CD2-CD2 4.19Å; L350-L409 HydrophobicContact CD2-CG 4.47Å; L350-V410 HydrophobicContact CD2-CG2 3.6Å; L350-L441 HydrophobicContact CD1-CD1 4.05Å; L350-L441 HydrophobicContact CD2-CD1 3.92Å; L350-L441 HydrophobicContact CG-CD1 4.05Å; L350-K444 HydrophobicContact CD1-CB 3.68Å; L350-K444 HydrophobicContact CD1-CG 3.66Å; L350-L448 HydrophobicContact CB-CD1 3.65Å; L350-L448 HydrophobicContact CD1-CD1 4.18Å; L350-L448 HydrophobicContact CG-CD1 4.45Å
351Y96.4Very high87.1Confident10 Ų1063.3 Ų63.34%0.03932%0.324CS..Hα-helixtrans-59.6-52.2-179.8177-92.3000112.3L347 W348 H353 I354 K355 M391 I394 Y395 I398L347-Y351 PolarHBondContact O-N 3.12Å; L347-Y351 VanDerWaalsContact O-N 3.1Å; W348-Y351 HydrophobicContact CE3-CD1 4.11Å; W348-Y351 AromaticContact CZ3-CD1 3.97Å; W348-Y351 HydrophobicContact CZ3-CD1 3.97Å; W348-Y351 HydrophobicContact CZ3-CE1 4.28Å; W348-Y351 PolarHBondContact O-N 3.35Å; Y351-H353 VanDerWaalsContact C-N 3.3Å; Y351-H353 PolarHBondContact O-N 2.93Å; Y351-I354 PolarHBondContact O-N 3.16Å; Y351-I354 VanDerWaalsContact O-N 3.15Å; Y351-K355 HydrophobicContact CE1-CB 4.38Å; Y351-K355 HydrophobicContact CE1-CD 3.9Å; Y351-K355 WeakPolarHBondContact O-CB 3.2Å; Y351-K355 PolarHBondContact O-N 3.24Å; Y351-M391 HydrophobicContact CD2-SD 3.85Å; Y351-M391 HydrophobicContact CE2-CB 4.2Å; Y351-M391 HydrophobicContact CE2-CG 4.46Å; Y351-M391 WeakPolarHBondContact CE2-O 3.33Å; Y351-M391 HydrophobicContact CE2-SD 3.37Å; Y351-M391 WeakPolarHBondContact CE2-SD 3.44Å; Y351-M391 PolarHBondContact OH-O 3.05Å; Y351-I394 HydrophobicContact CD2-CG2 3.84Å; Y351-I394 HydrophobicContact CE2-CB 4.35Å; Y351-I394 HydrophobicContact CE2-CG2 4.06Å; Y351-Y395 AromaticContact CE1-CD2 3.8Å; Y351-Y395 HydrophobicContact CE1-CD2 3.8Å; Y351-I398 HydrophobicContact CD2-CD1 3.8Å; Y351-I398 HydrophobicContact CG-CD1 3.7Å
352N94.5Very high88.1Confident62 Ų6260.3 Ų60.333%0.33232%0.321SS..Hα-helixtrans-63.4-35.9-179.6-68.6-23.5000111.9W348 I354 K355 D356W348-N352 WeakPolarHBondContact O-CB 3.18Å; W348-N352 PolarHBondContact O-N 3.3Å; W348-N352 PolarHBondContact O-ND2 3.38Å; N352-I354 VanDerWaalsContact C-N 3.27Å; N352-I354 PolarHBondContact O-N 2.89Å; N352-K355 PolarHBondContact O-N 2.94Å; N352-D356 WeakPolarHBondContact O-CB 3.31Å; N352-D356 PolarHBondContact O-N 3.1Å
353H93.9Very high89.3Confident67 Ų6760.3 Ų60.331%0.3132%0.316SS..Hα-helixtrans-62.8-32.7176.7-175.269.2000113.4Q349 L350 Y351 K444Q349-H353 VanDerWaalsContact O-CB 3.28Å; Q349-H353 WeakPolarHBondContact O-CB 3.5Å; Q349-H353 PolarHBondContact O-N 2.95Å; L350-H353 PolarHBondContact O-N 3.44Å; Y351-H353 VanDerWaalsContact C-N 3.3Å; Y351-H353 PolarHBondContact O-N 2.93Å; H353-K444 HydrophobicContact CB-CD 4.22Å; H353-K444 HydrophobicContact CB-CG 3.92Å; H353-K444 VanDerWaalsContact CD2-CB 3.43Å; H353-K444 WeakPolarHBondContact CD2-CB 3.49Å
354I96.1Very high90.1Very high0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-80.7-42.4175.4-61.2-56.5000111.2L350 Y351 N352 M391 F417 L437 L440 L441L350-I354 WeakPolarHBondContact O-CG1 3.43Å; L350-I354 PolarHBondContact O-N 3.26Å; Y351-I354 PolarHBondContact O-N 3.16Å; Y351-I354 VanDerWaalsContact O-N 3.15Å; N352-I354 VanDerWaalsContact C-N 3.27Å; N352-I354 PolarHBondContact O-N 2.89Å; I354-M391 HydrophobicContact CG2-CE 3.71Å; I354-F417 HydrophobicContact CG2-CZ 3.84Å; I354-L437 HydrophobicContact CG2-CD2 4.3Å; I354-L440 HydrophobicContact CD1-CB 3.86Å; I354-L441 HydrophobicContact CD1-CB 4.02Å; I354-L441 HydrophobicContact CG1-CD1 4.29Å
355K95.6Very high90.8Very high79 Ų7958.2 Ų58.234%0.34331%0.312SS..Hα-helixtrans-61.1-46.8178.5-176.8-166.2162.9-150.50112Y351 N352 F357 V364 S366Y351-K355 HydrophobicContact CE1-CB 4.38Å; Y351-K355 HydrophobicContact CE1-CD 3.9Å; Y351-K355 WeakPolarHBondContact O-CB 3.2Å; Y351-K355 PolarHBondContact O-N 3.24Å; N352-K355 PolarHBondContact O-N 2.94Å; K355-F357 PolarHBondContact O-N 2.76Å; K355-V364 VanDerWaalsContact O-CG1 3.24Å; K355-V364 WeakPolarHBondContact O-CG1 3.23Å; K355-S366 VanDerWaalsContact O-CB 3.3Å; K355-S366 WeakPolarHBondContact O-CB 3.34Å; K355-S366 PolarHBondContact O-OG 3.37Å
356D93Very high91.4Very high98 Ų9855.8 Ų55.852%0.52430%0.295SS..THydrogen-bonded Turntrans-93.37.1-169-53.3-31.3000112.7N352 A358N352-D356 WeakPolarHBondContact O-CB 3.31Å; N352-D356 PolarHBondContact O-N 3.1Å; D356-A358 PolarHBondContact O-N 2.63Å
357F92.7Very high91.6Very high60 Ų6058.7 Ų58.726%0.26332%0.315SS..  trans-71.4119.9-180-174.6-91.1000112.4K355 V364 L365 L437 L440K355-F357 PolarHBondContact O-N 2.76Å; F357-V364 WeakPolarHBondContact O-CA 3.47Å; F357-L365 HydrophobicContact CD1-CB 4.48Å; F357-L365 HydrophobicContact CD1-CD1 4.49Å; F357-L365 HydrophobicContact CD1-CD2 4.16Å; F357-L365 HydrophobicContact CE1-CD2 4.13Å; F357-L365 PolarHBondContact O-N 2.71Å; F357-L437 HydrophobicContact CB-CD2 4.1Å; F357-L437 HydrophobicContact CD1-CD2 4.21Å; F357-L437 HydrophobicContact CG-CD2 4.44Å; F357-L440 HydrophobicContact CB-CD1 4.26Å; F357-L440 HydrophobicContact CD1-CD1 3.5Å; F357-L440 HydrophobicContact CD2-CD1 3.48Å; F357-L440 VanDerWaalsContact CD2-CD1 3.48Å; F357-L440 HydrophobicContact CD2-CD2 3.99Å; F357-L440 HydrophobicContact CD2-CG 4.38Å; F357-L440 HydrophobicContact CE1-CD1 3.63Å; F357-L440 HydrophobicContact CE2-CD1 3.59Å; F357-L440 HydrophobicContact CE2-CD2 3.77Å; F357-L440 HydrophobicContact CE2-CG 4.34Å; F357-L440 HydrophobicContact CG-CD1 3.44Å; F357-L440 VanDerWaalsContact CG-CD1 3.44Å; F357-L440 HydrophobicContact CZ-CD1 3.67Å; F357-L440 HydrophobicContact CZ-CD2 4.37Å
358A90.5Very high91.6Very high40 Ų4063.2 Ų63.233%0.33134%0.338SS..BIsolated β-bridgetrans-110.9146174.100000112.3D356 R363 V364D356-A358 PolarHBondContact O-N 2.63Å; A358-R363 CarbonylContact C-O 3.59Å; A358-R363 VanDerWaalsContact CA-O 3.25Å; A358-R363 WeakPolarHBondContact CA-O 3.44Å; A358-V364 HydrophobicContact CB-CG2 4.26Å
359D84.7Confident91.7Very high41 Ų4160.6 Ų60.622%0.21933%0.328CS..  trans-74179.21706333.5000112.6K361 G362 R363 L365D359-K361 PolarHBondContact O-N 3.31Å; D359-K361 WeakPolarHBondContact OD1-CA 3.32Å; D359-K361 WeakPolarHBondContact OD1-CB 3.37Å; D359-K361 PolarHBondContact OD1-N 2.96Å; D359-G362 PolarHBondContact O-N 3.03Å; D359-G362 PolarHBondContact OD1-N 2.84Å; D359-R363 PolarHBondContact N-O 2.85Å; D359-R363 PolarHBondContact OD1-N 3.31Å; D359-R363 IonicContact OD2-CZ 2.66Å; D359-R363 IonicContact OD2-NE 3.19Å; D359-R363 PolarHBondContact OD2-NE 3.27Å; D359-R363 IonicContact OD2-NH2 3.06Å; D359-R363 PolarHBondContact OD2-NH2 3.15Å; D359-L365 HydrophobicContact CB-CD1 3.74Å
360S79.7Confident91.8Very high132 Ų13260.2 Ų60.292%0.92333%0.328SS*.THydrogen-bonded Turntrans-63.2-8179.356.30000114.8
361K82.6Confident91.7Very high191 Ų19166.4 Ų66.483%0.8336%0.355SS*.THydrogen-bonded Turntrans-100.12.8173.2-57.2179.4179.4178.40112.3D359 R363D359-K361 PolarHBondContact O-N 3.31Å; D359-K361 WeakPolarHBondContact OD1-CA 3.32Å; D359-K361 WeakPolarHBondContact OD1-CB 3.37Å; D359-K361 PolarHBondContact OD1-N 2.96Å; K361-R363 VanDerWaalsContact C-N 3.28Å; K361-R363 PolarHBondContact O-N 3.22Å
362G83.2Confident91.5Very high55 Ų5567.9 Ų67.957%0.56736%0.363SS*.SBendtrans78.56.6-17700000114.3D359 V364D359-G362 PolarHBondContact O-N 3.03Å; D359-G362 PolarHBondContact OD1-N 2.84Å; G362-V364 PolarHBondContact O-N 2.83Å
363R93.1Very high91.2Very high95 Ų9567.2 Ų67.236%0.35836%0.362SS..  trans-77.9122.1177.7-179.9-171.666.6104.96.1109.1A358 D359 K361 L365 D433A358-R363 CarbonylContact C-O 3.59Å; A358-R363 VanDerWaalsContact CA-O 3.25Å; A358-R363 WeakPolarHBondContact CA-O 3.44Å; D359-R363 PolarHBondContact N-O 2.85Å; D359-R363 PolarHBondContact OD1-N 3.31Å; D359-R363 IonicContact OD2-CZ 2.66Å; D359-R363 IonicContact OD2-NE 3.19Å; D359-R363 PolarHBondContact OD2-NE 3.27Å; D359-R363 IonicContact OD2-NH2 3.06Å; D359-R363 PolarHBondContact OD2-NH2 3.15Å; K361-R363 VanDerWaalsContact C-N 3.28Å; K361-R363 PolarHBondContact O-N 3.22Å; R363-L365 VanDerWaalsContact O-CD1 3.28Å; R363-L365 WeakPolarHBondContact O-CD1 3.3Å; R363-L365 PolarHBondContact O-N 2.92Å; R363-D433 IonicContact CZ-OD1 3.63Å; R363-D433 IonicContact CZ-OD2 3.6Å; R363-D433 IonicContact NH1-OD1 2.68Å; R363-D433 PolarHBondContact NH1-OD1 3.18Å; R363-D433 IonicContact NH1-OD2 2.57Å; R363-D433 PolarHBondContact NH1-OD2 3.42Å; R363-D433 IonicContact NH2-OD1 3.62Å; R363-D433 PolarHBondContact NH2-OD1 3.01Å; R363-D433 IonicContact NH2-OD2 2.67Å
364V92.7Very high90.9Very high54 Ų5466.4 Ų66.433%0.32736%0.364SS..BIsolated β-bridgetrans-74.4117.1176.9177.30000109.6K355 F357 A358 G362 S366 T367K355-V364 VanDerWaalsContact O-CG1 3.24Å; K355-V364 WeakPolarHBondContact O-CG1 3.23Å; F357-V364 WeakPolarHBondContact O-CA 3.47Å; A358-V364 HydrophobicContact CB-CG2 4.26Å; G362-V364 PolarHBondContact O-N 2.83Å; V364-S366 VanDerWaalsContact C-N 3.32Å; V364-S366 VanDerWaalsContact CG1-OG 3.29Å; V364-S366 WeakPolarHBondContact CG1-OG 3.39Å; V364-S366 PolarHBondContact O-N 2.86Å; V364-T367 PolarHBondContact O-N 2.85Å; V364-T367 PolarHBondContact O-OG1 3.05Å
365L92.3Very high90.6Very high7 Ų774.2 Ų74.24%0.03739%0.394CS..G310 helixtrans-71-28.2-174.4-91.362.6000112.6F357 D359 R363 T367 F369 D433 M436 L437F357-L365 HydrophobicContact CD1-CB 4.48Å; F357-L365 HydrophobicContact CD1-CD1 4.49Å; F357-L365 HydrophobicContact CD1-CD2 4.16Å; F357-L365 HydrophobicContact CE1-CD2 4.13Å; F357-L365 PolarHBondContact O-N 2.71Å; D359-L365 HydrophobicContact CB-CD1 3.74Å; R363-L365 VanDerWaalsContact O-CD1 3.28Å; R363-L365 WeakPolarHBondContact O-CD1 3.3Å; R363-L365 PolarHBondContact O-N 2.92Å; L365-T367 PolarHBondContact O-N 3.1Å; L365-F369 WeakPolarHBondContact O-CE2 3.36Å; L365-D433 HydrophobicContact CB-CB 4.45Å; L365-D433 HydrophobicContact CD2-CB 4.27Å; L365-D433 HydrophobicContact CG-CB 4.14Å; L365-M436 HydrophobicContact CD2-CB 3.95Å; L365-M436 HydrophobicContact CD2-CG 3.87Å; L365-L437 HydrophobicContact CB-CD1 3.97Å; L365-L437 HydrophobicContact CB-CD2 3.94Å; L365-L437 HydrophobicContact CB-CG 4.02Å; L365-L437 HydrophobicContact CD2-CG 4.44Å
366S95.6Very high90.1Very high3 Ų379 Ų792%0.02142%0.419CS..G310 helixtrans-68.2-15.4-178.674.40000114K355 V364 I368 F369 I370K355-S366 VanDerWaalsContact O-CB 3.3Å; K355-S366 WeakPolarHBondContact O-CB 3.34Å; K355-S366 PolarHBondContact O-OG 3.37Å; V364-S366 VanDerWaalsContact C-N 3.32Å; V364-S366 VanDerWaalsContact CG1-OG 3.29Å; V364-S366 WeakPolarHBondContact CG1-OG 3.39Å; V364-S366 PolarHBondContact O-N 2.86Å; S366-I368 VanDerWaalsContact C-N 3.3Å; S366-I368 PolarHBondContact O-N 3.3Å; S366-I368 VanDerWaalsContact O-N 3.14Å; S366-F369 WeakPolarHBondContact O-CA 3.27Å; S366-F369 WeakPolarHBondContact O-CB 3.36Å; S366-F369 PolarHBondContact O-N 2.91Å; S366-I370 PolarHBondContact O-N 3.2Å
367T94.1Very high89.6Confident86 Ų8681 Ų8153%0.52843%0.426SS..G310 helixtrans-51.5-43.8-167.6-53.50000113.4V364 L365 F369 I370V364-T367 PolarHBondContact O-N 2.85Å; V364-T367 PolarHBondContact O-OG1 3.05Å; L365-T367 PolarHBondContact O-N 3.1Å; T367-F369 PolarHBondContact O-N 3.24Å; T367-I370 WeakPolarHBondContact O-CG1 3.2Å; T367-I370 PolarHBondContact O-N 3.2Å
368I92.9Very high89.3Confident98 Ų9883.7 Ų83.750%0.50344%0.435SS..G310 helixtrans-75.2-12.5-178.7-160.763000113.5S366 I430S366-I368 VanDerWaalsContact C-N 3.3Å; S366-I368 PolarHBondContact O-N 3.3Å; S366-I368 VanDerWaalsContact O-N 3.14Å; I368-I430 HydrophobicContact CG1-CD1 3.98Å; I368-I430 HydrophobicContact CG1-CG1 4.23Å; I368-I430 HydrophobicContact CG2-CG1 4.42Å; I368-I430 HydrophobicContact CG2-CG2 4.25Å
369F96Very high89.2Confident13 Ų1384.9 Ų84.96%0.05744%0.439CS..G310 helixtrans-100.71.2-179.1-53.6-88.5000113.2L365 S366 T367 M391 M416 F417 A420 I430 D433 A434 L437L365-F369 WeakPolarHBondContact O-CE2 3.36Å; S366-F369 WeakPolarHBondContact O-CA 3.27Å; S366-F369 WeakPolarHBondContact O-CB 3.36Å; S366-F369 PolarHBondContact O-N 2.91Å; T367-F369 PolarHBondContact O-N 3.24Å; F369-M391 HydrophobicContact CB-CG 4.47Å; F369-M391 PolarHBondContact O-N 3.45Å; F369-M416 HydrophobicContact CB-CE 3.54Å; F369-M416 HydrophobicContact CB-SD 3.83Å; F369-M416 HydrophobicContact CD1-CE 3.75Å; F369-M416 HydrophobicContact CD1-CG 4.38Å; F369-M416 HydrophobicContact CD1-SD 4.42Å; F369-M416 HydrophobicContact CG-CE 3.79Å; F369-F417 HydrophobicContact CD1-CD1 4.27Å; F369-F417 HydrophobicContact CD1-CE1 4.32Å; F369-F417 AromaticContact CE1-CD1 3.93Å; F369-F417 HydrophobicContact CE1-CD1 3.93Å; F369-F417 HydrophobicContact CE1-CE1 4.27Å; F369-F417 HydrophobicContact CZ-CD1 4.27Å; F369-F417 HydrophobicContact CZ-CE1 4.41Å; F369-A420 HydrophobicContact CE1-CB 3.66Å; F369-I430 HydrophobicContact CZ-CG2 4.29Å; F369-D433 HydrophobicContact CE2-CB 4.3Å; F369-A434 HydrophobicContact CE1-CB 4.14Å; F369-A434 HydrophobicContact CZ-CB 3.85Å; F369-L437 HydrophobicContact CD2-CD1 3.99Å; F369-L437 HydrophobicContact CE2-CD1 3.78Å
370I93.6Very high89.5Confident74 Ų7486 Ų8638%0.37945%0.445SS..SBendtrans-65.3-44.5-176.9-66.9177000111.6S366 T367 Q392S366-I370 PolarHBondContact O-N 3.2Å; T367-I370 WeakPolarHBondContact O-CG1 3.2Å; T367-I370 PolarHBondContact O-N 3.2Å; I370-Q392 WeakPolarHBondContact O-CB 3.29Å; I370-Q392 PolarHBondContact O-N 3.41Å; I370-Q392 VanDerWaalsContact O-N 3.13Å
371K91.8Very high90.1Very high129 Ų12980.5 Ų80.556%0.56140%0.404SS*.SBendtrans-138.4137.5-175.6-170.3175.1-175.9175.60108.8D390K371-D390 WeakPolarHBondContact CA-OD2 3.19Å
372L92.9Very high90.5Very high41 Ų4173.5 Ų73.522%0.21537%0.373CS..PPolyproline II helixtrans-58.7150.2175.1-73.5166.1000112.4Y381 P388 D390L372-Y381 HydrophobicContact CD2-CE1 3.96Å; L372-P388 HydrophobicContact CD1-CB 3.81Å; L372-P388 HydrophobicContact CD2-CB 3.92Å; L372-D390 HydrophobicContact CD2-CB 4.49Å; L372-D390 HydrophobicContact CG-CB 3.96Å; L372-D390 WeakPolarHBondContact CG-OD2 3.43Å; L372-D390 PolarHBondContact N-OD2 3.05Å
373P88.5Confident90.8Very high48 Ų4877.4 Ų77.431%0.31238%0.376SS..PPolyproline II helixtrans-55.8145.1170.1-2333.2000111.8R375 Y378 Y382P373-R375 PolarHBondContact O-N 2.98Å; P373-Y378 HydrophobicContact CB-CD2 3.68Å; P373-Y378 HydrophobicContact CB-CE2 4.47Å; P373-Y378 HydrophobicContact CB-CG 4Å; P373-Y382 WeakPolarHBondContact O-CE2 3.43Å; P373-Y382 PolarHBondContact O-OH 2.85Å
374S88.2Confident90.7Very high50 Ų5075.7 Ų75.735%0.3538%0.377SS..PPolyproline II helixtrans-60.9132.7177.8176.80000110.9M376 E377 Y378S374-M376 PolarHBondContact O-N 3.46Å; S374-M376 VanDerWaalsContact O-N 3.17Å; S374-M376 PolarHBondContact OG-N 3.32Å; S374-E377 WeakPolarHBondContact CB-OE2 3.45Å; S374-E377 PolarHBondContact O-N 3.3Å; S374-Y378 PolarHBondContact O-N 3.2Å
375R89.9Confident90.8Very high165 Ų16573.3 Ų73.362%0.62336%0.362SS*.THydrogen-bonded Turntrans-64.8-17.2176.4-163.1172.1-153.2-83.3-5.5113.1P373 Y382P373-R375 PolarHBondContact O-N 2.98Å; R375-Y382 HydrophobicContact CB-CD2 4.05Å; R375-Y382 HydrophobicContact CB-CE2 3.78Å; R375-Y382 HydrophobicContact CG-CD2 3.71Å; R375-Y382 HydrophobicContact CG-CE2 3.98Å; R375-Y382 HydrophobicContact CG-CG 4.09Å
376M84.2Confident90.8Very high178 Ų17880.7 Ų80.788%0.87739%0.394SS*.THydrogen-bonded Turntrans-82.3-30.2172.6-67.6-179.161.700112.8S374S374-M376 PolarHBondContact O-N 3.46Å; S374-M376 VanDerWaalsContact O-N 3.17Å; S374-M376 PolarHBondContact OG-N 3.32Å
377E82.8Confident90.7Very high141 Ų14187.8 Ų87.866%0.65942%0.424SS*.THydrogen-bonded Turntrans-90.7-38-177.5-64.1172.5161.500111.9S374 P379S374-E377 WeakPolarHBondContact CB-OE2 3.45Å; S374-E377 PolarHBondContact O-N 3.3Å; E377-P379 VanDerWaalsContact C-CD 3.49Å; E377-P379 WeakPolarHBondContact O-CD 3.47Å
378Y85.1Confident90.8Very high116 Ų11685.2 Ų85.246%0.45541%0.409SS..  trans-127.168-177.8-63.8-89.9000110.7P373 S374 D380 Y382P373-Y378 HydrophobicContact CB-CD2 3.68Å; P373-Y378 HydrophobicContact CB-CE2 4.47Å; P373-Y378 HydrophobicContact CB-CG 4Å; S374-Y378 PolarHBondContact O-N 3.2Å; Y378-D380 VanDerWaalsContact C-N 3.32Å; Y378-D380 PolarHBondContact O-N 2.84Å; Y378-Y382 VanDerWaalsContact O-CD2 3.31Å; Y378-Y382 WeakPolarHBondContact O-CD2 3.38Å
379P89.7Confident90.9Very high65 Ų6580.9 Ų80.942%0.42239%0.387SS..THydrogen-bonded Turntrans-64.5-36.9-179.726.1-33.9000112.6E377 Y381 Y382 E383E377-P379 VanDerWaalsContact C-CD 3.49Å; E377-P379 WeakPolarHBondContact O-CD 3.47Å; P379-Y381 VanDerWaalsContact C-N 3.34Å; P379-Y381 PolarHBondContact O-N 2.96Å; P379-Y382 PolarHBondContact O-N 3.2Å; P379-Y382 VanDerWaalsContact O-N 3.13Å; P379-E383 PolarHBondContact O-N 2.97Å
380D90.4Very high90.9Very high64 Ų6481.2 Ų81.234%0.34239%0.389SS..THydrogen-bonded Turntrans-62.8-34.2179.867.4-51.7000113.1Y378 Y382 E383 V384 Y423Y378-D380 VanDerWaalsContact C-N 3.32Å; Y378-D380 PolarHBondContact O-N 2.84Å; D380-Y382 PolarHBondContact O-N 2.83Å; D380-E383 WeakPolarHBondContact O-CA 3.4Å; D380-E383 WeakPolarHBondContact O-CB 3.47Å; D380-E383 PolarHBondContact O-N 3.01Å; D380-V384 PolarHBondContact O-N 3.36Å; D380-Y423 PolarHBondContact OD1-OH 3.22Å; D380-Y423 WeakPolarHBondContact OD2-CE2 3.48Å; D380-Y423 PolarHBondContact OD2-OH 2.67Å
381Y92Very high91Very high18 Ų1877.8 Ų77.87%0.07137%0.372CS..Hα-helixtrans-53-43171.9176-95.2000111.4L372 P379 E383 V384 I385 P388 Y423L372-Y381 HydrophobicContact CD2-CE1 3.96Å; P379-Y381 VanDerWaalsContact C-N 3.34Å; P379-Y381 PolarHBondContact O-N 2.96Å; Y381-E383 VanDerWaalsContact C-N 3.27Å; Y381-E383 PolarHBondContact O-N 3.38Å; Y381-V384 PolarHBondContact O-N 3.32Å; Y381-I385 HydrophobicContact CD2-CG1 4.01Å; Y381-I385 HydrophobicContact CE1-CB 4.25Å; Y381-I385 HydrophobicContact CE1-CG1 4.44Å; Y381-I385 HydrophobicContact CE1-CG2 4.37Å; Y381-I385 HydrophobicContact CE2-CB 4.35Å; Y381-I385 HydrophobicContact CE2-CG1 3.66Å; Y381-I385 VanDerWaalsContact O-CB 3.27Å; Y381-I385 WeakPolarHBondContact O-CB 3.16Å; Y381-I385 PolarHBondContact O-N 3.08Å; Y381-P388 HydrophobicContact CE1-CB 4.24Å; Y381-Y423 AromaticContact CD2-CD1 3.68Å; Y381-Y423 HydrophobicContact CD2-CD1 3.68Å; Y381-Y423 AromaticContact CD2-CD2 3.91Å; Y381-Y423 HydrophobicContact CD2-CD2 3.91Å; Y381-Y423 AromaticContact CD2-CE1 3.95Å; Y381-Y423 HydrophobicContact CD2-CE1 3.95Å; Y381-Y423 HydrophobicContact CD2-CE2 4.2Å; Y381-Y423 AromaticContact CD2-CG 3.65Å; Y381-Y423 HydrophobicContact CD2-CG 3.65Å; Y381-Y423 HydrophobicContact CE2-CD1 4.27Å; Y381-Y423 HydrophobicContact CE2-CG 4.2Å
382Y92.4Very high91.2Very high44 Ų4475.4 Ų75.417%0.17336%0.362CS..Hα-helixtrans-77.5-9.8179-64.9-88.4000113.6P373 R375 Y378 P379 D380 P388P373-Y382 WeakPolarHBondContact O-CE2 3.43Å; P373-Y382 PolarHBondContact O-OH 2.85Å; R375-Y382 HydrophobicContact CB-CD2 4.05Å; R375-Y382 HydrophobicContact CB-CE2 3.78Å; R375-Y382 HydrophobicContact CG-CD2 3.71Å; R375-Y382 HydrophobicContact CG-CE2 3.98Å; R375-Y382 HydrophobicContact CG-CG 4.09Å; Y378-Y382 VanDerWaalsContact O-CD2 3.31Å; Y378-Y382 WeakPolarHBondContact O-CD2 3.38Å; P379-Y382 PolarHBondContact O-N 3.2Å; P379-Y382 VanDerWaalsContact O-N 3.13Å; D380-Y382 PolarHBondContact O-N 2.83Å; Y382-P388 HydrophobicContact CD1-CB 4.44Å; Y382-P388 HydrophobicContact CD1-CG 4.12Å; Y382-P388 HydrophobicContact CE1-CB 4.13Å; Y382-P388 HydrophobicContact CE1-CG 4.07Å
383E89.4Confident91.3Very high136 Ų13677.8 Ų77.864%0.63637%0.371SS*.Hα-helixtrans-83.9-42.2169.6-58.9-174170.500110.8P379 D380 Y381 K386P379-E383 PolarHBondContact O-N 2.97Å; D380-E383 WeakPolarHBondContact O-CA 3.4Å; D380-E383 WeakPolarHBondContact O-CB 3.47Å; D380-E383 PolarHBondContact O-N 3.01Å; Y381-E383 VanDerWaalsContact C-N 3.27Å; Y381-E383 PolarHBondContact O-N 3.38Å; E383-K386 VanDerWaalsContact O-CE 3.31Å; E383-K386 WeakPolarHBondContact O-CE 3.4Å; E383-K386 PolarHBondContact O-NZ 2.85Å
384V90.4Very high91.6Very high60 Ų6075.5 Ų75.536%0.36436%0.356SS..Hα-helixtrans-77.6-40.5179.6-179.30000112.3D380 Y381 K422 Y423D380-V384 PolarHBondContact O-N 3.36Å; Y381-V384 PolarHBondContact O-N 3.32Å; V384-K422 HydrophobicContact CG1-CG 4.5Å; V384-K422 PolarHBondContact O-NZ 2.75Å; V384-Y423 HydrophobicContact CB-CD2 4.2Å; V384-Y423 HydrophobicContact CG1-CD2 4.43Å; V384-Y423 HydrophobicContact CG2-CD2 4.39Å
385I94.2Very high92Very high3 Ų376.9 Ų76.92%0.01535%0.354CS..  trans-99.3105.4-174.7-58.1-53.2000110.9Y381 P388 N419 K422Y381-I385 HydrophobicContact CD2-CG1 4.01Å; Y381-I385 HydrophobicContact CE1-CB 4.25Å; Y381-I385 HydrophobicContact CE1-CG1 4.44Å; Y381-I385 HydrophobicContact CE1-CG2 4.37Å; Y381-I385 HydrophobicContact CE2-CB 4.35Å; Y381-I385 HydrophobicContact CE2-CG1 3.66Å; Y381-I385 VanDerWaalsContact O-CB 3.27Å; Y381-I385 WeakPolarHBondContact O-CB 3.16Å; Y381-I385 PolarHBondContact O-N 3.08Å; I385-P388 HydrophobicContact CG2-CB 4.31Å; I385-N419 HydrophobicContact CD1-CB 4.22Å; I385-N419 WeakPolarHBondContact CD1-O 3.46Å; I385-N419 HydrophobicContact CG2-CB 3.98Å; I385-N419 VanDerWaalsContact CG2-CG 3.47Å; I385-N419 WeakPolarHBondContact CG2-OD1 3.38Å; I385-K422 HydrophobicContact CD1-CB 4.05Å; I385-K422 HydrophobicContact CD1-CD 3.89Å; I385-K422 HydrophobicContact CD1-CG 4.13Å
386K92.7Very high92.1Very high162 Ų16270.6 Ų70.670%0.70433%0.333SS*.SBendtrans-82.3-17.5-174.8-55.6-52.9-169.5-171.70114.8E383E383-K386 VanDerWaalsContact O-CE 3.31Å; E383-K386 WeakPolarHBondContact O-CE 3.4Å; E383-K386 PolarHBondContact O-NZ 2.85Å
387K93.7Very high92.6Very high152 Ų15265.4 Ų65.466%0.66130%0.304SS*.SBendtrans-131.968.3179.4-66.4-174.6179.6-1800110.6L415 N419K387-L415 HydrophobicContact CB-CD1 4.46Å; K387-L415 HydrophobicContact CB-CD2 4.07Å; K387-N419 PolarHBondContact O-ND2 2.84Å
388P95.5Very high93.1Very high33 Ų3359.2 Ų59.221%0.21428%0.275CS..  trans-67.2135.2-179.730.2-36.2000111.1L372 Y381 Y382 I385L372-P388 HydrophobicContact CD1-CB 3.81Å; L372-P388 HydrophobicContact CD2-CB 3.92Å; Y381-P388 HydrophobicContact CE1-CB 4.24Å; Y382-P388 HydrophobicContact CD1-CB 4.44Å; Y382-P388 HydrophobicContact CD1-CG 4.12Å; Y382-P388 HydrophobicContact CE1-CB 4.13Å; Y382-P388 HydrophobicContact CE1-CG 4.07Å; I385-P388 HydrophobicContact CG2-CB 4.31Å
389I96.1Very high93.2Very high7 Ų755.6 Ų55.64%0.03627%0.267CS..  trans-149.9146.8-179.3-173163.3000108.5K393 I394 D412 L415 M416I389-K393 HydrophobicContact CG1-CB 4.42Å; I389-K393 HydrophobicContact CG1-CD 4.29Å; I389-I394 HydrophobicContact CD1-CD1 4.1Å; I389-I394 HydrophobicContact CD1-CG1 3.72Å; I389-I394 HydrophobicContact CG1-CD1 4.11Å; I389-I394 HydrophobicContact CG1-CG1 3.88Å; I389-D412 HydrophobicContact CD1-CB 3.69Å; I389-L415 HydrophobicContact CG2-CB 4.47Å; I389-L415 HydrophobicContact CG2-CD2 4.15Å; I389-L415 HydrophobicContact CG2-CG 4.03Å; I389-M416 HydrophobicContact CG2-CB 3.94Å; I389-M416 HydrophobicContact CG2-CG 4.41Å
390D96.1Very high93.1Very high19 Ų1953.8 Ų53.810%0.10226%0.256CS..  trans-135.3171.8176.253.825.9000110.7K371 L372 Q392 K393 I394K371-D390 WeakPolarHBondContact CA-OD2 3.19Å; L372-D390 HydrophobicContact CD2-CB 4.49Å; L372-D390 HydrophobicContact CG-CB 3.96Å; L372-D390 WeakPolarHBondContact CG-OD2 3.43Å; L372-D390 PolarHBondContact N-OD2 3.05Å; D390-Q392 VanDerWaalsContact C-N 3.27Å; D390-Q392 PolarHBondContact O-N 3.04Å; D390-Q392 PolarHBondContact OD1-N 3.27Å; D390-K393 PolarHBondContact O-N 3.41Å; D390-K393 WeakPolarHBondContact OD1-CB 3.35Å; D390-K393 PolarHBondContact OD1-N 3.27Å; D390-I394 WeakPolarHBondContact O-CG1 3.45Å; D390-I394 PolarHBondContact O-N 3.26Å; D390-I394 VanDerWaalsContact O-N 3.11Å
391M96.2Very high92.9Very high3 Ų352.9 Ų52.92%0.01525%0.251CS..Hα-helixtrans-62.9-30.8178.5-77.6-78.2156.300112.7Y351 I354 F369 I394 Y395 I413 M416Y351-M391 HydrophobicContact CD2-SD 3.85Å; Y351-M391 HydrophobicContact CE2-CB 4.2Å; Y351-M391 HydrophobicContact CE2-CG 4.46Å; Y351-M391 WeakPolarHBondContact CE2-O 3.33Å; Y351-M391 HydrophobicContact CE2-SD 3.37Å; Y351-M391 WeakPolarHBondContact CE2-SD 3.44Å; Y351-M391 PolarHBondContact OH-O 3.05Å; I354-M391 HydrophobicContact CG2-CE 3.71Å; F369-M391 HydrophobicContact CB-CG 4.47Å; F369-M391 PolarHBondContact O-N 3.45Å; M391-I394 PolarHBondContact O-N 2.92Å; M391-Y395 WeakPolarHBondContact O-CB 3.39Å; M391-Y395 PolarHBondContact O-N 3.19Å; M391-I413 HydrophobicContact CE-CB 4.48Å; M391-I413 HydrophobicContact CE-CG1 4.1Å; M391-I413 HydrophobicContact CE-CG2 3.7Å; M391-M416 HydrophobicContact CE-CE 3.35Å; M391-M416 HydrophobicContact CE-SD 3.91Å; M391-M416 HydrophobicContact CG-CE 4.08Å; M391-M416 HydrophobicContact CG-SD 3.79Å
392Q94.2Very high92.7Very high78 Ų7857.4 Ų57.436%0.36427%0.272SS..Hα-helixtrans-64.2-44.2174.9-174.663.124.300112E289 I370 D390 I394 Y395 N396E289-Q392 PolarHBondContact OE2-NE2 3.12Å; I370-Q392 WeakPolarHBondContact O-CB 3.29Å; I370-Q392 PolarHBondContact O-N 3.41Å; I370-Q392 VanDerWaalsContact O-N 3.13Å; D390-Q392 VanDerWaalsContact C-N 3.27Å; D390-Q392 PolarHBondContact O-N 3.04Å; D390-Q392 PolarHBondContact OD1-N 3.27Å; Q392-I394 VanDerWaalsContact C-N 3.33Å; Q392-I394 PolarHBondContact O-N 3.45Å; Q392-Y395 WeakPolarHBondContact O-CB 3.5Å; Q392-Y395 PolarHBondContact O-N 3.01Å; Q392-N396 PolarHBondContact O-N 3.16Å; Q392-N396 PolarHBondContact O-ND2 3.12Å
393K94.9Very high92.6Very high92 Ų9255.6 Ų55.640%0.427%0.265SS..Hα-helixtrans-65-37.1175.5-172.2169.1-177.5175.10112I389 D390 N396 R397I389-K393 HydrophobicContact CG1-CB 4.42Å; I389-K393 HydrophobicContact CG1-CD 4.29Å; D390-K393 PolarHBondContact O-N 3.41Å; D390-K393 WeakPolarHBondContact OD1-CB 3.35Å; D390-K393 PolarHBondContact OD1-N 3.27Å; K393-N396 PolarHBondContact O-N 2.98Å; K393-R397 WeakPolarHBondContact O-CG 3.43Å; K393-R397 PolarHBondContact O-N 2.92Å
394I96.3Very high92.3Very high0 Ų056.5 Ų56.50%027%0.269CS..Hα-helixtrans-66.9-44.7174.9-65.7169.3000110.7Y351 I389 D390 M391 Q392 N396 R397 I398 Y403 L409 D412 I413 M416Y351-I394 HydrophobicContact CD2-CG2 3.84Å; Y351-I394 HydrophobicContact CE2-CB 4.35Å; Y351-I394 HydrophobicContact CE2-CG2 4.06Å; I389-I394 HydrophobicContact CD1-CD1 4.1Å; I389-I394 HydrophobicContact CD1-CG1 3.72Å; I389-I394 HydrophobicContact CG1-CD1 4.11Å; I389-I394 HydrophobicContact CG1-CG1 3.88Å; D390-I394 WeakPolarHBondContact O-CG1 3.45Å; D390-I394 PolarHBondContact O-N 3.26Å; D390-I394 VanDerWaalsContact O-N 3.11Å; M391-I394 PolarHBondContact O-N 2.92Å; Q392-I394 VanDerWaalsContact C-N 3.33Å; Q392-I394 PolarHBondContact O-N 3.45Å; I394-N396 VanDerWaalsContact C-N 3.3Å; I394-N396 PolarHBondContact O-N 3.03Å; I394-R397 WeakPolarHBondContact O-CB 3.29Å; I394-R397 PolarHBondContact O-N 3.45Å; I394-I398 HydrophobicContact CG2-CD1 4.34Å; I394-I398 WeakPolarHBondContact O-CG1 3.32Å; I394-I398 PolarHBondContact O-N 2.78Å; I394-Y403 HydrophobicContact CG2-CE2 4.38Å; I394-L409 HydrophobicContact CG2-CD1 3.46Å; I394-L409 VanDerWaalsContact CG2-CD1 3.46Å; I394-D412 HydrophobicContact CD1-CB 4.35Å; I394-D412 HydrophobicContact CG1-CB 4.28Å; I394-I413 HydrophobicContact CD1-CG1 3.88Å; I394-I413 HydrophobicContact CG2-CG1 4.25Å; I394-M416 HydrophobicContact CD1-SD 4.3Å
395Y95.2Very high92.1Very high79 Ų7956.9 Ų56.931%0.3127%0.269SS..Hα-helixtrans-54.1-45.7174.1179.9-83.3000112.1W348 Y351 M391 Q392 R397 I398 S399W348-Y395 HydrophobicContact CH2-CD1 4.44Å; W348-Y395 AromaticContact CH2-CD2 3.52Å; W348-Y395 HydrophobicContact CH2-CD2 3.52Å; W348-Y395 HydrophobicContact CH2-CE1 4.28Å; W348-Y395 AromaticContact CH2-CE2 3.35Å; W348-Y395 HydrophobicContact CH2-CE2 3.35Å; W348-Y395 HydrophobicContact CH2-CG 4.07Å; W348-Y395 AromaticContact CH2-CZ 3.74Å; W348-Y395 AromaticContact CZ3-CD2 3.48Å; W348-Y395 HydrophobicContact CZ3-CD2 3.48Å; W348-Y395 VanDerWaalsContact CZ3-CD2 3.48Å; W348-Y395 AromaticContact CZ3-CE2 3.44Å; W348-Y395 HydrophobicContact CZ3-CE2 3.44Å; W348-Y395 VanDerWaalsContact CZ3-CE2 3.44Å; W348-Y395 HydrophobicContact CZ3-CG 4.36Å; Y351-Y395 AromaticContact CE1-CD2 3.8Å; Y351-Y395 HydrophobicContact CE1-CD2 3.8Å; M391-Y395 WeakPolarHBondContact O-CB 3.39Å; M391-Y395 PolarHBondContact O-N 3.19Å; Q392-Y395 WeakPolarHBondContact O-CB 3.5Å; Q392-Y395 PolarHBondContact O-N 3.01Å; Y395-R397 VanDerWaalsContact C-N 3.35Å; Y395-I398 PolarHBondContact O-N 2.94Å; Y395-S399 WeakPolarHBondContact O-CB 3.48Å; Y395-S399 PolarHBondContact O-N 2.83Å; Y395-S399 PolarHBondContact O-OG 3.35Å
396N93Very high91.8Very high33 Ų3357.6 Ų57.618%0.17627%0.273CS..Hα-helixtrans-66.4-35.5177.5-70.9-19.7000112.1E289 Q392 K393 I394 S399 S400E289-N396 WeakPolarHBondContact CG-ND2 3.28Å; E289-N396 PolarHBondContact OE2-ND2 2.8Å; E289-N396 PolarHBondContact OE2-OD1 3.22Å; Q392-N396 PolarHBondContact O-N 3.16Å; Q392-N396 PolarHBondContact O-ND2 3.12Å; K393-N396 PolarHBondContact O-N 2.98Å; I394-N396 VanDerWaalsContact C-N 3.3Å; I394-N396 PolarHBondContact O-N 3.03Å; N396-S399 PolarHBondContact O-N 2.78Å; N396-S400 WeakPolarHBondContact O-CB 3.42Å; N396-S400 PolarHBondContact O-N 2.84Å; N396-S400 PolarHBondContact O-OG 3.46Å
397R94.5Very high91.7Very high69 Ų6953.4 Ų53.426%0.2626%0.258SS..Hα-helixtrans-69.4-35.6174.3-77.9178.4167.6-174.6-6.5113.5K393 I394 Y395 S400 N401 H402 Y403 D412K393-R397 WeakPolarHBondContact O-CG 3.43Å; K393-R397 PolarHBondContact O-N 2.92Å; I394-R397 WeakPolarHBondContact O-CB 3.29Å; I394-R397 PolarHBondContact O-N 3.45Å; Y395-R397 VanDerWaalsContact C-N 3.35Å; R397-S400 PolarHBondContact O-OG 3.22Å; R397-N401 PolarHBondContact O-N 3.35Å; R397-H402 HydrophobicContact CB-CB 3.99Å; R397-H402 HydrophobicContact CG-CB 4.18Å; R397-H402 VanDerWaalsContact O-CB 3.24Å; R397-H402 WeakPolarHBondContact O-CB 3.44Å; R397-H402 PolarHBondContact O-N 3.31Å; R397-Y403 HydrophobicContact CB-CD2 4.19Å; R397-Y403 HydrophobicContact CB-CE1 4.44Å; R397-Y403 HydrophobicContact CB-CE2 3.36Å; R397-Y403 WeakPolarHBondContact CB-OH 3.42Å; R397-Y403 VanDerWaalsContact CD-OH 3.31Å; R397-Y403 WeakPolarHBondContact CD-OH 3.42Å; R397-D412 WeakPolarHBondContact CD-OD2 3.44Å; R397-D412 IonicContact CZ-OD2 3.54Å; R397-D412 IonicContact NE-OD2 2.76Å; R397-D412 VanDerWaalsContact NH1-CG 3.28Å; R397-D412 IonicContact NH1-OD1 2.9Å; R397-D412 PolarHBondContact NH1-OD1 3.48Å; R397-D412 VanDerWaalsContact NH1-OD1 3.17Å; R397-D412 IonicContact NH1-OD2 3.45Å; R397-D412 PolarHBondContact NH1-OD2 3.44Å
398I92.5Very high91.6Very high10 Ų1047.9 Ų47.95%0.05124%0.242CC..Hα-helixtrans-66.3-48.1170.7-57.7171.8000109.5L347 W348 Y351 I394 Y395 S400 N401 Y403 L409L347-I398 HydrophobicContact CB-CG2 4.06Å; W348-I398 HydrophobicContact CD2-CG2 3.82Å; W348-I398 VanDerWaalsContact CE2-CG2 3.43Å; W348-I398 HydrophobicContact CE3-CG2 4.4Å; W348-I398 HydrophobicContact CG-CG2 4.19Å; W348-I398 HydrophobicContact CH2-CB 4.31Å; W348-I398 HydrophobicContact CH2-CG2 4.27Å; W348-I398 HydrophobicContact CZ2-CB 4.1Å; W348-I398 HydrophobicContact CZ2-CG2 3.7Å; Y351-I398 HydrophobicContact CD2-CD1 3.8Å; Y351-I398 HydrophobicContact CG-CD1 3.7Å; I394-I398 HydrophobicContact CG2-CD1 4.34Å; I394-I398 WeakPolarHBondContact O-CG1 3.32Å; I394-I398 PolarHBondContact O-N 2.78Å; Y395-I398 PolarHBondContact O-N 2.94Å; I398-S400 PolarHBondContact O-N 3.27Å; I398-N401 PolarHBondContact O-N 3.37Å; I398-Y403 HydrophobicContact CB-CD2 4.49Å; I398-Y403 HydrophobicContact CG1-CD2 3.76Å; I398-Y403 HydrophobicContact CG1-CE2 3.68Å; I398-L409 HydrophobicContact CD1-CD1 3.93Å; I398-L409 HydrophobicContact CD1-CD2 4.09Å; I398-L409 HydrophobicContact CG1-CD1 4.05Å
399S88.9Confident91.6Very high41 Ų4146.3 Ų46.329%0.28723%0.231SC..Hα-helixtrans-61.2-39.9-177.1-57.60000113.5W348 Y395 N396 N401W348-S399 WeakPolarHBondContact CZ2-OG 3.38Å; Y395-S399 WeakPolarHBondContact O-CB 3.48Å; Y395-S399 PolarHBondContact O-N 2.83Å; Y395-S399 PolarHBondContact O-OG 3.35Å; N396-S399 PolarHBondContact O-N 2.78Å; S399-N401 PolarHBondContact O-N 2.98Å
400S87.3Confident91.6Very high27 Ų2746.6 Ų46.619%0.18923%0.233CC..THydrogen-bonded Turntrans-81.54.3177.155.30000114.2N396 R397 I398 H402N396-S400 WeakPolarHBondContact O-CB 3.42Å; N396-S400 PolarHBondContact O-N 2.84Å; N396-S400 PolarHBondContact O-OG 3.46Å; R397-S400 PolarHBondContact O-OG 3.22Å; I398-S400 PolarHBondContact O-N 3.27Å; S400-H402 PolarHBondContact O-N 3.34Å
401N85.9Confident91.5Very high45 Ų4548.5 Ų48.524%0.24125%0.252CS..THydrogen-bonded Turntrans57.144.2-178-170.812.6000113.3N278 R343 R397 I398 S399N278-N401 PolarHBondContact ND2-ND2 3.27Å; N278-N401 VanDerWaalsContact ND2-ND2 3.12Å; R343-N401 PolarHBondContact NH1-OD1 2.82Å; R343-N401 PolarHBondContact NH2-OD1 3.27Å; R397-N401 PolarHBondContact O-N 3.35Å; I398-N401 PolarHBondContact O-N 3.37Å; S399-N401 PolarHBondContact O-N 2.98Å
402H87.9Confident91.5Very high113 Ų11349.4 Ų49.452%0.52326%0.257SS..  trans-81.2-26179.9-168.375000113.1R397 S400R397-H402 HydrophobicContact CB-CB 3.99Å; R397-H402 HydrophobicContact CG-CB 4.18Å; R397-H402 VanDerWaalsContact O-CB 3.24Å; R397-H402 WeakPolarHBondContact O-CB 3.44Å; R397-H402 PolarHBondContact O-N 3.31Å; S400-H402 PolarHBondContact O-N 3.34Å
403Y89.9Confident91.6Very high5 Ų545.7 Ų45.72%0.0224%0.239CC..  trans-87.8116.6179.4-59.2-64000111.1R343 I394 R397 I398 N405 A408 L409 D412R343-Y403 PolarHBondContact NH1-O 3.32Å; I394-Y403 HydrophobicContact CG2-CE2 4.38Å; R397-Y403 HydrophobicContact CB-CD2 4.19Å; R397-Y403 HydrophobicContact CB-CE1 4.44Å; R397-Y403 HydrophobicContact CB-CE2 3.36Å; R397-Y403 WeakPolarHBondContact CB-OH 3.42Å; R397-Y403 VanDerWaalsContact CD-OH 3.31Å; R397-Y403 WeakPolarHBondContact CD-OH 3.42Å; I398-Y403 HydrophobicContact CB-CD2 4.49Å; I398-Y403 HydrophobicContact CG1-CD2 3.76Å; I398-Y403 HydrophobicContact CG1-CE2 3.68Å; Y403-N405 VanDerWaalsContact C-N 3.32Å; Y403-N405 PolarHBondContact O-N 3.49Å; Y403-A408 HydrophobicContact CD1-CB 3.87Å; Y403-L409 HydrophobicContact CD1-CB 4.23Å; Y403-L409 HydrophobicContact CD2-CB 4.18Å; Y403-L409 HydrophobicContact CD2-CD1 4.04Å; Y403-L409 HydrophobicContact CE2-CB 4.46Å; Y403-L409 HydrophobicContact CE2-CD1 3.62Å; Y403-L409 HydrophobicContact CG-CB 4.06Å; Y403-D412 HydrophobicContact CE1-CB 4.15Å; Y403-D412 WeakPolarHBondContact CE1-OD2 3.43Å; Y403-D412 VanDerWaalsContact CZ-OD2 3.28Å; Y403-D412 PolarHBondContact OH-OD2 2.94Å
404E83.3Confident91.6Very high155 Ų15542.3 Ų42.372%0.72423%0.229SC*.SBendtrans-65.2-37.1177-62.5-173.3163.900112.1R343R343-E404 WeakPolarHBondContact CD-O 3.43Å; R343-E404 PolarHBondContact NH1-O 2.79Å
405N85.5Confident91.6Very high68 Ų6844.6 Ų44.636%0.36424%0.24SC..SBendtrans-150.6175.9-173.159.554.2000111.4Y403 D407 A408Y403-N405 VanDerWaalsContact C-N 3.32Å; Y403-N405 PolarHBondContact O-N 3.49Å; N405-D407 VanDerWaalsContact C-N 3.33Å; N405-D407 PolarHBondContact O-N 3.18Å; N405-D407 WeakPolarHBondContact OD1-CB 3.38Å; N405-D407 PolarHBondContact OD1-N 3.25Å; N405-A408 PolarHBondContact O-N 3.39Å; N405-A408 PolarHBondContact OD1-N 3.05Å
406L88.6Confident91.6Very high18 Ų1841.1 Ų41.19%0.09423%0.227CC..Hα-helixtrans-67.2-30.3-178.3-164.369000113.1L347 L350 L409 V410 K445 L448 Q449L347-L406 HydrophobicContact CD2-CD1 4.06Å; L350-L406 HydrophobicContact CB-CD1 4.09Å; L350-L406 HydrophobicContact CD2-CD1 3.65Å; L350-L406 HydrophobicContact CD2-CG 4.05Å; L406-L409 PolarHBondContact O-N 2.04Å; L406-V410 VanDerWaalsContact O-CG2 3.23Å; L406-V410 WeakPolarHBondContact O-CG2 3.07Å; L406-V410 PolarHBondContact O-N 3.04Å; L406-K445 HydrophobicContact CD2-CG 4.08Å; L406-L448 HydrophobicContact CD2-CB 4.02Å; L406-Q449 HydrophobicContact CD2-CG 3.75Å
407D90.2Very high91.7Very high74 Ų7439.6 Ų39.640%0.39622%0.219SC..Hα-helixtrans-67.7-36179.9-65.8-73.1000112.2N405 V410 A411 K445 Q449N405-D407 VanDerWaalsContact C-N 3.33Å; N405-D407 PolarHBondContact O-N 3.18Å; N405-D407 WeakPolarHBondContact OD1-CB 3.38Å; N405-D407 PolarHBondContact OD1-N 3.25Å; D407-V410 PolarHBondContact O-N 2.88Å; D407-A411 PolarHBondContact O-N 3.1Å; D407-K445 WeakPolarHBondContact OD1-CE 3.47Å; D407-K445 IonicContact OD1-NZ 2.76Å; D407-K445 PolarHBondContact OD1-NZ 3.32Å; D407-Q449 PolarHBondContact OD2-NE2 3.44Å
408A92.8Very high91.7Very high37 Ų3740.1 Ų40.131%0.30623%0.227SC..Hα-helixtrans-63.7-40.3174.500000112.5Y403 N405 A411 D412Y403-A408 HydrophobicContact CD1-CB 3.87Å; N405-A408 PolarHBondContact O-N 3.39Å; N405-A408 PolarHBondContact OD1-N 3.05Å; A408-A411 PolarHBondContact O-N 2.97Å; A408-D412 PolarHBondContact O-N 3.46Å
409L95.1Very high91.8Very high0 Ų040.2 Ų40.20%023%0.227CC..Hα-helixtrans-66.4-42173.4173.661.3000111.5L347 L350 I394 I398 Y403 L406 A411 D412 I413L347-L409 HydrophobicContact CB-CD2 4.09Å; L347-L409 HydrophobicContact CD2-CB 3.88Å; L347-L409 HydrophobicContact CD2-CD2 3.74Å; L347-L409 HydrophobicContact CD2-CG 4.46Å; L347-L409 WeakPolarHBondContact O-CD2 3.27Å; L350-L409 HydrophobicContact CB-CD2 4.25Å; L350-L409 HydrophobicContact CD2-CD2 4.19Å; L350-L409 HydrophobicContact CD2-CG 4.47Å; I394-L409 HydrophobicContact CG2-CD1 3.46Å; I394-L409 VanDerWaalsContact CG2-CD1 3.46Å; I398-L409 HydrophobicContact CD1-CD1 3.93Å; I398-L409 HydrophobicContact CD1-CD2 4.09Å; I398-L409 HydrophobicContact CG1-CD1 4.05Å; Y403-L409 HydrophobicContact CD1-CB 4.23Å; Y403-L409 HydrophobicContact CD2-CB 4.18Å; Y403-L409 HydrophobicContact CD2-CD1 4.04Å; Y403-L409 HydrophobicContact CE2-CB 4.46Å; Y403-L409 HydrophobicContact CE2-CD1 3.62Å; Y403-L409 HydrophobicContact CG-CB 4.06Å; L406-L409 PolarHBondContact O-N 2.04Å; L409-A411 VanDerWaalsContact C-N 3.3Å; L409-A411 PolarHBondContact O-N 3.24Å; L409-D412 PolarHBondContact O-N 3.04Å; L409-I413 HydrophobicContact CD1-CD1 3.78Å; L409-I413 HydrophobicContact CD1-CG1 4.09Å; L409-I413 HydrophobicContact CD2-CD1 4.48Å; L409-I413 HydrophobicContact CG-CD1 3.84Å; L409-I413 WeakPolarHBondContact O-CG1 3.34Å; L409-I413 PolarHBondContact O-N 2.53Å
410V94.7Very high92Very high12 Ų1238.6 Ų38.67%0.07322%0.217CC..Hα-helixtrans-61.4-38.4177.4168.40000111.4L350 L406 D407 I413 A414 L441 K445L350-V410 HydrophobicContact CD2-CG2 3.6Å; L406-V410 VanDerWaalsContact O-CG2 3.23Å; L406-V410 WeakPolarHBondContact O-CG2 3.07Å; L406-V410 PolarHBondContact O-N 3.04Å; D407-V410 PolarHBondContact O-N 2.88Å; V410-I413 PolarHBondContact O-N 3.34Å; V410-A414 WeakPolarHBondContact O-CB 3.05Å; V410-A414 PolarHBondContact O-N 2.95Å; V410-L441 HydrophobicContact CG1-CD2 4.12Å; V410-L441 HydrophobicContact CG1-CG 4.4Å; V410-L441 HydrophobicContact CG2-CD1 4.25Å; V410-K445 HydrophobicContact CB-CD 4.44Å; V410-K445 HydrophobicContact CG1-CD 4.13Å; V410-K445 HydrophobicContact CG2-CB 4.24Å; V410-K445 HydrophobicContact CG2-CD 3.73Å; V410-K445 HydrophobicContact CG2-CG 3.92Å
411A93.9Very high92.1Very high60 Ų6038.5 Ų38.550%0.49622%0.216SC..Hα-helixtrans-62.6-42.617800000112.6D407 A408 L409 L415D407-A411 PolarHBondContact O-N 3.1Å; A408-A411 PolarHBondContact O-N 2.97Å; L409-A411 VanDerWaalsContact C-N 3.3Å; L409-A411 PolarHBondContact O-N 3.24Å; A411-L415 VanDerWaalsContact O-CB 3.32Å; A411-L415 WeakPolarHBondContact O-CB 3.36Å; A411-L415 PolarHBondContact O-N 3.44Å
412D96.1Very high92.4Very high22 Ų2242.7 Ų42.712%0.11823%0.232CC..Hα-helixtrans-69.7-41.2177.2-95.5-4.2000112.6I389 I394 R397 Y403 A408 L409 L415 M416I389-D412 HydrophobicContact CD1-CB 3.69Å; I394-D412 HydrophobicContact CD1-CB 4.35Å; I394-D412 HydrophobicContact CG1-CB 4.28Å; R397-D412 WeakPolarHBondContact CD-OD2 3.44Å; R397-D412 IonicContact CZ-OD2 3.54Å; R397-D412 IonicContact NE-OD2 2.76Å; R397-D412 VanDerWaalsContact NH1-CG 3.28Å; R397-D412 IonicContact NH1-OD1 2.9Å; R397-D412 PolarHBondContact NH1-OD1 3.48Å; R397-D412 VanDerWaalsContact NH1-OD1 3.17Å; R397-D412 IonicContact NH1-OD2 3.45Å; R397-D412 PolarHBondContact NH1-OD2 3.44Å; Y403-D412 HydrophobicContact CE1-CB 4.15Å; Y403-D412 WeakPolarHBondContact CE1-OD2 3.43Å; Y403-D412 VanDerWaalsContact CZ-OD2 3.28Å; Y403-D412 PolarHBondContact OH-OD2 2.94Å; A408-D412 PolarHBondContact O-N 3.46Å; L409-D412 PolarHBondContact O-N 3.04Å; D412-L415 PolarHBondContact O-N 3.25Å; D412-M416 PolarHBondContact O-N 2.91Å; D412-M416 VanDerWaalsContact O-N 3.11Å
413I96.7Very high92.6Very high0 Ų040.5 Ų40.50%022%0.219CC..Hα-helixtrans-67.9-38.9175.8-59.9168.5000110.7M391 I394 L409 V410 M416 F417 L441M391-I413 HydrophobicContact CE-CB 4.48Å; M391-I413 HydrophobicContact CE-CG1 4.1Å; M391-I413 HydrophobicContact CE-CG2 3.7Å; I394-I413 HydrophobicContact CD1-CG1 3.88Å; I394-I413 HydrophobicContact CG2-CG1 4.25Å; L409-I413 HydrophobicContact CD1-CD1 3.78Å; L409-I413 HydrophobicContact CD1-CG1 4.09Å; L409-I413 HydrophobicContact CD2-CD1 4.48Å; L409-I413 HydrophobicContact CG-CD1 3.84Å; L409-I413 WeakPolarHBondContact O-CG1 3.34Å; L409-I413 PolarHBondContact O-N 2.53Å; V410-I413 PolarHBondContact O-N 3.34Å; I413-M416 WeakPolarHBondContact O-CB 3.21Å; I413-M416 PolarHBondContact O-N 3.06Å; I413-F417 HydrophobicContact CG2-CD2 4.11Å; I413-F417 HydrophobicContact CG2-CE2 3.4Å; I413-F417 VanDerWaalsContact CG2-CE2 3.4Å; I413-F417 HydrophobicContact CG2-CZ 3.77Å; I413-F417 WeakPolarHBondContact O-CD2 3.21Å; I413-F417 PolarHBondContact O-N 2.86Å; I413-L441 HydrophobicContact CB-CD1 4Å; I413-L441 HydrophobicContact CB-CD2 3.99Å; I413-L441 HydrophobicContact CD1-CD1 3.76Å; I413-L441 HydrophobicContact CG1-CD1 4.49Å; I413-L441 HydrophobicContact CG2-CD1 3.87Å; I413-L441 HydrophobicContact CG2-CD2 3.84Å; I413-L441 HydrophobicContact CG2-CG 4.4Å
414A94.5Very high92.6Very high21 Ų2142.1 Ų42.117%0.17423%0.229CC..Hα-helixtrans-63.1-46.1175.100000111.4V410 M416 F417 D418 L441V410-A414 WeakPolarHBondContact O-CB 3.05Å; V410-A414 PolarHBondContact O-N 2.95Å; A414-M416 PolarHBondContact O-N 2.84Å; A414-F417 PolarHBondContact O-N 3.18Å; A414-D418 VanDerWaalsContact O-CG 3.24Å; A414-D418 PolarHBondContact O-N 3.11Å; A414-L441 HydrophobicContact CB-CD2 4.35Å
415L96.2Very high92.7Very high47 Ų4739.6 Ų39.625%0.24622%0.22CC..Hα-helixtrans-55.6-37.7174.5175.362.7000112.3K387 I389 A411 D412 N419K387-L415 HydrophobicContact CB-CD1 4.46Å; K387-L415 HydrophobicContact CB-CD2 4.07Å; I389-L415 HydrophobicContact CG2-CB 4.47Å; I389-L415 HydrophobicContact CG2-CD2 4.15Å; I389-L415 HydrophobicContact CG2-CG 4.03Å; A411-L415 VanDerWaalsContact O-CB 3.32Å; A411-L415 WeakPolarHBondContact O-CB 3.36Å; A411-L415 PolarHBondContact O-N 3.44Å; D412-L415 PolarHBondContact O-N 3.25Å; L415-N419 VanDerWaalsContact O-CB 3.28Å; L415-N419 WeakPolarHBondContact O-CB 2.98Å; L415-N419 PolarHBondContact O-N 3.16Å; L415-N419 PolarHBondContact O-ND2 3.45Å
416M97.1Very high92.5Very high7 Ų739.8 Ų39.83%0.03423%0.225CC..Hα-helixtrans-62.5-42.7175.6-167.1-170.173.100112.3F369 I389 M391 I394 D412 I413 A414 A420F369-M416 HydrophobicContact CB-CE 3.54Å; F369-M416 HydrophobicContact CB-SD 3.83Å; F369-M416 HydrophobicContact CD1-CE 3.75Å; F369-M416 HydrophobicContact CD1-CG 4.38Å; F369-M416 HydrophobicContact CD1-SD 4.42Å; F369-M416 HydrophobicContact CG-CE 3.79Å; I389-M416 HydrophobicContact CG2-CB 3.94Å; I389-M416 HydrophobicContact CG2-CG 4.41Å; M391-M416 HydrophobicContact CE-CE 3.35Å; M391-M416 HydrophobicContact CE-SD 3.91Å; M391-M416 HydrophobicContact CG-CE 4.08Å; M391-M416 HydrophobicContact CG-SD 3.79Å; I394-M416 HydrophobicContact CD1-SD 4.3Å; D412-M416 PolarHBondContact O-N 2.91Å; D412-M416 VanDerWaalsContact O-N 3.11Å; I413-M416 WeakPolarHBondContact O-CB 3.21Å; I413-M416 PolarHBondContact O-N 3.06Å; A414-M416 PolarHBondContact O-N 2.84Å; M416-A420 PolarHBondContact O-N 3.33Å
417F94.8Very high92.2Very high0 Ų045.6 Ų45.60%025%0.252CS..Hα-helixtrans-72.7-41176.3-60.3-42.1000112.4I354 F369 I413 A414 N419 A420 C421 A434 L437 Q438 L441I354-F417 HydrophobicContact CG2-CZ 3.84Å; F369-F417 HydrophobicContact CD1-CD1 4.27Å; F369-F417 HydrophobicContact CD1-CE1 4.32Å; F369-F417 AromaticContact CE1-CD1 3.93Å; F369-F417 HydrophobicContact CE1-CD1 3.93Å; F369-F417 HydrophobicContact CE1-CE1 4.27Å; F369-F417 HydrophobicContact CZ-CD1 4.27Å; F369-F417 HydrophobicContact CZ-CE1 4.41Å; I413-F417 HydrophobicContact CG2-CD2 4.11Å; I413-F417 HydrophobicContact CG2-CE2 3.4Å; I413-F417 VanDerWaalsContact CG2-CE2 3.4Å; I413-F417 HydrophobicContact CG2-CZ 3.77Å; I413-F417 WeakPolarHBondContact O-CD2 3.21Å; I413-F417 PolarHBondContact O-N 2.86Å; A414-F417 PolarHBondContact O-N 3.18Å; F417-N419 VanDerWaalsContact C-N 3.31Å; F417-N419 PolarHBondContact O-N 3.04Å; F417-A420 WeakPolarHBondContact O-CB 3.37Å; F417-A420 PolarHBondContact O-N 3.21Å; F417-A420 VanDerWaalsContact O-N 3.09Å; F417-C421 PolarHBondContact O-N 2.79Å; F417-A434 HydrophobicContact CB-CB 4.21Å; F417-A434 HydrophobicContact CD1-CB 4.12Å; F417-L437 HydrophobicContact CD1-CB 4.4Å; F417-L437 HydrophobicContact CE1-CB 3.57Å; F417-L437 HydrophobicContact CE1-CD1 3.75Å; F417-L437 HydrophobicContact CE1-CG 4.34Å; F417-L437 HydrophobicContact CE2-CB 3.85Å; F417-L437 HydrophobicContact CZ-CB 3.27Å; F417-L437 HydrophobicContact CZ-CD1 4.06Å; F417-L437 HydrophobicContact CZ-CG 4.29Å; F417-Q438 HydrophobicContact CB-CB 4.31Å; F417-Q438 HydrophobicContact CD2-CB 3.69Å; F417-Q438 HydrophobicContact CD2-CG 4.16Å; F417-Q438 HydrophobicContact CE2-CB 4.38Å; F417-Q438 HydrophobicContact CG-CB 4.23Å; F417-L441 HydrophobicContact CE2-CD2 4.41Å
418D93.1Very high92.3Very high80 Ų8043.6 Ų43.643%0.42824%0.243SC..Hα-helixtrans-62.8-38.7177-63.9-21.4000111.2A414 C421 K422 Q438A414-D418 VanDerWaalsContact O-CG 3.24Å; A414-D418 PolarHBondContact O-N 3.11Å; D418-C421 PolarHBondContact O-N 3.14Å; D418-K422 WeakPolarHBondContact O-CB 3.04Å; D418-K422 PolarHBondContact O-N 3Å; D418-Q438 PolarHBondContact OD1-NE2 3.16Å
419N94.6Very high92.2Very high12 Ų1246.9 Ų46.96%0.06425%0.252CS..Hα-helixtrans-60.1-44.3171.5-75.9-24.7000111.7I385 K387 L415 F417 K422 Y423I385-N419 HydrophobicContact CD1-CB 4.22Å; I385-N419 WeakPolarHBondContact CD1-O 3.46Å; I385-N419 HydrophobicContact CG2-CB 3.98Å; I385-N419 VanDerWaalsContact CG2-CG 3.47Å; I385-N419 WeakPolarHBondContact CG2-OD1 3.38Å; K387-N419 PolarHBondContact O-ND2 2.84Å; L415-N419 VanDerWaalsContact O-CB 3.28Å; L415-N419 WeakPolarHBondContact O-CB 2.98Å; L415-N419 PolarHBondContact O-N 3.16Å; L415-N419 PolarHBondContact O-ND2 3.45Å; F417-N419 VanDerWaalsContact C-N 3.31Å; F417-N419 PolarHBondContact O-N 3.04Å; N419-K422 PolarHBondContact O-N 2.83Å; N419-Y423 PolarHBondContact O-N 2.99Å; N419-Y423 VanDerWaalsContact O-N 3.16Å
420A93Very high92.1Very high8 Ų849.3 Ų49.37%0.06627%0.265CS..Hα-helixtrans-67-42.917900000111.9F369 M416 F417 K422 Y423 N424 I430 A434F369-A420 HydrophobicContact CE1-CB 3.66Å; M416-A420 PolarHBondContact O-N 3.33Å; F417-A420 WeakPolarHBondContact O-CB 3.37Å; F417-A420 PolarHBondContact O-N 3.21Å; F417-A420 VanDerWaalsContact O-N 3.09Å; A420-K422 VanDerWaalsContact C-N 3.29Å; A420-K422 PolarHBondContact O-N 3.12Å; A420-Y423 PolarHBondContact O-N 3.01Å; A420-N424 WeakPolarHBondContact O-CB 3.33Å; A420-N424 PolarHBondContact O-N 2.92Å; A420-N424 PolarHBondContact O-ND2 3.34Å; A420-I430 HydrophobicContact CB-CG2 4.31Å; A420-A434 HydrophobicContact CB-CB 4.2Å
421C89.9Confident91.9Very high25 Ų2551.5 Ų51.517%0.16927%0.272CS..Hα-helixtrans-67.8-25.3174.2-73.40000113.3F417 D418 Y431F417-C421 PolarHBondContact O-N 2.79Å; D418-C421 PolarHBondContact O-N 3.14Å; C421-Y431 HydrophobicContact CB-CD2 3.91Å; C421-Y431 HydrophobicContact CB-CE2 3.65Å; C421-Y431 VanDerWaalsContact O-CE2 3.22Å; C421-Y431 WeakPolarHBondContact O-CE2 3.31Å
422K92.4Very high91.7Very high132 Ų13252.9 Ų52.957%0.57427%0.267SS*.Hα-helixtrans-76.5-34.3176.3-177-178.9177.1-156.20113.1V384 I385 D418 N419 A420V384-K422 HydrophobicContact CG1-CG 4.5Å; V384-K422 PolarHBondContact O-NZ 2.75Å; I385-K422 HydrophobicContact CD1-CB 4.05Å; I385-K422 HydrophobicContact CD1-CD 3.89Å; I385-K422 HydrophobicContact CD1-CG 4.13Å; D418-K422 WeakPolarHBondContact O-CB 3.04Å; D418-K422 PolarHBondContact O-N 3Å; N419-K422 PolarHBondContact O-N 2.83Å; A420-K422 VanDerWaalsContact C-N 3.29Å; A420-K422 PolarHBondContact O-N 3.12Å
423Y92.4Very high91.6Very high67 Ų6752.2 Ų52.226%0.26326%0.264SS..Hα-helixtrans-94.7-36.1-175.8-179.5-99.4000113.7D380 Y381 V384 N419 A420D380-Y423 PolarHBondContact OD1-OH 3.22Å; D380-Y423 WeakPolarHBondContact OD2-CE2 3.48Å; D380-Y423 PolarHBondContact OD2-OH 2.67Å; Y381-Y423 AromaticContact CD2-CD1 3.68Å; Y381-Y423 HydrophobicContact CD2-CD1 3.68Å; Y381-Y423 AromaticContact CD2-CD2 3.91Å; Y381-Y423 HydrophobicContact CD2-CD2 3.91Å; Y381-Y423 AromaticContact CD2-CE1 3.95Å; Y381-Y423 HydrophobicContact CD2-CE1 3.95Å; Y381-Y423 HydrophobicContact CD2-CE2 4.2Å; Y381-Y423 AromaticContact CD2-CG 3.65Å; Y381-Y423 HydrophobicContact CD2-CG 3.65Å; Y381-Y423 HydrophobicContact CE2-CD1 4.27Å; Y381-Y423 HydrophobicContact CE2-CG 4.2Å; V384-Y423 HydrophobicContact CB-CD2 4.2Å; V384-Y423 HydrophobicContact CG1-CD2 4.43Å; V384-Y423 HydrophobicContact CG2-CD2 4.39Å; N419-Y423 PolarHBondContact O-N 2.99Å; N419-Y423 VanDerWaalsContact O-N 3.16Å; A420-Y423 PolarHBondContact O-N 3.01Å
424N90Very high91.4Very high40 Ų4052.2 Ų52.221%0.21426%0.264CS..SBendtrans-91.3151.4-175.5-61.7-90000112.1A420 S428 Y431A420-N424 WeakPolarHBondContact O-CB 3.33Å; A420-N424 PolarHBondContact O-N 2.92Å; A420-N424 PolarHBondContact O-ND2 3.34Å; N424-S428 WeakPolarHBondContact CB-OG 3.3Å; N424-Y431 WeakPolarHBondContact O-CD2 3.27Å
425D85.5Confident91Very high102 Ų10255.1 Ų55.155%0.54528%0.276SS..  trans-60.6139.1175.3-171.5-70.9000111.8E427 S428 Y431D425-E427 PolarHBondContact O-N 2.97Å; D425-E427 VanDerWaalsContact O-N 3.14Å; D425-E427 WeakPolarHBondContact OD1-CB 3.48Å; D425-E427 PolarHBondContact OD1-N 3.49Å; D425-S428 WeakPolarHBondContact O-CB 3.49Å; D425-S428 PolarHBondContact O-N 2.94Å; D425-S428 PolarHBondContact O-OG 3.41Å; D425-Y431 VanDerWaalsContact O-CB 3.23Å; D425-Y431 WeakPolarHBondContact O-CB 3.42Å
426P81.4Confident90.6Very high72 Ų7257 Ų5747%0.46828%0.284SS..THydrogen-bonded Turntrans-53-29.7176.5-28.836.8000115.7Y431P426-Y431 HydrophobicContact CB-CD1 4.46Å; P426-Y431 HydrophobicContact CB-CE1 4.21Å; P426-Y431 HydrophobicContact CB-CE2 4.33Å; P426-Y431 HydrophobicContact CG-CE2 4.19Å; P426-Y431 WeakPolarHBondContact O-CD1 3.14Å
427E82.1Confident90.4Very high140 Ų14056.7 Ų56.765%0.65428%0.283SS*.THydrogen-bonded Turntrans-83.7-11.1177.1-69.4-58.6151.400113.6D425 K432D425-E427 PolarHBondContact O-N 2.97Å; D425-E427 VanDerWaalsContact O-N 3.14Å; D425-E427 WeakPolarHBondContact OD1-CB 3.48Å; D425-E427 PolarHBondContact OD1-N 3.49Å; E427-K432 WeakPolarHBondContact O-CE 3.49Å; E427-K432 PolarHBondContact O-NZ 3.03Å; E427-K432 IonicContact OE2-NZ 2.72Å; E427-K432 PolarHBondContact OE2-NZ 3.45Å
428S92Very high90.2Very high31 Ų3159 Ų5922%0.21729%0.293CS..SBendtrans-66.1151.6179.574.50000113N424 D425 I430 Y431 K432N424-S428 WeakPolarHBondContact CB-OG 3.3Å; D425-S428 WeakPolarHBondContact O-CB 3.49Å; D425-S428 PolarHBondContact O-N 2.94Å; D425-S428 PolarHBondContact O-OG 3.41Å; S428-I430 VanDerWaalsContact C-N 3.27Å; S428-I430 PolarHBondContact O-N 2.95Å; S428-Y431 PolarHBondContact O-N 3.1Å; S428-Y431 VanDerWaalsContact OG-CB 3.3Å; S428-Y431 WeakPolarHBondContact OG-CB 3.17Å; S428-Y431 PolarHBondContact OG-N 3.26Å; S428-K432 WeakPolarHBondContact O-CG 3.41Å; S428-K432 PolarHBondContact O-N 3.1Å; S428-K432 VanDerWaalsContact O-N 3.16Å
429Q91.1Very high89.6Confident107 Ų10759.5 Ų59.550%0.529%0.289SS..Hα-helixtrans-63.5-34.6175.9-170.260.858.700111.8K432 D433Q429-K432 PolarHBondContact O-N 3.32Å; Q429-D433 PolarHBondContact NE2-OD1 3.04Å; Q429-D433 WeakPolarHBondContact O-CB 3.19Å; Q429-D433 PolarHBondContact O-N 3.47Å
430I92Very high89.4Confident51 Ų5160 Ų6026%0.26229%0.292SS..Hα-helixtrans-65.2-43.2180-58.4174.5000110.7I368 F369 A420 S428 D433 A434I368-I430 HydrophobicContact CG1-CD1 3.98Å; I368-I430 HydrophobicContact CG1-CG1 4.23Å; I368-I430 HydrophobicContact CG2-CG1 4.42Å; I368-I430 HydrophobicContact CG2-CG2 4.25Å; F369-I430 HydrophobicContact CZ-CG2 4.29Å; A420-I430 HydrophobicContact CB-CG2 4.31Å; S428-I430 VanDerWaalsContact C-N 3.27Å; S428-I430 PolarHBondContact O-N 2.95Å; I430-D433 PolarHBondContact O-N 3.11Å; I430-A434 WeakPolarHBondContact O-CB 3.33Å; I430-A434 PolarHBondContact O-N 3.45Å
431Y92.1Very high89.2Confident58 Ų5859.7 Ų59.723%0.22729%0.289CS..Hα-helixtrans-63.1-44.3175.3-169.4-76.7000111.5C421 N424 D425 P426 S428 A434 L435C421-Y431 HydrophobicContact CB-CD2 3.91Å; C421-Y431 HydrophobicContact CB-CE2 3.65Å; C421-Y431 VanDerWaalsContact O-CE2 3.22Å; C421-Y431 WeakPolarHBondContact O-CE2 3.31Å; N424-Y431 WeakPolarHBondContact O-CD2 3.27Å; D425-Y431 VanDerWaalsContact O-CB 3.23Å; D425-Y431 WeakPolarHBondContact O-CB 3.42Å; P426-Y431 HydrophobicContact CB-CD1 4.46Å; P426-Y431 HydrophobicContact CB-CE1 4.21Å; P426-Y431 HydrophobicContact CB-CE2 4.33Å; P426-Y431 HydrophobicContact CG-CE2 4.19Å; P426-Y431 WeakPolarHBondContact O-CD1 3.14Å; S428-Y431 PolarHBondContact O-N 3.1Å; S428-Y431 VanDerWaalsContact OG-CB 3.3Å; S428-Y431 WeakPolarHBondContact OG-CB 3.17Å; S428-Y431 PolarHBondContact OG-N 3.26Å; Y431-A434 PolarHBondContact O-N 2.88Å; Y431-L435 HydrophobicContact CD1-CD1 3.94Å; Y431-L435 HydrophobicContact CD1-CG 4.22Å; Y431-L435 HydrophobicContact CE1-CD1 3.56Å; Y431-L435 HydrophobicContact CE1-CG 4.06Å; Y431-L435 PolarHBondContact O-N 2.62Å
432K89.9Confident89Confident88 Ų8863.4 Ų63.438%0.38331%0.307SS..Hα-helixtrans-65.4-39178-71.2165.2179.5165.70112.5E427 S428 Q429 M436E427-K432 WeakPolarHBondContact O-CE 3.49Å; E427-K432 PolarHBondContact O-NZ 3.03Å; E427-K432 IonicContact OE2-NZ 2.72Å; E427-K432 PolarHBondContact OE2-NZ 3.45Å; S428-K432 WeakPolarHBondContact O-CG 3.41Å; S428-K432 PolarHBondContact O-N 3.1Å; S428-K432 VanDerWaalsContact O-N 3.16Å; Q429-K432 PolarHBondContact O-N 3.32Å; K432-M436 PolarHBondContact O-N 2.8Å; K432-M436 VanDerWaalsContact O-N 3.17Å
433D92.5Very high88.5Confident9 Ų960.7 Ų60.75%0.04830%0.298CS..Hα-helixtrans-68.4-41.6174.8-68.6-18.9000111.5R363 L365 F369 Q429 I430 M436 L437R363-D433 IonicContact CZ-OD1 3.63Å; R363-D433 IonicContact CZ-OD2 3.6Å; R363-D433 IonicContact NH1-OD1 2.68Å; R363-D433 PolarHBondContact NH1-OD1 3.18Å; R363-D433 IonicContact NH1-OD2 2.57Å; R363-D433 PolarHBondContact NH1-OD2 3.42Å; R363-D433 IonicContact NH2-OD1 3.62Å; R363-D433 PolarHBondContact NH2-OD1 3.01Å; R363-D433 IonicContact NH2-OD2 2.67Å; L365-D433 HydrophobicContact CB-CB 4.45Å; L365-D433 HydrophobicContact CD2-CB 4.27Å; L365-D433 HydrophobicContact CG-CB 4.14Å; F369-D433 HydrophobicContact CE2-CB 4.3Å; Q429-D433 PolarHBondContact NE2-OD1 3.04Å; Q429-D433 WeakPolarHBondContact O-CB 3.19Å; Q429-D433 PolarHBondContact O-N 3.47Å; I430-D433 PolarHBondContact O-N 3.11Å; D433-M436 PolarHBondContact O-N 3.34Å; D433-L437 WeakPolarHBondContact O-CG 3.46Å; D433-L437 PolarHBondContact O-N 3.39Å
434A92.4Very high88.3Confident0 Ų058.7 Ų58.70%029%0.291CS..Hα-helixtrans-58.9-49176.100000111.7F369 F417 A420 I430 Y431 M436 L437 Q438F369-A434 HydrophobicContact CE1-CB 4.14Å; F369-A434 HydrophobicContact CZ-CB 3.85Å; F417-A434 HydrophobicContact CB-CB 4.21Å; F417-A434 HydrophobicContact CD1-CB 4.12Å; A420-A434 HydrophobicContact CB-CB 4.2Å; I430-A434 WeakPolarHBondContact O-CB 3.33Å; I430-A434 PolarHBondContact O-N 3.45Å; Y431-A434 PolarHBondContact O-N 2.88Å; A434-M436 VanDerWaalsContact C-N 3.31Å; A434-M436 PolarHBondContact O-N 3.05Å; A434-L437 PolarHBondContact O-N 3.01Å; A434-Q438 VanDerWaalsContact O-CB 3.27Å; A434-Q438 WeakPolarHBondContact O-CB 3.48Å; A434-Q438 PolarHBondContact O-N 2.88Å
435L86.8Confident88.3Confident81 Ų8158.7 Ų58.742%0.42429%0.289SS..Hα-helixtrans-61.4-37.1175.8-71.1-175.6000112.9Y431 R439Y431-L435 HydrophobicContact CD1-CD1 3.94Å; Y431-L435 HydrophobicContact CD1-CG 4.22Å; Y431-L435 HydrophobicContact CE1-CD1 3.56Å; Y431-L435 HydrophobicContact CE1-CG 4.06Å; Y431-L435 PolarHBondContact O-N 2.62Å; L435-R439 PolarHBondContact O-N 3.07Å; L435-R439 VanDerWaalsContact O-N 3.09Å
436M87.7Confident87.8Confident88 Ų8856.3 Ų56.343%0.43328%0.28SS..Hα-helixtrans-67.1-46.1177.5-171.364.572.600111.5L365 K432 D433 A434 R439 L440L365-M436 HydrophobicContact CD2-CB 3.95Å; L365-M436 HydrophobicContact CD2-CG 3.87Å; K432-M436 PolarHBondContact O-N 2.8Å; K432-M436 VanDerWaalsContact O-N 3.17Å; D433-M436 PolarHBondContact O-N 3.34Å; A434-M436 VanDerWaalsContact C-N 3.31Å; A434-M436 PolarHBondContact O-N 3.05Å; M436-R439 WeakPolarHBondContact O-CB 3.45Å; M436-R439 PolarHBondContact O-N 3.1Å; M436-L440 HydrophobicContact CG-CD1 4.4Å; M436-L440 WeakPolarHBondContact O-CG 3.38Å; M436-L440 PolarHBondContact O-N 3.36Å; M436-L440 VanDerWaalsContact O-N 3.1Å
437L92.6Very high87.7Confident0 Ų056.7 Ų56.70%028%0.276CS..Hα-helixtrans-69.5-35.4177.9-66.2171.5000112.2I354 F357 L365 F369 F417 D433 A434 R439 L440 L441I354-L437 HydrophobicContact CG2-CD2 4.3Å; F357-L437 HydrophobicContact CB-CD2 4.1Å; F357-L437 HydrophobicContact CD1-CD2 4.21Å; F357-L437 HydrophobicContact CG-CD2 4.44Å; L365-L437 HydrophobicContact CB-CD1 3.97Å; L365-L437 HydrophobicContact CB-CD2 3.94Å; L365-L437 HydrophobicContact CB-CG 4.02Å; L365-L437 HydrophobicContact CD2-CG 4.44Å; F369-L437 HydrophobicContact CD2-CD1 3.99Å; F369-L437 HydrophobicContact CE2-CD1 3.78Å; F417-L437 HydrophobicContact CD1-CB 4.4Å; F417-L437 HydrophobicContact CE1-CB 3.57Å; F417-L437 HydrophobicContact CE1-CD1 3.75Å; F417-L437 HydrophobicContact CE1-CG 4.34Å; F417-L437 HydrophobicContact CE2-CB 3.85Å; F417-L437 HydrophobicContact CZ-CB 3.27Å; F417-L437 HydrophobicContact CZ-CD1 4.06Å; F417-L437 HydrophobicContact CZ-CG 4.29Å; D433-L437 WeakPolarHBondContact O-CG 3.46Å; D433-L437 PolarHBondContact O-N 3.39Å; A434-L437 PolarHBondContact O-N 3.01Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 3.08Å; L437-L440 HydrophobicContact CD2-CD1 4.11Å; L437-L440 WeakPolarHBondContact O-CB 3.36Å; L437-L440 PolarHBondContact O-N 3.06Å; L437-L440 VanDerWaalsContact O-N 3.15Å; L437-L441 WeakPolarHBondContact O-CB 3.42Å; L437-L441 PolarHBondContact O-N 3.46Å
438Q90.3Very high87.7Confident47 Ų4750.5 Ų50.522%0.2225%0.247CC..Hα-helixtrans-62.6-38.1173.2-166.4177.549.800111.3F417 D418 A434 L441 L442F417-Q438 HydrophobicContact CB-CB 4.31Å; F417-Q438 HydrophobicContact CD2-CB 3.69Å; F417-Q438 HydrophobicContact CD2-CG 4.16Å; F417-Q438 HydrophobicContact CE2-CB 4.38Å; F417-Q438 HydrophobicContact CG-CB 4.23Å; D418-Q438 PolarHBondContact OD1-NE2 3.16Å; A434-Q438 VanDerWaalsContact O-CB 3.27Å; A434-Q438 WeakPolarHBondContact O-CB 3.48Å; A434-Q438 PolarHBondContact O-N 2.88Å; Q438-L441 WeakPolarHBondContact O-CB 3.4Å; Q438-L441 PolarHBondContact O-N 3.48Å; Q438-L442 WeakPolarHBondContact O-CG 3.29Å; Q438-L442 PolarHBondContact O-N 2.68Å
439R81.7Confident86.6Confident92 Ų9250.2 Ų50.235%0.34724%0.242SC..Hα-helixtrans-63.4-42.8171.2-174.3-175.4179.5-170.2-3.2112L435 M436 L437 L442 L443L435-R439 PolarHBondContact O-N 3.07Å; L435-R439 VanDerWaalsContact O-N 3.09Å; M436-R439 WeakPolarHBondContact O-CB 3.45Å; M436-R439 PolarHBondContact O-N 3.1Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 3.08Å; R439-L442 PolarHBondContact O-N 3.48Å; R439-L443 HydrophobicContact CG-CD1 4.24Å; R439-L443 WeakPolarHBondContact O-CG 3.21Å; R439-L443 PolarHBondContact O-N 2.9Å; R439-L443 VanDerWaalsContact O-N 3.14Å
440L89.3Confident85Confident23 Ų2346 Ų4612%0.1223%0.226CC..Hα-helixtrans-65.5-38.6178-72.1158.7000112.2I354 F357 M436 L437 L442 L443 K444I354-L440 HydrophobicContact CD1-CB 3.86Å; F357-L440 HydrophobicContact CB-CD1 4.26Å; F357-L440 HydrophobicContact CD1-CD1 3.5Å; F357-L440 HydrophobicContact CD2-CD1 3.48Å; F357-L440 VanDerWaalsContact CD2-CD1 3.48Å; F357-L440 HydrophobicContact CD2-CD2 3.99Å; F357-L440 HydrophobicContact CD2-CG 4.38Å; F357-L440 HydrophobicContact CE1-CD1 3.63Å; F357-L440 HydrophobicContact CE2-CD1 3.59Å; F357-L440 HydrophobicContact CE2-CD2 3.77Å; F357-L440 HydrophobicContact CE2-CG 4.34Å; F357-L440 HydrophobicContact CG-CD1 3.44Å; F357-L440 VanDerWaalsContact CG-CD1 3.44Å; F357-L440 HydrophobicContact CZ-CD1 3.67Å; F357-L440 HydrophobicContact CZ-CD2 4.37Å; M436-L440 HydrophobicContact CG-CD1 4.4Å; M436-L440 WeakPolarHBondContact O-CG 3.38Å; M436-L440 PolarHBondContact O-N 3.36Å; M436-L440 VanDerWaalsContact O-N 3.1Å; L437-L440 HydrophobicContact CD2-CD1 4.11Å; L437-L440 WeakPolarHBondContact O-CB 3.36Å; L437-L440 PolarHBondContact O-N 3.06Å; L437-L440 VanDerWaalsContact O-N 3.15Å; L440-L442 PolarHBondContact O-N 2.97Å; L440-L443 PolarHBondContact O-N 2.99Å; L440-K444 WeakPolarHBondContact O-CB 3.45Å; L440-K444 PolarHBondContact O-N 3.46Å
441L90.5Very high82.9Confident1 Ų149.7 Ų49.71%0.00525%0.246CC..Hα-helixtrans-55.6-50175.1178.570.9000111L350 I354 V410 I413 A414 F417 L437 Q438 K445L350-L441 HydrophobicContact CD1-CD1 4.05Å; L350-L441 HydrophobicContact CD2-CD1 3.92Å; L350-L441 HydrophobicContact CG-CD1 4.05Å; I354-L441 HydrophobicContact CD1-CB 4.02Å; I354-L441 HydrophobicContact CG1-CD1 4.29Å; V410-L441 HydrophobicContact CG1-CD2 4.12Å; V410-L441 HydrophobicContact CG1-CG 4.4Å; V410-L441 HydrophobicContact CG2-CD1 4.25Å; I413-L441 HydrophobicContact CB-CD1 4Å; I413-L441 HydrophobicContact CB-CD2 3.99Å; I413-L441 HydrophobicContact CD1-CD1 3.76Å; I413-L441 HydrophobicContact CG1-CD1 4.49Å; I413-L441 HydrophobicContact CG2-CD1 3.87Å; I413-L441 HydrophobicContact CG2-CD2 3.84Å; I413-L441 HydrophobicContact CG2-CG 4.4Å; A414-L441 HydrophobicContact CB-CD2 4.35Å; F417-L441 HydrophobicContact CE2-CD2 4.41Å; L437-L441 WeakPolarHBondContact O-CB 3.42Å; L437-L441 PolarHBondContact O-N 3.46Å; Q438-L441 WeakPolarHBondContact O-CB 3.4Å; Q438-L441 PolarHBondContact O-N 3.48Å; L441-K445 WeakPolarHBondContact O-CB 3.35Å; L441-K445 PolarHBondContact O-N 3.38Å
442L85.7Confident80.5Confident102 Ų10252.7 Ų52.753%0.53426%0.262SS..Hα-helixtrans-66.8-38.1179.7-63.6176.3000112.4Q438 R439 L440 S446Q438-L442 WeakPolarHBondContact O-CG 3.29Å; Q438-L442 PolarHBondContact O-N 2.68Å; R439-L442 PolarHBondContact O-N 3.48Å; L440-L442 PolarHBondContact O-N 2.97Å; L442-S446 WeakPolarHBondContact O-CB 3.21Å; L442-S446 PolarHBondContact O-N 3.22Å; L442-S446 VanDerWaalsContact O-N 3.12Å
443L80.3Confident78Confident76 Ų7651.5 Ų51.540%0.39826%0.264SS..Hα-helixtrans-64-50.3175.5-72.1169.7000111.7R439 L440 S446 E447 I1075R439-L443 HydrophobicContact CG-CD1 4.24Å; R439-L443 WeakPolarHBondContact O-CG 3.21Å; R439-L443 PolarHBondContact O-N 2.9Å; R439-L443 VanDerWaalsContact O-N 3.14Å; L440-L443 PolarHBondContact O-N 2.99Å; L443-S446 WeakPolarHBondContact O-CB 3.5Å; L443-S446 PolarHBondContact O-N 3.07Å; L443-E447 PolarHBondContact O-N 3.14Å; L443-I1075 HydrophobicContact CD2-CD1 4.46Å
444K88.7Confident75.8Confident24 Ų2456.5 Ų56.510%0.10429%0.285CS..Hα-helixtrans-72.1-33.5-178-17367.1-179179.20112.6L350 H353 L440 S446 E447 L448L350-K444 HydrophobicContact CD1-CB 3.68Å; L350-K444 HydrophobicContact CD1-CG 3.66Å; H353-K444 HydrophobicContact CB-CD 4.22Å; H353-K444 HydrophobicContact CB-CG 3.92Å; H353-K444 VanDerWaalsContact CD2-CB 3.43Å; H353-K444 WeakPolarHBondContact CD2-CB 3.49Å; L440-K444 WeakPolarHBondContact O-CB 3.45Å; L440-K444 PolarHBondContact O-N 3.46Å; K444-S446 VanDerWaalsContact C-N 3.31Å; K444-S446 PolarHBondContact O-N 2.87Å; K444-E447 HydrophobicContact CD-CB 4.48Å; K444-E447 IonicContact NZ-OE1 3.61Å; K444-E447 PolarHBondContact NZ-OE1 3.13Å; K444-E447 WeakPolarHBondContact O-CB 3.44Å; K444-E447 PolarHBondContact O-N 3.41Å; K444-L448 HydrophobicContact CD-CD1 4.48Å; K444-L448 HydrophobicContact CD-CG 4.42Å; K444-L448 HydrophobicContact CG-CD1 3.97Å; K444-L448 HydrophobicContact CG-CG 4.35Å; K444-L448 WeakPolarHBondContact O-CB 3.31Å; K444-L448 WeakPolarHBondContact O-CG 3.46Å; K444-L448 PolarHBondContact O-N 3.35Å
445K89.1Confident73.6Confident40 Ų4062.8 Ų62.817%0.17432%0.323CS..Hα-helixtrans-55.7-48167.8-179.1-166.1-172.7174.50110.8L406 D407 V410 L441 E447 L448 Q449L406-K445 HydrophobicContact CD2-CG 4.08Å; D407-K445 WeakPolarHBondContact OD1-CE 3.47Å; D407-K445 IonicContact OD1-NZ 2.76Å; D407-K445 PolarHBondContact OD1-NZ 3.32Å; V410-K445 HydrophobicContact CB-CD 4.44Å; V410-K445 HydrophobicContact CG1-CD 4.13Å; V410-K445 HydrophobicContact CG2-CB 4.24Å; V410-K445 HydrophobicContact CG2-CD 3.73Å; V410-K445 HydrophobicContact CG2-CG 3.92Å; L441-K445 WeakPolarHBondContact O-CB 3.35Å; L441-K445 PolarHBondContact O-N 3.38Å; K445-E447 VanDerWaalsContact C-N 3.32Å; K445-E447 PolarHBondContact O-N 3.31Å; K445-L448 PolarHBondContact O-N 2.67Å; K445-Q449 WeakPolarHBondContact O-CB 3.39Å; K445-Q449 WeakPolarHBondContact O-CG 3.5Å; K445-Q449 PolarHBondContact O-N 2.76Å
446S75Confident72.2Confident52 Ų5262 Ų6236%0.36432%0.318SS..Hα-helixtrans-62.2-39.8179.2-1640000112.1L442 L443 K444 A450L442-S446 WeakPolarHBondContact O-CB 3.21Å; L442-S446 PolarHBondContact O-N 3.22Å; L442-S446 VanDerWaalsContact O-N 3.12Å; L443-S446 WeakPolarHBondContact O-CB 3.5Å; L443-S446 PolarHBondContact O-N 3.07Å; K444-S446 VanDerWaalsContact C-N 3.31Å; K444-S446 PolarHBondContact O-N 2.87Å; S446-A450 PolarHBondContact O-N 2.93Å
447E80Confident71.3Confident80 Ų8062.2 Ų62.237%0.37432%0.321SS..Hα-helixtrans-63-48.7174.1-170.9-172.5122.900112.5L443 K444 K445 Q449 A450L443-E447 PolarHBondContact O-N 3.14Å; K444-E447 HydrophobicContact CD-CB 4.48Å; K444-E447 IonicContact NZ-OE1 3.61Å; K444-E447 PolarHBondContact NZ-OE1 3.13Å; K444-E447 WeakPolarHBondContact O-CB 3.44Å; K444-E447 PolarHBondContact O-N 3.41Å; K445-E447 VanDerWaalsContact C-N 3.32Å; K445-E447 PolarHBondContact O-N 3.31Å; E447-Q449 VanDerWaalsContact C-N 3.3Å; E447-Q449 PolarHBondContact O-N 3.36Å; E447-A450 WeakPolarHBondContact O-CB 3.34Å; E447-A450 PolarHBondContact O-N 3.07Å; E447-A450 VanDerWaalsContact O-N 3.11Å
448L81.4Confident70.4Confident11 Ų1163.2 Ų63.26%0.05833%0.327CS..Hα-helixtrans-71.6-22.3-177.3-68.4168.9000113.8K346 Q349 L350 L406 K444 K445K346-L448 WeakPolarHBondContact CE-O 3.41Å; K346-L448 HydrophobicContact CG-CD2 4.39Å; K346-L448 WeakPolarHBondContact O-CD1 3.32Å; Q349-L448 HydrophobicContact CB-CD1 4.19Å; Q349-L448 HydrophobicContact CB-CD2 3.87Å; L350-L448 HydrophobicContact CB-CD1 3.65Å; L350-L448 HydrophobicContact CD1-CD1 4.18Å; L350-L448 HydrophobicContact CG-CD1 4.45Å; L406-L448 HydrophobicContact CD2-CB 4.02Å; K444-L448 HydrophobicContact CD-CD1 4.48Å; K444-L448 HydrophobicContact CD-CG 4.42Å; K444-L448 HydrophobicContact CG-CD1 3.97Å; K444-L448 HydrophobicContact CG-CG 4.35Å; K444-L448 WeakPolarHBondContact O-CB 3.31Å; K444-L448 WeakPolarHBondContact O-CG 3.46Å; K444-L448 PolarHBondContact O-N 3.35Å; K445-L448 PolarHBondContact O-N 2.67Å
449Q70.4Confident69.8Low25 Ų2562 Ų6212%0.11732%0.321CS..THydrogen-bonded Turntrans-89.91.5171.8-64.9-179.1-35.300113.3L406 D407 K445 E447 D451 E452 K454L406-Q449 HydrophobicContact CD2-CG 3.75Å; D407-Q449 PolarHBondContact OD2-NE2 3.44Å; K445-Q449 WeakPolarHBondContact O-CB 3.39Å; K445-Q449 WeakPolarHBondContact O-CG 3.5Å; K445-Q449 PolarHBondContact O-N 2.76Å; E447-Q449 VanDerWaalsContact C-N 3.3Å; E447-Q449 PolarHBondContact O-N 3.36Å; Q449-D451 VanDerWaalsContact C-N 3.28Å; Q449-D451 PolarHBondContact O-N 2.84Å; Q449-E452 PolarHBondContact O-N 3.16Å; Q449-K454 VanDerWaalsContact CB-CE 3.49Å
450A57.3Low69.6Low18 Ų1861.4 Ų61.415%0.14932%0.323CS..THydrogen-bonded Turntrans-72-21.6-178.800000113.5S446 E447 E452 C1067 F1068S446-A450 PolarHBondContact O-N 2.93Å; E447-A450 WeakPolarHBondContact O-CB 3.34Å; E447-A450 PolarHBondContact O-N 3.07Å; E447-A450 VanDerWaalsContact O-N 3.11Å; A450-E452 VanDerWaalsContact C-N 3.35Å; A450-C1067 HydrophobicContact CB-CB 4.42Å; A450-F1068 HydrophobicContact CB-CD2 3.88Å; A450-F1068 HydrophobicContact CB-CE2 3.93Å
451D48.3Very low69.1Low128 Ų12863.3 Ų63.368%0.68433%0.328SS*.THydrogen-bonded Turntrans-82.4-6.7174.9-72.7-36.3000113.9Q449Q449-D451 VanDerWaalsContact C-N 3.28Å; Q449-D451 PolarHBondContact O-N 2.84Å
452E40.8Very low68.9Low121 Ų12163.3 Ų63.357%0.56533%0.328SS*.SBendtrans-93.9131.9169.1-71.1-167.9152.500110.2Q449 A450 K454Q449-E452 PolarHBondContact O-N 3.16Å; A450-E452 VanDerWaalsContact C-N 3.35Å; E452-K454 VanDerWaalsContact C-N 3.29Å; E452-K454 PolarHBondContact O-N 3.11Å
453P36.7Very low68.6Low64 Ų6462.3 Ų62.342%0.41632%0.321SS..  trans-70.486.1176.829.6-34000110.1V455P453-V455 PolarHBondContact O-N 3.22Å
454K46.2Very low68.6Low113 Ų11362.2 Ų62.249%0.49132%0.319SS..  trans-61.6110.9178.9-75.5-176.8176.2177.70111.1Q449 E452 I456Q449-K454 VanDerWaalsContact CB-CE 3.49Å; E452-K454 VanDerWaalsContact C-N 3.29Å; E452-K454 PolarHBondContact O-N 3.11Å; K454-I456 PolarHBondContact O-N 3.36Å
455V47.4Very low68.3Low132 Ų13261.2 Ų61.280%0.831%0.314SS*.  trans-59.3117.2158.7-179.20000107.3P453 D457P453-V455 PolarHBondContact O-N 3.22Å; V455-D457 PolarHBondContact O-N 3.36Å
456I57.9Low67.7Low65 Ų6560.5 Ų60.533%0.33331%0.313SS..  trans-60.2121.4176.7-66.4127000108.7K454 V458 F567K454-I456 PolarHBondContact O-N 3.36Å; I456-V458 VanDerWaalsContact C-N 3.3Å; I456-V458 HydrophobicContact CG2-CG2 4.24Å; I456-V458 PolarHBondContact O-N 3.42Å; I456-F567 HydrophobicContact CD1-CB 3.57Å; I456-F567 HydrophobicContact CG1-CB 4Å; I456-F567 HydrophobicContact CG2-CB 4.12Å; I456-F567 HydrophobicContact CG2-CD1 3.81Å; I456-F567 HydrophobicContact CG2-CD2 4.42Å; I456-F567 HydrophobicContact CG2-CE1 4.25Å; I456-F567 HydrophobicContact CG2-CG 3.89Å
457D67.9Low67.6Low93 Ų9361.7 Ų61.750%0.49732%0.318SS..  trans-74.286.4175.1-173-0.8000110.4V455 Q459 H460 W461V455-D457 PolarHBondContact O-N 3.36Å; D457-Q459 PolarHBondContact O-N 2.9Å; D457-Q459 WeakPolarHBondContact OD1-CA 3.45Å; D457-Q459 VanDerWaalsContact OD1-CB 3.25Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.39Å; D457-Q459 PolarHBondContact OD1-N 3.44Å; D457-H460 HydrophobicContact CB-CB 4.17Å; D457-H460 PolarHBondContact O-N 3.45Å; D457-H460 PolarHBondContact OD1-N 3.42Å; D457-W461 PolarHBondContact O-N 2.94Å
458V73.1Confident67.1Low20 Ų2060 Ų6012%0.12132%0.315CS..Hα-helixtrans-62.1-22.6176.4-176.90000111.7I456 V462 R513I456-V458 VanDerWaalsContact C-N 3.3Å; I456-V458 HydrophobicContact CG2-CG2 4.24Å; I456-V458 PolarHBondContact O-N 3.42Å; V458-V462 HydrophobicContact CG1-CG2 4.01Å; V458-V462 WeakPolarHBondContact O-CB 3.45Å; V458-V462 WeakPolarHBondContact O-CG2 3.43Å; V458-V462 PolarHBondContact O-N 2.69Å; V458-R513 WeakPolarHBondContact CG2-O 3.41Å
459Q77.6Confident66.5Low21 Ų2159.4 Ų59.410%0.09831%0.312CS..Hα-helixtrans-67.4-47.3174.9-56.2-56.3-40.400110.8D457 W461 V462 Q463 K510 Y512D457-Q459 PolarHBondContact O-N 2.9Å; D457-Q459 WeakPolarHBondContact OD1-CA 3.45Å; D457-Q459 VanDerWaalsContact OD1-CB 3.25Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.39Å; D457-Q459 PolarHBondContact OD1-N 3.44Å; Q459-W461 PolarHBondContact O-N 2.81Å; Q459-V462 PolarHBondContact O-N 3.19Å; Q459-Q463 WeakPolarHBondContact O-CB 3.42Å; Q459-Q463 WeakPolarHBondContact O-CG 3.29Å; Q459-Q463 PolarHBondContact O-N 2.61Å; Q459-K510 HydrophobicContact CG-CB 4.16Å; Q459-K510 HydrophobicContact CG-CD 4.37Å; Q459-K510 HydrophobicContact CG-CG 4.28Å; Q459-K510 PolarHBondContact NE2-O 2.73Å; Q459-K510 VanDerWaalsContact OE1-CA 3.24Å; Q459-Y512 PolarHBondContact NE2-O 3.39Å
460H78.6Confident66.2Low81 Ų8159.8 Ų59.838%0.37531%0.313SS..Hα-helixtrans-57.7-49.3174.9174.353000110.9D457 V462 Q463 E464D457-H460 HydrophobicContact CB-CB 4.17Å; D457-H460 PolarHBondContact O-N 3.45Å; D457-H460 PolarHBondContact OD1-N 3.42Å; H460-V462 VanDerWaalsContact C-N 3.34Å; H460-V462 PolarHBondContact O-N 2.84Å; H460-Q463 PolarHBondContact O-N 3Å; H460-Q463 VanDerWaalsContact O-N 3.12Å; H460-E464 WeakPolarHBondContact CE1-CG 3.47Å; H460-E464 IonicContact CE1-OE1 2.81Å; H460-E464 PolarHBondContact CE1-OE1 2.96Å; H460-E464 VanDerWaalsContact CE1-OE1 3.25Å; H460-E464 IonicContact ND1-OE1 2.69Å; H460-E464 WeakPolarHBondContact O-CG 3.4Å; H460-E464 PolarHBondContact O-N 2.8Å
461W79.1Confident66.1Low63 Ų6362.8 Ų62.824%0.23933%0.327CS..Hα-helixtrans-63.8-34.9178.7-66110.9000113.9D457 Q459 M465 L560 V566 F567D457-W461 PolarHBondContact O-N 2.94Å; Q459-W461 PolarHBondContact O-N 2.81Å; W461-M465 VanDerWaalsContact O-CB 3.26Å; W461-M465 WeakPolarHBondContact O-CB 3.41Å; W461-M465 VanDerWaalsContact O-CG 3.3Å; W461-M465 WeakPolarHBondContact O-CG 3.42Å; W461-M465 PolarHBondContact O-N 2.95Å; W461-L560 HydrophobicContact CE3-CB 4.07Å; W461-L560 HydrophobicContact CE3-CD2 4.38Å; W461-L560 HydrophobicContact CZ3-CB 4.14Å; W461-L560 HydrophobicContact CZ3-CD2 4.03Å; W461-V566 HydrophobicContact CH2-CG1 4.21Å; W461-V566 HydrophobicContact CZ2-CG1 3.74Å; W461-F567 HydrophobicContact CB-CE1 4.06Å; W461-F567 HydrophobicContact CB-CZ 4.06Å; W461-F567 AromaticContact CD1-CE1 3.64Å; W461-F567 AromaticContact CD2-CE1 3.97Å; W461-F567 HydrophobicContact CD2-CE1 3.97Å; W461-F567 AromaticContact CG-CE1 3.61Å; W461-F567 HydrophobicContact CG-CE1 3.61Å; W461-F567 HydrophobicContact CG-CZ 4.1Å
462V84.5Confident66.2Low1 Ų158.1 Ų58.11%0.00630%0.302CS..Hα-helixtrans-68.3-40173.2167.60000110.8V458 Q459 H460 M465 V466 I507 Y512 F518V458-V462 HydrophobicContact CG1-CG2 4.01Å; V458-V462 WeakPolarHBondContact O-CB 3.45Å; V458-V462 WeakPolarHBondContact O-CG2 3.43Å; V458-V462 PolarHBondContact O-N 2.69Å; Q459-V462 PolarHBondContact O-N 3.19Å; H460-V462 VanDerWaalsContact C-N 3.34Å; H460-V462 PolarHBondContact O-N 2.84Å; V462-M465 PolarHBondContact O-N 3.25Å; V462-V466 HydrophobicContact CG1-CG2 4.33Å; V462-V466 VanDerWaalsContact O-CB 3.31Å; V462-V466 WeakPolarHBondContact O-CB 2.95Å; V462-V466 WeakPolarHBondContact O-CG2 3.48Å; V462-V466 PolarHBondContact O-N 3.46Å; V462-I507 HydrophobicContact CG1-CG1 3.92Å; V462-Y512 HydrophobicContact CG1-CD2 4.25Å; V462-F518 HydrophobicContact CB-CD1 4.48Å; V462-F518 HydrophobicContact CG1-CD1 4.05Å; V462-F518 HydrophobicContact CG1-CD2 3.91Å; V462-F518 HydrophobicContact CG1-CE1 4.19Å; V462-F518 HydrophobicContact CG1-CE2 4.07Å; V462-F518 HydrophobicContact CG1-CG 3.91Å; V462-F518 HydrophobicContact CG1-CZ 4.22Å; V462-F518 HydrophobicContact CG2-CB 4.06Å; V462-F518 HydrophobicContact CG2-CD1 3.95Å; V462-F518 HydrophobicContact CG2-CG 4.02Å
463Q80.4Confident66.6Low80 Ų8059.8 Ų59.837%0.37431%0.309SS..Hα-helixtrans-66-42.2175.2-74.2177.6-22.500112.6Q459 H460 V466 T467 I507Q459-Q463 WeakPolarHBondContact O-CB 3.42Å; Q459-Q463 WeakPolarHBondContact O-CG 3.29Å; Q459-Q463 PolarHBondContact O-N 2.61Å; H460-Q463 PolarHBondContact O-N 3Å; H460-Q463 VanDerWaalsContact O-N 3.12Å; Q463-V466 PolarHBondContact O-N 2.93Å; Q463-T467 WeakPolarHBondContact O-CB 3.25Å; Q463-T467 PolarHBondContact O-N 3.46Å; Q463-T467 PolarHBondContact O-OG1 3.15Å; Q463-I507 HydrophobicContact CG-CG2 3.73Å
464E79.8Confident67.1Low75 Ų7559.9 Ų59.935%0.3531%0.306SS..Hα-helixtrans-63.3-43.8173.6-72.3-61.2143.100111.5H460 T467 S468 L560H460-E464 WeakPolarHBondContact CE1-CG 3.47Å; H460-E464 IonicContact CE1-OE1 2.81Å; H460-E464 PolarHBondContact CE1-OE1 2.96Å; H460-E464 VanDerWaalsContact CE1-OE1 3.25Å; H460-E464 IonicContact ND1-OE1 2.69Å; H460-E464 WeakPolarHBondContact O-CG 3.4Å; H460-E464 PolarHBondContact O-N 2.8Å; E464-T467 PolarHBondContact O-N 3.38Å; E464-S468 WeakPolarHBondContact O-CB 3.39Å; E464-S468 PolarHBondContact O-N 3.18Å; E464-S468 PolarHBondContact O-OG 3.21Å; E464-L560 HydrophobicContact CB-CD1 4.27Å
465M82.2Confident67Low2 Ų256.9 Ų56.91%0.0131%0.308CS..Hα-helixtrans-59.3-50.3173.9-86.3-172.269.700111.6W461 V462 T467 S468 I469 L515 F518 F553 R557 L560W461-M465 VanDerWaalsContact O-CB 3.26Å; W461-M465 WeakPolarHBondContact O-CB 3.41Å; W461-M465 VanDerWaalsContact O-CG 3.3Å; W461-M465 WeakPolarHBondContact O-CG 3.42Å; W461-M465 PolarHBondContact O-N 2.95Å; V462-M465 PolarHBondContact O-N 3.25Å; M465-T467 PolarHBondContact O-N 3.1Å; M465-S468 CarbonylContact O-C 3.59Å; M465-S468 PolarHBondContact O-N 3.26Å; M465-I469 HydrophobicContact CB-CD1 4.1Å; M465-I469 HydrophobicContact CE-CD1 3.87Å; M465-I469 VanDerWaalsContact O-CB 3.26Å; M465-I469 WeakPolarHBondContact O-CB 3.38Å; M465-I469 WeakPolarHBondContact O-CD1 3.42Å; M465-I469 WeakPolarHBondContact O-CG1 3.48Å; M465-I469 PolarHBondContact O-N 3.1Å; M465-L515 HydrophobicContact CE-CD1 4.01Å; M465-L515 HydrophobicContact SD-CD1 3.36Å; M465-L515 WeakPolarHBondContact SD-CD1 3.18Å; M465-L515 HydrophobicContact SD-CD2 4.47Å; M465-F518 HydrophobicContact CB-CE1 4.15Å; M465-F518 HydrophobicContact CE-CD1 4.46Å; M465-F518 HydrophobicContact CE-CE1 4.09Å; M465-F518 HydrophobicContact SD-CE1 4.46Å; M465-F553 HydrophobicContact CE-CD1 4.38Å; M465-F553 HydrophobicContact CE-CD2 4.29Å; M465-F553 HydrophobicContact CE-CE1 3.89Å; M465-F553 HydrophobicContact CE-CE2 3.75Å; M465-F553 HydrophobicContact CE-CZ 3.53Å; M465-R557 HydrophobicContact CE-CB 3.49Å; M465-R557 VanDerWaalsContact CE-CB 3.49Å; M465-R557 HydrophobicContact CE-CG 3.87Å; M465-R557 HydrophobicContact SD-CB 4.2Å; M465-R557 HydrophobicContact SD-CG 4.21Å; M465-L560 HydrophobicContact CB-CD1 4.29Å; M465-L560 HydrophobicContact CG-CD1 3.49Å; M465-L560 VanDerWaalsContact CG-CD1 3.49Å
466V78Confident67Low25 Ų2556 Ų5615%0.15229%0.29CS..Hα-helixtrans-55.2-53.6176.4164.10000110V462 Q463 S468 I469 F470 I507 F518V462-V466 HydrophobicContact CG1-CG2 4.33Å; V462-V466 VanDerWaalsContact O-CB 3.31Å; V462-V466 WeakPolarHBondContact O-CB 2.95Å; V462-V466 WeakPolarHBondContact O-CG2 3.48Å; V462-V466 PolarHBondContact O-N 3.46Å; Q463-V466 PolarHBondContact O-N 2.93Å; V466-S468 VanDerWaalsContact C-N 3.26Å; V466-S468 PolarHBondContact O-N 3.31Å; V466-I469 PolarHBondContact O-N 2.89Å; V466-F470 HydrophobicContact CB-CD2 4.34Å; V466-F470 HydrophobicContact CB-CE2 4.38Å; V466-F470 HydrophobicContact CG1-CD2 3.66Å; V466-F470 HydrophobicContact CG1-CE2 3.83Å; V466-F470 WeakPolarHBondContact O-CD2 3.3Å; V466-F470 PolarHBondContact O-N 2.89Å; V466-I507 HydrophobicContact CB-CD1 4.38Å; V466-I507 HydrophobicContact CG1-CD1 4.2Å; V466-I507 HydrophobicContact CG2-CD1 3.37Å; V466-I507 HydrophobicContact CG2-CG1 4.33Å; V466-F518 HydrophobicContact CG2-CE1 4.34Å; V466-F518 HydrophobicContact CG2-CE2 3.95Å; V466-F518 HydrophobicContact CG2-CZ 3.48Å; V466-F518 VanDerWaalsContact CG2-CZ 3.48Å
467T71.1Confident66.8Low77 Ų7755.2 Ų55.247%0.47229%0.29SS..Hα-helixtrans-57.1-40.7178.6-53.20000111.7Q463 E464 M465 L471Q463-T467 WeakPolarHBondContact O-CB 3.25Å; Q463-T467 PolarHBondContact O-N 3.46Å; Q463-T467 PolarHBondContact O-OG1 3.15Å; E464-T467 PolarHBondContact O-N 3.38Å; M465-T467 PolarHBondContact O-N 3.1Å; T467-L471 HydrophobicContact CG2-CD1 4.32Å; T467-L471 VanDerWaalsContact O-CD1 3.32Å; T467-L471 WeakPolarHBondContact O-CD1 3.34Å; T467-L471 VanDerWaalsContact O-CG 3.26Å; T467-L471 WeakPolarHBondContact O-CG 3.44Å
468S70.2Confident66.2Low44 Ų4453.7 Ų53.731%0.30828%0.277SS..Hα-helixtrans-77.2-27.2-179.7-59.40000114.1E464 M465 V466 T556E464-S468 WeakPolarHBondContact O-CB 3.39Å; E464-S468 PolarHBondContact O-N 3.18Å; E464-S468 PolarHBondContact O-OG 3.21Å; M465-S468 CarbonylContact O-C 3.59Å; M465-S468 PolarHBondContact O-N 3.26Å; V466-S468 VanDerWaalsContact C-N 3.26Å; V466-S468 PolarHBondContact O-N 3.31Å; S468-T556 VanDerWaalsContact CB-CG2 3.41Å
469I68.8Low65.5Low0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-88.2-26.4-179.3-70.8156.2000111.6M465 V466 L471 Y478 M522 L549 F553 T556M465-I469 HydrophobicContact CB-CD1 4.1Å; M465-I469 HydrophobicContact CE-CD1 3.87Å; M465-I469 VanDerWaalsContact O-CB 3.26Å; M465-I469 WeakPolarHBondContact O-CB 3.38Å; M465-I469 WeakPolarHBondContact O-CD1 3.42Å; M465-I469 WeakPolarHBondContact O-CG1 3.48Å; M465-I469 PolarHBondContact O-N 3.1Å; V466-I469 PolarHBondContact O-N 2.89Å; I469-L471 VanDerWaalsContact C-N 3.27Å; I469-Y478 VanDerWaalsContact O-CD2 3.31Å; I469-Y478 WeakPolarHBondContact O-CD2 3.47Å; I469-M522 HydrophobicContact CG2-CE 4.36Å; I469-L549 HydrophobicContact CG2-CD1 3.96Å; I469-F553 HydrophobicContact CD1-CB 4.05Å; I469-F553 HydrophobicContact CD1-CD2 3.3Å; I469-F553 HydrophobicContact CD1-CE2 3.86Å; I469-F553 HydrophobicContact CD1-CG 3.87Å; I469-F553 HydrophobicContact CG1-CB 4.43Å; I469-F553 HydrophobicContact CG1-CD2 4.4Å; I469-T556 HydrophobicContact CD1-CG2 4.49Å; I469-T556 HydrophobicContact CG1-CG2 4.08Å
470F63.6Low64.4Low32 Ų3256.7 Ų56.714%0.1430%0.295CS..SBendtrans-90.719.3173.7-65.3-62.2000113.2V466 C477 A479 L500 M522V466-F470 HydrophobicContact CB-CD2 4.34Å; V466-F470 HydrophobicContact CB-CE2 4.38Å; V466-F470 HydrophobicContact CG1-CD2 3.66Å; V466-F470 HydrophobicContact CG1-CE2 3.83Å; V466-F470 WeakPolarHBondContact O-CD2 3.3Å; V466-F470 PolarHBondContact O-N 2.89Å; F470-C477 WeakPolarHBondContact O-CA 3.38Å; F470-A479 HydrophobicContact CD1-CB 4.02Å; F470-A479 HydrophobicContact CE1-CB 4.39Å; F470-L500 HydrophobicContact CE1-CD1 3.98Å; F470-L500 HydrophobicContact CE1-CD2 3.52Å; F470-L500 HydrophobicContact CE1-CG 4.45Å; F470-L500 HydrophobicContact CE2-CD2 4.43Å; F470-L500 HydrophobicContact CZ-CD2 3.31Å; F470-M522 HydrophobicContact CZ-CE 4.21Å
471L55Low63.3Low81 Ų8154.1 Ų54.142%0.42429%0.285SS..  trans-132.2125.5170.4-63.3173.1000108.5T467 I469 G475 R476T467-L471 HydrophobicContact CG2-CD1 4.32Å; T467-L471 VanDerWaalsContact O-CD1 3.32Å; T467-L471 WeakPolarHBondContact O-CD1 3.34Å; T467-L471 VanDerWaalsContact O-CG 3.26Å; T467-L471 WeakPolarHBondContact O-CG 3.44Å; I469-L471 VanDerWaalsContact C-N 3.27Å; L471-G475 WeakPolarHBondContact CD2-O 3.46Å; L471-R476 CarbonylContact C-O 3.53Å; L471-R476 VanDerWaalsContact CA-O 3.3Å; L471-R476 WeakPolarHBondContact CA-O 3.22Å
472D51.1Low62.5Low30 Ų3051.6 Ų51.616%0.1628%0.277CS..  trans-75.7178.7166.466.613.4000111.6D474 G475 R476 Y478D472-D474 PolarHBondContact O-N 3.47Å; D472-D474 VanDerWaalsContact OD1-C 3.28Å; D472-D474 WeakPolarHBondContact OD1-CA 3.25Å; D472-D474 PolarHBondContact OD1-N 2.81Å; D472-G475 PolarHBondContact O-N 2.97Å; D472-G475 PolarHBondContact OD1-N 3.43Å; D472-G475 VanDerWaalsContact OD1-N 3.07Å; D472-R476 PolarHBondContact N-O 2.77Å; D472-R476 WeakPolarHBondContact OD1-CB 3.13Å; D472-R476 PolarHBondContact OD1-N 2.91Å; D472-Y478 HydrophobicContact CB-CD2 4.27Å; D472-Y478 HydrophobicContact CB-CE1 4.25Å; D472-Y478 HydrophobicContact CB-CE2 3.53Å; D472-Y478 WeakPolarHBondContact CB-OH 3.35Å
473E50.2Low61.4Low156 Ų15656.2 Ų56.273%0.72930%0.295SS*.THydrogen-bonded Turntrans-56.6-18.5178-67-173.7168.400113.3K717E473-K717 IonicContact OE1-NZ 3.7Å; E473-K717 IonicContact OE2-NZ 2.78Å; E473-K717 PolarHBondContact OE2-NZ 2.95Å
474D47.2Very low60.3Low66 Ų6658.6 Ų58.635%0.35331%0.306SS..THydrogen-bonded Turntrans-106.510.7-179.1-61.1-73.4000112.5D472 V713D472-D474 PolarHBondContact O-N 3.47Å; D472-D474 VanDerWaalsContact OD1-C 3.28Å; D472-D474 WeakPolarHBondContact OD1-CA 3.25Å; D472-D474 PolarHBondContact OD1-N 2.81Å; D474-V713 HydrophobicContact CB-CB 4.07Å; D474-V713 HydrophobicContact CB-CG1 3.35Å; D474-V713 HydrophobicContact CB-CG2 4.39Å; D474-V713 WeakPolarHBondContact OD2-CG2 3.28Å
475G44.1Very low59.2Low50 Ų5055.8 Ų55.852%0.51529%0.292SS..SBendtrans77.925175.200000115.3L471 D472L471-G475 WeakPolarHBondContact CD2-O 3.46Å; D472-G475 PolarHBondContact O-N 2.97Å; D472-G475 PolarHBondContact OD1-N 3.43Å; D472-G475 VanDerWaalsContact OD1-N 3.07Å
476R47.4Very low58.1Low113 Ų11356.6 Ų56.643%0.42630%0.3SS..  trans-109.9153.6-176-53.1-164.5173-170.33.4114.5L471 D472 Y478 R712 V713L471-R476 CarbonylContact C-O 3.53Å; L471-R476 VanDerWaalsContact CA-O 3.3Å; L471-R476 WeakPolarHBondContact CA-O 3.22Å; D472-R476 PolarHBondContact N-O 2.77Å; D472-R476 WeakPolarHBondContact OD1-CB 3.13Å; D472-R476 PolarHBondContact OD1-N 2.91Å; R476-Y478 PolarHBondContact O-N 2.9Å; R476-R712 PolarHBondContact NH1-O 2.84Å; R476-V713 HydrophobicContact CG-CG1 4.18Å; R476-V713 VanDerWaalsContact NE-CG1 3.34Å
477C52.4Low57Low50 Ų5058.7 Ų58.734%0.33832%0.32SS..  trans-77.7113.8-172.1-146.20000112.7F470 A479F470-C477 WeakPolarHBondContact O-CA 3.38Å; C477-A479 HydrophobicContact CB-CB 4.39Å; C477-A479 PolarHBondContact O-N 3.23Å; C477-A479 VanDerWaalsContact O-N 3.13Å; C477-A479 WeakPolarHBondContact SG-CB 3.28Å
478Y55.2Low56.3Low60 Ų6057.9 Ų57.924%0.23532%0.321CS..THydrogen-bonded Turntrans-63.7-8.8163.8-73.3-71.2000113I469 D472 R476 D480 L549I469-Y478 VanDerWaalsContact O-CD2 3.31Å; I469-Y478 WeakPolarHBondContact O-CD2 3.47Å; D472-Y478 HydrophobicContact CB-CD2 4.27Å; D472-Y478 HydrophobicContact CB-CE1 4.25Å; D472-Y478 HydrophobicContact CB-CE2 3.53Å; D472-Y478 WeakPolarHBondContact CB-OH 3.35Å; R476-Y478 PolarHBondContact O-N 2.9Å; Y478-D480 VanDerWaalsContact C-N 3.31Å; Y478-D480 PolarHBondContact O-N 3.19Å; Y478-L549 HydrophobicContact CD1-CD1 4.24Å; Y478-L549 HydrophobicContact CD2-CD1 3.8Å; Y478-L549 HydrophobicContact CE2-CD1 4.46Å; Y478-L549 HydrophobicContact CG-CD1 3.65Å
479A58.3Low55.5Low6 Ų657 Ų575%0.0531%0.312CS..THydrogen-bonded Turntrans-68.1-23.9179.600000113.9F470 C477 S481 L482 Y483 L500F470-A479 HydrophobicContact CD1-CB 4.02Å; F470-A479 HydrophobicContact CE1-CB 4.39Å; C477-A479 HydrophobicContact CB-CB 4.39Å; C477-A479 PolarHBondContact O-N 3.23Å; C477-A479 VanDerWaalsContact O-N 3.13Å; C477-A479 WeakPolarHBondContact SG-CB 3.28Å; A479-S481 PolarHBondContact O-N 2.97Å; A479-L482 CarbonylContact O-C 3.59Å; A479-L482 WeakPolarHBondContact O-CA 3.24Å; A479-L482 WeakPolarHBondContact O-CB 3.41Å; A479-L482 PolarHBondContact O-N 3.26Å; A479-Y483 HydrophobicContact CB-CD2 4Å; A479-Y483 HydrophobicContact CB-CE2 4.13Å; A479-Y483 PolarHBondContact O-N 2.93Å; A479-L500 HydrophobicContact CB-CD1 3.55Å
480D54.6Low54.7Low99 Ų9964 Ų6453%0.52935%0.35SS..Hα-helixtrans-58.4-49.5-173.4-58.9-10.5000111.2Y478 L482 Y483 E484Y478-D480 VanDerWaalsContact C-N 3.31Å; Y478-D480 PolarHBondContact O-N 3.19Å; D480-L482 PolarHBondContact O-N 3.48Å; D480-L482 VanDerWaalsContact O-N 3.12Å; D480-Y483 PolarHBondContact O-N 3.44Å; D480-Y483 VanDerWaalsContact O-N 3.11Å; D480-E484 PolarHBondContact O-N 2.82Å; D480-E484 VanDerWaalsContact O-N 3.09Å
481S55.9Low54.1Low26 Ų2671 Ų7118%0.18238%0.383CS..Hα-helixtrans-71.3-2.5175.3-570000114.5A479 R712A479-S481 PolarHBondContact O-N 2.97Å; S481-R712 PolarHBondContact OG-NH2 3.09Å; S481-R712 VanDerWaalsContact OG-NH2 3.12Å
482L62.6Low53.8Low11 Ų1173.2 Ų73.26%0.05839%0.391CS..Hα-helixtrans-104.4-24.1170.4-68.5175.3000112.2A479 D480 A486 L500 M525 V529 L549A479-L482 CarbonylContact O-C 3.59Å; A479-L482 WeakPolarHBondContact O-CA 3.24Å; A479-L482 WeakPolarHBondContact O-CB 3.41Å; A479-L482 PolarHBondContact O-N 3.26Å; D480-L482 PolarHBondContact O-N 3.48Å; D480-L482 VanDerWaalsContact O-N 3.12Å; L482-A486 PolarHBondContact O-N 3.24Å; L482-A486 VanDerWaalsContact O-N 3.15Å; L482-L500 HydrophobicContact CB-CD1 3.48Å; L482-L500 VanDerWaalsContact CB-CD1 3.48Å; L482-L500 HydrophobicContact CB-CG 4Å; L482-L500 HydrophobicContact CD1-CD1 3.78Å; L482-L500 HydrophobicContact CD1-CD2 4.02Å; L482-L500 HydrophobicContact CD1-CG 4.02Å; L482-L500 HydrophobicContact CG-CD1 4.29Å; L482-M525 HydrophobicContact CD1-CE 3.72Å; L482-M525 HydrophobicContact CD1-SD 4.39Å; L482-V529 HydrophobicContact CD2-CG2 3.88Å; L482-L549 HydrophobicContact CD1-CD2 3.63Å; L482-L549 HydrophobicContact CG-CD2 4.34Å
483Y61.8Low53.4Low97 Ų9774.7 Ų74.738%0.3841%0.414SS..Hα-helixtrans-72.4-40.2170.1-93-69.6000111.2A479 D480 F485 A486 A487 D501A479-Y483 HydrophobicContact CB-CD2 4Å; A479-Y483 HydrophobicContact CB-CE2 4.13Å; A479-Y483 PolarHBondContact O-N 2.93Å; D480-Y483 PolarHBondContact O-N 3.44Å; D480-Y483 VanDerWaalsContact O-N 3.11Å; Y483-F485 PolarHBondContact O-N 3.31Å; Y483-A486 PolarHBondContact O-N 2.89Å; Y483-A486 VanDerWaalsContact O-N 3.09Å; Y483-A487 PolarHBondContact O-N 3.46Å; Y483-D501 PolarHBondContact OH-OD1 3.38Å
484E56.3Low53.3Low131 Ų13171.7 Ų71.761%0.61240%0.398SS*.Hα-helixtrans-53.9-42.6170.5-70.5169.4161.600111.4D480 A487 A488D480-E484 PolarHBondContact O-N 2.82Å; D480-E484 VanDerWaalsContact O-N 3.09Å; E484-A487 PolarHBondContact O-N 3.11Å; E484-A488 WeakPolarHBondContact O-CB 3.37Å; E484-A488 PolarHBondContact O-N 3.11Å
485F58.1Low53.4Low15 Ų1580.1 Ų80.17%0.06643%0.425CS..Hα-helixtrans-68.4-34.8176.3176.4-100000113.9Y483 N489 N528 V529 F533Y483-F485 PolarHBondContact O-N 3.31Å; F485-N489 WeakPolarHBondContact CD2-ND2 3.41Å; F485-N489 WeakPolarHBondContact CE1-ND2 3.37Å; F485-N489 WeakPolarHBondContact CE2-ND2 3.46Å; F485-N489 WeakPolarHBondContact CZ-ND2 3.47Å; F485-N489 WeakPolarHBondContact O-CB 3.49Å; F485-N489 PolarHBondContact O-N 3.39Å; F485-N489 PolarHBondContact O-ND2 3.26Å; F485-N528 VanDerWaalsContact CE1-ND2 3.3Å; F485-N528 WeakPolarHBondContact CE1-ND2 3.24Å; F485-N528 HydrophobicContact CZ-CB 4.42Å; F485-N528 VanDerWaalsContact CZ-ND2 3.28Å; F485-N528 WeakPolarHBondContact CZ-ND2 3.42Å; F485-V529 HydrophobicContact CD1-CG2 3.62Å; F485-V529 HydrophobicContact CD2-CG1 4.49Å; F485-V529 HydrophobicContact CD2-CG2 4.09Å; F485-V529 HydrophobicContact CE1-CG2 3.59Å; F485-V529 HydrophobicContact CE2-CB 4.35Å; F485-V529 HydrophobicContact CE2-CG2 4.05Å; F485-V529 HydrophobicContact CG-CG2 3.86Å; F485-V529 HydrophobicContact CZ-CB 4.37Å; F485-V529 HydrophobicContact CZ-CG2 3.79Å; F485-F533 HydrophobicContact CB-CE2 4.25Å; F485-F533 AromaticContact CD2-CD2 3.75Å; F485-F533 HydrophobicContact CD2-CD2 3.75Å; F485-F533 AromaticContact CD2-CE2 3.53Å; F485-F533 HydrophobicContact CD2-CE2 3.53Å; F485-F533 HydrophobicContact CE2-CD2 4.1Å; F485-F533 HydrophobicContact CE2-CE2 4.34Å; F485-F533 HydrophobicContact CG-CE2 4.33Å
486A57.7Low53.9Low20 Ų2086.9 Ų86.917%0.16544%0.44CS..Hα-helixtrans-68-45.6175.100000110.9L482 Y483 A488 N489 D490L482-A486 PolarHBondContact O-N 3.24Å; L482-A486 VanDerWaalsContact O-N 3.15Å; Y483-A486 PolarHBondContact O-N 2.89Å; Y483-A486 VanDerWaalsContact O-N 3.09Å; A486-A488 VanDerWaalsContact C-N 3.34Å; A486-A488 PolarHBondContact O-N 3.46Å; A486-N489 PolarHBondContact O-N 3.4Å; A486-D490 PolarHBondContact O-N 2.93Å
487A56.2Low54.5Low69 Ų6984.8 Ų84.857%0.5743%0.434SS*.Hα-helixtrans-61.7-38.517800000112.8Y483 E484Y483-A487 PolarHBondContact O-N 3.46Å; E484-A487 PolarHBondContact O-N 3.11Å
488A55.4Low55.1Low60 Ų6085.8 Ų85.850%0.49643%0.433SS..Hα-helixtrans-69.4-33.217700000113.6E484 A486E484-A488 WeakPolarHBondContact O-CB 3.37Å; E484-A488 PolarHBondContact O-N 3.11Å; A486-A488 VanDerWaalsContact C-N 3.34Å; A486-A488 PolarHBondContact O-N 3.46Å
489N53.5Low55.8Low24 Ų2485.5 Ų85.513%0.12844%0.438CS..Hα-helixtrans-86.5-20.1-173.3-91.8-54.2000115.6F485 A486 Q491 Q492F485-N489 WeakPolarHBondContact CD2-ND2 3.41Å; F485-N489 WeakPolarHBondContact CE1-ND2 3.37Å; F485-N489 WeakPolarHBondContact CE2-ND2 3.46Å; F485-N489 WeakPolarHBondContact CZ-ND2 3.47Å; F485-N489 WeakPolarHBondContact O-CB 3.49Å; F485-N489 PolarHBondContact O-N 3.39Å; F485-N489 PolarHBondContact O-ND2 3.26Å; A486-N489 PolarHBondContact O-N 3.4Å; N489-Q491 PolarHBondContact O-N 3.47Å; N489-Q491 VanDerWaalsContact O-N 3.13Å; N489-Q492 PolarHBondContact O-N 3.45Å
490D52.8Low56.5Low148 Ų14886 Ų8679%0.79144%0.44SS*.THydrogen-bonded Turntrans-60.6-21.6174.7-92.2-11.2000112.1A486A486-D490 PolarHBondContact O-N 2.93Å
491Q49.4Very low57.2Low178 Ų17884.1 Ų84.183%0.83243%0.429SS*.THydrogen-bonded Turntrans-81.7-16.6176.3-60-1733.400114.6N489N489-Q491 PolarHBondContact O-N 3.47Å; N489-Q491 VanDerWaalsContact O-N 3.13Å
492Q48.9Very low58.2Low129 Ų12986.2 Ų86.260%0.60344%0.436SS*.THydrogen-bonded Turntrans-1126.2-174.3-69-167.62.100114.9N489 F494N489-Q492 PolarHBondContact O-N 3.45Å; Q492-F494 VanDerWaalsContact C-N 3.29Å; Q492-F494 HydrophobicContact CB-CD2 3.83Å; Q492-F494 HydrophobicContact CB-CE2 4.1Å; Q492-F494 PolarHBondContact O-N 2.82Å
493G43.8Very low59.1Low61 Ų6185.8 Ų85.863%0.62943%0.434SS*.THydrogen-bonded Turntrans70.816.3168.700000115.8R495G493-R495 PolarHBondContact O-N 3.38Å
494F47.6Very low60Low92 Ų9286.8 Ų86.840%0.40444%0.441SS..  trans-71.461179.6-82.6-77.6000113.8Q492 K496 F497Q492-F494 VanDerWaalsContact C-N 3.29Å; Q492-F494 HydrophobicContact CB-CD2 3.83Å; Q492-F494 HydrophobicContact CB-CE2 4.1Å; Q492-F494 PolarHBondContact O-N 2.82Å; F494-K496 PolarHBondContact O-N 2.78Å; F494-F497 HydrophobicContact CB-CD2 4.42Å; F494-F497 AromaticContact CD1-CE2 3.93Å; F494-F497 HydrophobicContact CD1-CE2 3.93Å
495R49.3Very low61Low244 Ų24485.6 Ų85.692%0.92143%0.433SS*.THydrogen-bonded Turntrans-63.715.4178.9-70.8-172.6172.1-171.3-1116G493G493-R495 PolarHBondContact O-N 3.38Å
496K54.5Low62.1Low192 Ų19285.3 Ų85.384%0.83543%0.432SS*.THydrogen-bonded Turntrans-104.9-5.4-171.3-80.4-175.2177.8173.40115.7F494F494-K496 PolarHBondContact O-N 2.78Å
497F59.5Low63.2Low68 Ų6884.7 Ų84.730%0.29843%0.426SS..SBendtrans-125.8151.5-171.4-54.3-76.1000112.6F494 N528F494-F497 HydrophobicContact CB-CD2 4.42Å; F494-F497 AromaticContact CD1-CE2 3.93Å; F494-F497 HydrophobicContact CD1-CE2 3.93Å; F497-N528 HydrophobicContact CB-CB 4.05Å; F497-N528 WeakPolarHBondContact CB-ND2 3.12Å; F497-N528 HydrophobicContact CD1-CB 3.68Å; F497-N528 HydrophobicContact CD2-CB 4.36Å; F497-N528 VanDerWaalsContact CD2-CG 3.4Å; F497-N528 WeakPolarHBondContact CD2-ND2 3.49Å; F497-N528 WeakPolarHBondContact CD2-OD1 3.42Å; F497-N528 HydrophobicContact CE1-CB 4.15Å; F497-N528 VanDerWaalsContact CE2-OD1 3.27Å; F497-N528 WeakPolarHBondContact CE2-OD1 3.25Å; F497-N528 HydrophobicContact CG-CB 3.79Å; F497-N528 VanDerWaalsContact CG-ND2 3.31Å; F497-N528 WeakPolarHBondContact CG-ND2 3.47Å; F497-N528 WeakPolarHBondContact CG-OD1 3.38Å
498F66.7Low64.2Low72 Ų7286.3 Ų86.332%0.31643%0.425SS..  trans-77.4126176.1-66.3-72.8000110.7Q502 I503 D521 M525F498-Q502 HydrophobicContact CD1-CG 3.82Å; F498-Q502 HydrophobicContact CE1-CG 4.41Å; F498-I503 HydrophobicContact CB-CD1 4.17Å; F498-I503 HydrophobicContact CB-CG1 4Å; F498-D521 HydrophobicContact CD2-CB 3.84Å; F498-D521 HydrophobicContact CE2-CB 4.02Å; F498-D521 WeakPolarHBondContact CE2-OD1 3.46Å; F498-D521 HydrophobicContact CG-CB 4.32Å; F498-M525 WeakPolarHBondContact O-CG 3.34Å
499T69.3Low65.4Low54 Ų5489.9 Ų89.933%0.33143%0.429SS..  trans-87.6163.716861.20000110.8D501 Q502 I503T499-D501 VanDerWaalsContact C-N 3.28Å; T499-D501 PolarHBondContact O-N 2.78Å; T499-Q502 PolarHBondContact O-N 3.02Å; T499-Q502 PolarHBondContact OG1-N 3.1Å; T499-I503 WeakPolarHBondContact O-CG1 3.41Å; T499-I503 PolarHBondContact O-N 3.43Å
500L72.9Confident66.6Low17 Ų1794.8 Ų94.89%0.08945%0.45CS..Hα-helixtrans-55-43.4173.1-80.9-172.7000112.6F470 A479 L482 Q502 I503 K504 M525F470-L500 HydrophobicContact CE1-CD1 3.98Å; F470-L500 HydrophobicContact CE1-CD2 3.52Å; F470-L500 HydrophobicContact CE1-CG 4.45Å; F470-L500 HydrophobicContact CE2-CD2 4.43Å; F470-L500 HydrophobicContact CZ-CD2 3.31Å; A479-L500 HydrophobicContact CB-CD1 3.55Å; L482-L500 HydrophobicContact CB-CD1 3.48Å; L482-L500 VanDerWaalsContact CB-CD1 3.48Å; L482-L500 HydrophobicContact CB-CG 4Å; L482-L500 HydrophobicContact CD1-CD1 3.78Å; L482-L500 HydrophobicContact CD1-CD2 4.02Å; L482-L500 HydrophobicContact CD1-CG 4.02Å; L482-L500 HydrophobicContact CG-CD1 4.29Å; L500-Q502 VanDerWaalsContact C-N 3.27Å; L500-Q502 PolarHBondContact O-N 2.81Å; L500-I503 PolarHBondContact O-N 3.38Å; L500-K504 WeakPolarHBondContact O-CB 3.21Å; L500-K504 PolarHBondContact O-N 2.72Å; L500-M525 HydrophobicContact CD2-CE 3.76Å; L500-M525 HydrophobicContact CD2-SD 3.55Å; L500-M525 VanDerWaalsContact CD2-SD 3.55Å; L500-M525 HydrophobicContact CG-CE 4.49Å; L500-M525 HydrophobicContact CG-SD 3.84Å
501D69.9Low67.9Low58 Ų5894.5 Ų94.531%0.3144%0.437SS..Hα-helixtrans-62.5-34.7176.1-72.3-32.1000112.4Y483 T499 K505Y483-D501 PolarHBondContact OH-OD1 3.38Å; T499-D501 VanDerWaalsContact C-N 3.28Å; T499-D501 PolarHBondContact O-N 2.78Å; D501-K505 VanDerWaalsContact O-CB 3.23Å; D501-K505 WeakPolarHBondContact O-CB 3.27Å; D501-K505 WeakPolarHBondContact O-CD 3.06Å; D501-K505 WeakPolarHBondContact O-CG 3.36Å; D501-K505 PolarHBondContact O-N 3.01Å
502Q76.3Confident69.4Low71 Ų7186.3 Ų86.333%0.33240%0.399SS..Hα-helixtrans-71.6-37.2176.4-172.154.361.200111.9F498 T499 L500 N506F498-Q502 HydrophobicContact CD1-CG 3.82Å; F498-Q502 HydrophobicContact CE1-CG 4.41Å; T499-Q502 PolarHBondContact O-N 3.02Å; T499-Q502 PolarHBondContact OG1-N 3.1Å; L500-Q502 VanDerWaalsContact C-N 3.27Å; L500-Q502 PolarHBondContact O-N 2.81Å; Q502-N506 PolarHBondContact NE2-OD1 2.71Å; Q502-N506 VanDerWaalsContact NE2-OD1 3.07Å; Q502-N506 WeakPolarHBondContact O-CB 3.43Å; Q502-N506 PolarHBondContact O-N 2.96Å; Q502-N506 PolarHBondContact O-ND2 3.49Å; Q502-N506 PolarHBondContact O-OD1 2.88Å
503I81.9Confident70.5Confident2 Ų285.2 Ų85.21%0.0139%0.389CS..Hα-helixtrans-67.1-45.4174-64.6178.4000109.9F498 T499 L500 N506 I507 Y512 F518 M522 M525F498-I503 HydrophobicContact CB-CD1 4.17Å; F498-I503 HydrophobicContact CB-CG1 4Å; T499-I503 WeakPolarHBondContact O-CG1 3.41Å; T499-I503 PolarHBondContact O-N 3.43Å; L500-I503 PolarHBondContact O-N 3.38Å; I503-N506 CarbonylContact O-C 3.6Å; I503-N506 WeakPolarHBondContact O-CA 3.22Å; I503-N506 WeakPolarHBondContact O-CB 3.33Å; I503-N506 PolarHBondContact O-N 2.92Å; I503-I507 HydrophobicContact CG2-CD1 3.87Å; I503-I507 WeakPolarHBondContact O-CD1 3.43Å; I503-I507 VanDerWaalsContact O-CG1 3.29Å; I503-I507 WeakPolarHBondContact O-CG1 3.4Å; I503-I507 PolarHBondContact O-N 3.47Å; I503-Y512 HydrophobicContact CG2-CE2 4.15Å; I503-F518 HydrophobicContact CG2-CD2 4.41Å; I503-F518 HydrophobicContact CG2-CE2 3.83Å; I503-M522 HydrophobicContact CD1-CG 4.19Å; I503-M522 HydrophobicContact CD1-SD 3.61Å; I503-M522 HydrophobicContact CG2-SD 4Å; I503-M525 HydrophobicContact CD1-CB 4.26Å; I503-M525 HydrophobicContact CD1-SD 4Å
504K79Confident71.8Confident118 Ų11885.3 Ų85.351%0.51337%0.371SS..Hα-helixtrans-57.5-51.3173.5-171.8172.7-179.4176.60111.9L500 N506 I507 D508L500-K504 WeakPolarHBondContact O-CB 3.21Å; L500-K504 PolarHBondContact O-N 2.72Å; K504-N506 PolarHBondContact O-N 3.48Å; K504-N506 VanDerWaalsContact O-N 3.17Å; K504-I507 WeakPolarHBondContact O-CA 3.23Å; K504-I507 WeakPolarHBondContact O-CB 3.36Å; K504-I507 PolarHBondContact O-N 3.18Å; K504-D508 VanDerWaalsContact O-CG 3.25Å; K504-D508 PolarHBondContact O-N 2.8Å
505K77.9Confident73.5Confident106 Ų10681.1 Ų81.146%0.46135%0.353SS..Hα-helixtrans-57.3-30.9172.9-73.9164.8-173.3169.40112.8D501 K509D501-K505 VanDerWaalsContact O-CB 3.23Å; D501-K505 WeakPolarHBondContact O-CB 3.27Å; D501-K505 WeakPolarHBondContact O-CD 3.06Å; D501-K505 WeakPolarHBondContact O-CG 3.36Å; D501-K505 PolarHBondContact O-N 3.01Å; K505-K509 VanDerWaalsContact O-CB 3.24Å; K505-K509 WeakPolarHBondContact O-CB 3.34Å; K505-K509 WeakPolarHBondContact O-CD 3.45Å; K505-K509 WeakPolarHBondContact O-CG 3.46Å; K505-K509 PolarHBondContact O-N 3.41Å
506N81.2Confident75.1Confident8 Ų870 Ų704%0.04331%0.311CS..Hα-helixtrans-74.8-36.9174.6-74.2-15.4000112.2Q502 I503 K504 K510 R511 Y512Q502-N506 PolarHBondContact NE2-OD1 2.71Å; Q502-N506 VanDerWaalsContact NE2-OD1 3.07Å; Q502-N506 WeakPolarHBondContact O-CB 3.43Å; Q502-N506 PolarHBondContact O-N 2.96Å; Q502-N506 PolarHBondContact O-ND2 3.49Å; Q502-N506 PolarHBondContact O-OD1 2.88Å; I503-N506 CarbonylContact O-C 3.6Å; I503-N506 WeakPolarHBondContact O-CA 3.22Å; I503-N506 WeakPolarHBondContact O-CB 3.33Å; I503-N506 PolarHBondContact O-N 2.92Å; K504-N506 PolarHBondContact O-N 3.48Å; K504-N506 VanDerWaalsContact O-N 3.17Å; N506-K510 PolarHBondContact O-N 3.47Å; N506-R511 HydrophobicContact CB-CB 4.24Å; N506-R511 WeakPolarHBondContact O-CB 3.5Å; N506-R511 PolarHBondContact O-N 3.47Å; N506-R511 WeakPolarHBondContact OD1-CD 3.49Å; N506-R511 PolarHBondContact OD1-NH1 2.69Å; N506-Y512 HydrophobicContact CB-CD2 4.17Å; N506-Y512 HydrophobicContact CB-CE2 3.42Å; N506-Y512 VanDerWaalsContact CB-CE2 3.42Å; N506-Y512 PolarHBondContact ND2-OH 2.95Å
507I81Confident76.4Confident8 Ų864.2 Ų64.24%0.04128%0.284CS..Hα-helixtrans-66.3-50.5174.4-64152.1000110.4V462 Q463 V466 I503 K504 K509 K510 Y512 F518V462-I507 HydrophobicContact CG1-CG1 3.92Å; Q463-I507 HydrophobicContact CG-CG2 3.73Å; V466-I507 HydrophobicContact CB-CD1 4.38Å; V466-I507 HydrophobicContact CG1-CD1 4.2Å; V466-I507 HydrophobicContact CG2-CD1 3.37Å; V466-I507 HydrophobicContact CG2-CG1 4.33Å; I503-I507 HydrophobicContact CG2-CD1 3.87Å; I503-I507 WeakPolarHBondContact O-CD1 3.43Å; I503-I507 VanDerWaalsContact O-CG1 3.29Å; I503-I507 WeakPolarHBondContact O-CG1 3.4Å; I503-I507 PolarHBondContact O-N 3.47Å; K504-I507 WeakPolarHBondContact O-CA 3.23Å; K504-I507 WeakPolarHBondContact O-CB 3.36Å; K504-I507 PolarHBondContact O-N 3.18Å; I507-K509 VanDerWaalsContact C-N 3.26Å; I507-K509 PolarHBondContact O-N 3.22Å; I507-K510 WeakPolarHBondContact O-CA 3.44Å; I507-K510 PolarHBondContact O-N 3.06Å; I507-Y512 HydrophobicContact CG1-CD2 3.79Å; I507-Y512 HydrophobicContact CG1-CE2 3.95Å; I507-F518 HydrophobicContact CD1-CE2 4.3Å
508D77Confident77.9Confident102 Ų10261 Ų6155%0.54527%0.27SS..Hα-helixtrans-60.1-37.8179.8-60.8-26.9000111.5K504 K510K504-D508 VanDerWaalsContact O-CG 3.25Å; K504-D508 PolarHBondContact O-N 2.8Å; D508-K510 PolarHBondContact O-N 3.44Å
509K81.4Confident79Confident135 Ų13558.2 Ų58.259%0.58726%0.258SS*.THydrogen-bonded Turntrans-81.210.3174.2-65.9175.9-176.9-177.60113.8K505 I507 R511K505-K509 VanDerWaalsContact O-CB 3.24Å; K505-K509 WeakPolarHBondContact O-CB 3.34Å; K505-K509 WeakPolarHBondContact O-CD 3.45Å; K505-K509 WeakPolarHBondContact O-CG 3.46Å; K505-K509 PolarHBondContact O-N 3.41Å; I507-K509 VanDerWaalsContact C-N 3.26Å; I507-K509 PolarHBondContact O-N 3.22Å; K509-R511 VanDerWaalsContact C-N 3.28Å; K509-R511 HydrophobicContact CB-CG 4.02Å; K509-R511 PolarHBondContact O-N 3.49Å
510K78.5Confident79.8Confident127 Ų12759.9 Ų59.955%0.55226%0.262SS*.THydrogen-bonded Turntrans4942.1178.6-59.5-173.1179.7-170.60114.2Q459 N506 I507 D508Q459-K510 HydrophobicContact CG-CB 4.16Å; Q459-K510 HydrophobicContact CG-CD 4.37Å; Q459-K510 HydrophobicContact CG-CG 4.28Å; Q459-K510 PolarHBondContact NE2-O 2.73Å; Q459-K510 VanDerWaalsContact OE1-CA 3.24Å; N506-K510 PolarHBondContact O-N 3.47Å; I507-K510 WeakPolarHBondContact O-CA 3.44Å; I507-K510 PolarHBondContact O-N 3.06Å; D508-K510 PolarHBondContact O-N 3.44Å
511R78.9Confident80.4Confident142 Ų14260.4 Ų60.454%0.53627%0.265SS..  trans-81.7-27.7-175.8-65.7-175.2170.8-169-8.9113.4N506 K509 R513N506-R511 HydrophobicContact CB-CB 4.24Å; N506-R511 WeakPolarHBondContact O-CB 3.5Å; N506-R511 PolarHBondContact O-N 3.47Å; N506-R511 WeakPolarHBondContact OD1-CD 3.49Å; N506-R511 PolarHBondContact OD1-NH1 2.69Å; K509-R511 VanDerWaalsContact C-N 3.28Å; K509-R511 HydrophobicContact CB-CG 4.02Å; K509-R511 PolarHBondContact O-N 3.49Å; R511-R513 PolarHBondContact O-N 2.92Å
512Y81.6Confident81.2Confident7 Ų757.6 Ų57.63%0.02725%0.25CS..  trans-86.181-177.4-65.7-59.5000112.2Q459 V462 I503 N506 I507 R517 F518 D521Q459-Y512 PolarHBondContact NE2-O 3.39Å; V462-Y512 HydrophobicContact CG1-CD2 4.25Å; I503-Y512 HydrophobicContact CG2-CE2 4.15Å; N506-Y512 HydrophobicContact CB-CD2 4.17Å; N506-Y512 HydrophobicContact CB-CE2 3.42Å; N506-Y512 VanDerWaalsContact CB-CE2 3.42Å; N506-Y512 PolarHBondContact ND2-OH 2.95Å; I507-Y512 HydrophobicContact CG1-CD2 3.79Å; I507-Y512 HydrophobicContact CG1-CE2 3.95Å; Y512-R517 HydrophobicContact CD1-CB 4.37Å; Y512-F518 HydrophobicContact CD1-CB 3.83Å; Y512-F518 HydrophobicContact CD1-CD2 4.44Å; Y512-F518 HydrophobicContact CD2-CB 4.42Å; Y512-F518 AromaticContact CD2-CD2 3.81Å; Y512-F518 HydrophobicContact CD2-CD2 3.81Å; Y512-F518 HydrophobicContact CD2-CG 4.49Å; Y512-F518 HydrophobicContact CE1-CB 4.35Å; Y512-F518 HydrophobicContact CE1-CD2 4.45Å; Y512-F518 AromaticContact CE2-CD2 3.82Å; Y512-F518 HydrophobicContact CE2-CD2 3.82Å; Y512-F518 HydrophobicContact CE2-CE2 4.49Å; Y512-F518 HydrophobicContact CG-CB 3.89Å; Y512-F518 HydrophobicContact CG-CD2 4.15Å; Y512-F518 HydrophobicContact CG-CG 4.42Å; Y512-D521 HydrophobicContact CE1-CB 4.26Å; Y512-D521 WeakPolarHBondContact CE1-OD2 3.44Å; Y512-D521 PolarHBondContact OH-OD2 3.46Å
513R71.4Confident81.9Confident105 Ų10554.7 Ų54.740%0.39624%0.237SC..  trans-85.70.4175.2-54.2142.7174-89.1-8112.5V458 R511 D993 Y994V458-R513 WeakPolarHBondContact CG2-O 3.41Å; R511-R513 PolarHBondContact O-N 2.92Å; R513-D993 WeakPolarHBondContact CB-OD2 3.22Å; R513-D993 VanDerWaalsContact CD-OD1 3.22Å; R513-D993 WeakPolarHBondContact CD-OD1 3.25Å; R513-D993 PolarHBondContact N-OD2 2.8Å; R513-Y994 VanDerWaalsContact CZ-OH 3.22Å; R513-Y994 PolarHBondContact NH1-OH 3.07Å; R513-Y994 PolarHBondContact NH2-OH 3.24Å; R513-Y994 VanDerWaalsContact NH2-OH 3.16Å
514R71.8Confident81.9Confident63 Ų6355.8 Ų55.824%0.23825%0.246CC..SBendtrans-136127.1177.4-103.8173.879.8-172.3-6.8111D516 R517 F518 D993R514-D516 VanDerWaalsContact C-N 3.27Å; R514-D516 VanDerWaalsContact CB-OD1 3.32Å; R514-D516 WeakPolarHBondContact CB-OD1 3.31Å; R514-D516 IonicContact CZ-OD1 3.65Å; R514-D516 IonicContact CZ-OD2 3.39Å; R514-D516 IonicContact NE-OD1 3.1Å; R514-D516 PolarHBondContact NE-OD1 2.85Å; R514-D516 IonicContact NE-OD2 2.76Å; R514-D516 PolarHBondContact NE-OD2 3.36Å; R514-D516 IonicContact NH2-OD1 2.68Å; R514-D516 IonicContact NH2-OD2 3.46Å; R514-D516 PolarHBondContact NH2-OD2 3.17Å; R514-D516 PolarHBondContact O-N 3.3Å; R514-R517 HydrophobicContact CB-CB 4.37Å; R514-R517 HydrophobicContact CB-CG 4.16Å; R514-R517 WeakPolarHBondContact O-CB 3.49Å; R514-R517 PolarHBondContact O-N 2.91Å; R514-R517 VanDerWaalsContact O-N 3.1Å; R514-F518 PolarHBondContact O-N 3.06Å; R514-D993 HydrophobicContact CB-CB 4.14Å; R514-D993 HydrophobicContact CG-CB 3.91Å; R514-D993 PolarHBondContact N-OD2 3.45Å
515L83.8Confident82.1Confident4 Ų450.3 Ų50.32%0.02122%0.222CC..Hα-helixtrans-62-32.5178172.559.8000112.5M465 R517 F518 Q519 R557 T561 F567 A571M465-L515 HydrophobicContact CE-CD1 4.01Å; M465-L515 HydrophobicContact SD-CD1 3.36Å; M465-L515 WeakPolarHBondContact SD-CD1 3.18Å; M465-L515 HydrophobicContact SD-CD2 4.47Å; L515-R517 VanDerWaalsContact C-N 3.32Å; L515-R517 PolarHBondContact O-N 3.49Å; L515-F518 HydrophobicContact CD1-CD1 4.07Å; L515-F518 PolarHBondContact O-N 3.41Å; L515-Q519 WeakPolarHBondContact O-CB 3.24Å; L515-Q519 PolarHBondContact O-N 2.89Å; L515-R557 HydrophobicContact CD1-CG 4.43Å; L515-R557 HydrophobicContact CD2-CG 3.98Å; L515-T561 HydrophobicContact CD2-CG2 3.55Å; L515-F567 HydrophobicContact CB-CE2 3.9Å; L515-F567 HydrophobicContact CB-CZ 4.38Å; L515-F567 HydrophobicContact CD2-CE2 3.63Å; L515-F567 HydrophobicContact CD2-CZ 3.73Å; L515-F567 HydrophobicContact CG-CE2 4.42Å; L515-A571 HydrophobicContact CD2-CB 4.35Å; L515-A571 HydrophobicContact CG-CB 3.97Å
516D82.3Confident82.5Confident11 Ų1145.3 Ų45.36%0.05920%0.2CC..Hα-helixtrans-69.2-27.7175.761.1-32.5000113.3R514 E520 S569 P570 A571R514-D516 VanDerWaalsContact C-N 3.27Å; R514-D516 VanDerWaalsContact CB-OD1 3.32Å; R514-D516 WeakPolarHBondContact CB-OD1 3.31Å; R514-D516 IonicContact CZ-OD1 3.65Å; R514-D516 IonicContact CZ-OD2 3.39Å; R514-D516 IonicContact NE-OD1 3.1Å; R514-D516 PolarHBondContact NE-OD1 2.85Å; R514-D516 IonicContact NE-OD2 2.76Å; R514-D516 PolarHBondContact NE-OD2 3.36Å; R514-D516 IonicContact NH2-OD1 2.68Å; R514-D516 IonicContact NH2-OD2 3.46Å; R514-D516 PolarHBondContact NH2-OD2 3.17Å; R514-D516 PolarHBondContact O-N 3.3Å; D516-E520 WeakPolarHBondContact O-CB 3.43Å; D516-E520 VanDerWaalsContact O-CG 3.23Å; D516-E520 WeakPolarHBondContact O-CG 3.48Å; D516-E520 PolarHBondContact O-N 3.21Å; D516-S569 PolarHBondContact N-OG 2.83Å; D516-P570 HydrophobicContact CB-CB 4.1Å; D516-P570 HydrophobicContact CB-CG 4.49Å; D516-P570 WeakPolarHBondContact OD2-CB 3.4Å; D516-P570 WeakPolarHBondContact OD2-CG 3.4Å; D516-A571 HydrophobicContact CB-CB 4.02Å
517R83Confident82.4Confident71 Ų7148.9 Ų48.927%0.26821%0.213SC..Hα-helixtrans-71.5-43.9169.9-70.3-57.3-166.3-175.41.7112.6Y512 R514 L515 Q519 E520 D521Y512-R517 HydrophobicContact CD1-CB 4.37Å; R514-R517 HydrophobicContact CB-CB 4.37Å; R514-R517 HydrophobicContact CB-CG 4.16Å; R514-R517 WeakPolarHBondContact O-CB 3.49Å; R514-R517 PolarHBondContact O-N 2.91Å; R514-R517 VanDerWaalsContact O-N 3.1Å; L515-R517 VanDerWaalsContact C-N 3.32Å; L515-R517 PolarHBondContact O-N 3.49Å; R517-Q519 VanDerWaalsContact C-N 3.3Å; R517-Q519 PolarHBondContact O-N 2.97Å; R517-E520 VanDerWaalsContact CD-OE2 3.3Å; R517-E520 WeakPolarHBondContact CD-OE2 3.25Å; R517-E520 IonicContact CZ-OE2 2.85Å; R517-E520 IonicContact NE-OE2 3.41Å; R517-E520 IonicContact NH1-OE2 2.73Å; R517-E520 PolarHBondContact NH1-OE2 3.43Å; R517-E520 PolarHBondContact O-N 3.18Å; R517-D521 PolarHBondContact O-N 3.29Å; R517-D521 VanDerWaalsContact O-N 3.13Å
518F89.3Confident82Confident0 Ų048.8 Ų48.80%021%0.213CC..Hα-helixtrans-59.7-42.8174.6175.2-122.7000111.6V462 M465 V466 I503 I507 Y512 R514 L515 M522 F553V462-F518 HydrophobicContact CB-CD1 4.48Å; V462-F518 HydrophobicContact CG1-CD1 4.05Å; V462-F518 HydrophobicContact CG1-CD2 3.91Å; V462-F518 HydrophobicContact CG1-CE1 4.19Å; V462-F518 HydrophobicContact CG1-CE2 4.07Å; V462-F518 HydrophobicContact CG1-CG 3.91Å; V462-F518 HydrophobicContact CG1-CZ 4.22Å; V462-F518 HydrophobicContact CG2-CB 4.06Å; V462-F518 HydrophobicContact CG2-CD1 3.95Å; V462-F518 HydrophobicContact CG2-CG 4.02Å; M465-F518 HydrophobicContact CB-CE1 4.15Å; M465-F518 HydrophobicContact CE-CD1 4.46Å; M465-F518 HydrophobicContact CE-CE1 4.09Å; M465-F518 HydrophobicContact SD-CE1 4.46Å; V466-F518 HydrophobicContact CG2-CE1 4.34Å; V466-F518 HydrophobicContact CG2-CE2 3.95Å; V466-F518 HydrophobicContact CG2-CZ 3.48Å; V466-F518 VanDerWaalsContact CG2-CZ 3.48Å; I503-F518 HydrophobicContact CG2-CD2 4.41Å; I503-F518 HydrophobicContact CG2-CE2 3.83Å; I507-F518 HydrophobicContact CD1-CE2 4.3Å; Y512-F518 HydrophobicContact CD1-CB 3.83Å; Y512-F518 HydrophobicContact CD1-CD2 4.44Å; Y512-F518 HydrophobicContact CD2-CB 4.42Å; Y512-F518 AromaticContact CD2-CD2 3.81Å; Y512-F518 HydrophobicContact CD2-CD2 3.81Å; Y512-F518 HydrophobicContact CD2-CG 4.49Å; Y512-F518 HydrophobicContact CE1-CB 4.35Å; Y512-F518 HydrophobicContact CE1-CD2 4.45Å; Y512-F518 AromaticContact CE2-CD2 3.82Å; Y512-F518 HydrophobicContact CE2-CD2 3.82Å; Y512-F518 HydrophobicContact CE2-CE2 4.49Å; Y512-F518 HydrophobicContact CG-CB 3.89Å; Y512-F518 HydrophobicContact CG-CD2 4.15Å; Y512-F518 HydrophobicContact CG-CG 4.42Å; R514-F518 PolarHBondContact O-N 3.06Å; L515-F518 HydrophobicContact CD1-CD1 4.07Å; L515-F518 PolarHBondContact O-N 3.41Å; F518-M522 HydrophobicContact CD2-CG 4.01Å; F518-M522 HydrophobicContact CE1-CG 4.4Å; F518-M522 HydrophobicContact CE2-CG 3.55Å; F518-M522 HydrophobicContact CE2-SD 4.03Å; F518-M522 HydrophobicContact CZ-CE 4.35Å; F518-M522 HydrophobicContact CZ-CG 3.76Å; F518-M522 HydrophobicContact CZ-SD 4.16Å; F518-M522 WeakPolarHBondContact O-CB 3.33Å; F518-M522 VanDerWaalsContact O-CG 3.29Å; F518-M522 WeakPolarHBondContact O-CG 3.45Å; F518-M522 PolarHBondContact O-N 3.28Å; F518-F553 HydrophobicContact CD1-CE2 4.11Å; F518-F553 HydrophobicContact CD1-CZ 4.06Å; F518-F553 AromaticContact CE1-CE2 3.54Å; F518-F553 HydrophobicContact CE1-CE2 3.54Å; F518-F553 AromaticContact CE1-CZ 3.94Å; F518-F553 HydrophobicContact CE1-CZ 3.94Å; F518-F553 AromaticContact CZ-CE2 3.98Å; F518-F553 HydrophobicContact CZ-CE2 3.98Å
519Q90.3Very high81.7Confident13 Ų1344.3 Ų44.36%0.06119%0.189CC..Hα-helixtrans-64.8-42.1174.1179.2171.9-63.300113.1L515 R517 D521 M522 F523 F553 A571L515-Q519 WeakPolarHBondContact O-CB 3.24Å; L515-Q519 PolarHBondContact O-N 2.89Å; R517-Q519 VanDerWaalsContact C-N 3.3Å; R517-Q519 PolarHBondContact O-N 2.97Å; Q519-D521 VanDerWaalsContact C-N 3.33Å; Q519-D521 PolarHBondContact O-N 2.77Å; Q519-M522 PolarHBondContact O-N 2.65Å; Q519-F523 HydrophobicContact CG-CD1 3.91Å; Q519-F523 HydrophobicContact CG-CD2 3.84Å; Q519-F523 HydrophobicContact CG-CE1 3.73Å; Q519-F523 HydrophobicContact CG-CE2 3.63Å; Q519-F523 HydrophobicContact CG-CG 3.99Å; Q519-F523 HydrophobicContact CG-CZ 3.58Å; Q519-F523 WeakPolarHBondContact O-CB 3.37Å; Q519-F523 VanDerWaalsContact O-CG 3.28Å; Q519-F523 WeakPolarHBondContact O-CG 3.32Å; Q519-F523 PolarHBondContact O-N 3.1Å; Q519-F553 HydrophobicContact CB-CE1 3.99Å; Q519-F553 HydrophobicContact CB-CZ 3.99Å; Q519-F553 HydrophobicContact CG-CE1 3.81Å; Q519-F553 HydrophobicContact CG-CZ 4.27Å; Q519-A571 HydrophobicContact CB-CB 4.37Å; Q519-A571 PolarHBondContact NE2-O 3.09Å; Q519-A571 PolarHBondContact OE1-O 3.16Å
520E85.6Confident81.3Confident89 Ų8938.1 Ų38.142%0.41616%0.162SC..Hα-helixtrans-57.3-45.9177.2-82.5170-175.400111.5D516 R517 A524D516-E520 WeakPolarHBondContact O-CB 3.43Å; D516-E520 VanDerWaalsContact O-CG 3.23Å; D516-E520 WeakPolarHBondContact O-CG 3.48Å; D516-E520 PolarHBondContact O-N 3.21Å; R517-E520 VanDerWaalsContact CD-OE2 3.3Å; R517-E520 WeakPolarHBondContact CD-OE2 3.25Å; R517-E520 IonicContact CZ-OE2 2.85Å; R517-E520 IonicContact NE-OE2 3.41Å; R517-E520 IonicContact NH1-OE2 2.73Å; R517-E520 PolarHBondContact NH1-OE2 3.43Å; R517-E520 PolarHBondContact O-N 3.18Å; E520-A524 WeakPolarHBondContact O-CB 3.32Å; E520-A524 PolarHBondContact O-N 2.87Å
521D86.5Confident80.9Confident28 Ų2837.1 Ų37.115%0.1516%0.159CC..Hα-helixtrans-69.7-43.7179.5-71.75.1000112.1F498 Y512 R517 Q519 A524 M525F498-D521 HydrophobicContact CD2-CB 3.84Å; F498-D521 HydrophobicContact CE2-CB 4.02Å; F498-D521 WeakPolarHBondContact CE2-OD1 3.46Å; F498-D521 HydrophobicContact CG-CB 4.32Å; Y512-D521 HydrophobicContact CE1-CB 4.26Å; Y512-D521 WeakPolarHBondContact CE1-OD2 3.44Å; Y512-D521 PolarHBondContact OH-OD2 3.46Å; R517-D521 PolarHBondContact O-N 3.29Å; R517-D521 VanDerWaalsContact O-N 3.13Å; Q519-D521 VanDerWaalsContact C-N 3.33Å; Q519-D521 PolarHBondContact O-N 2.77Å; D521-A524 WeakPolarHBondContact O-CB 3.2Å; D521-A524 PolarHBondContact O-N 2.88Å; D521-M525 PolarHBondContact O-N 2.86Å
522M87.6Confident80.2Confident0 Ų032.8 Ų32.80%015%0.147CC..Hα-helixtrans-62.3-42.4174.9-73.8-75.9-75.200111.7I469 F470 I503 F518 Q519 A524 M525 F526 F553I469-M522 HydrophobicContact CG2-CE 4.36Å; F470-M522 HydrophobicContact CZ-CE 4.21Å; I503-M522 HydrophobicContact CD1-CG 4.19Å; I503-M522 HydrophobicContact CD1-SD 3.61Å; I503-M522 HydrophobicContact CG2-SD 4Å; F518-M522 HydrophobicContact CD2-CG 4.01Å; F518-M522 HydrophobicContact CE1-CG 4.4Å; F518-M522 HydrophobicContact CE2-CG 3.55Å; F518-M522 HydrophobicContact CE2-SD 4.03Å; F518-M522 HydrophobicContact CZ-CE 4.35Å; F518-M522 HydrophobicContact CZ-CG 3.76Å; F518-M522 HydrophobicContact CZ-SD 4.16Å; F518-M522 WeakPolarHBondContact O-CB 3.33Å; F518-M522 VanDerWaalsContact O-CG 3.29Å; F518-M522 WeakPolarHBondContact O-CG 3.45Å; F518-M522 PolarHBondContact O-N 3.28Å; Q519-M522 PolarHBondContact O-N 2.65Å; M522-A524 VanDerWaalsContact C-N 3.32Å; M522-A524 PolarHBondContact O-N 3.22Å; M522-M525 HydrophobicContact CE-CE 4.41Å; M522-M525 WeakPolarHBondContact O-CB 3.23Å; M522-M525 PolarHBondContact O-N 3.32Å; M522-M525 HydrophobicContact SD-CE 4.1Å; M522-F526 HydrophobicContact CB-CE2 4.18Å; M522-F526 HydrophobicContact CE-CE2 4.27Å; M522-F526 HydrophobicContact CE-CZ 3.83Å; M522-F526 WeakPolarHBondContact O-CD2 3.36Å; M522-F526 VanDerWaalsContact O-CG 3.3Å; M522-F526 WeakPolarHBondContact O-CG 3.37Å; M522-F526 PolarHBondContact O-N 3.31Å; M522-F553 HydrophobicContact CB-CD2 4.26Å; M522-F553 HydrophobicContact CB-CE2 3.82Å; M522-F553 HydrophobicContact CB-CZ 4.29Å; M522-F553 HydrophobicContact CE-CD2 3.66Å; M522-F553 HydrophobicContact CE-CE2 3.89Å; M522-F553 HydrophobicContact CG-CD2 4.36Å; M522-F553 HydrophobicContact CG-CE2 3.73Å; M522-F553 HydrophobicContact CG-CZ 4.46Å
523F89.4Confident79.2Confident10 Ų1035.6 Ų35.64%0.04416%0.159CC..Hα-helixtrans-69.5-28.8176-74.99.7000112.5Q519 F526 R527 Q550 F553 I554 Y574Q519-F523 HydrophobicContact CG-CD1 3.91Å; Q519-F523 HydrophobicContact CG-CD2 3.84Å; Q519-F523 HydrophobicContact CG-CE1 3.73Å; Q519-F523 HydrophobicContact CG-CE2 3.63Å; Q519-F523 HydrophobicContact CG-CG 3.99Å; Q519-F523 HydrophobicContact CG-CZ 3.58Å; Q519-F523 WeakPolarHBondContact O-CB 3.37Å; Q519-F523 VanDerWaalsContact O-CG 3.28Å; Q519-F523 WeakPolarHBondContact O-CG 3.32Å; Q519-F523 PolarHBondContact O-N 3.1Å; F523-F526 AromaticContact CD1-CD2 4Å; F523-F526 HydrophobicContact CD1-CD2 4Å; F523-F526 HydrophobicContact CD1-CE2 4.38Å; F523-R527 WeakPolarHBondContact O-CB 3.41Å; F523-R527 PolarHBondContact O-N 3.07Å; F523-Q550 HydrophobicContact CD1-CG 4.01Å; F523-Q550 HydrophobicContact CE1-CG 3.77Å; F523-Q550 HydrophobicContact CZ-CG 4.44Å; F523-F553 AromaticContact CE1-CD1 3.68Å; F523-F553 HydrophobicContact CE1-CD1 3.68Å; F523-F553 AromaticContact CE1-CE1 3.93Å; F523-F553 HydrophobicContact CE1-CE1 3.93Å; F523-F553 HydrophobicContact CE1-CG 4.43Å; F523-F553 HydrophobicContact CZ-CD1 4.4Å; F523-I554 HydrophobicContact CE1-CG1 4.31Å; F523-I554 HydrophobicContact CZ-CD1 4.02Å; F523-I554 HydrophobicContact CZ-CG1 3.87Å; F523-Y574 HydrophobicContact CD2-CE1 4.45Å; F523-Y574 AromaticContact CE2-CD1 3.42Å; F523-Y574 HydrophobicContact CE2-CD1 3.42Å; F523-Y574 VanDerWaalsContact CE2-CD1 3.42Å; F523-Y574 HydrophobicContact CE2-CD2 4.33Å; F523-Y574 AromaticContact CE2-CE1 3.59Å; F523-Y574 HydrophobicContact CE2-CE1 3.59Å; F523-Y574 HydrophobicContact CE2-CE2 4.48Å; F523-Y574 AromaticContact CE2-CG 3.8Å; F523-Y574 HydrophobicContact CE2-CG 3.8Å; F523-Y574 AromaticContact CZ-CD1 3.81Å; F523-Y574 HydrophobicContact CZ-CD1 3.81Å; F523-Y574 AromaticContact CZ-CE1 3.98Å; F523-Y574 HydrophobicContact CZ-CE1 3.98Å
524A83.4Confident78Confident24 Ų2434.1 Ų34.120%0.19816%0.163CC..Hα-helixtrans-67.6-4117100000111.5E520 D521 M522 N528E520-A524 WeakPolarHBondContact O-CB 3.32Å; E520-A524 PolarHBondContact O-N 2.87Å; D521-A524 WeakPolarHBondContact O-CB 3.2Å; D521-A524 PolarHBondContact O-N 2.88Å; M522-A524 VanDerWaalsContact C-N 3.32Å; M522-A524 PolarHBondContact O-N 3.22Å; A524-N528 WeakPolarHBondContact O-CB 3.3Å; A524-N528 PolarHBondContact O-N 3.07Å
525M83.3Confident76.6Confident3 Ų336.6 Ų36.62%0.01519%0.187CC..Hα-helixtrans-61.5-47.4171.6-176.9-171.471.300111.5L482 F498 L500 I503 D521 M522 R527 N528 V529L482-M525 HydrophobicContact CD1-CE 3.72Å; L482-M525 HydrophobicContact CD1-SD 4.39Å; F498-M525 WeakPolarHBondContact O-CG 3.34Å; L500-M525 HydrophobicContact CD2-CE 3.76Å; L500-M525 HydrophobicContact CD2-SD 3.55Å; L500-M525 VanDerWaalsContact CD2-SD 3.55Å; L500-M525 HydrophobicContact CG-CE 4.49Å; L500-M525 HydrophobicContact CG-SD 3.84Å; I503-M525 HydrophobicContact CD1-CB 4.26Å; I503-M525 HydrophobicContact CD1-SD 4Å; D521-M525 PolarHBondContact O-N 2.86Å; M522-M525 HydrophobicContact CE-CE 4.41Å; M522-M525 WeakPolarHBondContact O-CB 3.23Å; M522-M525 PolarHBondContact O-N 3.32Å; M522-M525 HydrophobicContact SD-CE 4.1Å; M525-R527 PolarHBondContact O-N 3.48Å; M525-N528 WeakPolarHBondContact O-CB 3.48Å; M525-N528 PolarHBondContact O-N 2.79Å; M525-V529 WeakPolarHBondContact O-CG2 3.17Å; M525-V529 PolarHBondContact O-N 3.31Å; M525-V529 VanDerWaalsContact O-N 3.08Å
526F84.2Confident74.7Confident1 Ų142.3 Ų42.30%0.00422%0.218CC..Hα-helixtrans-63.7-40.3177.8-61.1-44.3000113M522 F523 R530 N546 L549 Q550 F553M522-F526 HydrophobicContact CB-CE2 4.18Å; M522-F526 HydrophobicContact CE-CE2 4.27Å; M522-F526 HydrophobicContact CE-CZ 3.83Å; M522-F526 WeakPolarHBondContact O-CD2 3.36Å; M522-F526 VanDerWaalsContact O-CG 3.3Å; M522-F526 WeakPolarHBondContact O-CG 3.37Å; M522-F526 PolarHBondContact O-N 3.31Å; F523-F526 AromaticContact CD1-CD2 4Å; F523-F526 HydrophobicContact CD1-CD2 4Å; F523-F526 HydrophobicContact CD1-CE2 4.38Å; F526-R530 WeakPolarHBondContact O-CG 3.43Å; F526-R530 PolarHBondContact O-N 2.76Å; F526-R530 VanDerWaalsContact O-N 3.13Å; F526-R530 PolarHBondContact O-NE 2.88Å; F526-N546 WeakPolarHBondContact CA-OD1 3.48Å; F526-N546 WeakPolarHBondContact CB-OD1 3.45Å; F526-N546 PolarHBondContact O-OD1 2.81Å; F526-N546 VanDerWaalsContact O-OD1 3.1Å; F526-L549 HydrophobicContact CE1-CB 4.36Å; F526-L549 HydrophobicContact CE1-CD2 3.79Å; F526-L549 HydrophobicContact CE1-CG 3.78Å; F526-L549 HydrophobicContact CZ-CD2 4.44Å; F526-L549 HydrophobicContact CZ-CG 4.03Å; F526-Q550 HydrophobicContact CB-CB 4.35Å; F526-Q550 HydrophobicContact CB-CG 4.41Å; F526-Q550 HydrophobicContact CD2-CB 3.61Å; F526-Q550 HydrophobicContact CD2-CG 3.51Å; F526-Q550 HydrophobicContact CE2-CB 3.98Å; F526-Q550 HydrophobicContact CE2-CG 4.03Å; F526-Q550 HydrophobicContact CG-CB 3.96Å; F526-Q550 HydrophobicContact CG-CG 4.19Å; F526-F553 HydrophobicContact CE2-CB 4.22Å; F526-F553 HydrophobicContact CE2-CD2 4.33Å; F526-F553 HydrophobicContact CE2-CG 4.33Å
527R79.3Confident73Confident83 Ų8345.8 Ų45.831%0.31324%0.243SC..Hα-helixtrans-61-47171.2-85.8-171.1-63-83.7-8.6112.1F523 M525 V529 R530 E531F523-R527 WeakPolarHBondContact O-CB 3.41Å; F523-R527 PolarHBondContact O-N 3.07Å; M525-R527 PolarHBondContact O-N 3.48Å; R527-V529 VanDerWaalsContact C-N 3.32Å; R527-V529 PolarHBondContact O-N 3.29Å; R527-R530 VanDerWaalsContact CG-NH2 3.27Å; R527-R530 CarbonylContact O-C 3.55Å; R527-R530 WeakPolarHBondContact O-CA 3.27Å; R527-R530 PolarHBondContact O-N 3.26Å; R527-E531 WeakPolarHBondContact O-CB 3.16Å; R527-E531 WeakPolarHBondContact O-CG 3.46Å; R527-E531 PolarHBondContact O-N 2.66Å
528N73.3Confident71.3Confident7 Ų748.5 Ų48.54%0.03726%0.259CS..Hα-helixtrans-55.5-45.4179.5-177.931.5000112.3F485 F497 A524 M525 R530 E531 N532F485-N528 VanDerWaalsContact CE1-ND2 3.3Å; F485-N528 WeakPolarHBondContact CE1-ND2 3.24Å; F485-N528 HydrophobicContact CZ-CB 4.42Å; F485-N528 VanDerWaalsContact CZ-ND2 3.28Å; F485-N528 WeakPolarHBondContact CZ-ND2 3.42Å; F497-N528 HydrophobicContact CB-CB 4.05Å; F497-N528 WeakPolarHBondContact CB-ND2 3.12Å; F497-N528 HydrophobicContact CD1-CB 3.68Å; F497-N528 HydrophobicContact CD2-CB 4.36Å; F497-N528 VanDerWaalsContact CD2-CG 3.4Å; F497-N528 WeakPolarHBondContact CD2-ND2 3.49Å; F497-N528 WeakPolarHBondContact CD2-OD1 3.42Å; F497-N528 HydrophobicContact CE1-CB 4.15Å; F497-N528 VanDerWaalsContact CE2-OD1 3.27Å; F497-N528 WeakPolarHBondContact CE2-OD1 3.25Å; F497-N528 HydrophobicContact CG-CB 3.79Å; F497-N528 VanDerWaalsContact CG-ND2 3.31Å; F497-N528 WeakPolarHBondContact CG-ND2 3.47Å; F497-N528 WeakPolarHBondContact CG-OD1 3.38Å; A524-N528 WeakPolarHBondContact O-CB 3.3Å; A524-N528 PolarHBondContact O-N 3.07Å; M525-N528 WeakPolarHBondContact O-CB 3.48Å; M525-N528 PolarHBondContact O-N 2.79Å; N528-R530 VanDerWaalsContact C-N 3.34Å; N528-R530 PolarHBondContact O-N 2.83Å; N528-E531 PolarHBondContact O-N 2.89Å; N528-N532 PolarHBondContact O-N 3.06Å; N528-N532 PolarHBondContact OD1-ND2 3.45Å
529V71.7Confident69.2Low8 Ų849.7 Ų49.75%0.04827%0.266CS..Hα-helixtrans-64.4-37175.7178.10000111.9L482 F485 M525 R527 F533 N546L482-V529 HydrophobicContact CD2-CG2 3.88Å; F485-V529 HydrophobicContact CD1-CG2 3.62Å; F485-V529 HydrophobicContact CD2-CG1 4.49Å; F485-V529 HydrophobicContact CD2-CG2 4.09Å; F485-V529 HydrophobicContact CE1-CG2 3.59Å; F485-V529 HydrophobicContact CE2-CB 4.35Å; F485-V529 HydrophobicContact CE2-CG2 4.05Å; F485-V529 HydrophobicContact CG-CG2 3.86Å; F485-V529 HydrophobicContact CZ-CB 4.37Å; F485-V529 HydrophobicContact CZ-CG2 3.79Å; M525-V529 WeakPolarHBondContact O-CG2 3.17Å; M525-V529 PolarHBondContact O-N 3.31Å; M525-V529 VanDerWaalsContact O-N 3.08Å; R527-V529 VanDerWaalsContact C-N 3.32Å; R527-V529 PolarHBondContact O-N 3.29Å; V529-F533 HydrophobicContact CG1-CD2 4.1Å; V529-F533 HydrophobicContact CG1-CE2 4.3Å; V529-N546 WeakPolarHBondContact CB-ND2 3.46Å; V529-N546 HydrophobicContact CG1-CB 4.26Å; V529-N546 VanDerWaalsContact CG1-ND2 3.35Å; V529-N546 WeakPolarHBondContact CG1-ND2 2.96Å
530R72.6Confident67.1Low4 Ų450.9 Ų50.92%0.01528%0.276CS..Hα-helixtrans-72.8-29177.4-71-176.2-70.4152.8-1.1113.5F526 R527 N528 R543 N546 E582F526-R530 WeakPolarHBondContact O-CG 3.43Å; F526-R530 PolarHBondContact O-N 2.76Å; F526-R530 VanDerWaalsContact O-N 3.13Å; F526-R530 PolarHBondContact O-NE 2.88Å; R527-R530 VanDerWaalsContact CG-NH2 3.27Å; R527-R530 CarbonylContact O-C 3.55Å; R527-R530 WeakPolarHBondContact O-CA 3.27Å; R527-R530 PolarHBondContact O-N 3.26Å; N528-R530 VanDerWaalsContact C-N 3.34Å; N528-R530 PolarHBondContact O-N 2.83Å; R530-R543 HydrophobicContact CG-CG 4.3Å; R530-R543 PolarHBondContact O-NE 3.31Å; R530-R543 PolarHBondContact O-NH2 3.14Å; R530-N546 HydrophobicContact CG-CB 4.47Å; R530-E582 IonicContact CZ-OE1 3.38Å; R530-E582 IonicContact NH1-OE1 3.56Å; R530-E582 PolarHBondContact NH1-OE1 2.88Å; R530-E582 VanDerWaalsContact NH1-OE1 3.08Å; R530-E582 IonicContact NH2-OE1 3Å; R530-E582 PolarHBondContact NH2-OE1 2.61Å
531E69.2Low65.6Low106 Ų10647.3 Ų47.350%0.49526%0.261SS..Hα-helixtrans-91.6-41.3-174.3-73.4167.9-161.100113.6R527 N528R527-E531 WeakPolarHBondContact O-CB 3.16Å; R527-E531 WeakPolarHBondContact O-CG 3.46Å; R527-E531 PolarHBondContact O-N 2.66Å; N528-E531 PolarHBondContact O-N 2.89Å
532N64.5Low64Low51 Ų5147.6 Ų47.627%0.27326%0.261SS..Hα-helixtrans-105.28.3-167.9-66.4-57.9000115.6N528 P534N528-N532 PolarHBondContact O-N 3.06Å; N528-N532 PolarHBondContact OD1-ND2 3.45Å; N532-P534 WeakPolarHBondContact O-CD 3.48Å
533F59.9Low62.7Low67 Ų6751.7 Ų51.729%0.29428%0.277SS..SBendtrans-75.8121.5170-117.9-82.8000110.3F485 V529 E542F485-F533 HydrophobicContact CB-CE2 4.25Å; F485-F533 AromaticContact CD2-CD2 3.75Å; F485-F533 HydrophobicContact CD2-CD2 3.75Å; F485-F533 AromaticContact CD2-CE2 3.53Å; F485-F533 HydrophobicContact CD2-CE2 3.53Å; F485-F533 HydrophobicContact CE2-CD2 4.1Å; F485-F533 HydrophobicContact CE2-CE2 4.34Å; F485-F533 HydrophobicContact CG-CE2 4.33Å; V529-F533 HydrophobicContact CG1-CD2 4.1Å; V529-F533 HydrophobicContact CG1-CE2 4.3Å; F533-E542 HydrophobicContact CZ-CG 4.48Å
534P48.2Very low61.4Low73 Ų7354.2 Ų54.247%0.47429%0.29SS..  trans-61.4146.2-179.6-22.833.8000112.4N532 D536 V539N532-P534 WeakPolarHBondContact O-CD 3.48Å; P534-D536 PolarHBondContact O-N 3.29Å; P534-V539 WeakPolarHBondContact O-CG2 3.33Å
535P40.4Very low60.5Low115 Ų11557 Ų5775%0.74730%0.298SS*.  trans-75.434.2-167.532.1-37.4000116.4
536D44.4Very low60Low125 Ų12557.2 Ų57.267%0.66830%0.299SS*.SBendtrans-96.9121.2-174.9-70.9-46.4000113.8P534 Q538 V539P534-D536 PolarHBondContact O-N 3.29Å; D536-Q538 VanDerWaalsContact C-N 3.34Å; D536-Q538 PolarHBondContact O-N 2.91Å; D536-V539 WeakPolarHBondContact O-CG2 3.34Å
537S46.4Very low59.6Low84 Ų8457.8 Ų57.859%0.58730%0.303SS*.THydrogen-bonded Turntrans37.7-51.517478.90000121.4K673S537-K673 WeakPolarHBondContact O-CE 3.45Å
538Q47.3Very low59.3Low127 Ų12757.3 Ų57.359%0.59331%0.31SS*.THydrogen-bonded Turntrans-95.8-12.8-171-69.8-174.4-2100115.8D536 S540 S541D536-Q538 VanDerWaalsContact C-N 3.34Å; D536-Q538 PolarHBondContact O-N 2.91Å; Q538-S540 PolarHBondContact O-N 3.35Å; Q538-S541 PolarHBondContact O-N 3.48Å
539V45.2Very low59.5Low25 Ų2557.3 Ų57.315%0.15231%0.31CS..Hα-helixtrans-49.4-25.5-168.3-176.80000116.7P534 D536 S541 R543P534-V539 WeakPolarHBondContact O-CG2 3.33Å; D536-V539 WeakPolarHBondContact O-CG2 3.34Å; V539-S541 VanDerWaalsContact C-N 3.29Å; V539-S541 PolarHBondContact O-N 3.3Å; V539-R543 VanDerWaalsContact O-CB 3.29Å; V539-R543 WeakPolarHBondContact O-CB 3.35Å; V539-R543 PolarHBondContact O-N 3.14Å; V539-R543 VanDerWaalsContact O-N 3.1Å
540S46.8Very low60.2Low38 Ų3857 Ų5727%0.26631%0.307SS..Hα-helixtrans-66.9-32.1177.778.10000112.5Q538 L544Q538-S540 PolarHBondContact O-N 3.35Å; S540-L544 WeakPolarHBondContact O-CB 3.08Å; S540-L544 PolarHBondContact O-N 3.28Å
541S53.6Low60.8Low15 Ų1557.3 Ų57.311%0.10531%0.31CS..Hα-helixtrans-74.7-46.8-179.1112.70000111.3Q538 V539 L544 K545Q538-S541 PolarHBondContact O-N 3.48Å; V539-S541 VanDerWaalsContact C-N 3.29Å; V539-S541 PolarHBondContact O-N 3.3Å; S541-L544 PolarHBondContact O-N 3.48Å; S541-K545 WeakPolarHBondContact O-CB 3.49Å; S541-K545 WeakPolarHBondContact O-CD 3.28Å; S541-K545 WeakPolarHBondContact O-CG 3.49Å; S541-K545 PolarHBondContact O-N 3.35Å; S541-K545 WeakPolarHBondContact OG-CE 3.39Å; S541-K545 PolarHBondContact OG-NZ 2.94Å
542E53.4Low61.4Low33 Ų3353.6 Ų53.615%0.15430%0.296CS..Hα-helixtrans-68.2-43.5178-74.285.7-113.800112.2F533 L544 K545 N546F533-E542 HydrophobicContact CZ-CG 4.48Å; E542-L544 PolarHBondContact O-N 3.38Å; E542-K545 PolarHBondContact O-N 3.34Å; E542-K545 IonicContact OE1-NZ 3.21Å; E542-N546 WeakPolarHBondContact O-CB 3.48Å; E542-N546 PolarHBondContact O-N 3.43Å
543R61.3Low62.6Low87 Ų8751.1 Ų51.133%0.32828%0.283SS..Hα-helixtrans-58.7-40.2176.4-176177.5-86.5-172.3-3.5110.5R530 V539 C547R530-R543 HydrophobicContact CG-CG 4.3Å; R530-R543 PolarHBondContact O-NE 3.31Å; R530-R543 PolarHBondContact O-NH2 3.14Å; V539-R543 VanDerWaalsContact O-CB 3.29Å; V539-R543 WeakPolarHBondContact O-CB 3.35Å; V539-R543 PolarHBondContact O-N 3.14Å; V539-R543 VanDerWaalsContact O-N 3.1Å; R543-C547 PolarHBondContact O-N 3.28Å; R543-C547 VanDerWaalsContact O-N 3.09Å; R543-C547 PolarHBondContact O-SG 3.43Å
544L60.9Low63.9Low63 Ų6348 Ų4833%0.3327%0.269SS..Hα-helixtrans-69.4-46.5175.5-170.568.9000112.4S540 S541 E542 N546 C547 T548 Y642S540-L544 WeakPolarHBondContact O-CB 3.08Å; S540-L544 PolarHBondContact O-N 3.28Å; S541-L544 PolarHBondContact O-N 3.48Å; E542-L544 PolarHBondContact O-N 3.38Å; L544-N546 VanDerWaalsContact C-N 3.25Å; L544-N546 PolarHBondContact O-N 3.25Å; L544-C547 WeakPolarHBondContact O-CB 3.16Å; L544-C547 PolarHBondContact O-N 3Å; L544-C547 VanDerWaalsContact O-N 3.14Å; L544-T548 PolarHBondContact O-N 3.45Å; L544-T548 PolarHBondContact O-OG1 3.19Å; L544-T548 VanDerWaalsContact O-OG1 3.09Å; L544-Y642 WeakPolarHBondContact CD2-OH 3.48Å
545K65.7Low65.7Low83 Ų8350.6 Ų50.636%0.36127%0.269SS..Hα-helixtrans-55-41.4174.8-72.5160-174.91600111.5S541 E542 T548 L549S541-K545 WeakPolarHBondContact O-CB 3.49Å; S541-K545 WeakPolarHBondContact O-CD 3.28Å; S541-K545 WeakPolarHBondContact O-CG 3.49Å; S541-K545 PolarHBondContact O-N 3.35Å; S541-K545 WeakPolarHBondContact OG-CE 3.39Å; S541-K545 PolarHBondContact OG-NZ 2.94Å; E542-K545 PolarHBondContact O-N 3.34Å; E542-K545 IonicContact OE1-NZ 3.21Å; K545-T548 WeakPolarHBondContact O-CB 3.49Å; K545-T548 PolarHBondContact O-N 2.91Å; K545-L549 WeakPolarHBondContact O-CB 3.42Å; K545-L549 PolarHBondContact O-N 3.12Å
546N71.9Confident67.9Low6 Ų645.8 Ų45.83%0.03224%0.238CC..Hα-helixtrans-67.2-41.3177.5-165.9-87000112.2F526 V529 R530 E542 L544 T548 L549 Q550F526-N546 WeakPolarHBondContact CA-OD1 3.48Å; F526-N546 WeakPolarHBondContact CB-OD1 3.45Å; F526-N546 PolarHBondContact O-OD1 2.81Å; F526-N546 VanDerWaalsContact O-OD1 3.1Å; V529-N546 WeakPolarHBondContact CB-ND2 3.46Å; V529-N546 HydrophobicContact CG1-CB 4.26Å; V529-N546 VanDerWaalsContact CG1-ND2 3.35Å; V529-N546 WeakPolarHBondContact CG1-ND2 2.96Å; R530-N546 HydrophobicContact CG-CB 4.47Å; E542-N546 WeakPolarHBondContact O-CB 3.48Å; E542-N546 PolarHBondContact O-N 3.43Å; L544-N546 VanDerWaalsContact C-N 3.25Å; L544-N546 PolarHBondContact O-N 3.25Å; N546-T548 VanDerWaalsContact C-N 3.35Å; N546-T548 PolarHBondContact O-N 2.9Å; N546-L549 PolarHBondContact O-N 2.81Å; N546-Q550 PolarHBondContact O-N 2.87Å
547C75.5Confident70Confident13 Ų1339.8 Ų39.89%0.08821%0.206CC..Hα-helixtrans-61.6-42.2171.7-63.30000111.6R543 L544 L549 Q550 S551 V583R543-C547 PolarHBondContact O-N 3.28Å; R543-C547 VanDerWaalsContact O-N 3.09Å; R543-C547 PolarHBondContact O-SG 3.43Å; L544-C547 WeakPolarHBondContact O-CB 3.16Å; L544-C547 PolarHBondContact O-N 3Å; L544-C547 VanDerWaalsContact O-N 3.14Å; C547-L549 VanDerWaalsContact C-N 3.33Å; C547-L549 PolarHBondContact O-N 2.85Å; C547-Q550 PolarHBondContact O-N 2.82Å; C547-S551 WeakPolarHBondContact O-CB 3.37Å; C547-S551 PolarHBondContact O-N 3.35Å; C547-V583 HydrophobicContact CB-CG2 4.31Å; C547-V583 WeakPolarHBondContact SG-CG2 3.16Å
548T72.9Confident72Confident74 Ų7437.4 Ų37.445%0.45419%0.186SC..Hα-helixtrans-61.2-41.1174.6-58.40000111.5L544 K545 N546 S551 C552L544-T548 PolarHBondContact O-N 3.45Å; L544-T548 PolarHBondContact O-OG1 3.19Å; L544-T548 VanDerWaalsContact O-OG1 3.09Å; K545-T548 WeakPolarHBondContact O-CB 3.49Å; K545-T548 PolarHBondContact O-N 2.91Å; N546-T548 VanDerWaalsContact C-N 3.35Å; N546-T548 PolarHBondContact O-N 2.9Å; T548-S551 WeakPolarHBondContact O-CB 3.49Å; T548-S551 PolarHBondContact O-N 3.48Å; T548-C552 WeakPolarHBondContact O-CB 3.35Å; T548-C552 PolarHBondContact O-N 2.69Å
549L78Confident73.7Confident7 Ų737.7 Ų37.74%0.03719%0.188CC..Hα-helixtrans-68.5-40.3177.5-174.456.6000112.4I469 Y478 L482 F526 K545 N546 C547 S551 C552 F553I469-L549 HydrophobicContact CG2-CD1 3.96Å; Y478-L549 HydrophobicContact CD1-CD1 4.24Å; Y478-L549 HydrophobicContact CD2-CD1 3.8Å; Y478-L549 HydrophobicContact CE2-CD1 4.46Å; Y478-L549 HydrophobicContact CG-CD1 3.65Å; L482-L549 HydrophobicContact CD1-CD2 3.63Å; L482-L549 HydrophobicContact CG-CD2 4.34Å; F526-L549 HydrophobicContact CE1-CB 4.36Å; F526-L549 HydrophobicContact CE1-CD2 3.79Å; F526-L549 HydrophobicContact CE1-CG 3.78Å; F526-L549 HydrophobicContact CZ-CD2 4.44Å; F526-L549 HydrophobicContact CZ-CG 4.03Å; K545-L549 WeakPolarHBondContact O-CB 3.42Å; K545-L549 PolarHBondContact O-N 3.12Å; N546-L549 PolarHBondContact O-N 2.81Å; C547-L549 VanDerWaalsContact C-N 3.33Å; C547-L549 PolarHBondContact O-N 2.85Å; L549-S551 VanDerWaalsContact C-N 3.31Å; L549-S551 PolarHBondContact O-N 3.27Å; L549-C552 WeakPolarHBondContact O-CB 3.48Å; L549-C552 PolarHBondContact O-N 3.43Å; L549-F553 PolarHBondContact O-N 3.05Å
550Q86.5Confident75.4Confident0 Ų038.4 Ų38.40%019%0.19CC..Hα-helixtrans-66.8-33.2172.5-170.5173.8-2.800111.9F523 F526 N546 C547 F553 I554 L579F523-Q550 HydrophobicContact CD1-CG 4.01Å; F523-Q550 HydrophobicContact CE1-CG 3.77Å; F523-Q550 HydrophobicContact CZ-CG 4.44Å; F526-Q550 HydrophobicContact CB-CB 4.35Å; F526-Q550 HydrophobicContact CB-CG 4.41Å; F526-Q550 HydrophobicContact CD2-CB 3.61Å; F526-Q550 HydrophobicContact CD2-CG 3.51Å; F526-Q550 HydrophobicContact CE2-CB 3.98Å; F526-Q550 HydrophobicContact CE2-CG 4.03Å; F526-Q550 HydrophobicContact CG-CB 3.96Å; F526-Q550 HydrophobicContact CG-CG 4.19Å; N546-Q550 PolarHBondContact O-N 2.87Å; C547-Q550 PolarHBondContact O-N 2.82Å; Q550-F553 WeakPolarHBondContact O-CB 3.49Å; Q550-I554 VanDerWaalsContact O-CG1 3.31Å; Q550-I554 WeakPolarHBondContact O-CG1 3.44Å; Q550-I554 PolarHBondContact O-N 3.48Å; Q550-I554 VanDerWaalsContact O-N 3.13Å; Q550-L579 HydrophobicContact CB-CD1 4.43Å; Q550-L579 HydrophobicContact CB-CD2 3.93Å; Q550-L579 VanDerWaalsContact CD-CD1 3.49Å; Q550-L579 HydrophobicContact CG-CD1 4.05Å; Q550-L579 HydrophobicContact CG-CD2 3.94Å
551S84.8Confident76.8Confident11 Ų1136.6 Ų36.68%0.07718%0.178CC..Hα-helixtrans-68.3-42.4172.1-168.10000111.9C547 T548 L549 I554 R555 E576C547-S551 WeakPolarHBondContact O-CB 3.37Å; C547-S551 PolarHBondContact O-N 3.35Å; T548-S551 WeakPolarHBondContact O-CB 3.49Å; T548-S551 PolarHBondContact O-N 3.48Å; L549-S551 VanDerWaalsContact C-N 3.31Å; L549-S551 PolarHBondContact O-N 3.27Å; S551-I554 PolarHBondContact O-N 3.27Å; S551-R555 WeakPolarHBondContact O-CG 3.33Å; S551-R555 PolarHBondContact O-N 3.28Å; S551-E576 WeakPolarHBondContact OG-CG 3.22Å; S551-E576 PolarHBondContact OG-OE1 2.95Å; S551-E576 PolarHBondContact OG-OE2 2.66Å
552C82.4Confident77.9Confident28 Ų2841.9 Ų41.919%0.18920%0.199CC..Hα-helixtrans-57.9-49.6173.5-172.30000110.2T548 L549 I554 R555 T556T548-C552 WeakPolarHBondContact O-CB 3.35Å; T548-C552 PolarHBondContact O-N 2.69Å; L549-C552 WeakPolarHBondContact O-CB 3.48Å; L549-C552 PolarHBondContact O-N 3.43Å; C552-I554 VanDerWaalsContact C-N 3.27Å; C552-I554 PolarHBondContact O-N 3.29Å; C552-R555 PolarHBondContact O-N 3.03Å; C552-T556 WeakPolarHBondContact O-CB 3.42Å; C552-T556 PolarHBondContact O-N 3.12Å; C552-T556 PolarHBondContact O-OG1 3.18Å; C552-T556 VanDerWaalsContact O-OG1 3.09Å
553F88.6Confident79Confident0 Ų047.8 Ų47.80%023%0.227CC..Hα-helixtrans-49.2-47.1172.8-179.9-74.8000112.5M465 I469 F518 Q519 M522 F523 F526 L549 Q550 R557M465-F553 HydrophobicContact CE-CD1 4.38Å; M465-F553 HydrophobicContact CE-CD2 4.29Å; M465-F553 HydrophobicContact CE-CE1 3.89Å; M465-F553 HydrophobicContact CE-CE2 3.75Å; M465-F553 HydrophobicContact CE-CZ 3.53Å; I469-F553 HydrophobicContact CD1-CB 4.05Å; I469-F553 HydrophobicContact CD1-CD2 3.3Å; I469-F553 HydrophobicContact CD1-CE2 3.86Å; I469-F553 HydrophobicContact CD1-CG 3.87Å; I469-F553 HydrophobicContact CG1-CB 4.43Å; I469-F553 HydrophobicContact CG1-CD2 4.4Å; F518-F553 HydrophobicContact CD1-CE2 4.11Å; F518-F553 HydrophobicContact CD1-CZ 4.06Å; F518-F553 AromaticContact CE1-CE2 3.54Å; F518-F553 HydrophobicContact CE1-CE2 3.54Å; F518-F553 AromaticContact CE1-CZ 3.94Å; F518-F553 HydrophobicContact CE1-CZ 3.94Å; F518-F553 AromaticContact CZ-CE2 3.98Å; F518-F553 HydrophobicContact CZ-CE2 3.98Å; Q519-F553 HydrophobicContact CB-CE1 3.99Å; Q519-F553 HydrophobicContact CB-CZ 3.99Å; Q519-F553 HydrophobicContact CG-CE1 3.81Å; Q519-F553 HydrophobicContact CG-CZ 4.27Å; M522-F553 HydrophobicContact CB-CD2 4.26Å; M522-F553 HydrophobicContact CB-CE2 3.82Å; M522-F553 HydrophobicContact CB-CZ 4.29Å; M522-F553 HydrophobicContact CE-CD2 3.66Å; M522-F553 HydrophobicContact CE-CE2 3.89Å; M522-F553 HydrophobicContact CG-CD2 4.36Å; M522-F553 HydrophobicContact CG-CE2 3.73Å; M522-F553 HydrophobicContact CG-CZ 4.46Å; F523-F553 AromaticContact CE1-CD1 3.68Å; F523-F553 HydrophobicContact CE1-CD1 3.68Å; F523-F553 AromaticContact CE1-CE1 3.93Å; F523-F553 HydrophobicContact CE1-CE1 3.93Å; F523-F553 HydrophobicContact CE1-CG 4.43Å; F523-F553 HydrophobicContact CZ-CD1 4.4Å; F526-F553 HydrophobicContact CE2-CB 4.22Å; F526-F553 HydrophobicContact CE2-CD2 4.33Å; F526-F553 HydrophobicContact CE2-CG 4.33Å; L549-F553 PolarHBondContact O-N 3.05Å; Q550-F553 WeakPolarHBondContact O-CB 3.49Å; F553-R557 WeakPolarHBondContact O-CB 3.5Å; F553-R557 PolarHBondContact O-N 3.08Å
554I88.8Confident79.3Confident2 Ų244.4 Ų44.41%0.0122%0.219CC..Hα-helixtrans-65.8-40.6-179.3-71.2165.5000111.9F523 Q550 S551 C552 N558 Y574 E576 L579F523-I554 HydrophobicContact CE1-CG1 4.31Å; F523-I554 HydrophobicContact CZ-CD1 4.02Å; F523-I554 HydrophobicContact CZ-CG1 3.87Å; Q550-I554 VanDerWaalsContact O-CG1 3.31Å; Q550-I554 WeakPolarHBondContact O-CG1 3.44Å; Q550-I554 PolarHBondContact O-N 3.48Å; Q550-I554 VanDerWaalsContact O-N 3.13Å; S551-I554 PolarHBondContact O-N 3.27Å; C552-I554 VanDerWaalsContact C-N 3.27Å; C552-I554 PolarHBondContact O-N 3.29Å; I554-N558 WeakPolarHBondContact O-CB 3.43Å; I554-N558 VanDerWaalsContact O-CG 3.24Å; I554-N558 PolarHBondContact O-N 3.44Å; I554-N558 PolarHBondContact O-OD1 3.35Å; I554-Y574 HydrophobicContact CD1-CD1 3.97Å; I554-Y574 HydrophobicContact CD1-CE1 3.88Å; I554-E576 HydrophobicContact CG2-CB 4.24Å; I554-L579 HydrophobicContact CD1-CB 4.06Å; I554-L579 HydrophobicContact CD1-CD2 4.04Å
555R85.7Confident79.4Confident127 Ų12746.3 Ų46.348%0.47923%0.229SC..Hα-helixtrans-67.7-54.9177.6-67.3177.6-167165.44111.5S551 C552 R557 N558 E559 E576S551-R555 WeakPolarHBondContact O-CG 3.33Å; S551-R555 PolarHBondContact O-N 3.28Å; C552-R555 PolarHBondContact O-N 3.03Å; R555-R557 VanDerWaalsContact C-N 3.27Å; R555-R557 PolarHBondContact O-N 3.18Å; R555-N558 CarbonylContact O-C 3.45Å; R555-N558 WeakPolarHBondContact O-CA 3.23Å; R555-N558 WeakPolarHBondContact O-CB 3.31Å; R555-N558 PolarHBondContact O-N 2.94Å; R555-E559 WeakPolarHBondContact O-CG 3.33Å; R555-E559 PolarHBondContact O-N 3.45Å; R555-E576 WeakPolarHBondContact CG-OE2 3.29Å; R555-E576 IonicContact CZ-OE1 3.56Å; R555-E576 IonicContact CZ-OE2 2.83Å; R555-E576 IonicContact NE-OE1 3.61Å; R555-E576 IonicContact NE-OE2 3.26Å; R555-E576 PolarHBondContact NE-OE2 3.17Å; R555-E576 IonicContact NH2-OE1 2.7Å; R555-E576 PolarHBondContact NH2-OE1 3.43Å; R555-E576 IonicContact NH2-OE2 3.49Å; R555-E576 PolarHBondContact NH2-OE2 2.84Å
556T85.2Confident79.1Confident13 Ų1344 Ų448%0.0822%0.222CC..Hα-helixtrans-56-40.8177.3-54.80000112S468 I469 C552 E559 L560S468-T556 VanDerWaalsContact CB-CG2 3.41Å; I469-T556 HydrophobicContact CD1-CG2 4.49Å; I469-T556 HydrophobicContact CG1-CG2 4.08Å; C552-T556 WeakPolarHBondContact O-CB 3.42Å; C552-T556 PolarHBondContact O-N 3.12Å; C552-T556 PolarHBondContact O-OG1 3.18Å; C552-T556 VanDerWaalsContact O-OG1 3.09Å; T556-E559 PolarHBondContact O-N 2.62Å; T556-L560 HydrophobicContact CG2-CD1 3.84Å; T556-L560 HydrophobicContact CG2-CG 4.46Å; T556-L560 WeakPolarHBondContact O-CB 3.48Å; T556-L560 WeakPolarHBondContact O-CG 3.42Å; T556-L560 PolarHBondContact O-N 3.02Å
557R90Very high78.6Confident0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-57.3-50.6171.4-177.1-159.970.1-166.33.1111.5M465 L515 F553 R555 T561 A571 Y574M465-R557 HydrophobicContact CE-CB 3.49Å; M465-R557 VanDerWaalsContact CE-CB 3.49Å; M465-R557 HydrophobicContact CE-CG 3.87Å; M465-R557 HydrophobicContact SD-CB 4.2Å; M465-R557 HydrophobicContact SD-CG 4.21Å; L515-R557 HydrophobicContact CD1-CG 4.43Å; L515-R557 HydrophobicContact CD2-CG 3.98Å; F553-R557 WeakPolarHBondContact O-CB 3.5Å; F553-R557 PolarHBondContact O-N 3.08Å; R555-R557 VanDerWaalsContact C-N 3.27Å; R555-R557 PolarHBondContact O-N 3.18Å; R557-T561 WeakPolarHBondContact O-CB 3.18Å; R557-T561 VanDerWaalsContact O-CG2 3.28Å; R557-T561 WeakPolarHBondContact O-CG2 2.96Å; R557-T561 PolarHBondContact O-N 3.01Å; R557-T561 PolarHBondContact O-OG1 3.33Å; R557-A571 PolarHBondContact NH1-O 2.78Å; R557-Y574 VanDerWaalsContact CZ-O 3.28Å; R557-Y574 PolarHBondContact NH1-O 3.47Å; R557-Y574 PolarHBondContact NH2-O 3.21Å
558N87.4Confident78.3Confident33 Ų3351.4 Ų51.418%0.17625%0.249CC..Hα-helixtrans-65.3-39.5-178.7-76.85.8000111.7I554 R555 T561 K562 E563 L572I554-N558 WeakPolarHBondContact O-CB 3.43Å; I554-N558 VanDerWaalsContact O-CG 3.24Å; I554-N558 PolarHBondContact O-N 3.44Å; I554-N558 PolarHBondContact O-OD1 3.35Å; R555-N558 CarbonylContact O-C 3.45Å; R555-N558 WeakPolarHBondContact O-CA 3.23Å; R555-N558 WeakPolarHBondContact O-CB 3.31Å; R555-N558 PolarHBondContact O-N 2.94Å; N558-T561 PolarHBondContact O-OG1 3.2Å; N558-K562 CarbonylContact O-C 3.5Å; N558-K562 WeakPolarHBondContact O-CA 3.42Å; N558-K562 PolarHBondContact O-N 3.02Å; N558-E563 HydrophobicContact CB-CG 4.46Å; N558-E563 PolarHBondContact O-N 3.07Å; N558-L572 WeakPolarHBondContact OD1-CD2 3.41Å
559E82.7Confident78.4Confident134 Ų13448.1 Ų48.163%0.62623%0.229SC*.Hα-helixtrans-64.6-51.1177.4-71.2165.7-175.500111.6R555 T556 T561 K562R555-E559 WeakPolarHBondContact O-CG 3.33Å; R555-E559 PolarHBondContact O-N 3.45Å; T556-E559 PolarHBondContact O-N 2.62Å; E559-T561 PolarHBondContact O-N 3.29Å; E559-K562 PolarHBondContact O-N 3.41Å; E559-K562 VanDerWaalsContact O-N 3.1Å
560L80.7Confident78.3Confident39 Ų3949.8 Ų49.820%0.20424%0.24CC..Hα-helixtrans-67.4-33.9-179.5-69.1171.7000112.8W461 E464 M465 T556 K562W461-L560 HydrophobicContact CE3-CB 4.07Å; W461-L560 HydrophobicContact CE3-CD2 4.38Å; W461-L560 HydrophobicContact CZ3-CB 4.14Å; W461-L560 HydrophobicContact CZ3-CD2 4.03Å; E464-L560 HydrophobicContact CB-CD1 4.27Å; M465-L560 HydrophobicContact CB-CD1 4.29Å; M465-L560 HydrophobicContact CG-CD1 3.49Å; M465-L560 VanDerWaalsContact CG-CD1 3.49Å; T556-L560 HydrophobicContact CG2-CD1 3.84Å; T556-L560 HydrophobicContact CG2-CG 4.46Å; T556-L560 WeakPolarHBondContact O-CB 3.48Å; T556-L560 WeakPolarHBondContact O-CG 3.42Å; T556-L560 PolarHBondContact O-N 3.02Å; L560-K562 VanDerWaalsContact C-N 3.35Å
561T77.5Confident78.1Confident1 Ų149.9 Ų49.91%0.00624%0.241CC..Hα-helixtrans-82.8-9.5172.8580000113.9L515 R557 N558 E559 G564 D565 V566 F567 L572L515-T561 HydrophobicContact CD2-CG2 3.55Å; R557-T561 WeakPolarHBondContact O-CB 3.18Å; R557-T561 VanDerWaalsContact O-CG2 3.28Å; R557-T561 WeakPolarHBondContact O-CG2 2.96Å; R557-T561 PolarHBondContact O-N 3.01Å; R557-T561 PolarHBondContact O-OG1 3.33Å; N558-T561 PolarHBondContact O-OG1 3.2Å; E559-T561 PolarHBondContact O-N 3.29Å; T561-G564 CarbonylContact O-C 3.56Å; T561-G564 PolarHBondContact O-N 3.38Å; T561-G564 VanDerWaalsContact O-N 3.08Å; T561-D565 PolarHBondContact O-N 3.34Å; T561-V566 PolarHBondContact O-N 3.06Å; T561-F567 HydrophobicContact CG2-CD1 4.29Å; T561-F567 HydrophobicContact CG2-CE1 3.78Å; T561-F567 HydrophobicContact CG2-CE2 4.11Å; T561-F567 HydrophobicContact CG2-CZ 3.69Å; T561-L572 WeakPolarHBondContact OG1-CD2 3.42Å
562K76.5Confident78Confident126 Ų12650.7 Ų50.755%0.54824%0.244SC..G310 helixtrans45.255.6-165-60.9-179.2-176.6-178.50112.7N558 E559 L560 G564 D565 V566N558-K562 CarbonylContact O-C 3.5Å; N558-K562 WeakPolarHBondContact O-CA 3.42Å; N558-K562 PolarHBondContact O-N 3.02Å; E559-K562 PolarHBondContact O-N 3.41Å; E559-K562 VanDerWaalsContact O-N 3.1Å; L560-K562 VanDerWaalsContact C-N 3.35Å; K562-G564 PolarHBondContact O-N 2.55Å; K562-D565 HydrophobicContact CB-CB 3.89Å; K562-D565 VanDerWaalsContact O-CB 3.31Å; K562-D565 WeakPolarHBondContact O-CB 3.45Å; K562-D565 PolarHBondContact O-N 3.49Å; K562-V566 HydrophobicContact CB-CG2 3.94Å; K562-V566 HydrophobicContact CD-CG2 3.71Å; K562-V566 HydrophobicContact CG-CG2 3.67Å
563E76.6Confident78Confident157 Ų15754 Ų5473%0.73427%0.268SS*.G310 helixtrans56.813.3-177.6-51.1-16215200115.1N558N558-E563 HydrophobicContact CB-CG 4.46Å; N558-E563 PolarHBondContact O-N 3.07Å
564G67.3Low77.9Confident16 Ų1656.1 Ų56.117%0.16528%0.276CS..G310 helixtrans117.7-11.2-176.300000114.4T561 K562 V566 F567 Y568 L572T561-G564 CarbonylContact O-C 3.56Å; T561-G564 PolarHBondContact O-N 3.38Å; T561-G564 VanDerWaalsContact O-N 3.08Å; K562-G564 PolarHBondContact O-N 2.55Å; G564-V566 VanDerWaalsContact C-N 3.35Å; G564-V566 PolarHBondContact O-N 3.11Å; G564-F567 CarbonylContact O-C 3.59Å; G564-F567 VanDerWaalsContact O-C 3.23Å; G564-F567 PolarHBondContact O-N 3.47Å; G564-Y568 PolarHBondContact O-N 3.47Å; G564-L572 VanDerWaalsContact CA-CD1 3.45Å
565D62Low77.7Confident103 Ų10357.2 Ų57.255%0.55129%0.286SS*.THydrogen-bonded Turntrans-67.3-28.9-179.3-80-7.2000113.5T561 K562 V1066T561-D565 PolarHBondContact O-N 3.34Å; K562-D565 HydrophobicContact CB-CB 3.89Å; K562-D565 VanDerWaalsContact O-CB 3.31Å; K562-D565 WeakPolarHBondContact O-CB 3.45Å; K562-D565 PolarHBondContact O-N 3.49Å; D565-V1066 WeakPolarHBondContact O-CG1 3.28Å
566V61.1Low77.7Confident33 Ų3353.8 Ų53.820%0.228%0.275CS..SBendtrans-82-46172.9-175.60000110.3W461 T561 K562 G564 V1066W461-V566 HydrophobicContact CH2-CG1 4.21Å; W461-V566 HydrophobicContact CZ2-CG1 3.74Å; T561-V566 PolarHBondContact O-N 3.06Å; K562-V566 HydrophobicContact CB-CG2 3.94Å; K562-V566 HydrophobicContact CD-CG2 3.71Å; K562-V566 HydrophobicContact CG-CG2 3.67Å; G564-V566 VanDerWaalsContact C-N 3.35Å; G564-V566 PolarHBondContact O-N 3.11Å; V566-V1066 WeakPolarHBondContact O-CG1 3.48Å
567F61Low77.6Confident12 Ų1260.1 Ų60.15%0.05330%0.302CS..  trans-158.4136.6168.965-83.9000111.8I456 W461 L515 T561 G564 S569I456-F567 HydrophobicContact CD1-CB 3.57Å; I456-F567 HydrophobicContact CG1-CB 4Å; I456-F567 HydrophobicContact CG2-CB 4.12Å; I456-F567 HydrophobicContact CG2-CD1 3.81Å; I456-F567 HydrophobicContact CG2-CD2 4.42Å; I456-F567 HydrophobicContact CG2-CE1 4.25Å; I456-F567 HydrophobicContact CG2-CG 3.89Å; W461-F567 HydrophobicContact CB-CE1 4.06Å; W461-F567 HydrophobicContact CB-CZ 4.06Å; W461-F567 AromaticContact CD1-CE1 3.64Å; W461-F567 AromaticContact CD2-CE1 3.97Å; W461-F567 HydrophobicContact CD2-CE1 3.97Å; W461-F567 AromaticContact CG-CE1 3.61Å; W461-F567 HydrophobicContact CG-CE1 3.61Å; W461-F567 HydrophobicContact CG-CZ 4.1Å; L515-F567 HydrophobicContact CB-CE2 3.9Å; L515-F567 HydrophobicContact CB-CZ 4.38Å; L515-F567 HydrophobicContact CD2-CE2 3.63Å; L515-F567 HydrophobicContact CD2-CZ 3.73Å; L515-F567 HydrophobicContact CG-CE2 4.42Å; T561-F567 HydrophobicContact CG2-CD1 4.29Å; T561-F567 HydrophobicContact CG2-CE1 3.78Å; T561-F567 HydrophobicContact CG2-CE2 4.11Å; T561-F567 HydrophobicContact CG2-CZ 3.69Å; G564-F567 CarbonylContact O-C 3.59Å; G564-F567 VanDerWaalsContact O-C 3.23Å; G564-F567 PolarHBondContact O-N 3.47Å; F567-S569 PolarHBondContact O-N 2.77Å
568Y69.2Low77.4Confident164 Ų16462.4 Ų62.464%0.64331%0.314SS*.  trans-76.8123.5174.1-179.5-94.7000111.4G564G564-Y568 PolarHBondContact O-N 3.47Å
569S73.6Confident77.3Confident5 Ų561 Ų614%0.03531%0.306CS..  trans-122.2141.2168.4177.10000110.3D516 F567 A571 L572D516-S569 PolarHBondContact N-OG 2.83Å; F567-S569 PolarHBondContact O-N 2.77Å; S569-A571 PolarHBondContact O-N 3.26Å; S569-A571 WeakPolarHBondContact OG-CB 3.45Å; S569-A571 PolarHBondContact OG-N 3.37Å; S569-L572 WeakPolarHBondContact O-CB 3.36Å; S569-L572 WeakPolarHBondContact O-CG 3.2Å; S569-L572 PolarHBondContact O-N 3.33Å; S569-L572 VanDerWaalsContact O-N 3.08Å
570P76.4Confident77.2Confident41 Ų4158.7 Ų58.727%0.26630%0.298SS..G310 helixtrans-54.3-21.1168.6-24.935.6000113.7D516 L572 S573D516-P570 HydrophobicContact CB-CB 4.1Å; D516-P570 HydrophobicContact CB-CG 4.49Å; D516-P570 WeakPolarHBondContact OD2-CB 3.4Å; D516-P570 WeakPolarHBondContact OD2-CG 3.4Å; P570-L572 PolarHBondContact O-N 3.2Å; P570-S573 PolarHBondContact O-N 3.43Å; P570-S573 VanDerWaalsContact O-N 3.12Å; P570-S573 PolarHBondContact O-OG 3.33Å
571A82.4Confident77.1Confident2 Ų258.9 Ų58.92%0.01731%0.306CS..G310 helixtrans-48.9-39.2173.100000112.8L515 D516 Q519 R557 S569 S573 Y574L515-A571 HydrophobicContact CD2-CB 4.35Å; L515-A571 HydrophobicContact CG-CB 3.97Å; D516-A571 HydrophobicContact CB-CB 4.02Å; Q519-A571 HydrophobicContact CB-CB 4.37Å; Q519-A571 PolarHBondContact NE2-O 3.09Å; Q519-A571 PolarHBondContact OE1-O 3.16Å; R557-A571 PolarHBondContact NH1-O 2.78Å; S569-A571 PolarHBondContact O-N 3.26Å; S569-A571 WeakPolarHBondContact OG-CB 3.45Å; S569-A571 PolarHBondContact OG-N 3.37Å; A571-S573 PolarHBondContact O-N 2.92Å; A571-Y574 PolarHBondContact O-N 2.91Å
572L83.1Confident77.1Confident28 Ų2860.7 Ų60.715%0.14731%0.314CS..G310 helixtrans-67.3-13.9-175.7-61.2166.4000113.6N558 T561 G564 S569 P570 Y574N558-L572 WeakPolarHBondContact OD1-CD2 3.41Å; T561-L572 WeakPolarHBondContact OG1-CD2 3.42Å; G564-L572 VanDerWaalsContact CA-CD1 3.45Å; S569-L572 WeakPolarHBondContact O-CB 3.36Å; S569-L572 WeakPolarHBondContact O-CG 3.2Å; S569-L572 PolarHBondContact O-N 3.33Å; S569-L572 VanDerWaalsContact O-N 3.08Å; P570-L572 PolarHBondContact O-N 3.2Å; L572-Y574 PolarHBondContact O-N 3.38Å
573S82.2Confident76.8Confident98 Ų9855.3 Ų55.369%0.68529%0.292SS*.G310 helixtrans-74.5-5.4176.373.30000114.2P570 A571P570-S573 PolarHBondContact O-N 3.43Å; P570-S573 VanDerWaalsContact O-N 3.12Å; P570-S573 PolarHBondContact O-OG 3.33Å; A571-S573 PolarHBondContact O-N 2.92Å
574Y86.8Confident76.4Confident44 Ų4454.2 Ų54.217%0.17329%0.287CS..SBendtrans-112.3112.1171.7-171-75.1000108.1F523 I554 R557 A571 L572 D578 L579 E582F523-Y574 HydrophobicContact CD2-CE1 4.45Å; F523-Y574 AromaticContact CE2-CD1 3.42Å; F523-Y574 HydrophobicContact CE2-CD1 3.42Å; F523-Y574 VanDerWaalsContact CE2-CD1 3.42Å; F523-Y574 HydrophobicContact CE2-CD2 4.33Å; F523-Y574 AromaticContact CE2-CE1 3.59Å; F523-Y574 HydrophobicContact CE2-CE1 3.59Å; F523-Y574 HydrophobicContact CE2-CE2 4.48Å; F523-Y574 AromaticContact CE2-CG 3.8Å; F523-Y574 HydrophobicContact CE2-CG 3.8Å; F523-Y574 AromaticContact CZ-CD1 3.81Å; F523-Y574 HydrophobicContact CZ-CD1 3.81Å; F523-Y574 AromaticContact CZ-CE1 3.98Å; F523-Y574 HydrophobicContact CZ-CE1 3.98Å; I554-Y574 HydrophobicContact CD1-CD1 3.97Å; I554-Y574 HydrophobicContact CD1-CE1 3.88Å; R557-Y574 VanDerWaalsContact CZ-O 3.28Å; R557-Y574 PolarHBondContact NH1-O 3.47Å; R557-Y574 PolarHBondContact NH2-O 3.21Å; A571-Y574 PolarHBondContact O-N 2.91Å; L572-Y574 PolarHBondContact O-N 3.38Å; Y574-D578 HydrophobicContact CD1-CB 4.32Å; Y574-D578 HydrophobicContact CD2-CB 4.12Å; Y574-D578 HydrophobicContact CE1-CB 4.34Å; Y574-D578 HydrophobicContact CE2-CB 4.14Å; Y574-D578 HydrophobicContact CG-CB 4.23Å; Y574-L579 HydrophobicContact CE1-CB 3.97Å; Y574-L579 WeakPolarHBondContact OH-CA 3.39Å; Y574-E582 PolarHBondContact OH-OE2 2.88Å
575A85.3Confident76.2Confident26 Ų2659.9 Ų59.922%0.21531%0.309CS..  trans-108.3174.4-176.900000111.5K577 D578 L579A575-K577 HydrophobicContact CB-CG 4.17Å; A575-K577 PolarHBondContact O-N 3.45Å; A575-D578 PolarHBondContact N-OD2 2.83Å; A575-D578 WeakPolarHBondContact O-CB 3.41Å; A575-D578 PolarHBondContact O-N 2.94Å; A575-L579 PolarHBondContact O-N 3.49Å
576E83.8Confident76Confident54 Ų5457.3 Ų57.325%0.25229%0.293SS..Hα-helixtrans-60.5-31.3-177.4-169.5172.714300112.6S551 I554 R555 D578 L579 N580S551-E576 WeakPolarHBondContact OG-CG 3.22Å; S551-E576 PolarHBondContact OG-OE1 2.95Å; S551-E576 PolarHBondContact OG-OE2 2.66Å; I554-E576 HydrophobicContact CG2-CB 4.24Å; R555-E576 WeakPolarHBondContact CG-OE2 3.29Å; R555-E576 IonicContact CZ-OE1 3.56Å; R555-E576 IonicContact CZ-OE2 2.83Å; R555-E576 IonicContact NE-OE1 3.61Å; R555-E576 IonicContact NE-OE2 3.26Å; R555-E576 PolarHBondContact NE-OE2 3.17Å; R555-E576 IonicContact NH2-OE1 2.7Å; R555-E576 PolarHBondContact NH2-OE1 3.43Å; R555-E576 IonicContact NH2-OE2 3.49Å; R555-E576 PolarHBondContact NH2-OE2 2.84Å; E576-D578 VanDerWaalsContact C-N 3.28Å; E576-D578 PolarHBondContact O-N 3.26Å; E576-L579 WeakPolarHBondContact O-CB 3.4Å; E576-L579 PolarHBondContact O-N 3.23Å; E576-N580 WeakPolarHBondContact O-CB 3.28Å; E576-N580 VanDerWaalsContact O-CG 3.27Å; E576-N580 PolarHBondContact O-N 3.23Å; E576-N580 PolarHBondContact O-ND2 3.47Å
577K84.2Confident75.6Confident147 Ų14760.3 Ų60.364%0.63930%0.304SS*.Hα-helixtrans-60.7-33.8171.770.1-172.7-178.3-176.30113.5A575 N580 A581A575-K577 HydrophobicContact CB-CG 4.17Å; A575-K577 PolarHBondContact O-N 3.45Å; K577-N580 PolarHBondContact O-N 3.13Å; K577-A581 WeakPolarHBondContact O-CB 3.35Å; K577-A581 PolarHBondContact O-N 3.46Å
578D86.2Confident74.6Confident48 Ų4864.4 Ų64.426%0.25733%0.333SS..Hα-helixtrans-78.1-36.4-177.7-52.3-59.7000109.7Y574 A575 E576 A581 E582Y574-D578 HydrophobicContact CD1-CB 4.32Å; Y574-D578 HydrophobicContact CD2-CB 4.12Å; Y574-D578 HydrophobicContact CE1-CB 4.34Å; Y574-D578 HydrophobicContact CE2-CB 4.14Å; Y574-D578 HydrophobicContact CG-CB 4.23Å; A575-D578 PolarHBondContact N-OD2 2.83Å; A575-D578 WeakPolarHBondContact O-CB 3.41Å; A575-D578 PolarHBondContact O-N 2.94Å; E576-D578 VanDerWaalsContact C-N 3.28Å; E576-D578 PolarHBondContact O-N 3.26Å; D578-A581 PolarHBondContact O-N 3.44Å; D578-E582 WeakPolarHBondContact O-CB 3.45Å; D578-E582 PolarHBondContact O-N 2.94Å
579L85.1Confident73.4Confident2 Ų264.6 Ų64.61%0.0134%0.339CS..Hα-helixtrans-60.3-47.6166.9179.259.7000111.7Q550 I554 Y574 A575 E576 A581 E582 V583Q550-L579 HydrophobicContact CB-CD1 4.43Å; Q550-L579 HydrophobicContact CB-CD2 3.93Å; Q550-L579 VanDerWaalsContact CD-CD1 3.49Å; Q550-L579 HydrophobicContact CG-CD1 4.05Å; Q550-L579 HydrophobicContact CG-CD2 3.94Å; I554-L579 HydrophobicContact CD1-CB 4.06Å; I554-L579 HydrophobicContact CD1-CD2 4.04Å; Y574-L579 HydrophobicContact CE1-CB 3.97Å; Y574-L579 WeakPolarHBondContact OH-CA 3.39Å; A575-L579 PolarHBondContact O-N 3.49Å; E576-L579 WeakPolarHBondContact O-CB 3.4Å; E576-L579 PolarHBondContact O-N 3.23Å; L579-A581 VanDerWaalsContact C-N 3.3Å; L579-A581 PolarHBondContact O-N 3.01Å; L579-E582 PolarHBondContact O-N 3.36Å; L579-V583 HydrophobicContact CD1-CG2 3.94Å; L579-V583 HydrophobicContact CG-CG2 4.32Å; L579-V583 WeakPolarHBondContact O-CB 3.21Å; L579-V583 VanDerWaalsContact O-CG2 3.26Å; L579-V583 WeakPolarHBondContact O-CG2 3.18Å; L579-V583 PolarHBondContact O-N 3.01Å
580N80.5Confident72Confident86 Ų8667.7 Ų67.746%0.4636%0.361SS..Hα-helixtrans-61.8-38.8179.9-73.5-27.7000111.7E576 K577 Q584E576-N580 WeakPolarHBondContact O-CB 3.28Å; E576-N580 VanDerWaalsContact O-CG 3.27Å; E576-N580 PolarHBondContact O-N 3.23Å; E576-N580 PolarHBondContact O-ND2 3.47Å; K577-N580 PolarHBondContact O-N 3.13Å; N580-Q584 WeakPolarHBondContact O-CB 3.32Å; N580-Q584 PolarHBondContact O-N 3.14Å
581A78.2Confident70.4Confident44 Ų4472.5 Ų72.536%0.36438%0.384SS..Hα-helixtrans-63.6-49.3172.800000112.1K577 D578 L579 V583 Q584 E585K577-A581 WeakPolarHBondContact O-CB 3.35Å; K577-A581 PolarHBondContact O-N 3.46Å; D578-A581 PolarHBondContact O-N 3.44Å; L579-A581 VanDerWaalsContact C-N 3.3Å; L579-A581 PolarHBondContact O-N 3.01Å; A581-V583 VanDerWaalsContact C-N 3.31Å; A581-V583 PolarHBondContact O-N 2.9Å; A581-Q584 PolarHBondContact O-N 2.67Å; A581-E585 PolarHBondContact O-N 2.91Å
582E77.2Confident69.1Low39 Ų3974.5 Ų74.518%0.18241%0.405CS..Hα-helixtrans-58.7-41.7177.9-170.1-176128.200111.8R530 Y574 D578 L579 Q586R530-E582 IonicContact CZ-OE1 3.38Å; R530-E582 IonicContact NH1-OE1 3.56Å; R530-E582 PolarHBondContact NH1-OE1 2.88Å; R530-E582 VanDerWaalsContact NH1-OE1 3.08Å; R530-E582 IonicContact NH2-OE1 3Å; R530-E582 PolarHBondContact NH2-OE1 2.61Å; Y574-E582 PolarHBondContact OH-OE2 2.88Å; D578-E582 WeakPolarHBondContact O-CB 3.45Å; D578-E582 PolarHBondContact O-N 2.94Å; L579-E582 PolarHBondContact O-N 3.36Å; E582-Q586 WeakPolarHBondContact O-CB 3.46Å; E582-Q586 VanDerWaalsContact O-CG 3.29Å; E582-Q586 WeakPolarHBondContact O-CG 3.25Å; E582-Q586 PolarHBondContact O-N 3.29Å
583V71.2Confident68.4Low13 Ų1380 Ų808%0.07943%0.43CS..Hα-helixtrans-69.7-31.7176171.60000112.1C547 L579 A581 K587C547-V583 HydrophobicContact CB-CG2 4.31Å; C547-V583 WeakPolarHBondContact SG-CG2 3.16Å; L579-V583 HydrophobicContact CD1-CG2 3.94Å; L579-V583 HydrophobicContact CG-CG2 4.32Å; L579-V583 WeakPolarHBondContact O-CB 3.21Å; L579-V583 VanDerWaalsContact O-CG2 3.26Å; L579-V583 WeakPolarHBondContact O-CG2 3.18Å; L579-V583 PolarHBondContact O-N 3.01Å; A581-V583 VanDerWaalsContact C-N 3.31Å; A581-V583 PolarHBondContact O-N 2.9Å; V583-K587 HydrophobicContact CG1-CD 4.24Å; V583-K587 WeakPolarHBondContact O-CD 3.29Å; V583-K587 VanDerWaalsContact O-CG 3.25Å; V583-K587 WeakPolarHBondContact O-CG 3.46Å; V583-K587 PolarHBondContact O-N 2.86Å; V583-K587 VanDerWaalsContact O-N 3.12Å
584Q66.7Low68.3Low134 Ų13481.1 Ų81.163%0.62642%0.424SS*.Hα-helixtrans-76-39.4177.6-169.3165.36.100111.6N580 A581 K587 C588N580-Q584 WeakPolarHBondContact O-CB 3.32Å; N580-Q584 PolarHBondContact O-N 3.14Å; A581-Q584 PolarHBondContact O-N 2.67Å; Q584-K587 PolarHBondContact O-N 3.06Å; Q584-C588 PolarHBondContact O-N 2.99Å; Q584-C588 VanDerWaalsContact O-N 3.11Å; Q584-C588 PolarHBondContact O-SG 2.97Å; Q584-C588 VanDerWaalsContact O-SG 3.4Å
585E63.8Low68.1Low135 Ų13582.1 Ų82.163%0.63143%0.431SS*.Hα-helixtrans-60.8-45.8170.1-72179.2173.700111.1A581 K587 C588 H589A581-E585 PolarHBondContact O-N 2.91Å; E585-K587 PolarHBondContact O-N 3.29Å; E585-C588 PolarHBondContact O-N 3.41Å; E585-H589 PolarHBondContact O-N 3.17Å
586Q58.8Low68.1Low48 Ų4884.7 Ų84.722%0.22445%0.452CS..Hα-helixtrans-60.9-27.8174.1-74.9177.1-4.100113.6E582E582-Q586 WeakPolarHBondContact O-CB 3.46Å; E582-Q586 VanDerWaalsContact O-CG 3.29Å; E582-Q586 WeakPolarHBondContact O-CG 3.25Å; E582-Q586 PolarHBondContact O-N 3.29Å
587K51.1Low68.4Low97 Ų9784.5 Ų84.542%0.42246%0.457SS..Hα-helixtrans-80-21.6174.7-78166.61771710113.5V583 Q584 E585 H589 S590V583-K587 HydrophobicContact CG1-CD 4.24Å; V583-K587 WeakPolarHBondContact O-CD 3.29Å; V583-K587 VanDerWaalsContact O-CG 3.25Å; V583-K587 WeakPolarHBondContact O-CG 3.46Å; V583-K587 PolarHBondContact O-N 2.86Å; V583-K587 VanDerWaalsContact O-N 3.12Å; Q584-K587 PolarHBondContact O-N 3.06Å; E585-K587 PolarHBondContact O-N 3.29Å; K587-H589 VanDerWaalsContact C-N 3.34Å; K587-S590 PolarHBondContact O-OG 3.05Å
588C40.9Very low68.7Low98 Ų9878 Ų7866%0.66243%0.43SS*.Hα-helixtrans-85-6.4176.3-69.80000113.5Q584 E585Q584-C588 PolarHBondContact O-N 2.99Å; Q584-C588 VanDerWaalsContact O-N 3.11Å; Q584-C588 PolarHBondContact O-SG 2.97Å; Q584-C588 VanDerWaalsContact O-SG 3.4Å; E585-C588 PolarHBondContact O-N 3.41Å
589H43.6Very low69Low168 Ų16880.1 Ų80.178%0.77844%0.444SS*.THydrogen-bonded Turntrans-10817.6177.3-70.7-37.9000113.9E585 K587E585-H589 PolarHBondContact O-N 3.17Å; K587-H589 VanDerWaalsContact C-N 3.34Å
590S43.7Very low69.2Low69 Ų6980.1 Ų80.148%0.48344%0.444SS..SBendtrans-123121.2171.956.40000110K587K587-S590 PolarHBondContact O-OG 3.05Å
591D42.7Very low69.6Low143 Ų14383.4 Ų83.477%0.76545%0.45SS*.  trans-59.2132.8-161.9-60.2-77.1000116.7
592G55.7Low70Confident44 Ų4488.9 Ų88.945%0.45447%0.474SS..  trans167.6144162.700000114.2K632G592-K632 WeakPolarHBondContact CA-O 3.42Å
593Q68.6Low70.6Confident143 Ų14390 Ų9067%0.66848%0.482SS*.EExtended strand (participates in β ladder)trans-84.2116.7170.3-176.4177.4-0.200108.7W631 K632Q593-W631 CarbonylContact O-C 3.5Å; Q593-W631 VanDerWaalsContact O-CA 3.25Å; Q593-W631 WeakPolarHBondContact O-CA 2.88Å; Q593-W631 WeakPolarHBondContact O-CB 3.42Å; Q593-K632 PolarHBondContact N-O 3.22Å; Q593-K632 VanDerWaalsContact N-O 3.13Å; Q593-K632 PolarHBondContact O-N 3.34Å
594E80.2Confident71.6Confident121 Ų12192.9 Ų92.957%0.56550%0.5SS*.EExtended strand (participates in β ladder)trans-64.3146176-72.5-161.5137.800111.9R629E594-R629 IonicContact OE1-CZ 2.84Å; E594-R629 VanDerWaalsContact OE1-CZ 3.26Å; E594-R629 IonicContact OE1-NE 3.53Å; E594-R629 PolarHBondContact OE1-NE 3.45Å; E594-R629 IonicContact OE1-NH2 2.78Å; E594-R629 PolarHBondContact OE1-NH2 3.33Å
595M83.3Confident72.8Confident66 Ų6686.8 Ų86.833%0.32547%0.471SS..EExtended strand (participates in β ladder)trans-133.4134.5-178.7-61.6-177.167.900110.2M630 K632 V639M595-M630 PolarHBondContact N-O 2.85Å; M595-K632 HydrophobicContact SD-CB 3.98Å; M595-V639 HydrophobicContact SD-CG1 4.09Å; M595-V639 HydrophobicContact SD-CG2 4.17Å
596A85.5Confident74.1Confident79 Ų7983.4 Ų83.465%0.65346%0.458SS*.SBendtrans-79.4-28.7175.400000112.6V607A596-V607 PolarHBondContact O-N 2.86Å
597S89.9Confident75.5Confident51 Ų5183.5 Ų83.536%0.35746%0.462SS..EExtended strand (participates in β ladder)trans-144.1159.4-179.262.40000112.2Y605 N606S597-Y605 CarbonylContact C-O 3.57Å; S597-Y605 WeakPolarHBondContact CA-O 3.49Å; S597-Y605 WeakPolarHBondContact CB-O 3.41Å; S597-N606 VanDerWaalsContact CB-OD1 3.25Å; S597-N606 WeakPolarHBondContact CB-OD1 3.47Å
598V90.8Very high77.3Confident11 Ų1179.5 Ų79.57%0.06745%0.447CS..EExtended strand (participates in β ladder)trans-139.9146175.667.10000109.9V600 Y605 M630 V639 T676V598-V600 HydrophobicContact CG1-CG2 4.2Å; V598-V600 HydrophobicContact CG2-CG2 4.16Å; V598-Y605 PolarHBondContact N-O 3.32Å; V598-Y605 PolarHBondContact O-N 3.38Å; V598-M630 HydrophobicContact CB-SD 4.14Å; V598-M630 HydrophobicContact CG1-CE 4.24Å; V598-M630 HydrophobicContact CG1-SD 3.5Å; V598-M630 VanDerWaalsContact CG1-SD 3.5Å; V598-V639 HydrophobicContact CB-CG1 4.4Å; V598-V639 HydrophobicContact CG2-CB 4.25Å; V598-V639 HydrophobicContact CG2-CG1 3.92Å; V598-V639 HydrophobicContact CG2-CG2 4.47Å; V598-T676 HydrophobicContact CG1-CG2 4.02Å; V598-T676 HydrophobicContact CG2-CG2 4.42Å
599V90.9Very high79.7Confident92 Ų9276.2 Ų76.256%0.55842%0.424SS*.EExtended strand (participates in β ladder)trans-100.9121.8172.5-172.80000108.9V603 V604V599-V603 WeakPolarHBondContact CA-O 3.4Å; V599-V604 HydrophobicContact CG2-CG2 4.32Å
600V89.3Confident82.1Confident2 Ų268.4 Ų68.41%0.01239%0.387CS..EExtended strand (participates in β ladder)trans-130.4116.9176.2-179.50000108V598 D602 V603 Y605V598-V600 HydrophobicContact CG1-CG2 4.2Å; V598-V600 HydrophobicContact CG2-CG2 4.16Å; V600-D602 PolarHBondContact O-N 2.81Å; V600-V603 PolarHBondContact N-O 2.98Å; V600-V603 PolarHBondContact O-N 2.79Å; V600-Y605 HydrophobicContact CB-CD2 4.1Å; V600-Y605 HydrophobicContact CB-CE2 3.87Å; V600-Y605 HydrophobicContact CG2-CD2 4.37Å
601R90Very high84.5Confident155 Ų15565.1 Ų65.159%0.58536%0.364SS*.THydrogen-bonded Turntrans49.955-177.4-54.1178-159.2148.214.5111.9V603 Q677R601-V603 PolarHBondContact O-N 2.86Å; R601-Q677 PolarHBondContact NH2-O 3.08Å
602D86.7Confident87Confident159 Ų15959.7 Ų59.785%0.8533%0.333SS*.THydrogen-bonded Turntrans61.26.7179-50.8-43000116.5V600V600-D602 PolarHBondContact O-N 2.81Å
603V89.5Confident88.9Confident61 Ų6157.6 Ų57.637%0.3731%0.312SS..EExtended strand (participates in β ladder)trans-103.2133.6172.8-179.70000110.4V599 V600 R601 Y605V599-V603 WeakPolarHBondContact CA-O 3.4Å; V600-V603 PolarHBondContact N-O 2.98Å; V600-V603 PolarHBondContact O-N 2.79Å; R601-V603 PolarHBondContact O-N 2.86Å; V603-Y605 HydrophobicContact CB-CD2 4.47Å; V603-Y605 HydrophobicContact CB-CE2 3.65Å; V603-Y605 HydrophobicContact CG1-CD2 4.27Å; V603-Y605 HydrophobicContact CG1-CE1 4.1Å; V603-Y605 HydrophobicContact CG1-CE2 3.64Å; V603-Y605 WeakPolarHBondContact O-CD2 3.38Å; V603-Y605 WeakPolarHBondContact O-CE2 3.35Å
604V91Very high90Very high74 Ų7456.8 Ų56.845%0.44831%0.306SS..EExtended strand (participates in β ladder)trans-87.9120.1175.8-172.40000110.1V599 K682V599-V604 HydrophobicContact CG2-CG2 4.32Å; V604-K682 WeakPolarHBondContact O-CE 3.45Å; V604-K682 PolarHBondContact O-NZ 3.25Å
605Y92.3Very high90.4Very high6 Ų651.9 Ų51.92%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-109.2137.5174.8-60.7-88.1000110.3S597 V598 V600 V603 D609 V611 I679 G681 K682S597-Y605 CarbonylContact C-O 3.57Å; S597-Y605 WeakPolarHBondContact CA-O 3.49Å; S597-Y605 WeakPolarHBondContact CB-O 3.41Å; V598-Y605 PolarHBondContact N-O 3.32Å; V598-Y605 PolarHBondContact O-N 3.38Å; V600-Y605 HydrophobicContact CB-CD2 4.1Å; V600-Y605 HydrophobicContact CB-CE2 3.87Å; V600-Y605 HydrophobicContact CG2-CD2 4.37Å; V603-Y605 HydrophobicContact CB-CD2 4.47Å; V603-Y605 HydrophobicContact CB-CE2 3.65Å; V603-Y605 HydrophobicContact CG1-CD2 4.27Å; V603-Y605 HydrophobicContact CG1-CE1 4.1Å; V603-Y605 HydrophobicContact CG1-CE2 3.64Å; V603-Y605 WeakPolarHBondContact O-CD2 3.38Å; V603-Y605 WeakPolarHBondContact O-CE2 3.35Å; Y605-D609 WeakPolarHBondContact CA-OD2 3.4Å; Y605-V611 HydrophobicContact CD1-CG1 3.49Å; Y605-V611 VanDerWaalsContact CD1-CG1 3.49Å; Y605-V611 HydrophobicContact CE1-CG1 3.86Å; Y605-I679 HydrophobicContact CD1-CG2 3.93Å; Y605-I679 HydrophobicContact CD2-CG2 4.36Å; Y605-I679 HydrophobicContact CE1-CG2 3.44Å; Y605-I679 VanDerWaalsContact CE1-CG2 3.44Å; Y605-I679 HydrophobicContact CE2-CG2 3.95Å; Y605-I679 HydrophobicContact CG-CG2 4.35Å; Y605-I679 VanDerWaalsContact CZ-CG2 3.46Å; Y605-G681 VanDerWaalsContact OH-CA 3.32Å; Y605-G681 WeakPolarHBondContact OH-CA 3.39Å; Y605-G681 PolarHBondContact OH-N 2.99Å; Y605-K682 HydrophobicContact CD1-CD 4.48Å; Y605-K682 HydrophobicContact CD1-CG 3.83Å; Y605-K682 HydrophobicContact CE1-CG 3.54Å
606N91.4Very high90.4Very high65 Ų6554.5 Ų54.535%0.34831%0.305SS..EExtended strand (participates in β ladder)trans-114.1155.6-176.3-60.2-41.4000111.4S597 G608 D609S597-N606 VanDerWaalsContact CB-OD1 3.25Å; S597-N606 WeakPolarHBondContact CB-OD1 3.47Å; N606-G608 PolarHBondContact O-N 2.89Å; N606-D609 PolarHBondContact N-OD2 3.01Å; N606-D609 WeakPolarHBondContact O-CB 3.23Å; N606-D609 PolarHBondContact O-N 2.75Å; N606-D609 VanDerWaalsContact O-N 3.1Å
607V89.1Confident90Very high50 Ų5057.4 Ų57.430%0.30331%0.305SS..THydrogen-bonded Turntrans-62.6122.4162.2175.70000108A596 K628 M630A596-V607 PolarHBondContact O-N 2.86Å; V607-K628 VanDerWaalsContact CG1-O 3.29Å; V607-K628 WeakPolarHBondContact CG1-O 3.28Å; V607-M630 HydrophobicContact CG2-CB 4.46Å; V607-M630 HydrophobicContact CG2-CE 3.75Å; V607-M630 HydrophobicContact CG2-CG 4.32Å
608G87.2Confident89.6Confident12 Ų1260 Ų6012%0.12433%0.329CS..THydrogen-bonded Turntrans109.1-13.1-170.700000114.7N606 F626 L627N606-G608 PolarHBondContact O-N 2.89Å; G608-F626 WeakPolarHBondContact O-CE2 3.48Å; G608-L627 PolarHBondContact N-O 3.35Å
609D91.6Very high88.9Confident30 Ų3062.1 Ų62.116%0.1635%0.353CS..  trans-75.1145.8176.2-72.2-16.6000112.1Y605 N606 V611 L627 K682Y605-D609 WeakPolarHBondContact CA-OD2 3.4Å; N606-D609 PolarHBondContact N-OD2 3.01Å; N606-D609 WeakPolarHBondContact O-CB 3.23Å; N606-D609 PolarHBondContact O-N 2.75Å; N606-D609 VanDerWaalsContact O-N 3.1Å; D609-V611 HydrophobicContact CB-CG1 4.2Å; D609-L627 HydrophobicContact CB-CD1 4.3Å; D609-L627 WeakPolarHBondContact O-CB 3.16Å; D609-L627 PolarHBondContact O-N 3.12Å; D609-K682 IonicContact OD1-NZ 3.93Å; D609-K682 WeakPolarHBondContact OD2-CE 3.37Å; D609-K682 IonicContact OD2-NZ 2.77Å; D609-K682 PolarHBondContact OD2-NZ 2.81Å
610F94Very high88.5Confident3 Ų361.9 Ų61.91%0.01335%0.348CS..EExtended strand (participates in β ladder)trans-87.6134.1159.9-67.8-87.4000109.5I624 L625 F626 F646 C683 Y684 V685 W722F610-I624 HydrophobicContact CD1-CG2 4.47Å; F610-L625 WeakPolarHBondContact CA-O 3.48Å; F610-F626 HydrophobicContact CD1-CB 3.9Å; F610-F626 AromaticContact CD1-CD2 3.93Å; F610-F626 HydrophobicContact CD1-CD2 3.93Å; F610-F626 HydrophobicContact CD1-CG 4.41Å; F610-F626 HydrophobicContact CD2-CD2 4.1Å; F610-F626 HydrophobicContact CE1-CB 3.75Å; F610-F626 AromaticContact CE1-CD2 3.62Å; F610-F626 HydrophobicContact CE1-CD2 3.62Å; F610-F626 HydrophobicContact CE1-CG 4.05Å; F610-F626 AromaticContact CE2-CD2 3.79Å; F610-F626 HydrophobicContact CE2-CD2 3.79Å; F610-F626 HydrophobicContact CE2-CE2 4.13Å; F610-F626 HydrophobicContact CG-CD2 4.16Å; F610-F626 HydrophobicContact CZ-CB 4.49Å; F610-F626 AromaticContact CZ-CD2 3.54Å; F610-F626 HydrophobicContact CZ-CD2 3.54Å; F610-F626 HydrophobicContact CZ-CE2 4.13Å; F610-F626 HydrophobicContact CZ-CG 4.31Å; F610-F646 HydrophobicContact CD1-CE2 4.43Å; F610-F646 HydrophobicContact CE1-CD2 4.27Å; F610-F646 HydrophobicContact CE1-CE1 4.23Å; F610-F646 AromaticContact CE1-CE2 3.71Å; F610-F646 HydrophobicContact CE1-CE2 3.71Å; F610-F646 AromaticContact CE1-CZ 3.68Å; F610-F646 HydrophobicContact CE1-CZ 3.68Å; F610-F646 HydrophobicContact CZ-CZ 4.35Å; F610-C683 WeakPolarHBondContact CB-O 3.34Å; F610-C683 PolarHBondContact O-N 2.85Å; F610-C683 VanDerWaalsContact O-O 3.13Å; F610-Y684 HydrophobicContact CD2-CD2 4.32Å; F610-Y684 HydrophobicContact CD2-CE2 4.49Å; F610-V685 HydrophobicContact CD1-CB 3.92Å; F610-V685 HydrophobicContact CD1-CG2 3.47Å; F610-V685 VanDerWaalsContact CD1-CG2 3.47Å; F610-V685 HydrophobicContact CD2-CB 4.42Å; F610-V685 HydrophobicContact CE1-CB 3.64Å; F610-V685 HydrophobicContact CE1-CG2 3.63Å; F610-V685 HydrophobicContact CE2-CB 4.17Å; F610-V685 HydrophobicContact CG-CB 4.31Å; F610-V685 HydrophobicContact CG-CG2 3.97Å; F610-V685 HydrophobicContact CZ-CB 3.78Å; F610-V685 HydrophobicContact CZ-CG2 4.27Å; F610-W722 HydrophobicContact CZ-CZ2 4.13Å
611V94.7Very high88.3Confident0 Ų067.4 Ų67.40%037%0.374CS..EExtended strand (participates in β ladder)trans-136.3150.6-175.3-59.50000113.1Y605 D609 V613 L625 L627 I679 G681Y605-V611 HydrophobicContact CD1-CG1 3.49Å; Y605-V611 VanDerWaalsContact CD1-CG1 3.49Å; Y605-V611 HydrophobicContact CE1-CG1 3.86Å; D609-V611 HydrophobicContact CB-CG1 4.2Å; V611-V613 HydrophobicContact CG2-CG2 4.26Å; V611-L625 HydrophobicContact CG2-CB 4.14Å; V611-L625 PolarHBondContact N-O 2.8Å; V611-L625 PolarHBondContact O-N 3.04Å; V611-L627 HydrophobicContact CG1-CD1 3.75Å; V611-L627 HydrophobicContact CG1-CG 4.08Å; V611-L627 HydrophobicContact CG2-CD1 4.31Å; V611-L627 HydrophobicContact CG2-CD2 3.92Å; V611-L627 HydrophobicContact CG2-CG 3.93Å; V611-I679 HydrophobicContact CB-CG2 3.99Å; V611-I679 HydrophobicContact CG1-CG2 4.2Å; V611-I679 HydrophobicContact CG2-CD1 4.46Å; V611-I679 HydrophobicContact CG2-CG1 4.28Å; V611-I679 HydrophobicContact CG2-CG2 4.4Å; V611-G681 WeakPolarHBondContact CA-O 3.3Å
612Y95.7Very high88.4Confident29 Ų2962 Ų6211%0.11436%0.359CS..EExtended strand (participates in β ladder)trans-80.7134.6166-67.5-58.2000111.3P622 H623 I624 I679 M680 G681 C683 D701 Y703Y612-P622 HydrophobicContact CD1-CB 4.1Å; Y612-P622 HydrophobicContact CG-CB 4.31Å; Y612-H623 CarbonylContact C-O 3.58Å; Y612-H623 WeakPolarHBondContact CA-O 3.31Å; Y612-I624 HydrophobicContact CD1-CG1 4.06Å; Y612-I624 HydrophobicContact CE1-CG1 4.02Å; Y612-I679 WeakPolarHBondContact O-CA 3.31Å; Y612-M680 PolarHBondContact O-N 3.46Å; Y612-G681 PolarHBondContact N-O 3.41Å; Y612-C683 HydrophobicContact CD1-CB 4.42Å; Y612-C683 HydrophobicContact CD2-CB 4.2Å; Y612-C683 HydrophobicContact CE1-CB 3.97Å; Y612-C683 HydrophobicContact CE2-CB 3.76Å; Y612-D701 WeakPolarHBondContact CE2-OD1 3.41Å; Y612-D701 VanDerWaalsContact CZ-OD1 3.27Å; Y612-D701 PolarHBondContact OH-OD1 2.88Å; Y612-Y703 AromaticContact CE1-CE2 3.92Å; Y612-Y703 HydrophobicContact CE1-CE2 3.92Å; Y612-Y703 AromaticContact CZ-CE2 3.95Å; Y612-Y703 VanDerWaalsContact OH-CE2 3.3Å; Y612-Y703 WeakPolarHBondContact OH-CE2 3.5Å; Y612-Y703 PolarHBondContact OH-OH 3.06Å
613V94.3Very high88.8Confident0 Ų056 Ų560%033%0.326CS..EExtended strand (participates in β ladder)trans-116.7129.7178.4-174.30000109.9V611 P615 H623 L625 W645 I674 R678V611-V613 HydrophobicContact CG2-CG2 4.26Å; V613-P615 WeakPolarHBondContact O-CD 3.47Å; V613-H623 PolarHBondContact N-O 2.93Å; V613-H623 PolarHBondContact O-N 2.89Å; V613-L625 HydrophobicContact CG2-CB 3.61Å; V613-L625 HydrophobicContact CG2-CD2 4.11Å; V613-L625 HydrophobicContact CG2-CG 4.46Å; V613-W645 HydrophobicContact CB-CH2 4.47Å; V613-W645 HydrophobicContact CB-CZ3 4.39Å; V613-W645 HydrophobicContact CG1-CH2 4.13Å; V613-I674 HydrophobicContact CG1-CD1 4.01Å; V613-I674 HydrophobicContact CG1-CG2 4.24Å; V613-I674 HydrophobicContact CG2-CD1 3.72Å; V613-R678 HydrophobicContact CG1-CB 4.1Å
614K92.3Very high89Confident126 Ų12653.1 Ų53.155%0.54831%0.308SS..  trans-59.7124.8176.7-170.9179.4176.2-177.30110.6R678 M680K614-R678 PolarHBondContact N-O 2.73Å; K614-R678 PolarHBondContact O-NE 2.87Å; K614-R678 PolarHBondContact O-NH2 3.42Å; K614-M680 WeakPolarHBondContact CA-SD 3.28Å; K614-M680 HydrophobicContact CB-CG 3.96Å; K614-M680 HydrophobicContact CB-SD 3.64Å; K614-M680 HydrophobicContact CG-SD 4.03Å
615P88.6Confident89.2Confident19 Ų1949.6 Ų49.612%0.12329%0.287CS..  trans-60.4155.3176.6-25.137.1000112.3V613 L620 Q621V613-P615 WeakPolarHBondContact O-CD 3.47Å; P615-L620 HydrophobicContact CB-CB 3.94Å; P615-L620 HydrophobicContact CG-CB 4.05Å; P615-Q621 WeakPolarHBondContact CG-O 3.43Å
616T83.2Confident89.3Confident121 Ų12150 Ų5074%0.74229%0.289SS*.SBendtrans-76.3-34.2175.4-48.40000111.1R678T616-R678 PolarHBondContact OG1-NH2 3.12Å
617E77.9Confident89.3Confident139 Ų13946.9 Ų46.965%0.6527%0.272SS*.SBendtrans-96.6144.8178.2-66171.5-161.700111.5L620E617-L620 HydrophobicContact CB-CD1 3.93Å; E617-L620 HydrophobicContact CB-CG 4.35Å
618A80.2Confident89.4Confident105 Ų10549.6 Ų49.687%0.86828%0.28SS*.THydrogen-bonded Turntrans-73.9141.4177.600000111.6
619G78.1Confident89.5Confident56 Ų5653.6 Ų53.658%0.57729%0.291SS*.THydrogen-bonded Turntrans85.68.8174.900000116.1R752G619-R752 PolarHBondContact O-NH2 2.94Å
620L81.7Confident89.5Confident87 Ų8752.3 Ų52.346%0.45528%0.284SS..PPolyproline II helixtrans-92.7157.7166.7-60.6-177.3000111.5P615 E617P615-L620 HydrophobicContact CB-CB 3.94Å; P615-L620 HydrophobicContact CG-CB 4.05Å; E617-L620 HydrophobicContact CB-CD1 3.93Å; E617-L620 HydrophobicContact CB-CG 4.35Å
621Q85.3Confident89.3Confident119 Ų11954.4 Ų54.456%0.55629%0.292SS*.PPolyproline II helixtrans-74.2150.6172.6-68.9-172.92.500111.3P615 H623 R648P615-Q621 WeakPolarHBondContact CG-O 3.43Å; Q621-H623 PolarHBondContact O-N 2.66Å; Q621-R648 VanDerWaalsContact OE1-CD 3.31Å
622P92.5Very high88.9Confident41 Ų4157.6 Ų57.627%0.26631%0.306SS..PPolyproline II helixtrans-56.8128.3170.7-22.933.9000112.1Y612 R648 M680Y612-P622 HydrophobicContact CD1-CB 4.1Å; Y612-P622 HydrophobicContact CG-CB 4.31Å; P622-R648 PolarHBondContact O-NH2 3.46Å; P622-M680 HydrophobicContact CB-SD 4.18Å; P622-M680 HydrophobicContact CG-CE 4.04Å; P622-M680 HydrophobicContact CG-SD 4.03Å
623H93.3Very high87.9Confident34 Ų3457.8 Ų57.816%0.15731%0.31CS..EExtended strand (participates in β ladder)trans-76.7160.9176.7-52.8-76.4000110.7Y612 V613 Q621 W645 E651Y612-H623 CarbonylContact C-O 3.58Å; Y612-H623 WeakPolarHBondContact CA-O 3.31Å; V613-H623 PolarHBondContact N-O 2.93Å; V613-H623 PolarHBondContact O-N 2.89Å; Q621-H623 PolarHBondContact O-N 2.66Å; H623-W645 HydrophobicContact CB-CE3 3.73Å; H623-W645 HydrophobicContact CB-CZ3 3.46Å; H623-W645 VanDerWaalsContact CB-CZ3 3.46Å; H623-W645 AromaticContact CD2-CZ3 3.83Å; H623-W645 AromaticContact CG-CZ3 3.76Å; H623-E651 IonicContact CE1-OE1 2.8Å; H623-E651 PolarHBondContact CE1-OE1 3.13Å; H623-E651 IonicContact CG-OE1 2.8Å; H623-E651 IonicContact ND1-OE1 3.45Å; H623-E651 PolarHBondContact ND1-OE1 3.35Å
624I95.4Very high86Confident0 Ų061 Ų610%034%0.343CS..EExtended strand (participates in β ladder)trans-109.2130.6-179.5-63.1161.6000109.8F610 Y612 F646 V665 V685 Y703F610-I624 HydrophobicContact CD1-CG2 4.47Å; Y612-I624 HydrophobicContact CD1-CG1 4.06Å; Y612-I624 HydrophobicContact CE1-CG1 4.02Å; I624-F646 HydrophobicContact CB-CB 4.02Å; I624-F646 HydrophobicContact CG2-CB 3.9Å; I624-F646 HydrophobicContact CG2-CG 4.42Å; I624-F646 PolarHBondContact O-N 3.13Å; I624-V665 HydrophobicContact CD1-CG1 3.86Å; I624-V685 HydrophobicContact CG2-CG2 4Å; I624-Y703 HydrophobicContact CD1-CD1 4.03Å; I624-Y703 HydrophobicContact CD1-CD2 3.68Å; I624-Y703 HydrophobicContact CD1-CE1 4.01Å; I624-Y703 HydrophobicContact CD1-CE2 3.67Å; I624-Y703 HydrophobicContact CD1-CG 3.87Å; I624-Y703 HydrophobicContact CG1-CE2 4.49Å
625L94.5Very high84.4Confident0 Ų064 Ų640%036%0.359CS..EExtended strand (participates in β ladder)trans-129.9133.6-179.7-170.581.7000110.7F610 V611 V613 L627 N644 W645 I674F610-L625 WeakPolarHBondContact CA-O 3.48Å; V611-L625 HydrophobicContact CG2-CB 4.14Å; V611-L625 PolarHBondContact N-O 2.8Å; V611-L625 PolarHBondContact O-N 3.04Å; V613-L625 HydrophobicContact CG2-CB 3.61Å; V613-L625 HydrophobicContact CG2-CD2 4.11Å; V613-L625 HydrophobicContact CG2-CG 4.46Å; L625-L627 HydrophobicContact CD2-CD2 4.07Å; L625-N644 WeakPolarHBondContact CA-O 3.28Å; L625-W645 HydrophobicContact CD1-CD2 3.74Å; L625-W645 HydrophobicContact CD1-CE3 4.42Å; L625-W645 HydrophobicContact CD1-CG 3.82Å; L625-W645 HydrophobicContact CD1-CZ2 4.3Å; L625-I674 HydrophobicContact CD2-CD1 3.63Å; L625-I674 HydrophobicContact CD2-CG1 3.99Å; L625-I674 HydrophobicContact CD2-CG2 4.46Å
626F94.4Very high83.1Confident14 Ų1470.1 Ų70.16%0.06138%0.384CS..EExtended strand (participates in β ladder)trans-90.5115.9168.6177.5-104.3000110.5G608 F610 K628 G643 N644 F646 M724G608-F626 WeakPolarHBondContact O-CE2 3.48Å; F610-F626 HydrophobicContact CD1-CB 3.9Å; F610-F626 AromaticContact CD1-CD2 3.93Å; F610-F626 HydrophobicContact CD1-CD2 3.93Å; F610-F626 HydrophobicContact CD1-CG 4.41Å; F610-F626 HydrophobicContact CD2-CD2 4.1Å; F610-F626 HydrophobicContact CE1-CB 3.75Å; F610-F626 AromaticContact CE1-CD2 3.62Å; F610-F626 HydrophobicContact CE1-CD2 3.62Å; F610-F626 HydrophobicContact CE1-CG 4.05Å; F610-F626 AromaticContact CE2-CD2 3.79Å; F610-F626 HydrophobicContact CE2-CD2 3.79Å; F610-F626 HydrophobicContact CE2-CE2 4.13Å; F610-F626 HydrophobicContact CG-CD2 4.16Å; F610-F626 HydrophobicContact CZ-CB 4.49Å; F610-F626 AromaticContact CZ-CD2 3.54Å; F610-F626 HydrophobicContact CZ-CD2 3.54Å; F610-F626 HydrophobicContact CZ-CE2 4.13Å; F610-F626 HydrophobicContact CZ-CG 4.31Å; F626-K628 PolarHBondContact O-N 2.8Å; F626-G643 CarbonylContact O-C 3.57Å; F626-G643 WeakPolarHBondContact O-CA 3.44Å; F626-N644 PolarHBondContact N-O 2.86Å; F626-N644 PolarHBondContact O-N 2.67Å; F626-N644 VanDerWaalsContact O-N 3.12Å; F626-F646 HydrophobicContact CB-CE2 3.93Å; F626-M724 HydrophobicContact CD1-SD 3.74Å; F626-M724 HydrophobicContact CD2-SD 4.49Å; F626-M724 HydrophobicContact CE1-SD 3.84Å; F626-M724 HydrophobicContact CE2-CB 4.44Å; F626-M724 HydrophobicContact CG-SD 4.09Å; F626-M724 HydrophobicContact CZ-CB 4.34Å; F626-M724 HydrophobicContact CZ-SD 4.25Å
627L92.2Very high81.9Confident0 Ų072.7 Ų72.70%038%0.381CS..EExtended strand (participates in β ladder)trans-72.4107.8-176.6-66.6-176.5000111.6G608 D609 V611 L625 M630 A641 I679G608-L627 PolarHBondContact N-O 3.35Å; D609-L627 HydrophobicContact CB-CD1 4.3Å; D609-L627 WeakPolarHBondContact O-CB 3.16Å; D609-L627 PolarHBondContact O-N 3.12Å; V611-L627 HydrophobicContact CG1-CD1 3.75Å; V611-L627 HydrophobicContact CG1-CG 4.08Å; V611-L627 HydrophobicContact CG2-CD1 4.31Å; V611-L627 HydrophobicContact CG2-CD2 3.92Å; V611-L627 HydrophobicContact CG2-CG 3.93Å; L625-L627 HydrophobicContact CD2-CD2 4.07Å; L627-M630 HydrophobicContact CD1-SD 4.27Å; L627-A641 HydrophobicContact CD2-CB 3.76Å; L627-I679 HydrophobicContact CD1-CD1 4.4Å; L627-I679 HydrophobicContact CD2-CD1 4.41Å
628K89.6Confident82Confident106 Ų10670 Ų7046%0.46137%0.368SS..EExtended strand (participates in β ladder)trans-99.3-30.9-175.5-168.2165.5-174.7166.30114.3V607 F626 Y642 F671V607-K628 VanDerWaalsContact CG1-O 3.29Å; V607-K628 WeakPolarHBondContact CG1-O 3.28Å; F626-K628 PolarHBondContact O-N 2.8Å; K628-Y642 WeakPolarHBondContact CA-O 3.47Å; K628-Y642 HydrophobicContact CB-CD1 4.43Å; K628-Y642 WeakPolarHBondContact CB-O 3.48Å; K628-Y642 PolarHBondContact N-O 3.23Å; K628-F671 HydrophobicContact CD-CE1 4.08Å
629R90.3Very high82.3Confident97 Ų9766 Ų6637%0.36633%0.333SS..EExtended strand (participates in β ladder)trans-152.1151.3174.2-68.5178.471.4-149.310.4110.3E594 W631 A641 Y642E594-R629 IonicContact OE1-CZ 2.84Å; E594-R629 VanDerWaalsContact OE1-CZ 3.26Å; E594-R629 IonicContact OE1-NE 3.53Å; E594-R629 PolarHBondContact OE1-NE 3.45Å; E594-R629 IonicContact OE1-NH2 2.78Å; E594-R629 PolarHBondContact OE1-NH2 3.33Å; R629-W631 HydrophobicContact CB-CE3 4.48Å; R629-W631 HydrophobicContact CB-CZ3 4.39Å; R629-A641 WeakPolarHBondContact O-CA 3.41Å; R629-Y642 PolarHBondContact N-O 2.87Å; R629-Y642 VanDerWaalsContact N-O 3.09Å; R629-Y642 PolarHBondContact O-N 3.26Å
630M91.7Very high82.9Confident2 Ų264.8 Ų64.81%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-136.9145.2170-64.6-174.8-72.700110.9M595 V598 V607 L627 L640 A641 T676M595-M630 PolarHBondContact N-O 2.85Å; V598-M630 HydrophobicContact CB-SD 4.14Å; V598-M630 HydrophobicContact CG1-CE 4.24Å; V598-M630 HydrophobicContact CG1-SD 3.5Å; V598-M630 VanDerWaalsContact CG1-SD 3.5Å; V607-M630 HydrophobicContact CG2-CB 4.46Å; V607-M630 HydrophobicContact CG2-CE 3.75Å; V607-M630 HydrophobicContact CG2-CG 4.32Å; L627-M630 HydrophobicContact CD1-SD 4.27Å; M630-L640 VanDerWaalsContact CA-O 3.3Å; M630-L640 WeakPolarHBondContact CA-O 3.43Å; M630-A641 HydrophobicContact CG-CB 3.91Å; M630-A641 HydrophobicContact SD-CB 4.48Å; M630-T676 HydrophobicContact SD-CG2 4.43Å
631W89.8Confident83.3Confident47 Ų4760.6 Ų60.618%0.17829%0.291CS..EExtended strand (participates in β ladder)trans-154.9157176.867.197.6000111.8Q593 R629 L640Q593-W631 CarbonylContact O-C 3.5Å; Q593-W631 VanDerWaalsContact O-CA 3.25Å; Q593-W631 WeakPolarHBondContact O-CA 2.88Å; Q593-W631 WeakPolarHBondContact O-CB 3.42Å; R629-W631 HydrophobicContact CB-CE3 4.48Å; R629-W631 HydrophobicContact CB-CZ3 4.39Å; W631-L640 HydrophobicContact CD2-CB 4.39Å; W631-L640 HydrophobicContact CH2-CB 4.27Å; W631-L640 HydrophobicContact CZ2-CB 3.83Å; W631-L640 HydrophobicContact CZ2-CD1 4.01Å; W631-L640 PolarHBondContact N-O 3.15Å; W631-L640 PolarHBondContact O-N 2.86Å
632K85.3Confident83.6Confident68 Ų6856.5 Ų56.530%0.29627%0.271SS..EExtended strand (participates in β ladder)trans-99.9130176.2-174.1178.1177.7-174.50110.7G592 Q593 M595 Y637 V639G592-K632 WeakPolarHBondContact CA-O 3.42Å; Q593-K632 PolarHBondContact N-O 3.22Å; Q593-K632 VanDerWaalsContact N-O 3.13Å; Q593-K632 PolarHBondContact O-N 3.34Å; M595-K632 HydrophobicContact SD-CB 3.98Å; K632-Y637 VanDerWaalsContact CE-CD1 3.43Å; K632-Y637 VanDerWaalsContact NZ-CD1 3.3Å; K632-V639 HydrophobicContact CB-CG2 4.38Å; K632-V639 HydrophobicContact CG-CG2 4.35Å
633T74.8Confident83.5Confident33 Ų3354.5 Ų54.520%0.20226%0.258CS..  trans-86.6145.917951.90000112.3E635 E638 L640T633-E635 PolarHBondContact O-N 2.92Å; T633-E638 PolarHBondContact N-O 3.27Å; T633-E638 PolarHBondContact OG1-O 2.93Å; T633-L640 HydrophobicContact CG2-CD1 3.83Å; T633-L640 HydrophobicContact CG2-CG 4.32Å
634G55.8Low83.5Confident66 Ų6653.1 Ų53.168%0.6825%0.252SS*.THydrogen-bonded Turntrans-71.6-22.4-164.700000116.8
635E58.2Low83.4Confident191 Ų19153.9 Ų53.989%0.89326%0.255SS*.THydrogen-bonded Turntrans-105.3-24-169.5-62.8-170.7147.800114.9T633T633-E635 PolarHBondContact O-N 2.92Å
636K60.7Low83.4Confident146 Ų14653.9 Ų53.964%0.63526%0.255SS*.THydrogen-bonded Turntrans-123.1-0.3-173.8-71-167.7179.5179.30115.9E638K636-E638 HydrophobicContact CB-CB 4.49Å; K636-E638 HydrophobicContact CB-CG 3.9Å; K636-E638 WeakPolarHBondContact CD-OE1 3.24Å; K636-E638 PolarHBondContact O-N 3.02Å
637Y58.7Low83.4Confident176 Ų17656 Ų5669%0.6926%0.263SS*.  trans60.66.1-173.2-68.2-107.8000114.9K632K632-Y637 VanDerWaalsContact CE-CD1 3.43Å; K632-Y637 VanDerWaalsContact NZ-CD1 3.3Å
638E79Confident83.5Confident82 Ų8257.4 Ų57.438%0.38327%0.268SS..  trans-63.6137.1174.6-69.2166.4-16900110.3T633 K636T633-E638 PolarHBondContact N-O 3.27Å; T633-E638 PolarHBondContact OG1-O 2.93Å; K636-E638 HydrophobicContact CB-CB 4.49Å; K636-E638 HydrophobicContact CB-CG 3.9Å; K636-E638 WeakPolarHBondContact CD-OE1 3.24Å; K636-E638 PolarHBondContact O-N 3.02Å
639V88Confident83.5Confident21 Ų2153.2 Ų53.213%0.12725%0.251CS..EExtended strand (participates in β ladder)trans-105116.2174.4-175.70000107.9M595 V598 K632 T676M595-V639 HydrophobicContact SD-CG1 4.09Å; M595-V639 HydrophobicContact SD-CG2 4.17Å; V598-V639 HydrophobicContact CB-CG1 4.4Å; V598-V639 HydrophobicContact CG2-CB 4.25Å; V598-V639 HydrophobicContact CG2-CG1 3.92Å; V598-V639 HydrophobicContact CG2-CG2 4.47Å; K632-V639 HydrophobicContact CB-CG2 4.38Å; K632-V639 HydrophobicContact CG-CG2 4.35Å; V639-T676 HydrophobicContact CB-CG2 4.34Å; V639-T676 HydrophobicContact CG1-CG2 3.99Å; V639-T676 WeakPolarHBondContact O-CB 3.43Å; V639-T676 VanDerWaalsContact O-CG2 3.28Å; V639-T676 WeakPolarHBondContact O-CG2 3.47Å; V639-T676 PolarHBondContact O-N 3.08Å; V639-T676 VanDerWaalsContact O-N 3.1Å; V639-T676 PolarHBondContact O-OG1 2.58Å
640L90.5Very high83.3Confident30 Ų3051.8 Ų51.816%0.15726%0.257CS..EExtended strand (participates in β ladder)trans-96.8141.5178.8-63.6-179.5000110.2M630 W631 T633 I674M630-L640 VanDerWaalsContact CA-O 3.3Å; M630-L640 WeakPolarHBondContact CA-O 3.43Å; W631-L640 HydrophobicContact CD2-CB 4.39Å; W631-L640 HydrophobicContact CH2-CB 4.27Å; W631-L640 HydrophobicContact CZ2-CB 3.83Å; W631-L640 HydrophobicContact CZ2-CD1 4.01Å; W631-L640 PolarHBondContact N-O 3.15Å; W631-L640 PolarHBondContact O-N 2.86Å; T633-L640 HydrophobicContact CG2-CD1 3.83Å; T633-L640 HydrophobicContact CG2-CG 4.32Å; L640-I674 WeakPolarHBondContact CA-O 3.48Å
641A90.4Very high83.2Confident0 Ų054.3 Ų54.30%027%0.268CS..EExtended strand (participates in β ladder)trans-112.6148.8169.700000110.5L627 R629 M630 K673 I674 T676L627-A641 HydrophobicContact CD2-CB 3.76Å; R629-A641 WeakPolarHBondContact O-CA 3.41Å; M630-A641 HydrophobicContact CG-CB 3.91Å; M630-A641 HydrophobicContact SD-CB 4.48Å; A641-K673 CarbonylContact O-C 3.59Å; A641-K673 VanDerWaalsContact O-CA 3.27Å; A641-K673 WeakPolarHBondContact O-CA 3.33Å; A641-I674 HydrophobicContact CB-CG1 3.93Å; A641-I674 PolarHBondContact N-O 2.94Å; A641-I674 PolarHBondContact O-N 3.25Å; A641-T676 HydrophobicContact CB-CG2 3.84Å
642Y91.4Very high83.2Confident32 Ų3252.6 Ų52.613%0.12526%0.263CS..EExtended strand (participates in β ladder)trans-128.3131.7174.4173.1-96000109.7L544 K628 R629 F671 D672L544-Y642 WeakPolarHBondContact CD2-OH 3.48Å; K628-Y642 WeakPolarHBondContact CA-O 3.47Å; K628-Y642 HydrophobicContact CB-CD1 4.43Å; K628-Y642 WeakPolarHBondContact CB-O 3.48Å; K628-Y642 PolarHBondContact N-O 3.23Å; R629-Y642 PolarHBondContact N-O 2.87Å; R629-Y642 VanDerWaalsContact N-O 3.09Å; R629-Y642 PolarHBondContact O-N 3.26Å; Y642-F671 AromaticContact CE1-CD1 3.87Å; Y642-F671 HydrophobicContact CE1-CD1 3.87Å; Y642-F671 HydrophobicContact CE2-CB 3.88Å; Y642-F671 AromaticContact CZ-CD1 3.79Å; Y642-F671 VanDerWaalsContact OH-CB 3.24Å; Y642-F671 WeakPolarHBondContact OH-CB 3.47Å; Y642-F671 WeakPolarHBondContact OH-CG 3.37Å; Y642-D672 WeakPolarHBondContact CA-O 3.42Å; Y642-D672 WeakPolarHBondContact CD2-O 3.44Å
643G89.7Confident83Confident0 Ų055.4 Ų55.40%028%0.275CS..EExtended strand (participates in β ladder)trans-155.3175.8-170.900000114.8F626 F671 D672F626-G643 CarbonylContact O-C 3.57Å; F626-G643 WeakPolarHBondContact O-CA 3.44Å; G643-F671 VanDerWaalsContact O-CA 3.24Å; G643-F671 WeakPolarHBondContact O-CA 3.43Å; G643-F671 WeakPolarHBondContact O-CB 3.32Å; G643-F671 VanDerWaalsContact O-CD1 3.29Å; G643-F671 WeakPolarHBondContact O-CD1 3.46Å; G643-D672 PolarHBondContact N-O 2.82Å; G643-D672 PolarHBondContact O-N 3.29Å
644N92.8Very high83.4Confident4 Ų456.1 Ų56.12%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-102135.1175-179.4-99.6000110.4L625 F626 F646 I667 T668 F670 F671L625-N644 WeakPolarHBondContact CA-O 3.28Å; F626-N644 PolarHBondContact N-O 2.86Å; F626-N644 PolarHBondContact O-N 2.67Å; F626-N644 VanDerWaalsContact O-N 3.12Å; N644-F646 WeakPolarHBondContact OD1-CE2 3.33Å; N644-I667 WeakPolarHBondContact OD1-CG1 3.45Å; N644-T668 PolarHBondContact ND2-O 2.63Å; N644-F670 PolarHBondContact ND2-O 3.46Å; N644-F671 HydrophobicContact CB-CD1 3.94Å; N644-F671 HydrophobicContact CB-CE1 3.57Å; N644-F671 HydrophobicContact CB-CZ 3.91Å; N644-F671 VanDerWaalsContact ND2-CE2 3.31Å; N644-F671 WeakPolarHBondContact ND2-CE2 3.42Å; N644-F671 VanDerWaalsContact ND2-CZ 3.35Å; N644-F671 WeakPolarHBondContact ND2-CZ 3.46Å
645W93.7Very high84.4Confident17 Ų1757.2 Ų57.26%0.06427%0.27CS..EExtended strand (participates in β ladder)trans-87.9141.5-179.3-62.680.2000112.1V613 H623 L625 Y647 T668 F670 D672 I674V613-W645 HydrophobicContact CB-CH2 4.47Å; V613-W645 HydrophobicContact CB-CZ3 4.39Å; V613-W645 HydrophobicContact CG1-CH2 4.13Å; H623-W645 HydrophobicContact CB-CE3 3.73Å; H623-W645 HydrophobicContact CB-CZ3 3.46Å; H623-W645 VanDerWaalsContact CB-CZ3 3.46Å; H623-W645 AromaticContact CD2-CZ3 3.83Å; H623-W645 AromaticContact CG-CZ3 3.76Å; L625-W645 HydrophobicContact CD1-CD2 3.74Å; L625-W645 HydrophobicContact CD1-CE3 4.42Å; L625-W645 HydrophobicContact CD1-CG 3.82Å; L625-W645 HydrophobicContact CD1-CZ2 4.3Å; W645-Y647 HydrophobicContact CB-CD1 4.5Å; W645-Y647 HydrophobicContact CB-CE1 4.16Å; W645-T668 WeakPolarHBondContact O-CB 3.33Å; W645-T668 WeakPolarHBondContact O-CG2 3.39Å; W645-T668 PolarHBondContact O-N 3.29Å; W645-T668 VanDerWaalsContact O-N 3.12Å; W645-T668 PolarHBondContact O-OG1 2.99Å; W645-F670 HydrophobicContact CB-CD1 4.05Å; W645-F670 AromaticContact CD1-CD1 3.19Å; W645-F670 AromaticContact CD1-CE1 3.57Å; W645-F670 AromaticContact CD1-CG 3.97Å; W645-F670 HydrophobicContact CD2-CD1 4.21Å; W645-F670 HydrophobicContact CD2-CE1 4.24Å; W645-F670 AromaticContact CE2-CE1 3.89Å; W645-F670 AromaticContact CG-CD1 3.58Å; W645-F670 HydrophobicContact CG-CD1 3.58Å; W645-F670 HydrophobicContact CG-CE1 4.06Å; W645-F670 PolarHBondContact N-O 3.1Å; W645-F670 VanDerWaalsContact N-O 3.1Å; W645-F670 AromaticContact NE1-CD1 3.61Å; W645-F670 AromaticContact NE1-CE1 3.44Å; W645-D672 HydrophobicContact CZ2-CB 4.1Å; W645-I674 HydrophobicContact CH2-CG2 4.31Å; W645-I674 HydrophobicContact CZ2-CG2 3.98Å
646F95.4Very high84.9Confident0 Ų052.6 Ų52.60%027%0.265CS..EExtended strand (participates in β ladder)trans-113.8124.6174.3-76.7-111000109.2F610 I624 F626 N644 V665 F666 I667 V685 C705 W722F610-F646 HydrophobicContact CD1-CE2 4.43Å; F610-F646 HydrophobicContact CE1-CD2 4.27Å; F610-F646 HydrophobicContact CE1-CE1 4.23Å; F610-F646 AromaticContact CE1-CE2 3.71Å; F610-F646 HydrophobicContact CE1-CE2 3.71Å; F610-F646 AromaticContact CE1-CZ 3.68Å; F610-F646 HydrophobicContact CE1-CZ 3.68Å; F610-F646 HydrophobicContact CZ-CZ 4.35Å; I624-F646 HydrophobicContact CB-CB 4.02Å; I624-F646 HydrophobicContact CG2-CB 3.9Å; I624-F646 HydrophobicContact CG2-CG 4.42Å; I624-F646 PolarHBondContact O-N 3.13Å; F626-F646 HydrophobicContact CB-CE2 3.93Å; N644-F646 WeakPolarHBondContact OD1-CE2 3.33Å; F646-V665 HydrophobicContact CB-CB 4.45Å; F646-V665 HydrophobicContact CD1-CG2 4.01Å; F646-F666 CarbonylContact C-O 3.53Å; F646-F666 WeakPolarHBondContact CA-O 3.17Å; F646-I667 HydrophobicContact CD1-CB 4.11Å; F646-I667 HydrophobicContact CE1-CB 3.56Å; F646-I667 HydrophobicContact CE1-CG1 4.04Å; F646-I667 HydrophobicContact CE2-CB 4.45Å; F646-I667 HydrophobicContact CE2-CG1 4.1Å; F646-I667 HydrophobicContact CZ-CB 3.74Å; F646-I667 HydrophobicContact CZ-CD1 4.05Å; F646-I667 HydrophobicContact CZ-CG1 3.66Å; F646-V685 HydrophobicContact CD1-CG1 4Å; F646-V685 HydrophobicContact CD1-CG2 4.29Å; F646-V685 HydrophobicContact CE1-CB 4.46Å; F646-V685 HydrophobicContact CE1-CG1 3.87Å; F646-C705 HydrophobicContact CE1-CB 4.43Å; F646-W722 HydrophobicContact CE1-CH2 4.4Å
647Y94.3Very high85.5Confident58 Ų5851.2 Ų51.223%0.22727%0.268CS..EExtended strand (participates in β ladder)trans-98.2137.2-176.5-77.811.2000111.2W645 E651 V665 F666 T668 Y709W645-Y647 HydrophobicContact CB-CD1 4.5Å; W645-Y647 HydrophobicContact CB-CE1 4.16Å; Y647-E651 HydrophobicContact CD1-CB 4.49Å; Y647-E651 HydrophobicContact CD2-CB 3.96Å; Y647-E651 VanDerWaalsContact CD2-O 3.27Å; Y647-E651 WeakPolarHBondContact CD2-O 3.19Å; Y647-E651 HydrophobicContact CG-CB 3.87Å; Y647-V665 CarbonylContact O-C 3.58Å; Y647-V665 WeakPolarHBondContact O-CA 3.04Å; Y647-F666 PolarHBondContact N-O 3.14Å; Y647-F666 VanDerWaalsContact O-CD2 3.31Å; Y647-F666 WeakPolarHBondContact O-CD2 3.31Å; Y647-F666 PolarHBondContact O-N 3.11Å; Y647-T668 HydrophobicContact CD1-CG2 3.63Å; Y647-T668 HydrophobicContact CD2-CG2 3.85Å; Y647-T668 HydrophobicContact CE1-CG2 4.01Å; Y647-T668 HydrophobicContact CE2-CG2 4.22Å; Y647-T668 HydrophobicContact CG-CG2 3.54Å; Y647-Y709 HydrophobicContact CD2-CD1 4.07Å; Y647-Y709 HydrophobicContact CD2-CE1 4.4Å
648R92.8Very high86.4Confident30 Ų3046.1 Ų46.111%0.11325%0.248CC..  trans-75.9162.8167.6-59173-170.8-93.9-1.7110Q621 P622 S650 E651 V665 Y703Q621-R648 VanDerWaalsContact OE1-CD 3.31Å; P622-R648 PolarHBondContact O-NH2 3.46Å; R648-S650 PolarHBondContact O-N 3.28Å; R648-S650 VanDerWaalsContact O-N 3.13Å; R648-E651 WeakPolarHBondContact CB-OE2 3.47Å; R648-E651 WeakPolarHBondContact CG-OE2 3.44Å; R648-E651 PolarHBondContact N-OE2 3.47Å; R648-E651 WeakPolarHBondContact O-CB 3.35Å; R648-E651 PolarHBondContact O-N 2.84Å; R648-V665 HydrophobicContact CG-CG1 4.39Å; R648-Y703 PolarHBondContact NH1-OH 3.13Å; R648-Y703 PolarHBondContact NH2-OH 3.35Å; R648-Y703 VanDerWaalsContact NH2-OH 3.1Å
649P90Very high86.5Confident17 Ų1748 Ų4811%0.1126%0.255CS..G310 helixtrans-50.3-39.1176.1-31.135.9000114.2E651 T652 H654 F660 E664 F666 F747P649-E651 PolarHBondContact O-N 3.2Å; P649-T652 PolarHBondContact O-N 3.46Å; P649-T652 VanDerWaalsContact O-N 3.08Å; P649-T652 PolarHBondContact O-OG1 3.37Å; P649-H654 PolarHBondContact O-CE1 2.83Å; P649-H654 PolarHBondContact O-ND1 2.74Å; P649-F660 HydrophobicContact CB-CD1 4.03Å; P649-F660 HydrophobicContact CB-CD2 3.89Å; P649-F660 HydrophobicContact CB-CE1 4.01Å; P649-F660 HydrophobicContact CB-CE2 3.89Å; P649-F660 HydrophobicContact CB-CG 3.93Å; P649-F660 HydrophobicContact CB-CZ 3.92Å; P649-F660 HydrophobicContact CG-CB 4.06Å; P649-F660 HydrophobicContact CG-CD1 3.78Å; P649-F660 HydrophobicContact CG-CD2 4.2Å; P649-F660 HydrophobicContact CG-CE1 4.19Å; P649-F660 HydrophobicContact CG-CG 3.74Å; P649-E664 VanDerWaalsContact CD-O 3.27Å; P649-E664 WeakPolarHBondContact CD-O 3.32Å; P649-F666 HydrophobicContact CG-CE2 4.12Å; P649-F747 HydrophobicContact CB-CD2 4.19Å
650S86.8Confident86.4Confident68 Ų6847.4 Ų47.448%0.47625%0.251SS..G310 helixtrans-62.2-22.3175.8520000114.9R648R648-S650 PolarHBondContact O-N 3.28Å; R648-S650 VanDerWaalsContact O-N 3.13Å
651E89.2Confident86.1Confident54 Ų5446.7 Ų46.725%0.25225%0.247SC..G310 helixtrans-94.85.5178.2-62.8167.6115.300111.6H623 Y647 R648 P649H623-E651 IonicContact CE1-OE1 2.8Å; H623-E651 PolarHBondContact CE1-OE1 3.13Å; H623-E651 IonicContact CG-OE1 2.8Å; H623-E651 IonicContact ND1-OE1 3.45Å; H623-E651 PolarHBondContact ND1-OE1 3.35Å; Y647-E651 HydrophobicContact CD1-CB 4.49Å; Y647-E651 HydrophobicContact CD2-CB 3.96Å; Y647-E651 VanDerWaalsContact CD2-O 3.27Å; Y647-E651 WeakPolarHBondContact CD2-O 3.19Å; Y647-E651 HydrophobicContact CG-CB 3.87Å; R648-E651 WeakPolarHBondContact CB-OE2 3.47Å; R648-E651 WeakPolarHBondContact CG-OE2 3.44Å; R648-E651 PolarHBondContact N-OE2 3.47Å; R648-E651 WeakPolarHBondContact O-CB 3.35Å; R648-E651 PolarHBondContact O-N 2.84Å; P649-E651 PolarHBondContact O-N 3.2Å
652T89.3Confident85.7Confident11 Ų1151 Ų517%0.06727%0.27CS..SBendtrans-118.8144.6-179.670.40000112.8P649 H654 F666 Y709 F716P649-T652 PolarHBondContact O-N 3.46Å; P649-T652 VanDerWaalsContact O-N 3.08Å; P649-T652 PolarHBondContact O-OG1 3.37Å; T652-H654 PolarHBondContact O-CE1 2.79Å; T652-H654 PolarHBondContact O-ND1 2.72Å; T652-H654 PolarHBondContact OG1-ND1 2.76Å; T652-H654 VanDerWaalsContact OG1-ND1 3.14Å; T652-F666 HydrophobicContact CG2-CD2 3.68Å; T652-F666 HydrophobicContact CG2-CE2 4.21Å; T652-Y709 HydrophobicContact CG2-CD1 3.65Å; T652-Y709 HydrophobicContact CG2-CD2 4.02Å; T652-Y709 HydrophobicContact CG2-CE1 3.82Å; T652-Y709 HydrophobicContact CG2-CE2 4.19Å; T652-Y709 HydrophobicContact CG2-CG 3.75Å; T652-F716 HydrophobicContact CG2-CE1 4.27Å; T652-F716 HydrophobicContact CG2-CZ 4.28Å
653F82.5Confident85.5Confident127 Ų12752.6 Ų52.656%0.55728%0.278SS*.  trans-79.7126.8161.3-63.8-87.5000110.6Y709 K714 F716F653-Y709 WeakPolarHBondContact CB-OH 3.4Å; F653-Y709 PolarHBondContact N-OH 3.48Å; F653-Y709 PolarHBondContact O-OH 3.23Å; F653-K714 HydrophobicContact CB-CB 4Å; F653-K714 HydrophobicContact CB-CD 3.66Å; F653-K714 HydrophobicContact CB-CG 3.89Å; F653-K714 HydrophobicContact CD1-CD 4.21Å; F653-K714 HydrophobicContact CD2-CD 3.7Å; F653-K714 HydrophobicContact CD2-CG 3.91Å; F653-K714 VanDerWaalsContact CE1-NZ 3.3Å; F653-K714 HydrophobicContact CE2-CD 4.41Å; F653-K714 HydrophobicContact CG-CD 3.58Å; F653-K714 HydrophobicContact CG-CG 4.09Å; F653-K714 VanDerWaalsContact CZ-NZ 3.33Å; F653-F716 WeakPolarHBondContact O-CE2 3.47Å
654H82.7Confident85.6Confident48 Ų4852.8 Ų52.822%0.22228%0.279CS..  trans-150164-179.252.2-88.3000110.8P649 T652 R658 F660 F716P649-H654 PolarHBondContact O-CE1 2.83Å; P649-H654 PolarHBondContact O-ND1 2.74Å; T652-H654 PolarHBondContact O-CE1 2.79Å; T652-H654 PolarHBondContact O-ND1 2.72Å; T652-H654 PolarHBondContact OG1-ND1 2.76Å; T652-H654 VanDerWaalsContact OG1-ND1 3.14Å; H654-R658 HydrophobicContact CB-CB 4.26Å; H654-F660 HydrophobicContact CB-CZ 4.03Å; H654-F660 AromaticContact CD2-CE2 3.54Å; H654-F660 AromaticContact CD2-CZ 3.57Å; H654-F660 AromaticContact CE1-CE2 3.96Å; H654-F660 AromaticContact CE1-CZ 3.91Å; H654-F660 AromaticContact CG-CZ 3.54Å; H654-F660 AromaticContact ND1-CZ 3.75Å; H654-F660 AromaticContact NE2-CE2 3.51Å; H654-F660 AromaticContact NE2-CZ 3.81Å; H654-F716 HydrophobicContact CB-CE2 4.01Å; H654-F716 HydrophobicContact CB-CZ 4.07Å
655T76.8Confident85.6Confident89 Ų8952.6 Ų52.655%0.54628%0.278SS..  trans-72.1145.6172.357.70000110.4T657 R658T655-T657 WeakPolarHBondContact CB-OG1 3.08Å; T655-T657 PolarHBondContact O-N 2.65Å; T655-T657 PolarHBondContact OG1-OG1 3.34Å; T655-R658 VanDerWaalsContact O-CB 3.27Å; T655-R658 WeakPolarHBondContact O-CB 3.3Å; T655-R658 PolarHBondContact O-N 2.93Å
656A68.9Low85.7Confident95 Ų9551.8 Ų51.879%0.78528%0.275SS*.THydrogen-bonded Turntrans-59.1-17.5175.800000113.9
657T72Confident85.5Confident116 Ų11652.8 Ų52.871%0.71228%0.281SS*.THydrogen-bonded Turntrans-81.8-12.8173.852.60000114.1T655 K659T655-T657 WeakPolarHBondContact CB-OG1 3.08Å; T655-T657 PolarHBondContact O-N 2.65Å; T655-T657 PolarHBondContact OG1-OG1 3.34Å; T657-K659 PolarHBondContact O-N 3.06Å
658R78.1Confident85.3Confident70 Ų7050.2 Ų50.226%0.26427%0.271SS..  trans-70.3128-178.8-168.4173.7-176.3106.91.5109.6H654 T655 F660 F716H654-R658 HydrophobicContact CB-CB 4.26Å; T655-R658 VanDerWaalsContact O-CB 3.27Å; T655-R658 WeakPolarHBondContact O-CB 3.3Å; T655-R658 PolarHBondContact O-N 2.93Å; R658-F660 HydrophobicContact CB-CE2 4.35Å; R658-F660 HydrophobicContact CB-CZ 4.23Å; R658-F660 HydrophobicContact CG-CE1 4.02Å; R658-F660 HydrophobicContact CG-CE2 4.29Å; R658-F660 HydrophobicContact CG-CZ 3.85Å; R658-F716 VanDerWaalsContact CZ-CG 3.41Å; R658-F716 VanDerWaalsContact NH1-CD2 3.32Å; R658-F716 VanDerWaalsContact NH2-CG 3.27Å
659K82.1Confident84.8Confident120 Ų12052.2 Ų52.252%0.52228%0.284SS..EExtended strand (participates in β ladder)trans-105.7137.9176.1-54.3-175.5-177.1-1780109.8T657 R744 K745T657-K659 PolarHBondContact O-N 3.06Å; K659-R744 HydrophobicContact CB-CB 3.61Å; K659-K745 CarbonylContact C-O 3.47Å; K659-K745 VanDerWaalsContact CA-O 3.31Å; K659-K745 WeakPolarHBondContact CA-O 3.26Å
660F85.7Confident84.6Confident9 Ų955 Ų554%0.03929%0.294CS..EExtended strand (participates in β ladder)trans-114.8147.3-174.8-61-76000111.3P649 H654 R658 E664 F666 R744 K745 F747P649-F660 HydrophobicContact CB-CD1 4.03Å; P649-F660 HydrophobicContact CB-CD2 3.89Å; P649-F660 HydrophobicContact CB-CE1 4.01Å; P649-F660 HydrophobicContact CB-CE2 3.89Å; P649-F660 HydrophobicContact CB-CG 3.93Å; P649-F660 HydrophobicContact CB-CZ 3.92Å; P649-F660 HydrophobicContact CG-CB 4.06Å; P649-F660 HydrophobicContact CG-CD1 3.78Å; P649-F660 HydrophobicContact CG-CD2 4.2Å; P649-F660 HydrophobicContact CG-CE1 4.19Å; P649-F660 HydrophobicContact CG-CG 3.74Å; H654-F660 HydrophobicContact CB-CZ 4.03Å; H654-F660 AromaticContact CD2-CE2 3.54Å; H654-F660 AromaticContact CD2-CZ 3.57Å; H654-F660 AromaticContact CE1-CE2 3.96Å; H654-F660 AromaticContact CE1-CZ 3.91Å; H654-F660 AromaticContact CG-CZ 3.54Å; H654-F660 AromaticContact ND1-CZ 3.75Å; H654-F660 AromaticContact NE2-CE2 3.51Å; H654-F660 AromaticContact NE2-CZ 3.81Å; R658-F660 HydrophobicContact CB-CE2 4.35Å; R658-F660 HydrophobicContact CB-CZ 4.23Å; R658-F660 HydrophobicContact CG-CE1 4.02Å; R658-F660 HydrophobicContact CG-CE2 4.29Å; R658-F660 HydrophobicContact CG-CZ 3.85Å; F660-E664 WeakPolarHBondContact CA-OE2 3.23Å; F660-F666 HydrophobicContact CD1-CE2 4.23Å; F660-F666 AromaticContact CD1-CZ 3.69Å; F660-F666 HydrophobicContact CD1-CZ 3.69Å; F660-F666 AromaticContact CE1-CE2 3.99Å; F660-F666 HydrophobicContact CE1-CE2 3.99Å; F660-F666 AromaticContact CE1-CZ 3.66Å; F660-F666 HydrophobicContact CE1-CZ 3.66Å; F660-R744 CarbonylContact O-C 3.56Å; F660-R744 WeakPolarHBondContact O-CA 3.26Å; F660-K745 PolarHBondContact N-O 2.99Å; F660-K745 PolarHBondContact O-N 2.88Å; F660-F747 HydrophobicContact CD2-CB 3.91Å; F660-F747 HydrophobicContact CE2-CB 3.86Å
661L83.9Confident84.8Confident16 Ų1654 Ų548%0.08428%0.281CS..  trans-64155.3167.2-62169000109.8E664 V704 P742 R744L661-E664 HydrophobicContact CB-CB 3.96Å; L661-E664 HydrophobicContact CB-CG 4.25Å; L661-E664 PolarHBondContact N-OE2 3.48Å; L661-E664 WeakPolarHBondContact O-CB 3.38Å; L661-E664 PolarHBondContact O-N 3.45Å; L661-V704 HydrophobicContact CD1-CG1 3.89Å; L661-P742 HydrophobicContact CD2-CB 3.5Å; L661-R744 HydrophobicContact CD2-CG 3.58Å; L661-R744 HydrophobicContact CG-CG 4.04Å
662D81.3Confident84.6Confident89 Ų8953.3 Ų53.348%0.47628%0.279SS..THydrogen-bonded Turntrans-62.5136.2166.7-150.470.6000108.9E664D662-E664 PolarHBondContact O-N 2.84Å; D662-E664 VanDerWaalsContact O-N 3.15Å
663H88.2Confident84.6Confident66 Ų6656 Ų5631%0.30629%0.29SS..THydrogen-bonded Turntrans53.228.4-173.4-60.474.5000114.9Y703 V704H663-Y703 HydrophobicContact CB-CD1 3.98Å; H663-Y703 HydrophobicContact CB-CE1 4.44Å; H663-Y703 AromaticContact CD2-CE1 3.98Å; H663-Y703 CarbonylContact O-C 3.54Å; H663-Y703 WeakPolarHBondContact O-CA 3.34Å; H663-Y703 WeakPolarHBondContact O-CB 3.45Å; H663-Y703 WeakPolarHBondContact O-CD1 3.4Å; H663-V704 PolarHBondContact O-N 3.01Å
664E91Very high85Confident4 Ų450.1 Ų50.12%0.01927%0.265CS..BIsolated β-bridgetrans-66.7138.6174-155.1172.8175.200111.8P649 F660 L661 D662 F666 V704P649-E664 VanDerWaalsContact CD-O 3.27Å; P649-E664 WeakPolarHBondContact CD-O 3.32Å; F660-E664 WeakPolarHBondContact CA-OE2 3.23Å; L661-E664 HydrophobicContact CB-CB 3.96Å; L661-E664 HydrophobicContact CB-CG 4.25Å; L661-E664 PolarHBondContact N-OE2 3.48Å; L661-E664 WeakPolarHBondContact O-CB 3.38Å; L661-E664 PolarHBondContact O-N 3.45Å; D662-E664 PolarHBondContact O-N 2.84Å; D662-E664 VanDerWaalsContact O-N 3.15Å; E664-F666 HydrophobicContact CB-CZ 4.46Å; E664-F666 HydrophobicContact CG-CE1 3.95Å; E664-F666 HydrophobicContact CG-CZ 3.83Å; E664-F666 WeakPolarHBondContact OE1-CE1 3.36Å; E664-V704 CarbonylContact C-O 3.58Å; E664-V704 WeakPolarHBondContact CA-O 3.4Å
665V94.2Very high85.5Confident0 Ų050.5 Ų50.50%027%0.268CS..  trans-137.4158.7171.3-63.50000110.9I624 F646 Y647 R648 V685 Y703 V704 C705I624-V665 HydrophobicContact CD1-CG1 3.86Å; F646-V665 HydrophobicContact CB-CB 4.45Å; F646-V665 HydrophobicContact CD1-CG2 4.01Å; Y647-V665 CarbonylContact O-C 3.58Å; Y647-V665 WeakPolarHBondContact O-CA 3.04Å; R648-V665 HydrophobicContact CG-CG1 4.39Å; V665-V685 HydrophobicContact CG2-CG1 3.57Å; V665-V685 HydrophobicContact CG2-CG2 4.22Å; V665-Y703 HydrophobicContact CG1-CD1 3.56Å; V665-Y703 HydrophobicContact CG1-CE1 4.41Å; V665-Y703 HydrophobicContact CG1-CG 3.89Å; V665-V704 PolarHBondContact N-O 3.48Å; V665-C705 HydrophobicContact CG2-CB 4.19Å; V665-C705 WeakPolarHBondContact O-CA 3.45Å; V665-C705 PolarHBondContact O-SG 3.1Å
666F94Very high86.2Confident0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-122.4121.5-176.8-51.4-71.5000110.7F646 Y647 P649 T652 F660 E664 T668 S707 F716F646-F666 CarbonylContact C-O 3.53Å; F646-F666 WeakPolarHBondContact CA-O 3.17Å; Y647-F666 PolarHBondContact N-O 3.14Å; Y647-F666 VanDerWaalsContact O-CD2 3.31Å; Y647-F666 WeakPolarHBondContact O-CD2 3.31Å; Y647-F666 PolarHBondContact O-N 3.11Å; P649-F666 HydrophobicContact CG-CE2 4.12Å; T652-F666 HydrophobicContact CG2-CD2 3.68Å; T652-F666 HydrophobicContact CG2-CE2 4.21Å; F660-F666 HydrophobicContact CD1-CE2 4.23Å; F660-F666 AromaticContact CD1-CZ 3.69Å; F660-F666 HydrophobicContact CD1-CZ 3.69Å; F660-F666 AromaticContact CE1-CE2 3.99Å; F660-F666 HydrophobicContact CE1-CE2 3.99Å; F660-F666 AromaticContact CE1-CZ 3.66Å; F660-F666 HydrophobicContact CE1-CZ 3.66Å; E664-F666 HydrophobicContact CB-CZ 4.46Å; E664-F666 HydrophobicContact CG-CE1 3.95Å; E664-F666 HydrophobicContact CG-CZ 3.83Å; E664-F666 WeakPolarHBondContact OE1-CE1 3.36Å; F666-T668 PolarHBondContact O-N 2.82Å; F666-S707 WeakPolarHBondContact CA-O 3.3Å; F666-F716 AromaticContact CD1-CD1 3.87Å; F666-F716 HydrophobicContact CD1-CD1 3.87Å; F666-F716 AromaticContact CD1-CE1 3.94Å; F666-F716 HydrophobicContact CD1-CE1 3.94Å; F666-F716 AromaticContact CD2-CE1 3.97Å; F666-F716 HydrophobicContact CD2-CE1 3.97Å; F666-F716 AromaticContact CE1-CD1 3.91Å; F666-F716 HydrophobicContact CE1-CD1 3.91Å; F666-F716 AromaticContact CE1-CE1 3.84Å; F666-F716 HydrophobicContact CE1-CE1 3.84Å; F666-F716 AromaticContact CE2-CE1 3.88Å; F666-F716 HydrophobicContact CE2-CE1 3.88Å; F666-F716 HydrophobicContact CG-CD1 4.28Å; F666-F716 HydrophobicContact CG-CE1 4.02Å; F666-F716 HydrophobicContact CZ-CD1 4.36Å; F666-F716 AromaticContact CZ-CE1 3.83Å; F666-F716 HydrophobicContact CZ-CE1 3.83Å
667I92.3Very high87.2Confident22 Ų2247 Ų4711%0.11323%0.229CC..EExtended strand (participates in β ladder)trans-58.3133.2167.5-172.5177.8000108.7N644 F646 C705 K708 Y709 L719 M724N644-I667 WeakPolarHBondContact OD1-CG1 3.45Å; F646-I667 HydrophobicContact CD1-CB 4.11Å; F646-I667 HydrophobicContact CE1-CB 3.56Å; F646-I667 HydrophobicContact CE1-CG1 4.04Å; F646-I667 HydrophobicContact CE2-CB 4.45Å; F646-I667 HydrophobicContact CE2-CG1 4.1Å; F646-I667 HydrophobicContact CZ-CB 3.74Å; F646-I667 HydrophobicContact CZ-CD1 4.05Å; F646-I667 HydrophobicContact CZ-CG1 3.66Å; I667-C705 PolarHBondContact N-SG 3.33Å; I667-K708 HydrophobicContact CG2-CB 3.8Å; I667-K708 HydrophobicContact CG2-CG 4.08Å; I667-K708 CarbonylContact O-C 3.53Å; I667-K708 WeakPolarHBondContact O-CA 3.49Å; I667-K708 WeakPolarHBondContact O-CG 3.46Å; I667-Y709 PolarHBondContact O-N 3.47Å; I667-L719 HydrophobicContact CG2-CD1 4.04Å; I667-L719 HydrophobicContact CG2-CD2 3.9Å; I667-L719 HydrophobicContact CG2-CG 4.42Å; I667-M724 HydrophobicContact CD1-CE 4.18Å; I667-M724 HydrophobicContact CD1-SD 4.32Å
668T90.2Very high88.2Confident4 Ų445 Ų453%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-106.4171.9179.969.60000111.9N644 W645 Y647 F666 F670N644-T668 PolarHBondContact ND2-O 2.63Å; W645-T668 WeakPolarHBondContact O-CB 3.33Å; W645-T668 WeakPolarHBondContact O-CG2 3.39Å; W645-T668 PolarHBondContact O-N 3.29Å; W645-T668 VanDerWaalsContact O-N 3.12Å; W645-T668 PolarHBondContact O-OG1 2.99Å; Y647-T668 HydrophobicContact CD1-CG2 3.63Å; Y647-T668 HydrophobicContact CD2-CG2 3.85Å; Y647-T668 HydrophobicContact CE1-CG2 4.01Å; Y647-T668 HydrophobicContact CE2-CG2 4.22Å; Y647-T668 HydrophobicContact CG-CG2 3.54Å; F666-T668 PolarHBondContact O-N 2.82Å; T668-F670 VanDerWaalsContact C-N 3.26Å; T668-F670 WeakPolarHBondContact OG1-CB 3.45Å; T668-F670 PolarHBondContact OG1-N 2.92Å; T668-F670 VanDerWaalsContact OG1-N 3.1Å
669D82.6Confident88.9Confident72 Ų7241.8 Ų41.839%0.38520%0.197SC..EExtended strand (participates in β ladder)trans-83.50.3162.661.2-37.5000113.4
670F85.5Confident89.4Confident76 Ų7640.3 Ų40.333%0.33319%0.193SC..EExtended strand (participates in β ladder)trans-83.5129.2-179.7-171.4-127.5000111.4N644 W645 T668 D672N644-F670 PolarHBondContact ND2-O 3.46Å; W645-F670 HydrophobicContact CB-CD1 4.05Å; W645-F670 AromaticContact CD1-CD1 3.19Å; W645-F670 AromaticContact CD1-CE1 3.57Å; W645-F670 AromaticContact CD1-CG 3.97Å; W645-F670 HydrophobicContact CD2-CD1 4.21Å; W645-F670 HydrophobicContact CD2-CE1 4.24Å; W645-F670 AromaticContact CE2-CE1 3.89Å; W645-F670 AromaticContact CG-CD1 3.58Å; W645-F670 HydrophobicContact CG-CD1 3.58Å; W645-F670 HydrophobicContact CG-CE1 4.06Å; W645-F670 PolarHBondContact N-O 3.1Å; W645-F670 VanDerWaalsContact N-O 3.1Å; W645-F670 AromaticContact NE1-CD1 3.61Å; W645-F670 AromaticContact NE1-CE1 3.44Å; T668-F670 VanDerWaalsContact C-N 3.26Å; T668-F670 WeakPolarHBondContact OG1-CB 3.45Å; T668-F670 PolarHBondContact OG1-N 2.92Å; T668-F670 VanDerWaalsContact OG1-N 3.1Å; F670-D672 HydrophobicContact CE1-CB 4.29Å; F670-D672 HydrophobicContact CZ-CB 4.04Å
671F89.4Confident89.7Confident46 Ų4640.8 Ų40.820%0.20220%0.2CC..EExtended strand (participates in β ladder)trans-130.2139.1173.3-70.6-102.4000108.4K628 Y642 G643 N644K628-F671 HydrophobicContact CD-CE1 4.08Å; Y642-F671 AromaticContact CE1-CD1 3.87Å; Y642-F671 HydrophobicContact CE1-CD1 3.87Å; Y642-F671 HydrophobicContact CE2-CB 3.88Å; Y642-F671 AromaticContact CZ-CD1 3.79Å; Y642-F671 VanDerWaalsContact OH-CB 3.24Å; Y642-F671 WeakPolarHBondContact OH-CB 3.47Å; Y642-F671 WeakPolarHBondContact OH-CG 3.37Å; G643-F671 VanDerWaalsContact O-CA 3.24Å; G643-F671 WeakPolarHBondContact O-CA 3.43Å; G643-F671 WeakPolarHBondContact O-CB 3.32Å; G643-F671 VanDerWaalsContact O-CD1 3.29Å; G643-F671 WeakPolarHBondContact O-CD1 3.46Å; N644-F671 HydrophobicContact CB-CD1 3.94Å; N644-F671 HydrophobicContact CB-CE1 3.57Å; N644-F671 HydrophobicContact CB-CZ 3.91Å; N644-F671 VanDerWaalsContact ND2-CE2 3.31Å; N644-F671 WeakPolarHBondContact ND2-CE2 3.42Å; N644-F671 VanDerWaalsContact ND2-CZ 3.35Å; N644-F671 WeakPolarHBondContact ND2-CZ 3.46Å
672D86.5Confident90Very high39 Ų3942.9 Ų42.921%0.20921%0.209CC..EExtended strand (participates in β ladder)trans-144.5166.8178.1-158.55.7000111.7Y642 G643 W645 F670Y642-D672 WeakPolarHBondContact CA-O 3.42Å; Y642-D672 WeakPolarHBondContact CD2-O 3.44Å; G643-D672 PolarHBondContact N-O 2.82Å; G643-D672 PolarHBondContact O-N 3.29Å; W645-D672 HydrophobicContact CZ2-CB 4.1Å; F670-D672 HydrophobicContact CE1-CB 4.29Å; F670-D672 HydrophobicContact CZ-CB 4.04Å
673K89.7Confident90.5Very high68 Ų6838.7 Ų38.730%0.29619%0.186SC..EExtended strand (participates in β ladder)trans-96135.216856.2172.6176174.20110.3S537 A641S537-K673 WeakPolarHBondContact O-CE 3.45Å; A641-K673 CarbonylContact O-C 3.59Å; A641-K673 VanDerWaalsContact O-CA 3.27Å; A641-K673 WeakPolarHBondContact O-CA 3.33Å
674I91Very high90.6Very high4 Ų436.8 Ų36.82%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-122.3150.1171.767165.3000110.2V613 L625 L640 A641 W645 I679V613-I674 HydrophobicContact CG1-CD1 4.01Å; V613-I674 HydrophobicContact CG1-CG2 4.24Å; V613-I674 HydrophobicContact CG2-CD1 3.72Å; L625-I674 HydrophobicContact CD2-CD1 3.63Å; L625-I674 HydrophobicContact CD2-CG1 3.99Å; L625-I674 HydrophobicContact CD2-CG2 4.46Å; L640-I674 WeakPolarHBondContact CA-O 3.48Å; A641-I674 HydrophobicContact CB-CG1 3.93Å; A641-I674 PolarHBondContact N-O 2.94Å; A641-I674 PolarHBondContact O-N 3.25Å; W645-I674 HydrophobicContact CH2-CG2 4.31Å; W645-I674 HydrophobicContact CZ2-CG2 3.98Å; I674-I679 HydrophobicContact CD1-CD1 4.46Å; I674-I679 HydrophobicContact CD1-CG1 3.89Å
675D91.1Very high90.5Very high56 Ų5636.6 Ų36.630%0.29918%0.176SC..EExtended strand (participates in β ladder)trans-66.4128.8157.3179.2-3.6000108.4Q677 R678D675-Q677 PolarHBondContact O-N 3.47Å; D675-Q677 VanDerWaalsContact O-N 3.15Å; D675-Q677 WeakPolarHBondContact OD1-CB 3.27Å; D675-Q677 WeakPolarHBondContact OD1-CG 3.19Å; D675-Q677 PolarHBondContact OD1-N 2.71Å; D675-R678 WeakPolarHBondContact O-CB 3.38Å; D675-R678 PolarHBondContact O-N 2.89Å
676T91.5Very high89.9Confident1 Ų136.8 Ų36.81%0.00618%0.176CC..G310 helixtrans-57.4-24.3176.151.60000112.8V598 M630 V639 A641 R678 I679V598-T676 HydrophobicContact CG1-CG2 4.02Å; V598-T676 HydrophobicContact CG2-CG2 4.42Å; M630-T676 HydrophobicContact SD-CG2 4.43Å; V639-T676 HydrophobicContact CB-CG2 4.34Å; V639-T676 HydrophobicContact CG1-CG2 3.99Å; V639-T676 WeakPolarHBondContact O-CB 3.43Å; V639-T676 VanDerWaalsContact O-CG2 3.28Å; V639-T676 WeakPolarHBondContact O-CG2 3.47Å; V639-T676 PolarHBondContact O-N 3.08Å; V639-T676 VanDerWaalsContact O-N 3.1Å; V639-T676 PolarHBondContact O-OG1 2.58Å; A641-T676 HydrophobicContact CB-CG2 3.84Å; T676-R678 PolarHBondContact O-N 2.83Å; T676-R678 VanDerWaalsContact O-N 3.16Å; T676-I679 HydrophobicContact CG2-CD1 4.21Å; T676-I679 VanDerWaalsContact O-CB 3.28Å; T676-I679 WeakPolarHBondContact O-CB 3.48Å; T676-I679 WeakPolarHBondContact O-CG1 3.13Å; T676-I679 PolarHBondContact O-N 2.85Å
677Q90.4Very high89.2Confident108 Ų10838.1 Ų38.151%0.50518%0.183SC..G310 helixtrans-63.6-16.8173.2-60.1-60.1-27.400114.1R601 D675 I679R601-Q677 PolarHBondContact NH2-O 3.08Å; D675-Q677 PolarHBondContact O-N 3.47Å; D675-Q677 VanDerWaalsContact O-N 3.15Å; D675-Q677 WeakPolarHBondContact OD1-CB 3.27Å; D675-Q677 WeakPolarHBondContact OD1-CG 3.19Å; D675-Q677 PolarHBondContact OD1-N 2.71Å; Q677-I679 VanDerWaalsContact C-N 3.33Å
678R92.7Very high88.1Confident76 Ų7639.1 Ų39.129%0.28719%0.191SC..G310 helixtrans-79.3-12.2172.7-65.2-178.166.8164.95.5113.5V613 K614 T616 D675 T676V613-R678 HydrophobicContact CG1-CB 4.1Å; K614-R678 PolarHBondContact N-O 2.73Å; K614-R678 PolarHBondContact O-NE 2.87Å; K614-R678 PolarHBondContact O-NH2 3.42Å; T616-R678 PolarHBondContact OG1-NH2 3.12Å; D675-R678 WeakPolarHBondContact O-CB 3.38Å; D675-R678 PolarHBondContact O-N 2.89Å; T676-R678 PolarHBondContact O-N 2.83Å; T676-R678 VanDerWaalsContact O-N 3.16Å
679I94.3Very high86.7Confident1 Ų146.3 Ų46.31%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-66.6134.1177.6-61.8172.3000109Y605 V611 Y612 L627 I674 T676 Q677Y605-I679 HydrophobicContact CD1-CG2 3.93Å; Y605-I679 HydrophobicContact CD2-CG2 4.36Å; Y605-I679 HydrophobicContact CE1-CG2 3.44Å; Y605-I679 VanDerWaalsContact CE1-CG2 3.44Å; Y605-I679 HydrophobicContact CE2-CG2 3.95Å; Y605-I679 HydrophobicContact CG-CG2 4.35Å; Y605-I679 VanDerWaalsContact CZ-CG2 3.46Å; V611-I679 HydrophobicContact CB-CG2 3.99Å; V611-I679 HydrophobicContact CG1-CG2 4.2Å; V611-I679 HydrophobicContact CG2-CD1 4.46Å; V611-I679 HydrophobicContact CG2-CG1 4.28Å; V611-I679 HydrophobicContact CG2-CG2 4.4Å; Y612-I679 WeakPolarHBondContact O-CA 3.31Å; L627-I679 HydrophobicContact CD1-CD1 4.4Å; L627-I679 HydrophobicContact CD2-CD1 4.41Å; I674-I679 HydrophobicContact CD1-CD1 4.46Å; I674-I679 HydrophobicContact CD1-CG1 3.89Å; T676-I679 HydrophobicContact CG2-CD1 4.21Å; T676-I679 VanDerWaalsContact O-CB 3.28Å; T676-I679 WeakPolarHBondContact O-CB 3.48Å; T676-I679 WeakPolarHBondContact O-CG1 3.13Å; T676-I679 PolarHBondContact O-N 2.85Å; Q677-I679 VanDerWaalsContact C-N 3.33Å
680M91.5Very high85.6Confident90 Ų9049.1 Ų49.144%0.44323%0.234SC..EExtended strand (participates in β ladder)trans-109.3-28.2-175.1-69.2-176.260.200113.9Y612 K614 P622Y612-M680 PolarHBondContact O-N 3.46Å; K614-M680 WeakPolarHBondContact CA-SD 3.28Å; K614-M680 HydrophobicContact CB-CG 3.96Å; K614-M680 HydrophobicContact CB-SD 3.64Å; K614-M680 HydrophobicContact CG-SD 4.03Å; P622-M680 HydrophobicContact CB-SD 4.18Å; P622-M680 HydrophobicContact CG-CE 4.04Å; P622-M680 HydrophobicContact CG-SD 4.03Å
681G91.5Very high84.3Confident18 Ų1848.6 Ų48.619%0.18623%0.23CC..EExtended strand (participates in β ladder)trans175.6170.5-174.600000110.6Y605 V611 Y612Y605-G681 VanDerWaalsContact OH-CA 3.32Å; Y605-G681 WeakPolarHBondContact OH-CA 3.39Å; Y605-G681 PolarHBondContact OH-N 2.99Å; V611-G681 WeakPolarHBondContact CA-O 3.3Å; Y612-G681 PolarHBondContact N-O 3.41Å
682K91.2Very high82.9Confident61 Ų6148 Ų4827%0.26523%0.232SC..EExtended strand (participates in β ladder)trans-86.3153.6168.8-60-164.5-173.5-159.80110.2V604 Y605 D609 F697V604-K682 WeakPolarHBondContact O-CE 3.45Å; V604-K682 PolarHBondContact O-NZ 3.25Å; Y605-K682 HydrophobicContact CD1-CD 4.48Å; Y605-K682 HydrophobicContact CD1-CG 3.83Å; Y605-K682 HydrophobicContact CE1-CG 3.54Å; D609-K682 IonicContact OD1-NZ 3.93Å; D609-K682 WeakPolarHBondContact OD2-CE 3.37Å; D609-K682 IonicContact OD2-NZ 2.77Å; D609-K682 PolarHBondContact OD2-NZ 2.81Å; K682-F697 HydrophobicContact CB-CE1 3.85Å; K682-F697 HydrophobicContact CB-CZ 4.43Å
683C92.6Very high81.6Confident1 Ų148.7 Ų48.71%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-138.5-176.1164.6570000108.1F610 Y612 F697 D701 Y703F610-C683 WeakPolarHBondContact CB-O 3.34Å; F610-C683 PolarHBondContact O-N 2.85Å; F610-C683 VanDerWaalsContact O-O 3.13Å; Y612-C683 HydrophobicContact CD1-CB 4.42Å; Y612-C683 HydrophobicContact CD2-CB 4.2Å; Y612-C683 HydrophobicContact CE1-CB 3.97Å; Y612-C683 HydrophobicContact CE2-CB 3.76Å; C683-F697 VanDerWaalsContact C-CE1 3.42Å; C683-F697 VanDerWaalsContact O-CE1 3.27Å; C683-F697 WeakPolarHBondContact O-CE1 3.35Å; C683-D701 WeakPolarHBondContact CA-O 3.42Å; C683-D701 WeakPolarHBondContact CB-O 3.24Å; C683-Y703 HydrophobicContact CB-CD2 4.41Å; C683-Y703 HydrophobicContact CB-CE2 4.14Å
684Y89.3Confident80.5Confident25 Ų2545.9 Ų45.910%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-138.5144.1174.1-155.2-100.4000111.7F610 I686 F697 D701 Y703 V731 F733F610-Y684 HydrophobicContact CD2-CD2 4.32Å; F610-Y684 HydrophobicContact CD2-CE2 4.49Å; Y684-I686 HydrophobicContact CD1-CB 4.4Å; Y684-I686 HydrophobicContact CE1-CB 4.45Å; Y684-I686 HydrophobicContact CE1-CD1 4.34Å; Y684-F697 HydrophobicContact CD2-CE2 4.07Å; Y684-F697 HydrophobicContact CD2-CZ 4.09Å; Y684-F697 HydrophobicContact CG-CE2 4.39Å; Y684-D701 PolarHBondContact N-O 2.79Å; Y684-Y703 PolarHBondContact O-N 3.45Å; Y684-V731 HydrophobicContact CD2-CG2 4.45Å; Y684-V731 HydrophobicContact CE2-CG2 4.05Å; Y684-F733 HydrophobicContact CE1-CE1 4.18Å; Y684-F733 AromaticContact CE1-CZ 3.78Å; Y684-F733 HydrophobicContact CE1-CZ 3.78Å
685V89.4Confident79.4Confident1 Ų149.7 Ų49.71%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-122.8125.4175.6-172.70000109.7F610 I624 F646 V665 Y703 C705 W722F610-V685 HydrophobicContact CD1-CB 3.92Å; F610-V685 HydrophobicContact CD1-CG2 3.47Å; F610-V685 VanDerWaalsContact CD1-CG2 3.47Å; F610-V685 HydrophobicContact CD2-CB 4.42Å; F610-V685 HydrophobicContact CE1-CB 3.64Å; F610-V685 HydrophobicContact CE1-CG2 3.63Å; F610-V685 HydrophobicContact CE2-CB 4.17Å; F610-V685 HydrophobicContact CG-CB 4.31Å; F610-V685 HydrophobicContact CG-CG2 3.97Å; F610-V685 HydrophobicContact CZ-CB 3.78Å; F610-V685 HydrophobicContact CZ-CG2 4.27Å; I624-V685 HydrophobicContact CG2-CG2 4Å; F646-V685 HydrophobicContact CD1-CG1 4Å; F646-V685 HydrophobicContact CD1-CG2 4.29Å; F646-V685 HydrophobicContact CE1-CB 4.46Å; F646-V685 HydrophobicContact CE1-CG1 3.87Å; V665-V685 HydrophobicContact CG2-CG1 3.57Å; V665-V685 HydrophobicContact CG2-CG2 4.22Å; V685-Y703 CarbonylContact C-O 3.53Å; V685-Y703 WeakPolarHBondContact CA-O 3.12Å; V685-C705 HydrophobicContact CG1-CB 3.59Å; V685-W722 HydrophobicContact CG1-CH2 4.2Å
686I81.9Confident78.5Confident3 Ų351 Ų512%0.01527%0.27CS..EExtended strand (participates in β ladder)trans-124.6151.3-173.1-157.9153.8000111.9Y684 W690 Y691 V702 Y703 V704 C705 F733Y684-I686 HydrophobicContact CD1-CB 4.4Å; Y684-I686 HydrophobicContact CE1-CB 4.45Å; Y684-I686 HydrophobicContact CE1-CD1 4.34Å; I686-W690 HydrophobicContact CD1-CB 4.04Å; I686-W690 WeakPolarHBondContact CD1-O 3.5Å; I686-W690 HydrophobicContact CG1-CB 3.94Å; I686-Y691 HydrophobicContact CG2-CD2 3.87Å; I686-Y691 HydrophobicContact CG2-CE2 4.44Å; I686-V702 HydrophobicContact CG2-CG1 4.34Å; I686-Y703 PolarHBondContact N-O 3.12Å; I686-V704 HydrophobicContact CG2-CG2 4.33Å; I686-V704 CarbonylContact O-C 3.57Å; I686-V704 WeakPolarHBondContact O-CA 3.23Å; I686-C705 PolarHBondContact O-N 3.47Å; I686-F733 HydrophobicContact CD1-CD1 4.07Å; I686-F733 HydrophobicContact CD1-CE1 3.44Å; I686-F733 VanDerWaalsContact CD1-CE1 3.44Å; I686-F733 HydrophobicContact CD1-CZ 4.03Å
687I78Confident77.9Confident28 Ų2853.3 Ų53.314%0.14428%0.28CS..  trans-81.1143.9168.561.1175.4000109.5L689 W690 W722I687-L689 HydrophobicContact CD1-CB 4.31Å; I687-L689 HydrophobicContact CG1-CB 4.42Å; I687-L689 PolarHBondContact O-N 3.26Å; I687-W690 HydrophobicContact CD1-CD2 3.81Å; I687-W690 HydrophobicContact CD1-CE3 3.95Å; I687-W690 HydrophobicContact CD1-CG 4.39Å; I687-W690 HydrophobicContact CD1-CH2 4.17Å; I687-W690 HydrophobicContact CD1-CZ2 4.03Å; I687-W690 HydrophobicContact CD1-CZ3 4.13Å; I687-W690 HydrophobicContact CG1-CB 4.42Å; I687-W690 HydrophobicContact CG1-CD2 3.69Å; I687-W690 HydrophobicContact CG1-CE3 3.67Å; I687-W690 HydrophobicContact CG1-CG 4.02Å; I687-W690 HydrophobicContact CG1-CZ3 4.22Å; I687-W690 PolarHBondContact O-N 2.96Å; I687-W722 HydrophobicContact CD1-CB 4.4Å; I687-W722 HydrophobicContact CG2-CB 4.31Å; I687-W722 HydrophobicContact CG2-CD2 3.54Å; I687-W722 HydrophobicContact CG2-CE3 3.25Å; I687-W722 HydrophobicContact CG2-CG 4.03Å; I687-W722 HydrophobicContact CG2-CH2 4.37Å; I687-W722 HydrophobicContact CG2-CZ3 3.71Å
688P70.7Confident77.4Confident44 Ų4454.4 Ų54.429%0.28629%0.286SS..G310 helixtrans-67.6-12.4-17515-20.4000115.1W690 V704 E706P688-W690 PolarHBondContact O-N 3.5Å; P688-V704 HydrophobicContact CB-CG1 3.78Å; P688-V704 HydrophobicContact CG-CG1 3.74Å; P688-E706 HydrophobicContact CG-CG 3.27Å; P688-E706 WeakPolarHBondContact CG-OE1 3.25Å
689L60.6Low76.7Confident154 Ų15455 Ų5581%0.80630%0.295SS*.G310 helixtrans-62.6-18.5167.4-92.191.9000113I687I687-L689 HydrophobicContact CD1-CB 4.31Å; I687-L689 HydrophobicContact CG1-CB 4.42Å; I687-L689 PolarHBondContact O-N 3.26Å
690W59.2Low76.2Confident131 Ų13160.9 Ų60.950%0.49632%0.323SS..G310 helixtrans-122.630.5-176.7-56.7-25.2000111.9I686 I687 P688 S692I686-W690 HydrophobicContact CD1-CB 4.04Å; I686-W690 WeakPolarHBondContact CD1-O 3.5Å; I686-W690 HydrophobicContact CG1-CB 3.94Å; I687-W690 HydrophobicContact CD1-CD2 3.81Å; I687-W690 HydrophobicContact CD1-CE3 3.95Å; I687-W690 HydrophobicContact CD1-CG 4.39Å; I687-W690 HydrophobicContact CD1-CH2 4.17Å; I687-W690 HydrophobicContact CD1-CZ2 4.03Å; I687-W690 HydrophobicContact CD1-CZ3 4.13Å; I687-W690 HydrophobicContact CG1-CB 4.42Å; I687-W690 HydrophobicContact CG1-CD2 3.69Å; I687-W690 HydrophobicContact CG1-CE3 3.67Å; I687-W690 HydrophobicContact CG1-CG 4.02Å; I687-W690 HydrophobicContact CG1-CZ3 4.22Å; I687-W690 PolarHBondContact O-N 2.96Å; P688-W690 PolarHBondContact O-N 3.5Å; W690-S692 PolarHBondContact O-N 2.91Å; W690-S692 PolarHBondContact O-OG 2.93Å
691Y58.3Low76.1Confident66 Ų6658.9 Ų58.926%0.25931%0.314SS..  trans-73.665.8-175.3-159.7-130.6000113.3I686 V704 L740I686-Y691 HydrophobicContact CG2-CD2 3.87Å; I686-Y691 HydrophobicContact CG2-CE2 4.44Å; Y691-V704 HydrophobicContact CD2-CG2 3.56Å; Y691-V704 HydrophobicContact CE2-CG2 3.26Å; Y691-V704 HydrophobicContact CG-CG2 4.41Å; Y691-L740 HydrophobicContact CD1-CB 3.98Å; Y691-L740 HydrophobicContact CD1-CD1 3.85Å; Y691-L740 HydrophobicContact CE1-CB 4.01Å; Y691-L740 HydrophobicContact CE1-CD1 3.34Å; Y691-L740 HydrophobicContact CE1-CG 4.29Å
692S59.8Low75.8Confident33 Ų3358.1 Ų58.123%0.23131%0.306CS..  trans-97.2169.5-179.8-48.90000110W690 A694 E734W690-S692 PolarHBondContact O-N 2.91Å; W690-S692 PolarHBondContact O-OG 2.93Å; S692-A694 PolarHBondContact O-N 3Å; S692-E734 WeakPolarHBondContact CB-O 3.29Å
693N59.9Low75.8Confident53 Ų5355.8 Ų55.828%0.28330%0.295SS..EExtended strand (participates in β ladder)trans-72.5115.7169.5-78.2-10000109.1Q695 F733 E734 R736N693-Q695 PolarHBondContact O-N 3.47Å; N693-F733 WeakPolarHBondContact O-CA 3.35Å; N693-E734 HydrophobicContact CB-CB 4.07Å; N693-E734 PolarHBondContact N-O 2.88Å; N693-E734 PolarHBondContact O-N 3.46Å; N693-R736 VanDerWaalsContact OD1-CG 3.3Å; N693-R736 WeakPolarHBondContact OD1-CG 3.44Å; N693-R736 PolarHBondContact OD1-NE 3.02Å; N693-R736 PolarHBondContact OD1-NH1 3.08Å; N693-R736 PolarHBondContact OD1-NH2 3.26Å
694A65.7Low75.5Confident9 Ų955.9 Ų55.97%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-79.7105.6171.800000109.2S692 G696 F697 V702 V731 F733S692-A694 PolarHBondContact O-N 3Å; A694-G696 PolarHBondContact O-N 2.78Å; A694-F697 HydrophobicContact CB-CD2 4.3Å; A694-F697 PolarHBondContact O-N 3.21Å; A694-V702 HydrophobicContact CB-CG2 4.22Å; A694-V731 HydrophobicContact CB-CG1 3.82Å; A694-F733 HydrophobicContact CB-CD1 4.27Å; A694-F733 HydrophobicContact CB-CE1 3.87Å
695Q67.1Low75.6Confident84 Ų8454.7 Ų54.739%0.39329%0.291SS..THydrogen-bonded Turntrans-58.4136.3178.7-75.5-168.7-6.800110.9N693 L732 E734N693-Q695 PolarHBondContact O-N 3.47Å; Q695-L732 HydrophobicContact CB-CB 4.3Å; Q695-L732 WeakPolarHBondContact CB-O 3.36Å; Q695-L732 HydrophobicContact CG-CB 4.2Å; Q695-L732 WeakPolarHBondContact CG-O 3.35Å; Q695-L732 PolarHBondContact N-O 3.3Å; Q695-E734 HydrophobicContact CG-CG 4.29Å; Q695-E734 PolarHBondContact NE2-OE1 3.22Å
696G73.1Confident75.5Confident84 Ų8456.2 Ų56.287%0.86630%0.298SS*.THydrogen-bonded Turntrans91.4-2.6176.800000116A694A694-G696 PolarHBondContact O-N 2.78Å
697F79.2Confident75.9Confident50 Ų5056.5 Ų56.522%0.21930%0.3CS..SBendtrans-114.5149.3172.5-66.1-90.5000110.9K682 C683 Y684 A694 V702 V731K682-F697 HydrophobicContact CB-CE1 3.85Å; K682-F697 HydrophobicContact CB-CZ 4.43Å; C683-F697 VanDerWaalsContact C-CE1 3.42Å; C683-F697 VanDerWaalsContact O-CE1 3.27Å; C683-F697 WeakPolarHBondContact O-CE1 3.35Å; Y684-F697 HydrophobicContact CD2-CE2 4.07Å; Y684-F697 HydrophobicContact CD2-CZ 4.09Å; Y684-F697 HydrophobicContact CG-CE2 4.39Å; A694-F697 HydrophobicContact CB-CD2 4.3Å; A694-F697 PolarHBondContact O-N 3.21Å; F697-V702 HydrophobicContact CB-CG2 3.8Å; F697-V731 HydrophobicContact CE2-CG1 4.46Å; F697-V731 HydrophobicContact CE2-CG2 4Å
698M80.2Confident76.5Confident131 Ų13158.4 Ų58.465%0.64531%0.308SS*.  trans-75.8151.6167.3-61.1-62.7169.200109.3E700 D701M698-E700 WeakPolarHBondContact CB-OE2 3.29Å; M698-E700 PolarHBondContact O-N 3.03Å; M698-D701 PolarHBondContact O-N 3.24Å
699D76.4Confident77.5Confident88 Ų8856.4 Ų56.447%0.47130%0.295SS..G310 helixtrans-59-30.4-178.5-96-38000111.5D701 V702 R736D699-D701 VanDerWaalsContact C-N 3.27Å; D699-D701 PolarHBondContact O-N 3.35Å; D699-V702 PolarHBondContact O-N 3.24Å; D699-R736 IonicContact OD1-CZ 3.53Å; D699-R736 IonicContact OD1-NH1 3.33Å; D699-R736 PolarHBondContact OD1-NH1 2.97Å; D699-R736 IonicContact OD1-NH2 2.77Å; D699-R736 PolarHBondContact OD1-NH2 3.36Å; D699-R736 IonicContact OD2-NH1 3.68Å
700E84.2Confident78.6Confident125 Ų12550 Ų5058%0.58426%0.261SS*.G310 helixtrans-70.9-16.5175.9-56.782.9-178.300114.4M698 Y703M698-E700 WeakPolarHBondContact CB-OE2 3.29Å; M698-E700 PolarHBondContact O-N 3.03Å; E700-Y703 PolarHBondContact O-OH 3.34Å
701D88.9Confident79.4Confident47 Ų4745.1 Ų45.125%0.25125%0.251SS..G310 helixtrans-98.61.9-179.8-69.7-38.8000113.3Y612 C683 Y684 M698 D699Y612-D701 WeakPolarHBondContact CE2-OD1 3.41Å; Y612-D701 VanDerWaalsContact CZ-OD1 3.27Å; Y612-D701 PolarHBondContact OH-OD1 2.88Å; C683-D701 WeakPolarHBondContact CA-O 3.42Å; C683-D701 WeakPolarHBondContact CB-O 3.24Å; Y684-D701 PolarHBondContact N-O 2.79Å; M698-D701 PolarHBondContact O-N 3.24Å; D699-D701 VanDerWaalsContact C-N 3.27Å; D699-D701 PolarHBondContact O-N 3.35Å
702V86.6Confident80Confident3 Ų347.1 Ų47.12%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-106119.1178.7-178.20000110.4I686 A694 F697 D699I686-V702 HydrophobicContact CG2-CG1 4.34Å; A694-V702 HydrophobicContact CB-CG2 4.22Å; F697-V702 HydrophobicContact CB-CG2 3.8Å; D699-V702 PolarHBondContact O-N 3.24Å
703Y90.3Very high80.9Confident11 Ų1146.4 Ų46.44%0.04325%0.252CS..EExtended strand (participates in β ladder)trans-114.1151.6-176.1-63-86.5000112.6Y612 I624 R648 H663 V665 C683 Y684 V685 I686 E700Y612-Y703 AromaticContact CE1-CE2 3.92Å; Y612-Y703 HydrophobicContact CE1-CE2 3.92Å; Y612-Y703 AromaticContact CZ-CE2 3.95Å; Y612-Y703 VanDerWaalsContact OH-CE2 3.3Å; Y612-Y703 WeakPolarHBondContact OH-CE2 3.5Å; Y612-Y703 PolarHBondContact OH-OH 3.06Å; I624-Y703 HydrophobicContact CD1-CD1 4.03Å; I624-Y703 HydrophobicContact CD1-CD2 3.68Å; I624-Y703 HydrophobicContact CD1-CE1 4.01Å; I624-Y703 HydrophobicContact CD1-CE2 3.67Å; I624-Y703 HydrophobicContact CD1-CG 3.87Å; I624-Y703 HydrophobicContact CG1-CE2 4.49Å; R648-Y703 PolarHBondContact NH1-OH 3.13Å; R648-Y703 PolarHBondContact NH2-OH 3.35Å; R648-Y703 VanDerWaalsContact NH2-OH 3.1Å; H663-Y703 HydrophobicContact CB-CD1 3.98Å; H663-Y703 HydrophobicContact CB-CE1 4.44Å; H663-Y703 AromaticContact CD2-CE1 3.98Å; H663-Y703 CarbonylContact O-C 3.54Å; H663-Y703 WeakPolarHBondContact O-CA 3.34Å; H663-Y703 WeakPolarHBondContact O-CB 3.45Å; H663-Y703 WeakPolarHBondContact O-CD1 3.4Å; V665-Y703 HydrophobicContact CG1-CD1 3.56Å; V665-Y703 HydrophobicContact CG1-CE1 4.41Å; V665-Y703 HydrophobicContact CG1-CG 3.89Å; C683-Y703 HydrophobicContact CB-CD2 4.41Å; C683-Y703 HydrophobicContact CB-CE2 4.14Å; Y684-Y703 PolarHBondContact O-N 3.45Å; V685-Y703 CarbonylContact C-O 3.53Å; V685-Y703 WeakPolarHBondContact CA-O 3.12Å; I686-Y703 PolarHBondContact N-O 3.12Å; E700-Y703 PolarHBondContact O-OH 3.34Å
704V87.7Confident82Confident4 Ų448.8 Ų48.82%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-109.4129.8-178-178.20000111.6L661 H663 E664 V665 I686 P688 Y691L661-V704 HydrophobicContact CD1-CG1 3.89Å; H663-V704 PolarHBondContact O-N 3.01Å; E664-V704 CarbonylContact C-O 3.58Å; E664-V704 WeakPolarHBondContact CA-O 3.4Å; V665-V704 PolarHBondContact N-O 3.48Å; I686-V704 HydrophobicContact CG2-CG2 4.33Å; I686-V704 CarbonylContact O-C 3.57Å; I686-V704 WeakPolarHBondContact O-CA 3.23Å; P688-V704 HydrophobicContact CB-CG1 3.78Å; P688-V704 HydrophobicContact CG-CG1 3.74Å; Y691-V704 HydrophobicContact CD2-CG2 3.56Å; Y691-V704 HydrophobicContact CE2-CG2 3.26Å; Y691-V704 HydrophobicContact CG-CG2 4.41Å
705C90.6Very high82.8Confident0 Ų053.1 Ų53.10%028%0.279CS..  trans-122.9114.2177.6-167.70000113F646 V665 I667 V685 I686 W722F646-C705 HydrophobicContact CE1-CB 4.43Å; V665-C705 HydrophobicContact CG2-CB 4.19Å; V665-C705 WeakPolarHBondContact O-CA 3.45Å; V665-C705 PolarHBondContact O-SG 3.1Å; I667-C705 PolarHBondContact N-SG 3.33Å; V685-C705 HydrophobicContact CG1-CB 3.59Å; I686-C705 PolarHBondContact O-N 3.47Å; C705-W722 HydrophobicContact CB-CH2 4.34Å; C705-W722 HydrophobicContact CB-CZ3 4.19Å
706E86.6Confident83.9Confident32 Ų3250.3 Ų50.315%0.1527%0.266CS..  trans-100.9-24.6171.7-76-165.4-166.400114.5P688 K718 L719 R744P688-E706 HydrophobicContact CG-CG 3.27Å; P688-E706 WeakPolarHBondContact CG-OE1 3.25Å; E706-K718 IonicContact OE2-NZ 3.61Å; E706-L719 PolarHBondContact O-N 2.84Å; E706-R744 IonicContact OE1-NH2 3.56Å; E706-R744 PolarHBondContact OE1-NH2 3.29Å; E706-R744 IonicContact OE2-CZ 3.97Å; E706-R744 IonicContact OE2-NH2 2.78Å; E706-R744 PolarHBondContact OE2-NH2 3.44Å
707S90.2Very high84.6Confident9 Ų950.7 Ų50.76%0.06324%0.243CC..EExtended strand (participates in β ladder)trans-141.4143.3-160.4-63.10000111.6F666 K717F666-S707 WeakPolarHBondContact CA-O 3.3Å; S707-K717 CarbonylContact C-O 3.54Å; S707-K717 WeakPolarHBondContact CA-O 3.44Å
708K90.5Very high84.9Confident68 Ų6855.1 Ų55.130%0.29626%0.262SS..EExtended strand (participates in β ladder)trans-77.8128.5163.7-172.1174.9-174.5-171.40109.5I667 L710 F716 K717 L719I667-K708 HydrophobicContact CG2-CB 3.8Å; I667-K708 HydrophobicContact CG2-CG 4.08Å; I667-K708 CarbonylContact O-C 3.53Å; I667-K708 WeakPolarHBondContact O-CA 3.49Å; I667-K708 WeakPolarHBondContact O-CG 3.46Å; K708-L710 HydrophobicContact CD-CD2 3.77Å; K708-L710 HydrophobicContact CG-CD2 4.02Å; K708-F716 CarbonylContact O-C 3.57Å; K708-F716 WeakPolarHBondContact O-CA 3.49Å; K708-K717 PolarHBondContact N-O 2.58Å; K708-K717 PolarHBondContact O-N 3.45Å; K708-L719 HydrophobicContact CB-CD2 4.16Å
709Y91.9Very high84.9Confident3 Ų351.3 Ų51.31%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-93.3127.6166.7-175.6-114.8000109.2Y647 T652 F653 I667 K714 H715 F716Y647-Y709 HydrophobicContact CD2-CD1 4.07Å; Y647-Y709 HydrophobicContact CD2-CE1 4.4Å; T652-Y709 HydrophobicContact CG2-CD1 3.65Å; T652-Y709 HydrophobicContact CG2-CD2 4.02Å; T652-Y709 HydrophobicContact CG2-CE1 3.82Å; T652-Y709 HydrophobicContact CG2-CE2 4.19Å; T652-Y709 HydrophobicContact CG2-CG 3.75Å; F653-Y709 WeakPolarHBondContact CB-OH 3.4Å; F653-Y709 PolarHBondContact N-OH 3.48Å; F653-Y709 PolarHBondContact O-OH 3.23Å; I667-Y709 PolarHBondContact O-N 3.47Å; Y709-K714 WeakPolarHBondContact OH-CA 3.45Å; Y709-H715 WeakPolarHBondContact CD2-O 3.5Å; Y709-F716 AromaticContact CD2-CD1 3.76Å; Y709-F716 HydrophobicContact CD2-CD1 3.76Å; Y709-F716 AromaticContact CD2-CD2 3.98Å; Y709-F716 HydrophobicContact CD2-CD2 3.98Å; Y709-F716 AromaticContact CD2-CE1 3.55Å; Y709-F716 HydrophobicContact CD2-CE1 3.55Å; Y709-F716 AromaticContact CD2-CE2 3.78Å; Y709-F716 HydrophobicContact CD2-CE2 3.78Å; Y709-F716 AromaticContact CD2-CG 3.98Å; Y709-F716 HydrophobicContact CD2-CG 3.98Å; Y709-F716 AromaticContact CD2-CZ 3.57Å; Y709-F716 HydrophobicContact CD2-CZ 3.57Å; Y709-F716 HydrophobicContact CE2-CD2 4.11Å; Y709-F716 HydrophobicContact CE2-CE1 4.14Å; Y709-F716 AromaticContact CE2-CE2 3.63Å; Y709-F716 HydrophobicContact CE2-CE2 3.63Å; Y709-F716 AromaticContact CE2-CZ 3.65Å; Y709-F716 HydrophobicContact CE2-CZ 3.65Å; Y709-F716 HydrophobicContact CG-CE1 4.32Å
710L85Confident84.8Confident19 Ų1958.9 Ų58.910%0.09927%0.266CS..EExtended strand (participates in β ladder)trans-103.494.2179.6-61.1172.8000107.7K708 R712 V713 K714 H715 K717K708-L710 HydrophobicContact CD-CD2 3.77Å; K708-L710 HydrophobicContact CG-CD2 4.02Å; L710-R712 VanDerWaalsContact C-N 3.31Å; L710-R712 PolarHBondContact O-N 3.15Å; L710-V713 HydrophobicContact CB-CG2 3.27Å; L710-V713 HydrophobicContact CD1-CG2 3.96Å; L710-V713 HydrophobicContact CG-CG2 4.26Å; L710-V713 WeakPolarHBondContact O-CG2 3.43Å; L710-V713 PolarHBondContact O-N 3.44Å; L710-K714 PolarHBondContact O-N 3.35Å; L710-H715 PolarHBondContact N-O 3.49Å; L710-K717 HydrophobicContact CD1-CB 4.48Å
711G75.1Confident84Confident29 Ų2957.4 Ų57.430%0.29927%0.266SS..THydrogen-bonded Turntrans-60.5-37-164.600000114
712R70.6Confident83.4Confident108 Ų10857.3 Ų57.341%0.40826%0.262SS..THydrogen-bonded Turntrans-58.6-53172.8-72.6-178.9167.4-162.8-8.6111.1R476 S481 L710R476-R712 PolarHBondContact NH1-O 2.84Å; S481-R712 PolarHBondContact OG-NH2 3.09Å; S481-R712 VanDerWaalsContact OG-NH2 3.12Å; L710-R712 VanDerWaalsContact C-N 3.31Å; L710-R712 PolarHBondContact O-N 3.15Å
713V79.8Confident82.3Confident17 Ų1764.4 Ų64.410%0.10330%0.295CS..THydrogen-bonded Turntrans-84.9-8.7-171.8-60.70000114.7D474 R476 L710 H715D474-V713 HydrophobicContact CB-CB 4.07Å; D474-V713 HydrophobicContact CB-CG1 3.35Å; D474-V713 HydrophobicContact CB-CG2 4.39Å; D474-V713 WeakPolarHBondContact OD2-CG2 3.28Å; R476-V713 HydrophobicContact CG-CG1 4.18Å; R476-V713 VanDerWaalsContact NE-CG1 3.34Å; L710-V713 HydrophobicContact CB-CG2 3.27Å; L710-V713 HydrophobicContact CD1-CG2 3.96Å; L710-V713 HydrophobicContact CG-CG2 4.26Å; L710-V713 WeakPolarHBondContact O-CG2 3.43Å; L710-V713 PolarHBondContact O-N 3.44Å; V713-H715 HydrophobicContact CB-CB 4.33Å; V713-H715 HydrophobicContact CG2-CB 3.59Å; V713-H715 PolarHBondContact O-N 2.83Å
714K83.2Confident81.1Confident103 Ų10365.3 Ų65.345%0.44830%0.3SS..THydrogen-bonded Turntrans58.231.5-176.3-55.3-177.9176.7-158.90112.2F653 Y709 L710F653-K714 HydrophobicContact CB-CB 4Å; F653-K714 HydrophobicContact CB-CD 3.66Å; F653-K714 HydrophobicContact CB-CG 3.89Å; F653-K714 HydrophobicContact CD1-CD 4.21Å; F653-K714 HydrophobicContact CD2-CD 3.7Å; F653-K714 HydrophobicContact CD2-CG 3.91Å; F653-K714 VanDerWaalsContact CE1-NZ 3.3Å; F653-K714 HydrophobicContact CE2-CD 4.41Å; F653-K714 HydrophobicContact CG-CD 3.58Å; F653-K714 HydrophobicContact CG-CG 4.09Å; F653-K714 VanDerWaalsContact CZ-NZ 3.33Å; Y709-K714 WeakPolarHBondContact OH-CA 3.45Å; L710-K714 PolarHBondContact O-N 3.35Å
715H82.6Confident79.3Confident100 Ų10072.1 Ų72.146%0.46334%0.337SS..EExtended strand (participates in β ladder)trans-114.7154.9-174.5-168.977.5000111.9Y709 L710 V713Y709-H715 WeakPolarHBondContact CD2-O 3.5Å; L710-H715 PolarHBondContact N-O 3.49Å; V713-H715 HydrophobicContact CB-CB 4.33Å; V713-H715 HydrophobicContact CG2-CB 3.59Å; V713-H715 PolarHBondContact O-N 2.83Å
716F88.5Confident77.3Confident26 Ų2673.4 Ų73.411%0.11435%0.345CS..EExtended strand (participates in β ladder)trans-120.2112.7-179-64.7-101.9000110.3T652 F653 H654 R658 F666 K708 Y709T652-F716 HydrophobicContact CG2-CE1 4.27Å; T652-F716 HydrophobicContact CG2-CZ 4.28Å; F653-F716 WeakPolarHBondContact O-CE2 3.47Å; H654-F716 HydrophobicContact CB-CE2 4.01Å; H654-F716 HydrophobicContact CB-CZ 4.07Å; R658-F716 VanDerWaalsContact CZ-CG 3.41Å; R658-F716 VanDerWaalsContact NH1-CD2 3.32Å; R658-F716 VanDerWaalsContact NH2-CG 3.27Å; F666-F716 AromaticContact CD1-CD1 3.87Å; F666-F716 HydrophobicContact CD1-CD1 3.87Å; F666-F716 AromaticContact CD1-CE1 3.94Å; F666-F716 HydrophobicContact CD1-CE1 3.94Å; F666-F716 AromaticContact CD2-CE1 3.97Å; F666-F716 HydrophobicContact CD2-CE1 3.97Å; F666-F716 AromaticContact CE1-CD1 3.91Å; F666-F716 HydrophobicContact CE1-CD1 3.91Å; F666-F716 AromaticContact CE1-CE1 3.84Å; F666-F716 HydrophobicContact CE1-CE1 3.84Å; F666-F716 AromaticContact CE2-CE1 3.88Å; F666-F716 HydrophobicContact CE2-CE1 3.88Å; F666-F716 HydrophobicContact CG-CD1 4.28Å; F666-F716 HydrophobicContact CG-CE1 4.02Å; F666-F716 HydrophobicContact CZ-CD1 4.36Å; F666-F716 AromaticContact CZ-CE1 3.83Å; F666-F716 HydrophobicContact CZ-CE1 3.83Å; K708-F716 CarbonylContact O-C 3.57Å; K708-F716 WeakPolarHBondContact O-CA 3.49Å; Y709-F716 AromaticContact CD2-CD1 3.76Å; Y709-F716 HydrophobicContact CD2-CD1 3.76Å; Y709-F716 AromaticContact CD2-CD2 3.98Å; Y709-F716 HydrophobicContact CD2-CD2 3.98Å; Y709-F716 AromaticContact CD2-CE1 3.55Å; Y709-F716 HydrophobicContact CD2-CE1 3.55Å; Y709-F716 AromaticContact CD2-CE2 3.78Å; Y709-F716 HydrophobicContact CD2-CE2 3.78Å; Y709-F716 AromaticContact CD2-CG 3.98Å; Y709-F716 HydrophobicContact CD2-CG 3.98Å; Y709-F716 AromaticContact CD2-CZ 3.57Å; Y709-F716 HydrophobicContact CD2-CZ 3.57Å; Y709-F716 HydrophobicContact CE2-CD2 4.11Å; Y709-F716 HydrophobicContact CE2-CE1 4.14Å; Y709-F716 AromaticContact CE2-CE2 3.63Å; Y709-F716 HydrophobicContact CE2-CE2 3.63Å; Y709-F716 AromaticContact CE2-CZ 3.65Å; Y709-F716 HydrophobicContact CE2-CZ 3.65Å; Y709-F716 HydrophobicContact CG-CE1 4.32Å
717K88.1Confident75.1Confident92 Ų9276.5 Ų76.540%0.437%0.37SS..EExtended strand (participates in β ladder)trans-103.7116-179.1-171.7174.9-175179.40109.7E473 S707 K708 L710 L719E473-K717 IonicContact OE1-NZ 3.7Å; E473-K717 IonicContact OE2-NZ 2.78Å; E473-K717 PolarHBondContact OE2-NZ 2.95Å; S707-K717 CarbonylContact C-O 3.54Å; S707-K717 WeakPolarHBondContact CA-O 3.44Å; K708-K717 PolarHBondContact N-O 2.58Å; K708-K717 PolarHBondContact O-N 3.45Å; L710-K717 HydrophobicContact CD1-CB 4.48Å; K717-L719 PolarHBondContact O-N 3.14Å
718K85.5Confident72.7Confident143 Ų14384.9 Ų84.962%0.62241%0.408SS*.EExtended strand (participates in β ladder)trans-62.3135.6-179.8-168.9167.3-174.3162.90111.1E706E706-K718 IonicContact OE2-NZ 3.61Å
719L81.7Confident70.5Confident51 Ų5183.8 Ų83.827%0.26741%0.41SS..  trans-69.6137.6179.8-64173.2000110.8I667 E706 K708 K717 W722I667-L719 HydrophobicContact CG2-CD1 4.04Å; I667-L719 HydrophobicContact CG2-CD2 3.9Å; I667-L719 HydrophobicContact CG2-CG 4.42Å; E706-L719 PolarHBondContact O-N 2.84Å; K708-L719 HydrophobicContact CB-CD2 4.16Å; K717-L719 PolarHBondContact O-N 3.14Å; L719-W722 HydrophobicContact CD1-CE3 4.05Å; L719-W722 HydrophobicContact CD1-CZ3 3.99Å
720R72.5Confident68.6Low246 Ų24691.4 Ų91.493%0.92845%0.45SS*.SBendtrans-102.9-26.8175-66.2-171.3179.3-157.71.2113.1
721T67.7Low67.4Low95 Ų9591.7 Ų91.758%0.58345%0.453SS*.SBendtrans-145.5137.7-176.8-51.90000107.7E723T721-E723 HydrophobicContact CG2-CG 4.07Å; T721-E723 PolarHBondContact O-N 3.4Å
722W76.7Confident66.7Low45 Ų4595.7 Ų95.717%0.1747%0.467CS..  trans-92.195.7175.2-174.3-109.2000108.8F610 F646 V685 I687 C705 L719 M724F610-W722 HydrophobicContact CZ-CZ2 4.13Å; F646-W722 HydrophobicContact CE1-CH2 4.4Å; V685-W722 HydrophobicContact CG1-CH2 4.2Å; I687-W722 HydrophobicContact CD1-CB 4.4Å; I687-W722 HydrophobicContact CG2-CB 4.31Å; I687-W722 HydrophobicContact CG2-CD2 3.54Å; I687-W722 HydrophobicContact CG2-CE3 3.25Å; I687-W722 HydrophobicContact CG2-CG 4.03Å; I687-W722 HydrophobicContact CG2-CH2 4.37Å; I687-W722 HydrophobicContact CG2-CZ3 3.71Å; C705-W722 HydrophobicContact CB-CH2 4.34Å; C705-W722 HydrophobicContact CB-CZ3 4.19Å; L719-W722 HydrophobicContact CD1-CE3 4.05Å; L719-W722 HydrophobicContact CD1-CZ3 3.99Å; W722-M724 VanDerWaalsContact C-N 3.29Å; W722-M724 HydrophobicContact CD2-CB 4.37Å; W722-M724 HydrophobicContact CD2-CG 4.33Å; W722-M724 HydrophobicContact CH2-CG 4.15Å; W722-M724 HydrophobicContact CZ2-CB 3.98Å; W722-M724 HydrophobicContact CZ2-CG 3.84Å; W722-M724 PolarHBondContact O-N 2.99Å
723E63.8Low66.5Low152 Ų15294.5 Ų94.571%0.7147%0.465SS*.  trans-88.98.4-175.5-61.8179.517500113.2T721 N725T721-E723 HydrophobicContact CG2-CG 4.07Å; T721-E723 PolarHBondContact O-N 3.4Å; E723-N725 VanDerWaalsContact C-N 3.27Å; E723-N725 PolarHBondContact O-N 3.44Å
724M65.8Low65.6Low30 Ų3098.5 Ų98.515%0.14848%0.482CS..  trans-79.580.6171.8-55.5-66.591.400108.5F626 I667 W722 C726F626-M724 HydrophobicContact CD1-SD 3.74Å; F626-M724 HydrophobicContact CD2-SD 4.49Å; F626-M724 HydrophobicContact CE1-SD 3.84Å; F626-M724 HydrophobicContact CE2-CB 4.44Å; F626-M724 HydrophobicContact CG-SD 4.09Å; F626-M724 HydrophobicContact CZ-CB 4.34Å; F626-M724 HydrophobicContact CZ-SD 4.25Å; I667-M724 HydrophobicContact CD1-CE 4.18Å; I667-M724 HydrophobicContact CD1-SD 4.32Å; W722-M724 VanDerWaalsContact C-N 3.29Å; W722-M724 HydrophobicContact CD2-CB 4.37Å; W722-M724 HydrophobicContact CD2-CG 4.33Å; W722-M724 HydrophobicContact CH2-CG 4.15Å; W722-M724 HydrophobicContact CZ2-CB 3.98Å; W722-M724 HydrophobicContact CZ2-CG 3.84Å; W722-M724 PolarHBondContact O-N 2.99Å; M724-C726 PolarHBondContact O-N 3.38Å
725N49.4Very low64.2Low147 Ų147102.4 Ų102.479%0.78650%0.502SS*.  trans-68.780.1171.4-70.8-11.3000109.7E723 S727E723-N725 VanDerWaalsContact C-N 3.27Å; E723-N725 PolarHBondContact O-N 3.44Å; N725-S727 PolarHBondContact O-N 2.92Å
726C48.5Very low63.2Low27 Ų2799.8 Ų99.818%0.18249%0.488CS..  trans-58.7120.3159.1-60.30000107.1M724 E728 S729M724-C726 PolarHBondContact O-N 3.38Å; C726-E728 PolarHBondContact O-N 3.21Å; C726-S729 WeakPolarHBondContact CB-OG 3.44Å
727S41Very low61.8Low97 Ų97107.1 Ų107.168%0.67853%0.528SS*.SBendtrans-68.495.1177.849.80000109.5N725 S729N725-S727 PolarHBondContact O-N 2.92Å; S727-S729 PolarHBondContact O-N 3.47Å
728E38.5Very low60.2Low184 Ų184107.9 Ų107.986%0.8654%0.54SS*.SBendtrans37.948.8177-65.4-177.7157.100112.8C726 D730C726-E728 PolarHBondContact O-N 3.21Å; E728-D730 PolarHBondContact O-N 3.27Å; E728-D730 VanDerWaalsContact O-N 3.09Å
729S45.1Very low58.8Low46 Ų46106.4 Ų106.432%0.32255%0.545SS..  trans-61.3118.6-177.150.70000109.3C726 S727 V731C726-S729 WeakPolarHBondContact CB-OG 3.44Å; S727-S729 PolarHBondContact O-N 3.47Å; S729-V731 PolarHBondContact O-N 2.91Å
730D51.2Low57.5Low162 Ų162108.3 Ų108.387%0.86656%0.555SS**  trans-60.815.9-175.3-60.5-67.5000115.5E728 L732E728-D730 PolarHBondContact O-N 3.27Å; E728-D730 VanDerWaalsContact O-N 3.09Å; D730-L732 PolarHBondContact O-N 3.37Å
731V59.8Low56.7Low26 Ų26102.1 Ų102.116%0.15854%0.544CS..  trans-69.695.1173.9-174.80000108.4Y684 A694 F697 S729 F733Y684-V731 HydrophobicContact CD2-CG2 4.45Å; Y684-V731 HydrophobicContact CE2-CG2 4.05Å; A694-V731 HydrophobicContact CB-CG1 3.82Å; F697-V731 HydrophobicContact CE2-CG1 4.46Å; F697-V731 HydrophobicContact CE2-CG2 4Å; S729-V731 PolarHBondContact O-N 2.91Å; V731-F733 HydrophobicContact CB-CE2 4.43Å; V731-F733 HydrophobicContact CB-CZ 4.22Å; V731-F733 HydrophobicContact CG1-CE1 3.91Å; V731-F733 HydrophobicContact CG1-CE2 4.32Å; V731-F733 HydrophobicContact CG1-CZ 3.79Å; V731-F733 VanDerWaalsContact O-CD2 3.29Å; V731-F733 WeakPolarHBondContact O-CD2 3.41Å; V731-F733 VanDerWaalsContact O-CE2 3.27Å; V731-F733 WeakPolarHBondContact O-CE2 3.42Å; V731-F733 PolarHBondContact O-N 2.84Å
732L61.4Low56.4Low112 Ų112102.3 Ų102.359%0.58655%0.547SS*.PPolyproline II helixtrans-65.4129.7170.7-68.3170.8000109.4Q695 D730Q695-L732 HydrophobicContact CB-CB 4.3Å; Q695-L732 WeakPolarHBondContact CB-O 3.36Å; Q695-L732 HydrophobicContact CG-CB 4.2Å; Q695-L732 WeakPolarHBondContact CG-O 3.35Å; Q695-L732 PolarHBondContact N-O 3.3Å; D730-L732 PolarHBondContact O-N 3.37Å
733F65.3Low55.7Low84 Ų84105.4 Ų105.437%0.36857%0.566SS.*EExtended strand (participates in β ladder)trans-100.9117.8176.9-67-73.5000110.1Y684 I686 N693 A694 V731Y684-F733 HydrophobicContact CE1-CE1 4.18Å; Y684-F733 AromaticContact CE1-CZ 3.78Å; Y684-F733 HydrophobicContact CE1-CZ 3.78Å; I686-F733 HydrophobicContact CD1-CD1 4.07Å; I686-F733 HydrophobicContact CD1-CE1 3.44Å; I686-F733 VanDerWaalsContact CD1-CE1 3.44Å; I686-F733 HydrophobicContact CD1-CZ 4.03Å; N693-F733 WeakPolarHBondContact O-CA 3.35Å; A694-F733 HydrophobicContact CB-CD1 4.27Å; A694-F733 HydrophobicContact CB-CE1 3.87Å; V731-F733 HydrophobicContact CB-CE2 4.43Å; V731-F733 HydrophobicContact CB-CZ 4.22Å; V731-F733 HydrophobicContact CG1-CE1 3.91Å; V731-F733 HydrophobicContact CG1-CE2 4.32Å; V731-F733 HydrophobicContact CG1-CZ 3.79Å; V731-F733 VanDerWaalsContact O-CD2 3.29Å; V731-F733 WeakPolarHBondContact O-CD2 3.41Å; V731-F733 VanDerWaalsContact O-CE2 3.27Å; V731-F733 WeakPolarHBondContact O-CE2 3.42Å; V731-F733 PolarHBondContact O-N 2.84Å
734E60.9Low56.4Low101 Ų101102.6 Ų102.647%0.47255%0.549SS..EExtended strand (participates in β ladder)trans-90.5137171.3-73-179.7-179.400111.1S692 N693 Q695 R736S692-E734 WeakPolarHBondContact CB-O 3.29Å; N693-E734 HydrophobicContact CB-CB 4.07Å; N693-E734 PolarHBondContact N-O 2.88Å; N693-E734 PolarHBondContact O-N 3.46Å; Q695-E734 HydrophobicContact CG-CG 4.29Å; Q695-E734 PolarHBondContact NE2-OE1 3.22Å; E734-R736 PolarHBondContact O-N 3.26Å
735E54.1Low56.7Low184 Ų184106.9 Ų106.986%0.8657%0.566SS**PPolyproline II helixtrans-66.4121.9172.9-171.7170.6-158.600109.9L737E735-L737 PolarHBondContact O-N 3.06Å
736R61Low57.3Low46 Ų46103.1 Ų103.117%0.17455%0.55CS..PPolyproline II helixtrans-67.7123.9179.9-70.8-168.5-174.4-110.95.6109.5N693 D699 E734 V738 L740N693-R736 VanDerWaalsContact OD1-CG 3.3Å; N693-R736 WeakPolarHBondContact OD1-CG 3.44Å; N693-R736 PolarHBondContact OD1-NE 3.02Å; N693-R736 PolarHBondContact OD1-NH1 3.08Å; N693-R736 PolarHBondContact OD1-NH2 3.26Å; D699-R736 IonicContact OD1-CZ 3.53Å; D699-R736 IonicContact OD1-NH1 3.33Å; D699-R736 PolarHBondContact OD1-NH1 2.97Å; D699-R736 IonicContact OD1-NH2 2.77Å; D699-R736 PolarHBondContact OD1-NH2 3.36Å; D699-R736 IonicContact OD2-NH1 3.68Å; E734-R736 PolarHBondContact O-N 3.26Å; R736-V738 PolarHBondContact O-N 2.98Å; R736-L740 VanDerWaalsContact CZ-CD1 3.49Å
737L59.4Low58.1Low180 Ų180105.5 Ų105.594%0.94256%0.558SS**SBendtrans-55-20.4175.3-67.5172.3000114E735E735-L737 PolarHBondContact O-N 3.06Å
738V55.5Low58.4Low108 Ų108106.4 Ų106.466%0.65556%0.558SS**SBendtrans-128.8120.6172.7-177.90000108.5R736 L740R736-V738 PolarHBondContact O-N 2.98Å; V738-L740 PolarHBondContact O-N 2.84Å
739P55.1Low58.4Low112 Ų112105.9 Ų105.973%0.72755%0.554SS**  trans-60.4125.1174.8-24.334.2000111.5V741P739-V741 PolarHBondContact O-N 3.26Å
740L53.9Low57.8Low90 Ų90108.2 Ų108.247%0.47158%0.576SS.*  trans-73.1116175.8-81.3171.1000110.3Y691 R736 V738 P742Y691-L740 HydrophobicContact CD1-CB 3.98Å; Y691-L740 HydrophobicContact CD1-CD1 3.85Å; Y691-L740 HydrophobicContact CE1-CB 4.01Å; Y691-L740 HydrophobicContact CE1-CD1 3.34Å; Y691-L740 HydrophobicContact CE1-CG 4.29Å; R736-L740 VanDerWaalsContact CZ-CD1 3.49Å; V738-L740 PolarHBondContact O-N 2.84Å; L740-P742 WeakPolarHBondContact O-CD 3.46Å
741V56Low56.7Low117 Ų117104.2 Ų104.271%0.70957%0.573SS**  trans-72.2119.3173.8-179.80000108.4P739 I743P739-V741 PolarHBondContact O-N 3.26Å; V741-I743 PolarHBondContact O-N 3.25Å
742P61.6Low55.3Low99 Ų99113 Ų11364%0.64360%0.603SS**  trans-71.988.3-177.426.8-33.5000111.8L661 L740 R744L661-P742 HydrophobicContact CD2-CB 3.5Å; L740-P742 WeakPolarHBondContact O-CD 3.46Å; P742-R744 PolarHBondContact O-N 3.03Å
743I62Low53.8Low110 Ų110117 Ų11756%0.56462%0.619SS**  trans-79.4114.6176.4-59174.8000109.1V741 K745V741-I743 PolarHBondContact O-N 3.25Å; I743-K745 HydrophobicContact CG2-CG 4.16Å
744R78Confident51.9Low92 Ų92118.9 Ų118.935%0.34764%0.642SS.*  trans-92.5123.5172.2-63.9-169.7-177.2-150.23.3112.1K659 F660 L661 E706 P742K659-R744 HydrophobicContact CB-CB 3.61Å; F660-R744 CarbonylContact O-C 3.56Å; F660-R744 WeakPolarHBondContact O-CA 3.26Å; L661-R744 HydrophobicContact CD2-CG 3.58Å; L661-R744 HydrophobicContact CG-CG 4.04Å; E706-R744 IonicContact OE1-NH2 3.56Å; E706-R744 PolarHBondContact OE1-NH2 3.29Å; E706-R744 IonicContact OE2-CZ 3.97Å; E706-R744 IonicContact OE2-NH2 2.78Å; E706-R744 PolarHBondContact OE2-NH2 3.44Å; P742-R744 PolarHBondContact O-N 3.03Å
745K72.4Confident50.6Low120 Ų120118 Ų11852%0.52265%0.652SS.*EExtended strand (participates in β ladder)trans-111.6143.6179.2-61172.9-170.6160.30110.7K659 F660 I743K659-K745 CarbonylContact C-O 3.47Å; K659-K745 VanDerWaalsContact CA-O 3.31Å; K659-K745 WeakPolarHBondContact CA-O 3.26Å; F660-K745 PolarHBondContact N-O 2.99Å; F660-K745 PolarHBondContact O-N 2.88Å; I743-K745 HydrophobicContact CG2-CG 4.16Å
746P63.4Low49.6Very low68 Ų68116.4 Ų116.444%0.44265%0.649SS.*EExtended strand (participates in β ladder)trans-66.3143.8171.229.6-33.7000110.4V748P746-V748 PolarHBondContact O-N 2.86Å
747F64.1Low48.5Very low78 Ų78121.8 Ų121.834%0.34268%0.68SS.*  trans-75.9115.3174.8-172.5-98.6000109.6P649 F660 F749P649-F747 HydrophobicContact CB-CD2 4.19Å; F660-F747 HydrophobicContact CD2-CB 3.91Å; F660-F747 HydrophobicContact CE2-CB 3.86Å; F747-F749 HydrophobicContact CE1-CD1 4.43Å
748V47.8Very low47.1Very low115 Ų115121.4 Ų121.470%0.69767%0.673SS**  trans-96.3122.6176.3-177.10000108.1P746 A750P746-V748 PolarHBondContact O-N 2.86Å; V748-A750 PolarHBondContact O-N 2.93Å
749F37.8Very low45.9Very low174 Ų174121.9 Ų121.976%0.76368%0.677SS**  trans-63.897.7170.9-75.7-88.9000109.6F747 G751F747-F749 HydrophobicContact CE1-CD1 4.43Å; F749-G751 PolarHBondContact O-N 3.07Å
750A33.1Very low44.7Very low95 Ų95122 Ų12279%0.78568%0.68SS**  trans-64124.2165.200000108.6V748V748-A750 PolarHBondContact O-N 2.93Å
751G27.7Very low43.9Very low78 Ų78122.7 Ų122.780%0.80469%0.69SS**  trans-64142.9-163.500000114.4F749F749-G751 PolarHBondContact O-N 3.07Å
752R30.2Very low42.6Very low211 Ų211124.3 Ų124.380%0.79670%0.695SS**  trans-119.7116156.1-83-172.9174.9169.71.2109.2G619G619-R752 PolarHBondContact O-NH2 2.94Å
753E30.3Very low41.2Very low196 Ų196125.6 Ų125.692%0.91670%0.701SS**  trans-21.8136.8171.7-68152161.700117.5
754S26.5Very low39.9Very low123 Ų123126.6 Ų126.686%0.8671%0.707SS**  trans-77.2128.8168.848.20000112.3
755A33.3Very low37.6Very low82 Ų82129.3 Ų129.368%0.67873%0.729SS**  trans-156101.8160.100000112
756D33.2Very low35.8Very low150 Ų150130 Ų13080%0.80274%0.742SS**  trans69.3158.2134.9-48.3-27.5000123.7
757I36.3Very low34.1Very low160 Ų160133.5 Ų133.582%0.82176%0.757SS**  trans81.887.1171.7-50.7173.6000113.1
758E30Very low32.6Very low171 Ų171135.5 Ų135.580%0.79978%0.781SS**  48122.658.8-67.5-166.7172.900112.8
759T31.6Very low31.5Very low119 Ų119137.5 Ų137.573%0.7379%0.788SS**  cis-167.7143.832.75.90000112.7
760S30.2Very low31Very low114 Ų114133.9 Ų133.980%0.79779%0.785SS**  trans69.9157.4136.4-69.40000125.3
761P35.5Very low30.7Very low105 Ų105138 Ų13868%0.68279%0.788SS**  trans-125-170.5-164.443-25.7000115.7
762N29.7Very low30.6Very low150 Ų150138.6 Ų138.680%0.80278%0.779SS**  trans75123.7173.8-64.4-19.5000118.1
763V31.6Very low30.3Very low126 Ų126136.7 Ų136.776%0.76478%0.779SS**  -165.6146.5119.3-100.90000112.6
764D35.8Very low30Very low132 Ų132133.2 Ų133.271%0.70677%0.771SS**  trans63.4120.7155.6-45.1-21.7000119.2
765D28.5Very low29.9Very low149 Ų149132 Ų13280%0.79776%0.763SS**  57.9130.467.9-69.7-34.4000112.1
766V36Very low29.6Very low133 Ų133134.6 Ų134.681%0.80677%0.77SS**  -16016552.2-136.70000113.6
767D27.4Very low29.1Very low142 Ų142133.5 Ų133.576%0.75976%0.764SS**  trans-40.6153.3170.5-66.4-58.1000118.9
768S31.5Very low28.7Very low120 Ų120133.2 Ų133.284%0.83976%0.759SS**  168.5147.694.546.40000115.2
769D26Very low28.5Very low157 Ų157134.1 Ų134.184%0.8477%0.765SS**  trans-83.7168.2-176.9-82.9-57.4000115.2
770S26.7Very low28.2Very low99 Ų99137.3 Ų137.369%0.69277%0.772SS**  trans93.8140.2139.378.30000121.1
771E26.6Very low27.9Very low182 Ų182140.2 Ų140.285%0.8577%0.766SS**  trans65.4151.3153.8-70.5-178.7-164.400118.9
772S25Very low27.4Very low89 Ų89141.1 Ų141.162%0.62277%0.773SS**  cis-161.7157.2-1854.10000110.6
773Q24.2Very low27.1Very low171 Ų171138.8 Ų138.880%0.79976%0.764SS**  trans47.4157.1143.3-64.8-176.828.300124.3
774T23.9Very low26.7Very low123 Ų123139 Ų13976%0.75577%0.766SS**  trans77.1104.1152.129.60000121.9
775S24.9Very low26.1Very low97 Ų97136.6 Ų136.668%0.67875%0.752SS**  46.9105119.2-179.10000119.8
776V26.8Very low25.9Very low137 Ų137136.9 Ų136.983%0.8375%0.752SS**  trans-125.990.3144.4-177.90000108.9
777L23.5Very low25.5Very low128 Ų128135.9 Ų135.967%0.6775%0.751SS**  trans-64.9159.2145.4-72.4164.8000108
778E26.4Very low25.5Very low153 Ų153135.4 Ų135.472%0.71575%0.747SS**  trans73103.5171.8-57.2169.1-170.700116.6
779M26.3Very low25.4Very low191 Ų191133.7 Ų133.794%0.94173%0.729SS**  -161.9149.4128.2-106.6171.97400110.6
780E26.6Very low25.6Very low185 Ų185131.1 Ų131.186%0.86472%0.723SS**  trans-92.7162.3-144.4-61.5166.5108.500116.8
781R23Very low25.5Very low176 Ų176131.1 Ų131.166%0.66472%0.722SS**  trans-81.1114.3167.4-83.2176.7159.8153.1-3.9110.3E991R781-E991 IonicContact CZ-OE2 2.85Å; R781-E991 IonicContact NH2-OE1 3.86Å; R781-E991 PolarHBondContact NH2-OE1 2.85Å; R781-E991 IonicContact NH2-OE2 3.25Å; R781-E991 PolarHBondContact NH2-OE2 2.78Å
782C24.5Very low25.6Very low124 Ų124127.3 Ų127.384%0.83872%0.716SS**  trans-87133.6160.1-169.70000110.8
783V23.1Very low25.7Very low101 Ų101129.8 Ų129.861%0.61272%0.715SS**  trans-113.7128.7-178.8175.80000109.5I785V783-I785 HydrophobicContact CG1-CD1 4.44Å; V783-I785 HydrophobicContact CG1-CG1 3.84Å
784T24.4Very low25.9Very low130 Ų130124.7 Ų124.780%0.79870%0.703SS**  trans-108.6128.3166-42.90000110.6
785I23.4Very low26Very low82 Ų82126.1 Ų126.142%0.42170%0.699SS.*  trans-110141.2-177.5-52.8-171.9000108.6V783 K1036V783-I785 HydrophobicContact CG1-CD1 4.44Å; V783-I785 HydrophobicContact CG1-CG1 3.84Å; I785-K1036 HydrophobicContact CB-CD 4.46Å; I785-K1036 HydrophobicContact CD1-CB 4.45Å; I785-K1036 HydrophobicContact CD1-CG 4.3Å; I785-K1036 HydrophobicContact CG1-CG 4.46Å; I785-K1036 HydrophobicContact CG2-CB 4Å; I785-K1036 HydrophobicContact CG2-CD 3.63Å; I785-K1036 HydrophobicContact CG2-CG 3.96Å
786L24.6Very low26.1Very low154 Ų154124.9 Ų124.981%0.80668%0.684SS**  trans123.9149.7149.8-64.8168.8000110.8
787S27.5Very low26Very low112 Ų112124.7 Ų124.778%0.78367%0.669SS**  cis-137-176.8-3.2540000110.6
788I26.6Very low26.1Very low132 Ų132124.4 Ų124.468%0.67766%0.659SS**  trans-93.2135.1-176.2-67.9156.4000109.3
789D28.5Very low26.1Very low84 Ų84125.5 Ų125.545%0.44967%0.67SS.*  trans-177.2150.2142.9-93.3-10.8000112.3L1161 I1162D789-L1161 WeakPolarHBondContact OD2-CA 3.33Å; D789-I1162 WeakPolarHBondContact OD1-CA 3.48Å; D789-I1162 PolarHBondContact OD1-N 3Å
790S30.4Very low26.1Very low104 Ų104121.8 Ų121.873%0.72765%0.653SS**  trans8787171.367.60000120.1I1162S790-I1162 VanDerWaalsContact CA-C 3.44Å; S790-I1162 VanDerWaalsContact CA-O 3.3Å; S790-I1162 WeakPolarHBondContact CA-O 3.16Å; S790-I1162 WeakPolarHBondContact CA-OXT 3.3Å; S790-I1162 PolarHBondContact N-O 3.43Å; S790-I1162 PolarHBondContact N-OXT 3.3Å
791C25.3Very low26.4Very low99 Ų99121.4 Ų121.467%0.66965%0.649SS**  trans-79.2134.9167.5-168.20000113.7I1162C791-I1162 PolarHBondContact N-OXT 3.26Å
792S27.9Very low26.7Very low102 Ų102117.6 Ų117.671%0.71365%0.65SS**  trans73.7156.8162.284.60000116.3
793K27.2Very low27Very low140 Ų140120.2 Ų120.261%0.60965%0.65SS**  cis-167.7154.613.5-142.8170.9-178.1-163.20110
794A28.4Very low27.3Very low65 Ų65119.9 Ų119.954%0.53766%0.657SS.*  trans26.4128.8145.300000123.1
795F26.7Very low27.7Very low153 Ų153118.7 Ų118.767%0.67165%0.65SS**  40128127.6-85.7-106.5000121.7
796L26Very low28.1Very low70 Ų70123.4 Ų123.437%0.36667%0.67SS.*  trans82.1127.7140.1-72.7165.7000122.3E840L796-E840 HydrophobicContact CD1-CB 4.15Å; L796-E840 HydrophobicContact CD1-CG 3.8Å; L796-E840 WeakPolarHBondContact CD1-OE1 3.26Å
797Y25.6Very low28.6Very low134 Ų134121.9 Ų121.953%0.52567%0.67SS.*  trans53.1123154.7-73.2-64.1000119.2L821 R841Y797-L821 WeakPolarHBondContact O-CD1 3.46Å; Y797-R841 HydrophobicContact CD2-CG 4.39Å
798R26Very low29.2Very low121 Ų121124.1 Ų124.146%0.45767%0.666SS.*  172.5108.6101.5-178.7-162.6-149.710921.3111.8L800 I842R798-L800 HydrophobicContact CG-CB 4.27Å; R798-L800 PolarHBondContact NE-O 3.03Å; R798-L800 VanDerWaalsContact NE-O 3.12Å; R798-I842 PolarHBondContact NH1-O 3.19Å; R798-I842 PolarHBondContact NH2-O 2.8Å
799N25.5Very low30Very low176 Ų176124.9 Ų124.994%0.94166%0.664SS**  trans-109.985148.8-90.4-15.1000108.6
800L27.4Very low31.1Very low113 Ų113123.5 Ų123.559%0.59266%0.656SS**  trans-146.5115.5164.4-96.2173.6000105.8R798R798-L800 HydrophobicContact CG-CB 4.27Å; R798-L800 PolarHBondContact NE-O 3.03Å; R798-L800 VanDerWaalsContact NE-O 3.12Å
801F31.6Very low31.9Very low177 Ų177122 Ų12278%0.77664%0.64SS**SBendtrans77.583.2-174.2-53.8-73.9000115.9
802S30.2Very low33.1Very low97 Ų97117.3 Ų117.368%0.67861%0.608SS**  trans14.5141.1131.351.50000120.3
803E29.7Very low34.2Very low178 Ų178118.6 Ų118.683%0.83261%0.612SS**SBendtrans70.194.2154.3-68.3172.7-170.500117.9
804A29.7Very low35.4Very low94 Ų94115 Ų11578%0.77760%0.604SS**  trans4686.7134.900000118.1
805T33Very low36.7Very low105 Ų105117 Ų11764%0.64460%0.601SS**  trans172.9109.1133.126.90000111.9
806Q32.2Very low38.4Very low181 Ų181118.2 Ų118.285%0.84661%0.608SS**  trans53.9155.4164.7-65-1685.600118.2K808Q806-K808 PolarHBondContact O-N 3.36Å
807P34.6Very low40.3Very low123 Ų123117.7 Ų117.780%0.79960%0.603SS**  trans-67.594.8170.427.8-33.9000109.7K809P807-K809 PolarHBondContact O-N 2.88Å
808K40.7Very low42.6Very low159 Ų159118.1 Ų118.169%0.69160%0.604SS**  trans-58.294.5-177.4-76.9174.9179.2164.90111.2Q806 L810Q806-K808 PolarHBondContact O-N 3.36Å; K808-L810 PolarHBondContact O-N 3.25Å
809K43.2Very low45.1Very low147 Ų147112.4 Ų112.464%0.63958%0.582SS**PPolyproline II helixtrans-54.9119.5159.9-63.4174.8178.6170.20107P807 W818P807-K809 PolarHBondContact O-N 2.88Å; K809-W818 HydrophobicContact CB-CD2 4.34Å; K809-W818 HydrophobicContact CB-CE3 3.51Å; K809-W818 HydrophobicContact CB-CZ3 3.91Å; K809-W818 HydrophobicContact CD-CE3 4.41Å
810L51.7Low47.6Very low55 Ų55109.2 Ų109.229%0.28856%0.56SS.*EExtended strand (participates in β ladder)trans-95.3121.2179.5-123.3141.4000108.8K808 S812 V819 I842 T849 I886K808-L810 PolarHBondContact O-N 3.25Å; L810-S812 PolarHBondContact O-N 3.18Å; L810-V819 PolarHBondContact N-O 2.94Å; L810-V819 PolarHBondContact O-N 2.85Å; L810-I842 HydrophobicContact CD1-CG2 3.86Å; L810-T849 HydrophobicContact CD1-CG2 4.3Å; L810-T849 HydrophobicContact CD2-CG2 3.9Å; L810-I886 HydrophobicContact CB-CD1 4.41Å; L810-I886 HydrophobicContact CD2-CD1 4.23Å
811L47.8Very low50.2Low73 Ų73106.4 Ų106.438%0.38255%0.545SS..EExtended strand (participates in β ladder)trans-74.2118.8175.1-164.282.3000107.9T813 W818L811-T813 PolarHBondContact O-N 3.13Å; L811-W818 HydrophobicContact CB-CE3 4.15Å; L811-W818 HydrophobicContact CB-CZ3 4.01Å; L811-W818 HydrophobicContact CD1-CD2 3.72Å; L811-W818 HydrophobicContact CD1-CE3 3.86Å; L811-W818 HydrophobicContact CD1-CG 4.41Å; L811-W818 HydrophobicContact CD1-CH2 3.89Å; L811-W818 HydrophobicContact CD1-CZ2 3.7Å; L811-W818 HydrophobicContact CD1-CZ3 3.96Å
812S50.4Low52.5Low1 Ų198.5 Ų98.51%0.00751%0.514CS..EExtended strand (participates in β ladder)trans-73.1110.1165.1-1760000108L810 S814 F817 I886L810-S812 PolarHBondContact O-N 3.18Å; S812-S814 PolarHBondContact O-N 3.21Å; S812-F817 PolarHBondContact N-O 3.5Å; S812-I886 PolarHBondContact OG-O 3.34Å; S812-I886 VanDerWaalsContact OG-O 3.1Å
813T50.3Low55.2Low128 Ų12895.1 Ų95.179%0.78549%0.488SS*.THydrogen-bonded Turntrans-68.30-167.242.70000115.1L811L811-T813 PolarHBondContact O-N 3.13Å
814S52.5Low58.1Low64 Ų6487.1 Ų87.145%0.44845%0.452SS..THydrogen-bonded Turntrans-103.1-26.3-17861.20000115.4S812S812-S814 PolarHBondContact O-N 3.21Å
815K55.9Low61Low109 Ų10982.7 Ų82.747%0.47442%0.415SS..THydrogen-bonded Turntrans-147.826.1-167.3-64.3-170.2177.2-178.20116.8F817K815-F817 VanDerWaalsContact C-N 3.26Å; K815-F817 HydrophobicContact CB-CD2 3.76Å; K815-F817 HydrophobicContact CB-CE2 3.41Å; K815-F817 VanDerWaalsContact CB-CE2 3.41Å; K815-F817 HydrophobicContact CB-CZ 4.23Å; K815-F817 HydrophobicContact CD-CE2 4.41Å; K815-F817 HydrophobicContact CG-CE2 4.49Å; K815-F817 WeakPolarHBondContact O-CD2 3.44Å; K815-F817 WeakPolarHBondContact O-CE2 3.21Å; K815-F817 PolarHBondContact O-N 3.3Å; K815-F817 VanDerWaalsContact O-N 3.15Å
816H62.3Low63.7Low178 Ų17881.6 Ų81.682%0.82440%0.4SS*.THydrogen-bonded Turntrans59.720.5175.1-55.6-58.3000116.9
817F67.1Low66.3Low59 Ų5973.1 Ų73.126%0.25936%0.36SS..EExtended strand (participates in β ladder)trans-94.4130.5174.1-49.7-59.7000111.2S812 K815 I889 T890 L892S812-F817 PolarHBondContact N-O 3.5Å; K815-F817 VanDerWaalsContact C-N 3.26Å; K815-F817 HydrophobicContact CB-CD2 3.76Å; K815-F817 HydrophobicContact CB-CE2 3.41Å; K815-F817 VanDerWaalsContact CB-CE2 3.41Å; K815-F817 HydrophobicContact CB-CZ 4.23Å; K815-F817 HydrophobicContact CD-CE2 4.41Å; K815-F817 HydrophobicContact CG-CE2 4.49Å; K815-F817 WeakPolarHBondContact O-CD2 3.44Å; K815-F817 WeakPolarHBondContact O-CE2 3.21Å; K815-F817 PolarHBondContact O-N 3.3Å; K815-F817 VanDerWaalsContact O-N 3.15Å; F817-I889 HydrophobicContact CD2-CG2 4.28Å; F817-T890 VanDerWaalsContact CE2-O 3.31Å; F817-T890 WeakPolarHBondContact CE2-O 3.46Å; F817-L892 HydrophobicContact CB-CD1 4.32Å; F817-L892 HydrophobicContact CB-CG 4.46Å
818W72.7Confident68.5Low143 Ų14368.9 Ų68.954%0.54234%0.335SS..EExtended strand (participates in β ladder)trans-84.2131.1165-64.997.7000109.2K809 L811K809-W818 HydrophobicContact CB-CD2 4.34Å; K809-W818 HydrophobicContact CB-CE3 3.51Å; K809-W818 HydrophobicContact CB-CZ3 3.91Å; K809-W818 HydrophobicContact CD-CE3 4.41Å; L811-W818 HydrophobicContact CB-CE3 4.15Å; L811-W818 HydrophobicContact CB-CZ3 4.01Å; L811-W818 HydrophobicContact CD1-CD2 3.72Å; L811-W818 HydrophobicContact CD1-CE3 3.86Å; L811-W818 HydrophobicContact CD1-CG 4.41Å; L811-W818 HydrophobicContact CD1-CH2 3.89Å; L811-W818 HydrophobicContact CD1-CZ2 3.7Å; L811-W818 HydrophobicContact CD1-CZ3 3.96Å
819V77.9Confident69.7Low1 Ų164.7 Ų64.71%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-126.3132.7-176.8-174.20000109L810 V825 V839 I842 I889L810-V819 PolarHBondContact N-O 2.94Å; L810-V819 PolarHBondContact O-N 2.85Å; V819-V825 HydrophobicContact CG1-CG1 4.05Å; V819-V839 HydrophobicContact CG1-CG2 4.29Å; V819-I842 HydrophobicContact CG1-CD1 4.5Å; V819-I889 HydrophobicContact CB-CD1 4.39Å; V819-I889 HydrophobicContact CG1-CD1 4.05Å; V819-I889 HydrophobicContact CG2-CD1 3.68Å
820K78.9Confident70.5Confident109 Ų10967.3 Ų67.347%0.47433%0.33SS..  trans-129.7170.617256.6164.6178.6179.70111.5D823K820-D823 WeakPolarHBondContact CE-OD1 3.49Å; K820-D823 WeakPolarHBondContact CG-OD2 3.21Å; K820-D823 PolarHBondContact N-OD2 2.83Å; K820-D823 WeakPolarHBondContact O-CB 3.4Å; K820-D823 PolarHBondContact O-N 3.09Å
821L81.1Confident70.9Confident53 Ų5373.6 Ų73.628%0.27736%0.358SS..THydrogen-bonded Turntrans-58.4139.5169-57.4175.5000109.9Y797 D823 V839 I842Y797-L821 WeakPolarHBondContact O-CD1 3.46Å; L821-D823 VanDerWaalsContact C-N 3.31Å; L821-D823 PolarHBondContact O-N 2.91Å; L821-V839 WeakPolarHBondContact CA-O 3.31Å; L821-V839 HydrophobicContact CD2-CG1 4.38Å; L821-I842 HydrophobicContact CD2-CB 4.42Å; L821-I842 HydrophobicContact CD2-CD1 4.07Å; L821-I842 HydrophobicContact CD2-CG1 3.84Å; L821-I842 HydrophobicContact CG-CD1 4.45Å
822G80.2Confident71.4Confident12 Ų1273.9 Ų73.912%0.12436%0.363CS..THydrogen-bonded Turntrans79.91.8-175.900000115.7V839G822-V839 PolarHBondContact N-O 3.37Å
823D87.5Confident71.8Confident25 Ų2582.2 Ų82.213%0.13440%0.399CS..  trans-81.9152.3167.4-69.4-22.5000110.8K820 L821 V839 L892K820-D823 WeakPolarHBondContact CE-OD1 3.49Å; K820-D823 WeakPolarHBondContact CG-OD2 3.21Å; K820-D823 PolarHBondContact N-OD2 2.83Å; K820-D823 WeakPolarHBondContact O-CB 3.4Å; K820-D823 PolarHBondContact O-N 3.09Å; L821-D823 VanDerWaalsContact C-N 3.31Å; L821-D823 PolarHBondContact O-N 2.91Å; D823-V839 PolarHBondContact O-N 2.78Å; D823-L892 HydrophobicContact CB-CD2 4.1Å
824C91.2Very high72.1Confident11 Ų1178 Ų787%0.07437%0.374CS..EExtended strand (participates in β ladder)trans-104.3136.4168.8-54.80000108.9I836 L837 C893 V895C824-I836 HydrophobicContact CB-CG2 4.43Å; C824-L837 CarbonylContact C-O 3.54Å; C824-L837 VanDerWaalsContact CA-O 3.27Å; C824-L837 WeakPolarHBondContact CA-O 3.22Å; C824-C893 VanDerWaalsContact C-SG 3.59Å; C824-C893 WeakPolarHBondContact CB-O 3.3Å; C824-C893 WeakPolarHBondContact CB-SG 3.32Å; C824-C893 PolarHBondContact O-N 2.76Å; C824-C893 VanDerWaalsContact O-O 3.11Å; C824-V895 HydrophobicContact CB-CG2 3.93Å
825V90.2Very high73.3Confident0 Ų077.2 Ų77.20%037%0.365CS..EExtended strand (participates in β ladder)trans-128.5143.8-175.2-62.90000111.1V819 L827 I836 L837 V839 I851 I889 G891 L892V819-V825 HydrophobicContact CG1-CG1 4.05Å; V825-L827 HydrophobicContact CG2-CD2 4.2Å; V825-I836 CarbonylContact O-C 3.58Å; V825-I836 WeakPolarHBondContact O-CA 3.41Å; V825-L837 HydrophobicContact CG2-CB 3.9Å; V825-L837 HydrophobicContact CG2-CD2 4.37Å; V825-L837 PolarHBondContact N-O 3.05Å; V825-L837 PolarHBondContact O-N 3.24Å; V825-V839 HydrophobicContact CG1-CG2 4.09Å; V825-V839 HydrophobicContact CG2-CG2 3.81Å; V825-I851 HydrophobicContact CG2-CD1 4.31Å; V825-I889 HydrophobicContact CB-CD1 4.18Å; V825-I889 HydrophobicContact CB-CG1 4.07Å; V825-I889 HydrophobicContact CB-CG2 4.07Å; V825-I889 HydrophobicContact CG1-CD1 3.88Å; V825-I889 HydrophobicContact CG1-CG1 4.31Å; V825-I889 HydrophobicContact CG1-CG2 4.18Å; V825-I889 HydrophobicContact CG2-CD1 4.17Å; V825-I889 HydrophobicContact CG2-CG1 4.02Å; V825-G891 CarbonylContact C-O 3.57Å; V825-G891 WeakPolarHBondContact CA-O 3.26Å; V825-L892 HydrophobicContact CG1-CD2 3.92Å
826Y89.1Confident75Confident83 Ų8372.3 Ų72.333%0.32534%0.344SS..EExtended strand (participates in β ladder)trans-79.7130.6164.4-70.5-67.7000109.4P834 I836 I889 T890 G891 C893Y826-P834 HydrophobicContact CD1-CB 4.08Å; Y826-P834 HydrophobicContact CD1-CG 4.05Å; Y826-P834 HydrophobicContact CE1-CG 4.33Å; Y826-I836 HydrophobicContact CD1-CD1 4.3Å; Y826-I836 HydrophobicContact CD1-CG1 3.62Å; Y826-I836 HydrophobicContact CE1-CD1 3.73Å; Y826-I836 HydrophobicContact CE1-CG1 3.57Å; Y826-I889 WeakPolarHBondContact O-CA 3.47Å; Y826-T890 WeakPolarHBondContact CB-OG1 3.31Å; Y826-T890 PolarHBondContact O-N 2.9Å; Y826-T890 PolarHBondContact O-OG1 2.73Å; Y826-G891 PolarHBondContact N-O 3.45Å; Y826-C893 HydrophobicContact CD2-CB 4.07Å; Y826-C893 HydrophobicContact CE2-CB 3.55Å
827L86.9Confident76.3Confident3 Ų363.9 Ų63.92%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-96.9143.3172.2-60176.2000110.2V825 N835 L837 I851 Y884 R888 I889V825-L827 HydrophobicContact CG2-CD2 4.2Å; L827-N835 PolarHBondContact N-O 3.19Å; L827-L837 HydrophobicContact CD1-CB 3.97Å; L827-L837 HydrophobicContact CD1-CD2 4.39Å; L827-L837 HydrophobicContact CG-CB 4.24Å; L827-I851 HydrophobicContact CD2-CD1 4.13Å; L827-Y884 HydrophobicContact CD1-CD1 3.86Å; L827-Y884 HydrophobicContact CD1-CD2 3.67Å; L827-Y884 HydrophobicContact CD1-CE1 3.79Å; L827-Y884 HydrophobicContact CD1-CE2 3.6Å; L827-Y884 HydrophobicContact CD1-CG 3.79Å; L827-Y884 HydrophobicContact CD2-CG 4.5Å; L827-R888 CarbonylContact C-O 3.54Å; L827-R888 WeakPolarHBondContact CA-O 3.47Å; L827-R888 HydrophobicContact CD2-CB 4.1Å; L827-I889 HydrophobicContact CD2-CG1 4.34Å
828A80.2Confident77.5Confident33 Ų3362.8 Ų62.827%0.27330%0.3SS..PPolyproline II helixtrans-56.9127.4172.400000110.1R830 R888 T890A828-R830 PolarHBondContact O-N 2.89Å; A828-R888 PolarHBondContact N-O 3.07Å; A828-T890 HydrophobicContact CB-CG2 3.69Å
829P65.9Low78.2Confident71 Ų7156 Ų5646%0.46127%0.274SS..PPolyproline II helixtrans-50.4137.5170.7-29.937.6000111.6V832P829-V832 VanDerWaalsContact CB-O 3.28Å; P829-V832 WeakPolarHBondContact CB-O 3.28Å
830R61.5Low78.7Confident202 Ų20256.6 Ų56.676%0.76228%0.277SS*.SBendtrans-83.9-56.3151.5-93.5-172.6170.1173.5-3.7109.1A828A828-R830 PolarHBondContact O-N 2.89Å
831E58.9Low79Confident187 Ų18756.2 Ų56.287%0.87427%0.273SS*.SBendtrans-135.9-10.4-175.3-73.6156.5-161.200113.7
832V57.9Low79.2Confident80 Ų8054.2 Ų54.249%0.48526%0.262SS..SBendtrans-134.3141.1-175.3-171.50000111.6P829 Q861P829-V832 VanDerWaalsContact CB-O 3.28Å; P829-V832 WeakPolarHBondContact CB-O 3.28Å; V832-Q861 HydrophobicContact CG1-CG 4.28Å
833K59.1Low79.4Confident175 Ų17556.3 Ų56.376%0.76127%0.266SS*.SBendtrans-58.1151.5179-83.8178.8178.1172.50112
834P56.8Low79.1Confident41 Ų4162.4 Ų62.427%0.26629%0.292SS..PPolyproline II helix-72.3130.5-118.626.5-36.7000114Y826 F858Y826-P834 HydrophobicContact CD1-CB 4.08Å; Y826-P834 HydrophobicContact CD1-CG 4.05Å; Y826-P834 HydrophobicContact CE1-CG 4.33Å; P834-F858 WeakPolarHBondContact O-CE2 3.09Å
835N78.7Confident78.5Confident46 Ų4663.5 Ų63.525%0.24630%0.302CS..PPolyproline II helixtrans-68137.3170.9-65.6-17.5000110.1L827 Q861L827-N835 PolarHBondContact N-O 3.19Å; N835-Q861 PolarHBondContact OD1-NE2 2.9Å
836I90.1Very high78Confident7 Ų771.5 Ų71.54%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-102.8140.2174.8-67.3164.8000108.6C824 V825 Y826 T855 F856 F858 I875 V895C824-I836 HydrophobicContact CB-CG2 4.43Å; V825-I836 CarbonylContact O-C 3.58Å; V825-I836 WeakPolarHBondContact O-CA 3.41Å; Y826-I836 HydrophobicContact CD1-CD1 4.3Å; Y826-I836 HydrophobicContact CD1-CG1 3.62Å; Y826-I836 HydrophobicContact CE1-CD1 3.73Å; Y826-I836 HydrophobicContact CE1-CG1 3.57Å; I836-T855 CarbonylContact O-C 3.54Å; I836-T855 WeakPolarHBondContact O-CA 3.1Å; I836-F856 HydrophobicContact CB-CB 4.16Å; I836-F856 HydrophobicContact CG2-CB 4.43Å; I836-F856 HydrophobicContact CG2-CD2 4.07Å; I836-F856 PolarHBondContact N-O 2.64Å; I836-F856 PolarHBondContact O-N 3.45Å; I836-F858 HydrophobicContact CD1-CZ 4.22Å; I836-I875 HydrophobicContact CD1-CD1 3.72Å; I836-I875 HydrophobicContact CD1-CG2 4.34Å; I836-I875 HydrophobicContact CG2-CD1 4.37Å; I836-V895 HydrophobicContact CG2-CG2 3.78Å
837L90.7Very high77.4Confident0 Ų071.9 Ų71.90%037%0.365CS..EExtended strand (participates in β ladder)trans-126.5127.2177.2-177.876.5000109.9C824 V825 L827 V839 I851 V854 Y884C824-L837 CarbonylContact C-O 3.54Å; C824-L837 VanDerWaalsContact CA-O 3.27Å; C824-L837 WeakPolarHBondContact CA-O 3.22Å; V825-L837 HydrophobicContact CG2-CB 3.9Å; V825-L837 HydrophobicContact CG2-CD2 4.37Å; V825-L837 PolarHBondContact N-O 3.05Å; V825-L837 PolarHBondContact O-N 3.24Å; L827-L837 HydrophobicContact CD1-CB 3.97Å; L827-L837 HydrophobicContact CD1-CD2 4.39Å; L827-L837 HydrophobicContact CG-CB 4.24Å; L837-V839 HydrophobicContact CD2-CG2 4.38Å; L837-I851 HydrophobicContact CD2-CD1 3.8Å; L837-I851 HydrophobicContact CD2-CG1 3.82Å; L837-V854 WeakPolarHBondContact CA-O 3.3Å; L837-Y884 HydrophobicContact CD1-CE2 4.21Å; L837-Y884 HydrophobicContact CD2-CD2 4.05Å; L837-Y884 HydrophobicContact CD2-CE2 4.49Å
838H91.7Very high77.1Confident36 Ų3675.6 Ų75.617%0.16738%0.382CS..EExtended strand (participates in β ladder)trans-84.9117.6162.2173.2-100.2000108.6E840 G853 V854 F856H838-E840 IonicContact ND1-OE1 3.54Å; H838-E840 PolarHBondContact O-N 3.24Å; H838-G853 WeakPolarHBondContact O-CA 3.17Å; H838-V854 HydrophobicContact CB-CB 4.45Å; H838-V854 PolarHBondContact N-O 2.77Å; H838-V854 PolarHBondContact O-N 3.4Å; H838-V854 VanDerWaalsContact O-N 3.14Å; H838-F856 HydrophobicContact CB-CE2 3.76Å; H838-F856 HydrophobicContact CB-CZ 4.49Å
839V88.8Confident77.2Confident0 Ų074.7 Ų74.70%037%0.373CS..EExtended strand (participates in β ladder)trans-80.4108.1-170.2-176.40000110.1V819 L821 G822 D823 V825 L837 I842 I851V819-V839 HydrophobicContact CG1-CG2 4.29Å; L821-V839 WeakPolarHBondContact CA-O 3.31Å; L821-V839 HydrophobicContact CD2-CG1 4.38Å; G822-V839 PolarHBondContact N-O 3.37Å; D823-V839 PolarHBondContact O-N 2.78Å; V825-V839 HydrophobicContact CG1-CG2 4.09Å; V825-V839 HydrophobicContact CG2-CG2 3.81Å; L837-V839 HydrophobicContact CD2-CG2 4.38Å; V839-I842 HydrophobicContact CG1-CD1 3.89Å; V839-I842 HydrophobicContact CG1-CG1 3.44Å; V839-I842 VanDerWaalsContact CG1-CG1 3.44Å; V839-I851 HydrophobicContact CG1-CB 4.36Å
840E87.3Confident78.3Confident15 Ų1574.6 Ų74.67%0.0736%0.364CS..EExtended strand (participates in β ladder)trans-104.1-19.4178.3-62.5-173165.100113.1L796 H838 S852 V854 R881L796-E840 HydrophobicContact CD1-CB 4.15Å; L796-E840 HydrophobicContact CD1-CG 3.8Å; L796-E840 WeakPolarHBondContact CD1-OE1 3.26Å; H838-E840 IonicContact ND1-OE1 3.54Å; H838-E840 PolarHBondContact O-N 3.24Å; E840-S852 PolarHBondContact N-O 3.34Å; E840-V854 WeakPolarHBondContact OE1-CG2 3.35Å; E840-R881 IonicContact OE1-NH2 2.94Å; E840-R881 IonicContact OE2-CZ 3.44Å; E840-R881 IonicContact OE2-NH1 3.58Å; E840-R881 PolarHBondContact OE2-NH1 2.91Å; E840-R881 IonicContact OE2-NH2 3.83Å; E840-R881 PolarHBondContact OE2-NH2 3.48Å
841R85.2Confident79.6Confident101 Ų10165 Ų6538%0.38133%0.327SS..EExtended strand (participates in β ladder)trans-139.2141.4174.3-61.5-177.8-171.7163.51.7109.2Y797 W843 I851 S852Y797-R841 HydrophobicContact CD2-CG 4.39Å; R841-W843 HydrophobicContact CB-CE3 3.94Å; R841-W843 HydrophobicContact CB-CZ3 3.78Å; R841-I851 CarbonylContact O-C 3.43Å; R841-I851 VanDerWaalsContact O-CA 3.27Å; R841-I851 WeakPolarHBondContact O-CA 3.43Å; R841-S852 PolarHBondContact N-O 3.39Å; R841-S852 PolarHBondContact O-N 2.9Å
842I86.2Confident81Confident10 Ų1056.2 Ų56.25%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-132.5138167.1-56.1169.1000105.5R798 L810 V819 L821 V839 T849 W850 I851R798-I842 PolarHBondContact NH1-O 3.19Å; R798-I842 PolarHBondContact NH2-O 2.8Å; L810-I842 HydrophobicContact CD1-CG2 3.86Å; V819-I842 HydrophobicContact CG1-CD1 4.5Å; L821-I842 HydrophobicContact CD2-CB 4.42Å; L821-I842 HydrophobicContact CD2-CD1 4.07Å; L821-I842 HydrophobicContact CD2-CG1 3.84Å; L821-I842 HydrophobicContact CG-CD1 4.45Å; V839-I842 HydrophobicContact CG1-CD1 3.89Å; V839-I842 HydrophobicContact CG1-CG1 3.44Å; V839-I842 VanDerWaalsContact CG1-CG1 3.44Å; I842-T849 HydrophobicContact CG2-CG2 3.62Å; I842-W850 CarbonylContact C-O 3.57Å; I842-W850 VanDerWaalsContact CA-O 3.23Å; I842-W850 WeakPolarHBondContact CA-O 3.39Å; I842-I851 HydrophobicContact CB-CG2 4.49Å; I842-I851 HydrophobicContact CG1-CG2 4.07Å; I842-I851 HydrophobicContact CG2-CG2 4.24Å
843W84.7Confident82.5Confident56 Ų5652.4 Ų52.421%0.21226%0.264CS..EExtended strand (participates in β ladder)trans-154.5168.6173.165.6103.2000111.3R841 T849 W850 E883R841-W843 HydrophobicContact CB-CE3 3.94Å; R841-W843 HydrophobicContact CB-CZ3 3.78Å; W843-T849 CarbonylContact O-C 3.5Å; W843-T849 VanDerWaalsContact O-CA 3.28Å; W843-T849 WeakPolarHBondContact O-CA 3.45Å; W843-T849 WeakPolarHBondContact O-CG2 3.35Å; W843-W850 HydrophobicContact CD2-CB 3.8Å; W843-W850 VanDerWaalsContact CE2-CB 3.42Å; W843-W850 HydrophobicContact CE3-CB 4.23Å; W843-W850 HydrophobicContact CG-CB 4.35Å; W843-W850 HydrophobicContact CH2-CB 3.97Å; W843-W850 HydrophobicContact CZ2-CB 3.52Å; W843-W850 HydrophobicContact CZ2-CG 4.25Å; W843-W850 HydrophobicContact CZ3-CB 4.29Å; W843-W850 PolarHBondContact N-O 3.28Å; W843-W850 PolarHBondContact O-N 2.94Å; W843-E883 HydrophobicContact CH2-CB 4.05Å; W843-E883 HydrophobicContact CH2-CG 3.85Å; W843-E883 HydrophobicContact CZ2-CB 4.32Å; W843-E883 VanDerWaalsContact CZ2-CD 3.47Å; W843-E883 HydrophobicContact CZ2-CG 4.18Å; W843-E883 WeakPolarHBondContact CZ2-OE2 3.41Å
844K81.2Confident83.9Confident153 Ų15345.6 Ų45.667%0.66524%0.237SC*.EExtended strand (participates in β ladder)trans-104.2136.2168.9-100.3-172.7166.9-172.70109.5A847 E848 T849K844-A847 WeakPolarHBondContact CE-O 3.06Å; K844-E848 WeakPolarHBondContact CA-O 3.4Å; K844-T849 WeakPolarHBondContact CG-OG1 3.48Å
845A77.9Confident85.5Confident35 Ų3544 Ų4429%0.28923%0.227SC..EExtended strand (participates in β ladder)trans-148.1132.7170.500000107.8A847 E848 W850A845-A847 PolarHBondContact O-N 2.85Å; A845-E848 PolarHBondContact N-O 3.42Å; A845-E848 PolarHBondContact O-N 3.49Å; A845-W850 PolarHBondContact O-NE1 2.86Å
846N79.2Confident86Confident168 Ų16843.2 Ų43.290%0.89822%0.221SC*.THydrogen-bonded Turntrans52.448.9-178.9-55.2-16.7000113.2E848N846-E848 PolarHBondContact O-N 3.21Å
847A76.3Confident85.8Confident91 Ų9143.8 Ų43.875%0.75223%0.225SC*.THydrogen-bonded Turntrans62.3-24.5-17400000117K844 A845K844-A847 WeakPolarHBondContact CE-O 3.06Å; A845-A847 PolarHBondContact O-N 2.85Å
848E80.7Confident85.5Confident81 Ų8146.3 Ų46.338%0.37924%0.236SC..EExtended strand (participates in β ladder)trans-77.4148.3174.8-166164.7-152.500111.8K844 A845 N846 P885 S887K844-E848 WeakPolarHBondContact CA-O 3.4Å; A845-E848 PolarHBondContact N-O 3.42Å; A845-E848 PolarHBondContact O-N 3.49Å; N846-E848 PolarHBondContact O-N 3.21Å; E848-P885 VanDerWaalsContact CD-CB 3.42Å; E848-P885 HydrophobicContact CG-CB 4.02Å; E848-P885 WeakPolarHBondContact OE1-CB 3.47Å; E848-S887 PolarHBondContact OE1-OG 3.38Å
849T83.2Confident85.1Confident13 Ų1345.5 Ų45.58%0.0823%0.234CC..EExtended strand (participates in β ladder)trans-95.7127.5173.2-55.60000109.7L810 I842 W843 K844 P885 I886L810-T849 HydrophobicContact CD1-CG2 4.3Å; L810-T849 HydrophobicContact CD2-CG2 3.9Å; I842-T849 HydrophobicContact CG2-CG2 3.62Å; W843-T849 CarbonylContact O-C 3.5Å; W843-T849 VanDerWaalsContact O-CA 3.28Å; W843-T849 WeakPolarHBondContact O-CA 3.45Å; W843-T849 WeakPolarHBondContact O-CG2 3.35Å; K844-T849 WeakPolarHBondContact CG-OG1 3.48Å; T849-P885 CarbonylContact O-C 3.52Å; T849-P885 WeakPolarHBondContact O-CA 3.41Å; T849-I886 HydrophobicContact CG2-CB 4.27Å; T849-I886 HydrophobicContact CG2-CD1 4.17Å; T849-I886 HydrophobicContact CG2-CG2 4.31Å; T849-I886 WeakPolarHBondContact O-CB 3.21Å; T849-I886 PolarHBondContact O-N 2.7Å
850W87.5Confident84.6Confident69 Ų6951 Ų5126%0.26127%0.271SS..EExtended strand (participates in β ladder)trans-106.3153-179.6-65.380.3000111.4I842 W843 A845 E883 Y884I842-W850 CarbonylContact C-O 3.57Å; I842-W850 VanDerWaalsContact CA-O 3.23Å; I842-W850 WeakPolarHBondContact CA-O 3.39Å; W843-W850 HydrophobicContact CD2-CB 3.8Å; W843-W850 VanDerWaalsContact CE2-CB 3.42Å; W843-W850 HydrophobicContact CE3-CB 4.23Å; W843-W850 HydrophobicContact CG-CB 4.35Å; W843-W850 HydrophobicContact CH2-CB 3.97Å; W843-W850 HydrophobicContact CZ2-CB 3.52Å; W843-W850 HydrophobicContact CZ2-CG 4.25Å; W843-W850 HydrophobicContact CZ3-CB 4.29Å; W843-W850 PolarHBondContact N-O 3.28Å; W843-W850 PolarHBondContact O-N 2.94Å; A845-W850 PolarHBondContact O-NE1 2.86Å; W850-E883 HydrophobicContact CE3-CB 4.19Å; W850-Y884 CarbonylContact C-O 3.51Å; W850-Y884 WeakPolarHBondContact CA-O 3.45Å
851I89Confident84.3Confident0 Ų053.2 Ų53.20%028%0.281CS..EExtended strand (participates in β ladder)trans-134.7147.1176.868.7-177.8000110.2V825 L827 L837 V839 R841 I842 E883 Y884 I886 I889V825-I851 HydrophobicContact CG2-CD1 4.31Å; L827-I851 HydrophobicContact CD2-CD1 4.13Å; L837-I851 HydrophobicContact CD2-CD1 3.8Å; L837-I851 HydrophobicContact CD2-CG1 3.82Å; V839-I851 HydrophobicContact CG1-CB 4.36Å; R841-I851 CarbonylContact O-C 3.43Å; R841-I851 VanDerWaalsContact O-CA 3.27Å; R841-I851 WeakPolarHBondContact O-CA 3.43Å; I842-I851 HydrophobicContact CB-CG2 4.49Å; I842-I851 HydrophobicContact CG1-CG2 4.07Å; I842-I851 HydrophobicContact CG2-CG2 4.24Å; I851-E883 WeakPolarHBondContact O-CA 3.45Å; I851-Y884 WeakPolarHBondContact CG1-O 3.25Å; I851-Y884 PolarHBondContact N-O 2.98Å; I851-Y884 PolarHBondContact O-N 3.46Å; I851-I886 HydrophobicContact CG2-CB 4.23Å; I851-I886 HydrophobicContact CG2-CG1 4.12Å; I851-I889 HydrophobicContact CD1-CD1 3.71Å; I851-I889 HydrophobicContact CD1-CG1 3.82Å
852S89.2Confident84Confident3 Ų351 Ų512%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-151.5161175.3-179.70000110.6E840 R841 K882E840-S852 PolarHBondContact N-O 3.34Å; R841-S852 PolarHBondContact N-O 3.39Å; R841-S852 PolarHBondContact O-N 2.9Å; S852-K882 PolarHBondContact OG-O 3.43Å
853G88.3Confident83.6Confident0 Ų060 Ų600%032%0.318CS..EExtended strand (participates in β ladder)trans159.5-152.1-179.300000112.4H838H838-G853 WeakPolarHBondContact O-CA 3.17Å
854V89.7Confident83.1Confident32 Ų3260.7 Ų60.719%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-84116.9-176.7175.10000110.1L837 H838 E840 F856 A877L837-V854 WeakPolarHBondContact CA-O 3.3Å; H838-V854 HydrophobicContact CB-CB 4.45Å; H838-V854 PolarHBondContact N-O 2.77Å; H838-V854 PolarHBondContact O-N 3.4Å; H838-V854 VanDerWaalsContact O-N 3.14Å; E840-V854 WeakPolarHBondContact OE1-CG2 3.35Å; V854-F856 HydrophobicContact CB-CE2 4.4Å; V854-F856 HydrophobicContact CG1-CD2 4.44Å; V854-F856 HydrophobicContact CG1-CE2 3.95Å; V854-F856 HydrophobicContact CG1-CZ 4.03Å; V854-A877 HydrophobicContact CG1-CB 3.68Å
855T89.2Confident82.1Confident9 Ų960 Ų606%0.05532%0.323CS..EExtended strand (participates in β ladder)trans-82.3139.5173.7-52.40000109.3I836 V878 N880I836-T855 CarbonylContact O-C 3.54Å; I836-T855 WeakPolarHBondContact O-CA 3.1Å; T855-V878 PolarHBondContact O-N 3.42Å; T855-N880 PolarHBondContact OG1-O 3Å
856F90Very high81Confident29 Ų2964.7 Ų64.713%0.12735%0.35CS..EExtended strand (participates in β ladder)trans-115145172.7-61.6-100.4000111.4I836 H838 V854 I875 F876 A877 V895I836-F856 HydrophobicContact CB-CB 4.16Å; I836-F856 HydrophobicContact CG2-CB 4.43Å; I836-F856 HydrophobicContact CG2-CD2 4.07Å; I836-F856 PolarHBondContact N-O 2.64Å; I836-F856 PolarHBondContact O-N 3.45Å; H838-F856 HydrophobicContact CB-CE2 3.76Å; H838-F856 HydrophobicContact CB-CZ 4.49Å; V854-F856 HydrophobicContact CB-CE2 4.4Å; V854-F856 HydrophobicContact CG1-CD2 4.44Å; V854-F856 HydrophobicContact CG1-CE2 3.95Å; V854-F856 HydrophobicContact CG1-CZ 4.03Å; F856-I875 HydrophobicContact CB-CB 4.12Å; F856-I875 HydrophobicContact CB-CD1 3.69Å; F856-I875 HydrophobicContact CB-CG1 4.06Å; F856-I875 HydrophobicContact CD1-CD1 3.85Å; F856-I875 HydrophobicContact CD1-CG1 3.84Å; F856-I875 HydrophobicContact CG-CD1 3.8Å; F856-I875 HydrophobicContact CG-CG1 4.21Å; F856-F876 CarbonylContact C-O 3.57Å; F856-F876 WeakPolarHBondContact CA-O 3.41Å; F856-A877 HydrophobicContact CD1-CB 4.01Å; F856-A877 HydrophobicContact CE1-CB 3.77Å; F856-A877 HydrophobicContact CZ-CB 4.39Å; F856-V895 HydrophobicContact CD1-CG1 4.32Å; F856-V895 HydrophobicContact CD2-CG2 4.4Å; F856-V895 HydrophobicContact CE1-CG1 3.81Å; F856-V895 HydrophobicContact CE2-CG2 4.29Å; F856-V895 HydrophobicContact CZ-CB 4.44Å; F856-V895 HydrophobicContact CZ-CG1 3.95Å; F856-V895 HydrophobicContact CZ-CG2 4.48Å
857V86.3Confident79.7Confident19 Ų1962 Ų6212%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-124.1150.9178.2-60.50000111.2Q861 I862 I875 F876 V878V857-Q861 HydrophobicContact CB-CB 3.96Å; V857-I862 HydrophobicContact CG2-CG2 3.55Å; V857-I875 CarbonylContact O-C 3.53Å; V857-I875 VanDerWaalsContact O-CA 3.25Å; V857-I875 WeakPolarHBondContact O-CA 3.09Å; V857-I875 WeakPolarHBondContact O-CB 3.43Å; V857-F876 HydrophobicContact CG2-CB 4.23Å; V857-F876 PolarHBondContact N-O 3.47Å; V857-F876 PolarHBondContact O-N 3.13Å; V857-V878 HydrophobicContact CB-CG2 4.1Å; V857-V878 HydrophobicContact CG1-CG2 3.61Å; V857-V878 HydrophobicContact CG2-CG2 3.4Å; V857-V878 VanDerWaalsContact CG2-CG2 3.4Å
858F85Confident78.9Confident52 Ų5263.2 Ų63.223%0.22833%0.325CS..  trans-76.9159.9174.6-72.2-80.5000111.9P834 I836 C860 Q861 I875P834-F858 WeakPolarHBondContact O-CE2 3.09Å; I836-F858 HydrophobicContact CD1-CZ 4.22Å; F858-C860 PolarHBondContact O-N 3.1Å; F858-Q861 WeakPolarHBondContact O-CB 3.5Å; F858-Q861 PolarHBondContact O-N 2.96Å; F858-I875 HydrophobicContact CD1-CG2 3.6Å; F858-I875 HydrophobicContact CE1-CG2 3.54Å; F858-I875 HydrophobicContact CG-CG2 4.17Å; F858-I875 HydrophobicContact CZ-CG2 4.07Å
859P81.7Confident77.7Confident20 Ų2066 Ų6613%0.1334%0.342CS..G310 helixtrans-46-45.1173.7-29.129.8000113.9Q861 I862 H864 F870 E874 F876P859-Q861 PolarHBondContact O-N 3.15Å; P859-I862 VanDerWaalsContact O-CG1 3.24Å; P859-I862 WeakPolarHBondContact O-CG1 3.41Å; P859-I862 PolarHBondContact O-N 3.24Å; P859-I862 VanDerWaalsContact O-N 3.1Å; P859-I862 VanDerWaalsContact O-O 3.11Å; P859-H864 PolarHBondContact O-CD2 3.33Å; P859-H864 VanDerWaalsContact O-CD2 3.26Å; P859-F870 HydrophobicContact CB-CB 4.45Å; P859-F870 HydrophobicContact CB-CD1 3.81Å; P859-F870 HydrophobicContact CB-CD2 3.69Å; P859-F870 HydrophobicContact CB-CE1 3.83Å; P859-F870 HydrophobicContact CB-CE2 3.73Å; P859-F870 HydrophobicContact CB-CG 3.71Å; P859-F870 HydrophobicContact CB-CZ 3.79Å; P859-F870 HydrophobicContact CG-CB 3.82Å; P859-F870 HydrophobicContact CG-CD1 3.6Å; P859-F870 HydrophobicContact CG-CD2 4.02Å; P859-F870 HydrophobicContact CG-CE1 4.09Å; P859-F870 HydrophobicContact CG-CE2 4.48Å; P859-F870 HydrophobicContact CG-CG 3.53Å; P859-E874 WeakPolarHBondContact CD-O 3.49Å; P859-F876 HydrophobicContact CB-CE2 4.44Å; P859-F876 HydrophobicContact CG-CE2 4.05Å
860C78.9Confident77.1Confident115 Ų11567.9 Ų67.978%0.77735%0.349SS*.G310 helixtrans-68.61.3179.760.40000115.6F858F858-C860 PolarHBondContact O-N 3.1Å
861Q80.1Confident76.2Confident61 Ų6170 Ų7029%0.28536%0.358SS..G310 helixtrans-110.60.4175.8-61.2176.5-85.800112.5V832 N835 V857 F858 P859V832-Q861 HydrophobicContact CG1-CG 4.28Å; N835-Q861 PolarHBondContact OD1-NE2 2.9Å; V857-Q861 HydrophobicContact CB-CB 3.96Å; F858-Q861 WeakPolarHBondContact O-CB 3.5Å; F858-Q861 PolarHBondContact O-N 2.96Å; P859-Q861 PolarHBondContact O-N 3.15Å
862I79.2Confident75.4Confident54 Ų5479.3 Ų79.328%0.27740%0.398SS..SBendtrans-122.1149.7174.157.4166000109.9V857 P859 H864 F876V857-I862 HydrophobicContact CG2-CG2 3.55Å; P859-I862 VanDerWaalsContact O-CG1 3.24Å; P859-I862 WeakPolarHBondContact O-CG1 3.41Å; P859-I862 PolarHBondContact O-N 3.24Å; P859-I862 VanDerWaalsContact O-N 3.1Å; P859-I862 VanDerWaalsContact O-O 3.11Å; I862-H864 PolarHBondContact O-CD2 3.3Å; I862-H864 VanDerWaalsContact O-CD2 3.31Å; I862-F876 HydrophobicContact CD1-CB 4.45Å; I862-F876 HydrophobicContact CD1-CD1 4.4Å; I862-F876 HydrophobicContact CD1-CD2 3.38Å; I862-F876 HydrophobicContact CD1-CE2 3.68Å; I862-F876 HydrophobicContact CD1-CG 3.79Å; I862-F876 HydrophobicContact CD1-CZ 4.32Å; I862-F876 HydrophobicContact CG1-CD2 4.25Å
863E79.1Confident75Confident200 Ų20084 Ų8494%0.93542%0.423SS*.  trans-72.1131.3171.5-166.1167.8-160.800109.6
864H73.5Confident75Confident71 Ų7186.1 Ų86.133%0.32943%0.433SS..  trans-152.9156.2-177.964.574.8000111.2P859 I862 F870P859-H864 PolarHBondContact O-CD2 3.33Å; P859-H864 VanDerWaalsContact O-CD2 3.26Å; I862-H864 PolarHBondContact O-CD2 3.3Å; I862-H864 VanDerWaalsContact O-CD2 3.31Å; H864-F870 HydrophobicContact CB-CZ 3.95Å; H864-F870 AromaticContact CD2-CE2 3.88Å; H864-F870 AromaticContact CD2-CZ 3.6Å; H864-F870 AromaticContact CE1-CE2 3.61Å; H864-F870 AromaticContact CG-CE2 3.91Å; H864-F870 AromaticContact CG-CZ 3.55Å; H864-F870 AromaticContact ND1-CE2 3.73Å; H864-F870 AromaticContact ND1-CZ 3.83Å; H864-F870 AromaticContact NE2-CE2 3.66Å; H864-F870 AromaticContact NE2-CZ 3.9Å
865E60.1Low74.9Confident138 Ų13886 Ų8665%0.64543%0.431SS*.  trans-57.6140.6173.9-63.7-175.8170.700111.2T867 R868E865-T867 PolarHBondContact O-N 3.48Å; E865-T867 VanDerWaalsContact O-N 3.11Å; E865-R868 WeakPolarHBondContact O-CB 3.44Å; E865-R868 PolarHBondContact O-N 3.09Å
866P55.2Low74.8Confident134 Ų13487.7 Ų87.787%0.8744%0.438SS*.THydrogen-bonded Turntrans-60.1-22.2178.7-25.634.8000114.3
867T50.6Low74.7Confident111 Ų11189.3 Ų89.368%0.68146%0.457SS*.THydrogen-bonded Turntrans-85-10.7179.1440000113.7E865 L869E865-T867 PolarHBondContact O-N 3.48Å; E865-T867 VanDerWaalsContact O-N 3.11Å; T867-L869 PolarHBondContact O-N 2.93Å
868R60.1Low74.6Confident116 Ų11691 Ų9144%0.43847%0.467SS..  trans-70.8114.9-176.6-172.5170.5176.5176.8-0.1110.6E865 F870E865-R868 WeakPolarHBondContact O-CB 3.44Å; E865-R868 PolarHBondContact O-N 3.09Å; R868-F870 HydrophobicContact CB-CE2 4.07Å; R868-F870 HydrophobicContact CB-CZ 3.98Å; R868-F870 VanDerWaalsContact CD-CZ 3.5Å; R868-F870 HydrophobicContact CG-CD1 4.49Å; R868-F870 HydrophobicContact CG-CE1 3.85Å; R868-F870 HydrophobicContact CG-CE2 3.98Å; R868-F870 HydrophobicContact CG-CZ 3.56Å; R868-F870 VanDerWaalsContact O-CD2 3.27Å; R868-F870 WeakPolarHBondContact O-CD2 3.49Å; R868-F870 WeakPolarHBondContact O-CE2 3.28Å
869L55.9Low73.9Confident141 Ų14198.3 Ų98.374%0.73850%0.502SS*.  trans-82.3143.8171.6-61.6178.9000110.6T867 L978T867-L869 PolarHBondContact O-N 2.93Å; L869-L978 HydrophobicContact CD1-CD2 4.25Å
870F70Confident73.3Confident52 Ų52100.9 Ų100.923%0.22852%0.515CS..  trans-127.1152.1179.5-57.8-84.9000110.7P859 H864 R868 E874 F876P859-F870 HydrophobicContact CB-CB 4.45Å; P859-F870 HydrophobicContact CB-CD1 3.81Å; P859-F870 HydrophobicContact CB-CD2 3.69Å; P859-F870 HydrophobicContact CB-CE1 3.83Å; P859-F870 HydrophobicContact CB-CE2 3.73Å; P859-F870 HydrophobicContact CB-CG 3.71Å; P859-F870 HydrophobicContact CB-CZ 3.79Å; P859-F870 HydrophobicContact CG-CB 3.82Å; P859-F870 HydrophobicContact CG-CD1 3.6Å; P859-F870 HydrophobicContact CG-CD2 4.02Å; P859-F870 HydrophobicContact CG-CE1 4.09Å; P859-F870 HydrophobicContact CG-CE2 4.48Å; P859-F870 HydrophobicContact CG-CG 3.53Å; H864-F870 HydrophobicContact CB-CZ 3.95Å; H864-F870 AromaticContact CD2-CE2 3.88Å; H864-F870 AromaticContact CD2-CZ 3.6Å; H864-F870 AromaticContact CE1-CE2 3.61Å; H864-F870 AromaticContact CG-CE2 3.91Å; H864-F870 AromaticContact CG-CZ 3.55Å; H864-F870 AromaticContact ND1-CE2 3.73Å; H864-F870 AromaticContact ND1-CZ 3.83Å; H864-F870 AromaticContact NE2-CE2 3.66Å; H864-F870 AromaticContact NE2-CZ 3.9Å; R868-F870 HydrophobicContact CB-CE2 4.07Å; R868-F870 HydrophobicContact CB-CZ 3.98Å; R868-F870 VanDerWaalsContact CD-CZ 3.5Å; R868-F870 HydrophobicContact CG-CD1 4.49Å; R868-F870 HydrophobicContact CG-CE1 3.85Å; R868-F870 HydrophobicContact CG-CE2 3.98Å; R868-F870 HydrophobicContact CG-CZ 3.56Å; R868-F870 VanDerWaalsContact O-CD2 3.27Å; R868-F870 WeakPolarHBondContact O-CD2 3.49Å; R868-F870 WeakPolarHBondContact O-CE2 3.28Å; F870-E874 WeakPolarHBondContact CA-OE2 3.27Å; F870-E874 HydrophobicContact CB-CB 4.26Å; F870-E874 WeakPolarHBondContact CB-OE2 3.34Å; F870-F876 AromaticContact CD1-CE2 3.75Å; F870-F876 HydrophobicContact CD1-CE2 3.75Å; F870-F876 AromaticContact CD1-CZ 3.67Å; F870-F876 HydrophobicContact CD1-CZ 3.67Å; F870-F876 AromaticContact CE1-CE2 3.57Å; F870-F876 HydrophobicContact CE1-CE2 3.57Å; F870-F876 AromaticContact CE1-CZ 3.54Å; F870-F876 HydrophobicContact CE1-CZ 3.54Å
871Y69.9Low73.2Confident114 Ų114101.5 Ų101.545%0.44750%0.501SS..  trans-63.9147.2164.7-62.1-92.2000109.6N873 E874 V898 Y901Y871-N873 PolarHBondContact O-N 3.26Å; Y871-E874 WeakPolarHBondContact CD2-OE2 3.41Å; Y871-E874 PolarHBondContact N-OE2 2.7Å; Y871-E874 VanDerWaalsContact O-CB 3.29Å; Y871-E874 WeakPolarHBondContact O-CB 3.47Å; Y871-E874 PolarHBondContact O-N 3.33Å; Y871-V898 HydrophobicContact CE2-CG1 3.94Å; Y871-Y901 HydrophobicContact CD1-CE1 4.42Å
872K71.6Confident73.3Confident195 Ų195103.8 Ų103.885%0.84851%0.51SS*.THydrogen-bonded Turntrans-50.8-33.2-174.5-175.3178.8175.1175.40114.7
873N81.4Confident73.7Confident102 Ų102106.5 Ų106.555%0.54552%0.521SS..THydrogen-bonded Turntrans-122.231.4177.3-6216.4000110.8Y871Y871-N873 PolarHBondContact O-N 3.26Å
874E86.9Confident74.1Confident43 Ų4398.2 Ų98.220%0.20148%0.481CS..  trans-65.3142.9170.7-163.6155.7-159.700109.8P859 F870 Y871 F876P859-E874 WeakPolarHBondContact CD-O 3.49Å; F870-E874 WeakPolarHBondContact CA-OE2 3.27Å; F870-E874 HydrophobicContact CB-CB 4.26Å; F870-E874 WeakPolarHBondContact CB-OE2 3.34Å; Y871-E874 WeakPolarHBondContact CD2-OE2 3.41Å; Y871-E874 PolarHBondContact N-OE2 2.7Å; Y871-E874 VanDerWaalsContact O-CB 3.29Å; Y871-E874 WeakPolarHBondContact O-CB 3.47Å; Y871-E874 PolarHBondContact O-N 3.33Å; E874-F876 HydrophobicContact CG-CE2 4.32Å; E874-F876 HydrophobicContact CG-CZ 4.04Å
875I88.2Confident74.8Confident31 Ų3195.7 Ų95.716%0.15947%0.471CS..  trans-146.2147.917860.4-179.8000108.6I836 F856 V857 F858 V895I836-I875 HydrophobicContact CD1-CD1 3.72Å; I836-I875 HydrophobicContact CD1-CG2 4.34Å; I836-I875 HydrophobicContact CG2-CD1 4.37Å; F856-I875 HydrophobicContact CB-CB 4.12Å; F856-I875 HydrophobicContact CB-CD1 3.69Å; F856-I875 HydrophobicContact CB-CG1 4.06Å; F856-I875 HydrophobicContact CD1-CD1 3.85Å; F856-I875 HydrophobicContact CD1-CG1 3.84Å; F856-I875 HydrophobicContact CG-CD1 3.8Å; F856-I875 HydrophobicContact CG-CG1 4.21Å; V857-I875 CarbonylContact O-C 3.53Å; V857-I875 VanDerWaalsContact O-CA 3.25Å; V857-I875 WeakPolarHBondContact O-CA 3.09Å; V857-I875 WeakPolarHBondContact O-CB 3.43Å; F858-I875 HydrophobicContact CD1-CG2 3.6Å; F858-I875 HydrophobicContact CE1-CG2 3.54Å; F858-I875 HydrophobicContact CG-CG2 4.17Å; F858-I875 HydrophobicContact CZ-CG2 4.07Å; I875-V895 HydrophobicContact CD1-CB 4.38Å; I875-V895 HydrophobicContact CD1-CG1 3.89Å; I875-V895 HydrophobicContact CD1-CG2 3.61Å; I875-V895 HydrophobicContact CG1-CG1 4.32Å
876F87.7Confident76.1Confident43 Ų4389.5 Ų89.519%0.18944%0.442CS..EExtended strand (participates in β ladder)trans-109129.5-176.8-63.6-79.8000109.6F856 V857 P859 I862 F870 E874F856-F876 CarbonylContact C-O 3.57Å; F856-F876 WeakPolarHBondContact CA-O 3.41Å; V857-F876 HydrophobicContact CG2-CB 4.23Å; V857-F876 PolarHBondContact N-O 3.47Å; V857-F876 PolarHBondContact O-N 3.13Å; P859-F876 HydrophobicContact CB-CE2 4.44Å; P859-F876 HydrophobicContact CG-CE2 4.05Å; I862-F876 HydrophobicContact CD1-CB 4.45Å; I862-F876 HydrophobicContact CD1-CD1 4.4Å; I862-F876 HydrophobicContact CD1-CD2 3.38Å; I862-F876 HydrophobicContact CD1-CE2 3.68Å; I862-F876 HydrophobicContact CD1-CG 3.79Å; I862-F876 HydrophobicContact CD1-CZ 4.32Å; I862-F876 HydrophobicContact CG1-CD2 4.25Å; F870-F876 AromaticContact CD1-CE2 3.75Å; F870-F876 HydrophobicContact CD1-CE2 3.75Å; F870-F876 AromaticContact CD1-CZ 3.67Å; F870-F876 HydrophobicContact CD1-CZ 3.67Å; F870-F876 AromaticContact CE1-CE2 3.57Å; F870-F876 HydrophobicContact CE1-CE2 3.57Å; F870-F876 AromaticContact CE1-CZ 3.54Å; F870-F876 HydrophobicContact CE1-CZ 3.54Å; E874-F876 HydrophobicContact CG-CE2 4.32Å; E874-F876 HydrophobicContact CG-CZ 4.04Å
877A88Confident77.4Confident64 Ų6486 Ų8653%0.52942%0.421SS..EExtended strand (participates in β ladder)trans-66.6132.1169.700000109V854 F856V854-A877 HydrophobicContact CG1-CB 3.68Å; F856-A877 HydrophobicContact CD1-CB 4.01Å; F856-A877 HydrophobicContact CE1-CB 3.77Å; F856-A877 HydrophobicContact CZ-CB 4.39Å
878V83.8Confident79.2Confident54 Ų5483.7 Ų83.733%0.32740%0.4SS..EExtended strand (participates in β ladder)trans-111.9134.4176-1740000108.6T855 V857 N880T855-V878 PolarHBondContact O-N 3.42Å; V857-V878 HydrophobicContact CB-CG2 4.1Å; V857-V878 HydrophobicContact CG1-CG2 3.61Å; V857-V878 HydrophobicContact CG2-CG2 3.4Å; V857-V878 VanDerWaalsContact CG2-CG2 3.4Å; V878-N880 HydrophobicContact CG1-CB 4.08Å; V878-N880 PolarHBondContact O-N 3.03Å
879E71.2Confident80.5Confident205 Ų20578.2 Ų78.296%0.95838%0.379SS*.SBendtrans-76.958.2179.6-160.6157.7-131.300111.5
880N69.2Low81.9Confident75 Ų7574 Ų7440%0.40136%0.359SS..  trans-135.891.9-179.7-160.3-27.1000109.8T855 V878 K882T855-N880 PolarHBondContact OG1-O 3Å; V878-N880 HydrophobicContact CG1-CB 4.08Å; V878-N880 PolarHBondContact O-N 3.03Å; N880-K882 VanDerWaalsContact C-N 3.33Å; N880-K882 PolarHBondContact O-N 3.2Å; N880-K882 WeakPolarHBondContact OD1-CE 3.48Å; N880-K882 WeakPolarHBondContact OD1-CG 3.47Å
881R76Confident82.6Confident128 Ų12872 Ų7248%0.48335%0.353SS..  trans-78.276.4-178.4-69.8173.5168.8-78.5-9110.6E840E840-R881 IonicContact OE1-NH2 2.94Å; E840-R881 IonicContact OE2-CZ 3.44Å; E840-R881 IonicContact OE2-NH1 3.58Å; E840-R881 PolarHBondContact OE2-NH1 2.91Å; E840-R881 IonicContact OE2-NH2 3.83Å; E840-R881 PolarHBondContact OE2-NH2 3.48Å
882K82.4Confident83.3Confident109 Ų10970.2 Ų70.247%0.47435%0.351SS..  trans-84.2147.6174.4-72.1-177.5178176.50112.1S852 N880 Y884S852-K882 PolarHBondContact OG-O 3.43Å; N880-K882 VanDerWaalsContact C-N 3.33Å; N880-K882 PolarHBondContact O-N 3.2Å; N880-K882 WeakPolarHBondContact OD1-CE 3.48Å; N880-K882 WeakPolarHBondContact OD1-CG 3.47Å; K882-Y884 HydrophobicContact CB-CE1 4.49Å; K882-Y884 HydrophobicContact CB-CE2 3.69Å; K882-Y884 WeakPolarHBondContact O-CD2 3.43Å; K882-Y884 WeakPolarHBondContact O-CE2 3.36Å
883E87.8Confident84.1Confident110 Ų11062.3 Ų62.351%0.51432%0.32SS..EExtended strand (participates in β ladder)trans-95.4137.1175.2-47.3-167.515100109.8W843 W850 I851W843-E883 HydrophobicContact CH2-CB 4.05Å; W843-E883 HydrophobicContact CH2-CG 3.85Å; W843-E883 HydrophobicContact CZ2-CB 4.32Å; W843-E883 VanDerWaalsContact CZ2-CD 3.47Å; W843-E883 HydrophobicContact CZ2-CG 4.18Å; W843-E883 WeakPolarHBondContact CZ2-OE2 3.41Å; W850-E883 HydrophobicContact CE3-CB 4.19Å; I851-E883 WeakPolarHBondContact O-CA 3.45Å
884Y87.9Confident84.3Confident27 Ų2761.8 Ų61.811%0.10632%0.324CS..EExtended strand (participates in β ladder)trans-133.6145.4179.4-55.8-87.6000108.9L827 L837 W850 I851 K882L827-Y884 HydrophobicContact CD1-CD1 3.86Å; L827-Y884 HydrophobicContact CD1-CD2 3.67Å; L827-Y884 HydrophobicContact CD1-CE1 3.79Å; L827-Y884 HydrophobicContact CD1-CE2 3.6Å; L827-Y884 HydrophobicContact CD1-CG 3.79Å; L827-Y884 HydrophobicContact CD2-CG 4.5Å; L837-Y884 HydrophobicContact CD1-CE2 4.21Å; L837-Y884 HydrophobicContact CD2-CD2 4.05Å; L837-Y884 HydrophobicContact CD2-CE2 4.49Å; W850-Y884 CarbonylContact C-O 3.51Å; W850-Y884 WeakPolarHBondContact CA-O 3.45Å; I851-Y884 WeakPolarHBondContact CG1-O 3.25Å; I851-Y884 PolarHBondContact N-O 2.98Å; I851-Y884 PolarHBondContact O-N 3.46Å; K882-Y884 HydrophobicContact CB-CE1 4.49Å; K882-Y884 HydrophobicContact CB-CE2 3.69Å; K882-Y884 WeakPolarHBondContact O-CD2 3.43Å; K882-Y884 WeakPolarHBondContact O-CE2 3.36Å
885P87.6Confident84.3Confident18 Ų1861.8 Ų61.812%0.11733%0.327CS..EExtended strand (participates in β ladder)trans-71.9146.9167.329.7-33.6000110.5E848 T849 S887 R888E848-P885 VanDerWaalsContact CD-CB 3.42Å; E848-P885 HydrophobicContact CG-CB 4.02Å; E848-P885 WeakPolarHBondContact OE1-CB 3.47Å; T849-P885 CarbonylContact O-C 3.52Å; T849-P885 WeakPolarHBondContact O-CA 3.41Å; P885-S887 WeakPolarHBondContact CB-OG 3.42Å; P885-S887 PolarHBondContact O-N 3.4Å; P885-S887 VanDerWaalsContact O-N 3.07Å; P885-R888 HydrophobicContact CG-CG 3.99Å; P885-R888 WeakPolarHBondContact O-CB 3.45Å; P885-R888 PolarHBondContact O-N 3.22Å
886I87.2Confident84Confident7 Ų763.8 Ų63.84%0.03634%0.338CS..G310 helixtrans-60.3-22.6-178-156.9171.7000112.5L810 S812 T849 I851 R888 I889L810-I886 HydrophobicContact CB-CD1 4.41Å; L810-I886 HydrophobicContact CD2-CD1 4.23Å; S812-I886 PolarHBondContact OG-O 3.34Å; S812-I886 VanDerWaalsContact OG-O 3.1Å; T849-I886 HydrophobicContact CG2-CB 4.27Å; T849-I886 HydrophobicContact CG2-CD1 4.17Å; T849-I886 HydrophobicContact CG2-CG2 4.31Å; T849-I886 WeakPolarHBondContact O-CB 3.21Å; T849-I886 PolarHBondContact O-N 2.7Å; I851-I886 HydrophobicContact CG2-CB 4.23Å; I851-I886 HydrophobicContact CG2-CG1 4.12Å; I886-R888 PolarHBondContact O-N 3.17Å; I886-I889 HydrophobicContact CG1-CD1 3.74Å; I886-I889 PolarHBondContact O-N 3.36Å; I886-I889 VanDerWaalsContact O-N 3.15Å
887S83.4Confident83.5Confident60 Ų6065.2 Ų65.242%0.4235%0.353SS..G310 helixtrans-60.1-21.3172.9570000113.5E848 P885 I889E848-S887 PolarHBondContact OE1-OG 3.38Å; P885-S887 WeakPolarHBondContact CB-OG 3.42Å; P885-S887 PolarHBondContact O-N 3.4Å; P885-S887 VanDerWaalsContact O-N 3.07Å; S887-I889 VanDerWaalsContact C-N 3.3Å; S887-I889 PolarHBondContact O-N 2.91Å
888R87.5Confident82.6Confident64 Ų6465.6 Ų65.624%0.24235%0.349CS..G310 helixtrans-73.1-14.5174.2-73.8-75.7177.193.314.5114.2L827 A828 P885 I886 T890L827-R888 CarbonylContact C-O 3.54Å; L827-R888 WeakPolarHBondContact CA-O 3.47Å; L827-R888 HydrophobicContact CD2-CB 4.1Å; A828-R888 PolarHBondContact N-O 3.07Å; P885-R888 HydrophobicContact CG-CG 3.99Å; P885-R888 WeakPolarHBondContact O-CB 3.45Å; P885-R888 PolarHBondContact O-N 3.22Å; I886-R888 PolarHBondContact O-N 3.17Å; R888-T890 PolarHBondContact O-N 3.32Å
889I87.2Confident81.5Confident1 Ų169.8 Ų69.81%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-69.8124-176.4-64.5173.6000110.4F817 V819 V825 Y826 L827 I851 I886 S887F817-I889 HydrophobicContact CD2-CG2 4.28Å; V819-I889 HydrophobicContact CB-CD1 4.39Å; V819-I889 HydrophobicContact CG1-CD1 4.05Å; V819-I889 HydrophobicContact CG2-CD1 3.68Å; V825-I889 HydrophobicContact CB-CD1 4.18Å; V825-I889 HydrophobicContact CB-CG1 4.07Å; V825-I889 HydrophobicContact CB-CG2 4.07Å; V825-I889 HydrophobicContact CG1-CD1 3.88Å; V825-I889 HydrophobicContact CG1-CG1 4.31Å; V825-I889 HydrophobicContact CG1-CG2 4.18Å; V825-I889 HydrophobicContact CG2-CD1 4.17Å; V825-I889 HydrophobicContact CG2-CG1 4.02Å; Y826-I889 WeakPolarHBondContact O-CA 3.47Å; L827-I889 HydrophobicContact CD2-CG1 4.34Å; I851-I889 HydrophobicContact CD1-CD1 3.71Å; I851-I889 HydrophobicContact CD1-CG1 3.82Å; I886-I889 HydrophobicContact CG1-CD1 3.74Å; I886-I889 PolarHBondContact O-N 3.36Å; I886-I889 VanDerWaalsContact O-N 3.15Å; S887-I889 VanDerWaalsContact C-N 3.3Å; S887-I889 PolarHBondContact O-N 2.91Å
890T86.1Confident81.3Confident51 Ų5161.5 Ų61.531%0.31333%0.327SS..EExtended strand (participates in β ladder)trans-104-14.9177.6530000113.6F817 Y826 A828 R888F817-T890 VanDerWaalsContact CE2-O 3.31Å; F817-T890 WeakPolarHBondContact CE2-O 3.46Å; Y826-T890 WeakPolarHBondContact CB-OG1 3.31Å; Y826-T890 PolarHBondContact O-N 2.9Å; Y826-T890 PolarHBondContact O-OG1 2.73Å; A828-T890 HydrophobicContact CB-CG2 3.69Å; R888-T890 PolarHBondContact O-N 3.32Å
891G83.7Confident81.1Confident10 Ų1061.6 Ų61.610%0.10332%0.323CS..EExtended strand (participates in β ladder)trans177170174.500000112.4V825 Y826V825-G891 CarbonylContact C-O 3.57Å; V825-G891 WeakPolarHBondContact CA-O 3.26Å; Y826-G891 PolarHBondContact N-O 3.45Å
892L85.6Confident80.2Confident77 Ų7758.8 Ų58.840%0.40332%0.322SS..EExtended strand (participates in β ladder)trans-91.8150.6171.6-71.1159.6000110.5F817 D823 V825F817-L892 HydrophobicContact CB-CD1 4.32Å; F817-L892 HydrophobicContact CB-CG 4.46Å; D823-L892 HydrophobicContact CB-CD2 4.1Å; V825-L892 HydrophobicContact CG1-CD2 3.92Å
893C88.2Confident78.4Confident29 Ų2957.8 Ų57.820%0.19633%0.328CS..EExtended strand (participates in β ladder)trans-140.8176.7170.764.90000111.1C824 Y826C824-C893 VanDerWaalsContact C-SG 3.59Å; C824-C893 WeakPolarHBondContact CB-O 3.3Å; C824-C893 WeakPolarHBondContact CB-SG 3.32Å; C824-C893 PolarHBondContact O-N 2.76Å; C824-C893 VanDerWaalsContact O-O 3.11Å; Y826-C893 HydrophobicContact CD2-CB 4.07Å; Y826-C893 HydrophobicContact CE2-CB 3.55Å
894S85.2Confident76.7Confident91 Ų9162.1 Ų62.164%0.63634%0.339SS*.  trans-129.6113.8171.6-177.50000109.2
895V87.3Confident74Confident43 Ų4369 Ų6926%0.26137%0.365SS..  trans-84.8127.9168.8-174.90000107.7C824 I836 F856 I875C824-V895 HydrophobicContact CB-CG2 3.93Å; I836-V895 HydrophobicContact CG2-CG2 3.78Å; F856-V895 HydrophobicContact CD1-CG1 4.32Å; F856-V895 HydrophobicContact CD2-CG2 4.4Å; F856-V895 HydrophobicContact CE1-CG1 3.81Å; F856-V895 HydrophobicContact CE2-CG2 4.29Å; F856-V895 HydrophobicContact CZ-CB 4.44Å; F856-V895 HydrophobicContact CZ-CG1 3.95Å; F856-V895 HydrophobicContact CZ-CG2 4.48Å; I875-V895 HydrophobicContact CD1-CB 4.38Å; I875-V895 HydrophobicContact CD1-CG1 3.89Å; I875-V895 HydrophobicContact CD1-CG2 3.61Å; I875-V895 HydrophobicContact CG1-CG1 4.32Å
896L80.8Confident71.1Confident74 Ų7476.5 Ų76.539%0.38740%0.398SS..  trans-117.7138.2-179.7-64.1-179.5000108.9Y901L896-Y901 HydrophobicContact CD1-CD2 4.4Å
897S77.4Confident68.2Low72 Ų7284 Ų8450%0.50344%0.438SS..  trans-58.1148.1164.760.50000110K899 S900 Y901S897-K899 PolarHBondContact O-N 3.34Å; S897-K899 VanDerWaalsContact O-N 3.14Å; S897-S900 CarbonylContact O-C 3.55Å; S897-S900 WeakPolarHBondContact O-CA 3.27Å; S897-S900 WeakPolarHBondContact O-CB 3.29Å; S897-S900 PolarHBondContact O-N 2.86Å; S897-S900 PolarHBondContact OG-OG 3.4Å; S897-Y901 PolarHBondContact O-N 3.17Å
898V68.8Low65.5Low72 Ų7290.4 Ų90.444%0.43646%0.458SS..Hα-helixtrans-51.1-42.9-178.4-179.90000111.5Y871 S900 Y901 C902Y871-V898 HydrophobicContact CE2-CG1 3.94Å; V898-S900 VanDerWaalsContact C-N 3.32Å; V898-S900 PolarHBondContact O-N 3.46Å; V898-Y901 PolarHBondContact O-N 3.11Å; V898-C902 WeakPolarHBondContact O-CB 3.33Å; V898-C902 PolarHBondContact O-N 3.12Å; V898-C902 PolarHBondContact O-SG 2.81Å
899K60.4Low62.5Low142 Ų14291.3 Ų91.362%0.61747%0.471SS*.Hα-helixtrans-55-42.2173-173.9177.4179.6-179.50112.9S897 C903S897-K899 PolarHBondContact O-N 3.34Å; S897-K899 VanDerWaalsContact O-N 3.14Å; K899-C903 VanDerWaalsContact O-CB 3.29Å; K899-C903 WeakPolarHBondContact O-CB 3.3Å; K899-C903 PolarHBondContact O-N 3.33Å; K899-C903 PolarHBondContact O-SG 3.16Å
900S67Low59.7Low32 Ų3294.9 Ų94.922%0.22449%0.485CS..Hα-helixtrans-76.3-39.9178.6-550000112.3S897 V898 C903 R904S897-S900 CarbonylContact O-C 3.55Å; S897-S900 WeakPolarHBondContact O-CA 3.27Å; S897-S900 WeakPolarHBondContact O-CB 3.29Å; S897-S900 PolarHBondContact O-N 2.86Å; S897-S900 PolarHBondContact OG-OG 3.4Å; V898-S900 VanDerWaalsContact C-N 3.32Å; V898-S900 PolarHBondContact O-N 3.46Å; S900-C903 PolarHBondContact O-N 3.09Å; S900-R904 VanDerWaalsContact O-CB 3.28Å; S900-R904 WeakPolarHBondContact O-CB 3.33Å; S900-R904 WeakPolarHBondContact O-CG 3.35Å; S900-R904 PolarHBondContact O-N 3.42Å
901Y66.8Low57Low76 Ų7699 Ų9930%0.29850%0.5SS..Hα-helixtrans-59.8-47.3176.5-176-97.3000111.3Y871 L896 S897 V898 R905Y871-Y901 HydrophobicContact CD1-CE1 4.42Å; L896-Y901 HydrophobicContact CD1-CD2 4.4Å; S897-Y901 PolarHBondContact O-N 3.17Å; V898-Y901 PolarHBondContact O-N 3.11Å; Y901-R905 PolarHBondContact OH-NH1 3.31Å
902C55.4Low54.6Low69 Ų69105.7 Ų105.747%0.46653%0.527SS..Hα-helixtrans-71-31.2178.7-63.30000113.4V898V898-C902 WeakPolarHBondContact O-CB 3.33Å; V898-C902 PolarHBondContact O-N 3.12Å; V898-C902 PolarHBondContact O-SG 2.81Å
903C46.4Very low52.7Low89 Ų89111.1 Ų111.160%0.60154%0.542SS*.Hα-helixtrans-92.2-17.7-177.7-68.40000115.5K899 S900K899-C903 VanDerWaalsContact O-CB 3.29Å; K899-C903 WeakPolarHBondContact O-CB 3.3Å; K899-C903 PolarHBondContact O-N 3.33Å; K899-C903 PolarHBondContact O-SG 3.16Å; S900-C903 PolarHBondContact O-N 3.09Å
904R50.3Low50.7Low200 Ų200110.4 Ų110.476%0.75554%0.537SS*.Hα-helixtrans-104.83-173.3-65.1-172.1176.2-162-1115.5S900S900-R904 VanDerWaalsContact O-CB 3.28Å; S900-R904 WeakPolarHBondContact O-CB 3.33Å; S900-R904 WeakPolarHBondContact O-CG 3.35Å; S900-R904 PolarHBondContact O-N 3.42Å
905R31.9Very low49.1Very low173 Ų173108 Ų10865%0.65352%0.521SS*.  trans-103.839.9-174.4-151.4-179.8-178.6140.87.7115.5Y901Y901-R905 PolarHBondContact OH-NH1 3.31Å
906H27.2Very low47.7Very low174 Ų174108.4 Ų108.481%0.80652%0.524SS*.  trans-142.278.8171.1-78.6-75.8000113.4
907L25.4Very low47Very low165 Ų165109.9 Ų109.986%0.86454%0.535SS*.  trans-142.872.7162.6-83.8178.5000110.8
908F26.2Very low46.7Very low195 Ų195107.2 Ų107.286%0.85552%0.516SS*.  trans-142.375.7159.3-102.1-79.5000111.8
909T25.9Very low46.8Very low83 Ų83105.8 Ų105.851%0.50950%0.503SS..  trans67.5151.8130.5-8.50000122.7R964T909-R964 PolarHBondContact O-NH2 2.87Å
910Y27.6Very low47.4Very low76 Ų76106.1 Ų106.130%0.29851%0.505SS..  trans75.6105.1166.2-69.7-77.1000119.8P916 R919 R964Y910-P916 HydrophobicContact CD1-CB 4.39Å; Y910-P916 HydrophobicContact CD1-CG 4.07Å; Y910-P916 HydrophobicContact CD2-CB 3.61Å; Y910-P916 HydrophobicContact CD2-CG 3.53Å; Y910-P916 HydrophobicContact CE1-CB 4.26Å; Y910-P916 HydrophobicContact CE1-CG 4.43Å; Y910-P916 HydrophobicContact CE2-CB 3.48Å; Y910-P916 VanDerWaalsContact CE2-CB 3.48Å; Y910-P916 HydrophobicContact CE2-CG 3.95Å; Y910-P916 HydrophobicContact CG-CB 4.11Å; Y910-P916 HydrophobicContact CG-CG 3.63Å; Y910-R919 HydrophobicContact CE1-CB 4.48Å; Y910-R964 PolarHBondContact O-NH1 3.02Å
911H30.6Very low48.2Very low137 Ų137110.8 Ų110.863%0.63452%0.517SS*.  trans-78.7165.3146.6-79.3-59.7000110.6K1054H911-K1054 PolarHBondContact CE1-NZ 3.17Å; H911-K1054 VanDerWaalsContact CE1-NZ 3.33Å; H911-K1054 PolarHBondContact NE2-NZ 3.31Å
912F31.9Very low48.8Very low151 Ų151107.4 Ų107.466%0.66250%0.504SS*.SBendtrans-55.7155-178.5-84.1-120.4000115.1A957 A961F912-A957 HydrophobicContact CD1-CB 4.3Å; F912-A957 HydrophobicContact CE1-CB 4.02Å; F912-A961 HydrophobicContact CZ-CB 4.46Å
913R47.2Very low49.9Very low190 Ų190108.7 Ų108.772%0.71750%0.504SS*.SBendtrans70.9140.2-179.5-63.2-176.7176.4163.4-0.6117.9
914P45.9Very low51.6Low15 Ų15108.2 Ų108.210%0.09751%0.507CS..SBend-65-177.5-71.1-9.728.5000110.2V918 V938 W942P914-V918 HydrophobicContact CB-CB 4.41Å; P914-V938 HydrophobicContact CG-CG1 3.73Å; P914-W942 HydrophobicContact CB-CE3 4.26Å; P914-W942 HydrophobicContact CG-CE3 3.96Å
915S51.8Low53.3Low41 Ų41104.2 Ų104.229%0.28750%0.497SS..  trans-41.6141.1-175.2172.20000114.3V917 V918 R919S915-V917 PolarHBondContact O-N 2.89Å; S915-V917 PolarHBondContact OG-N 3.38Å; S915-V918 PolarHBondContact O-N 3.04Å; S915-R919 PolarHBondContact O-N 3.5Å
916P56.8Low55.8Low51 Ų5198.4 Ų98.433%0.33148%0.479SS..Hα-helixtrans-44.1-29.9170.1-30.434.7000114.8Y910 K920Y910-P916 HydrophobicContact CD1-CB 4.39Å; Y910-P916 HydrophobicContact CD1-CG 4.07Å; Y910-P916 HydrophobicContact CD2-CB 3.61Å; Y910-P916 HydrophobicContact CD2-CG 3.53Å; Y910-P916 HydrophobicContact CE1-CB 4.26Å; Y910-P916 HydrophobicContact CE1-CG 4.43Å; Y910-P916 HydrophobicContact CE2-CB 3.48Å; Y910-P916 VanDerWaalsContact CE2-CB 3.48Å; Y910-P916 HydrophobicContact CE2-CG 3.95Å; Y910-P916 HydrophobicContact CG-CB 4.11Å; Y910-P916 HydrophobicContact CG-CG 3.63Å; P916-K920 WeakPolarHBondContact O-CB 3.42Å; P916-K920 WeakPolarHBondContact O-CG 3.31Å; P916-K920 PolarHBondContact O-N 2.86Å
917V65.8Low58.5Low104 Ų10494.8 Ų94.863%0.6347%0.471SS*.Hα-helixtrans-68.8-45.5178.1-176.70000111.6S915 K920 R921S915-V917 PolarHBondContact O-N 2.89Å; S915-V917 PolarHBondContact OG-N 3.38Å; V917-K920 PolarHBondContact O-N 3.32Å; V917-R921 PolarHBondContact O-N 3.14Å
918V72Confident61.3Low16 Ų1694.5 Ų94.510%0.09747%0.47CS..Hα-helixtrans-65.2-43.4-178.2177.40000110.7P914 S915 R921 I922 Y953P914-V918 HydrophobicContact CB-CB 4.41Å; S915-V918 PolarHBondContact O-N 3.04Å; V918-R921 PolarHBondContact O-N 3.38Å; V918-I922 HydrophobicContact CG1-CD1 3.8Å; V918-I922 WeakPolarHBondContact O-CG1 3.36Å; V918-I922 PolarHBondContact O-N 3.06Å; V918-Y953 HydrophobicContact CG2-CE1 4.38Å
919R70.4Confident63.9Low43 Ų4387.4 Ų87.416%0.16244%0.444CS..Hα-helixtrans-66.1-39.8176.7-162.9179.7-166.6116.810.2112Y910 S915 I922 M923 F931 I934 S935 V938Y910-R919 HydrophobicContact CE1-CB 4.48Å; S915-R919 PolarHBondContact O-N 3.5Å; R919-I922 PolarHBondContact O-N 2.86Å; R919-M923 HydrophobicContact CG-CG 4.47Å; R919-M923 HydrophobicContact CG-SD 4.13Å; R919-M923 WeakPolarHBondContact O-CB 3.49Å; R919-M923 VanDerWaalsContact O-CG 3.22Å; R919-M923 WeakPolarHBondContact O-CG 3.35Å; R919-M923 PolarHBondContact O-N 3.4Å; R919-F931 VanDerWaalsContact NH2-CZ 3.27Å; R919-I934 HydrophobicContact CG-CG2 4.18Å; R919-S935 PolarHBondContact NH2-OG 3.09Å; R919-V938 HydrophobicContact CG-CG2 4.47Å
920K73.9Confident66.1Low149 Ų14986.4 Ų86.465%0.64844%0.44SS*.Hα-helixtrans-60.3-44.2173.5-85.9-174.2173-170.20112.2P916 V917 M923 A924P916-K920 WeakPolarHBondContact O-CB 3.42Å; P916-K920 WeakPolarHBondContact O-CG 3.31Å; P916-K920 PolarHBondContact O-N 2.86Å; V917-K920 PolarHBondContact O-N 3.32Å; K920-M923 PolarHBondContact O-N 3.47Å; K920-A924 PolarHBondContact O-N 3.09Å
921R82.4Confident68.1Low130 Ų13090 Ų9049%0.49146%0.458SS..Hα-helixtrans-60.5-52.7176.9-175.5-176.567.8-161-1.3111V917 V918 M923 A924 E925V917-R921 PolarHBondContact O-N 3.14Å; V918-R921 PolarHBondContact O-N 3.38Å; R921-M923 VanDerWaalsContact C-N 3.29Å; R921-M923 PolarHBondContact O-N 3.25Å; R921-A924 PolarHBondContact O-N 2.89Å; R921-E925 VanDerWaalsContact CD-OE1 3.31Å; R921-E925 WeakPolarHBondContact CD-OE1 3.45Å; R921-E925 VanDerWaalsContact CG-CD 3.49Å; R921-E925 HydrophobicContact CG-CG 4.34Å; R921-E925 WeakPolarHBondContact CG-OE1 3.22Å; R921-E925 IonicContact NE-OE1 3.95Å; R921-E925 IonicContact NE-OE2 2.78Å; R921-E925 WeakPolarHBondContact O-CG 3.44Å; R921-E925 PolarHBondContact O-N 2.83Å
922I80.4Confident69.9Low4 Ų485.2 Ų85.22%0.02145%0.446CS..Hα-helixtrans-61.7-35.7179.8-67.8165.9000111.8V918 R919 E925 N926 I934 I937 V938 E941V918-I922 HydrophobicContact CG1-CD1 3.8Å; V918-I922 WeakPolarHBondContact O-CG1 3.36Å; V918-I922 PolarHBondContact O-N 3.06Å; R919-I922 PolarHBondContact O-N 2.86Å; I922-E925 PolarHBondContact O-N 3.4Å; I922-N926 WeakPolarHBondContact O-CB 3.33Å; I922-N926 PolarHBondContact O-N 2.93Å; I922-N926 PolarHBondContact O-ND2 3.26Å; I922-I934 HydrophobicContact CG2-CD1 3.99Å; I922-I934 HydrophobicContact CG2-CG2 4.27Å; I922-I937 HydrophobicContact CD1-CG2 4.24Å; I922-I937 HydrophobicContact CG1-CG2 4.43Å; I922-I937 HydrophobicContact CG2-CB 4.05Å; I922-I937 HydrophobicContact CG2-CD1 4.4Å; I922-I937 HydrophobicContact CG2-CG2 3.68Å; I922-V938 HydrophobicContact CD1-CB 4.49Å; I922-V938 HydrophobicContact CD1-CG2 3.62Å; I922-V938 HydrophobicContact CG2-CG2 4.48Å; I922-E941 HydrophobicContact CD1-CG 4.4Å
923M78.5Confident72.2Confident96 Ų9680.5 Ų80.547%0.47343%0.427SS..Hα-helixtrans-68.9-31.2173.7-73.3175.466.200113.6R919 K920 R921 I934R919-M923 HydrophobicContact CG-CG 4.47Å; R919-M923 HydrophobicContact CG-SD 4.13Å; R919-M923 WeakPolarHBondContact O-CB 3.49Å; R919-M923 VanDerWaalsContact O-CG 3.22Å; R919-M923 WeakPolarHBondContact O-CG 3.35Å; R919-M923 PolarHBondContact O-N 3.4Å; K920-M923 PolarHBondContact O-N 3.47Å; R921-M923 VanDerWaalsContact C-N 3.29Å; R921-M923 PolarHBondContact O-N 3.25Å; M923-I934 HydrophobicContact CG-CD1 4.15Å; M923-I934 HydrophobicContact CG-CG1 4.24Å; M923-I934 HydrophobicContact CG-CG2 3.84Å
924A82.6Confident73.7Confident80 Ų8071.8 Ų71.866%0.66140%0.395SS*.Hα-helixtrans-77.6-33.4174.700000112.1K920 R921K920-A924 PolarHBondContact O-N 3.09Å; R921-A924 PolarHBondContact O-N 2.89Å
925E85.6Confident74.9Confident115 Ų11573.1 Ų73.154%0.53741%0.405SS..Hα-helixtrans-76.5-22.2175.9-70.4163.8170.700113R921 I922R921-E925 VanDerWaalsContact CD-OE1 3.31Å; R921-E925 WeakPolarHBondContact CD-OE1 3.45Å; R921-E925 VanDerWaalsContact CG-CD 3.49Å; R921-E925 HydrophobicContact CG-CG 4.34Å; R921-E925 WeakPolarHBondContact CG-OE1 3.22Å; R921-E925 IonicContact NE-OE1 3.95Å; R921-E925 IonicContact NE-OE2 2.78Å; R921-E925 WeakPolarHBondContact O-CG 3.44Å; R921-E925 PolarHBondContact O-N 2.83Å; I922-E925 PolarHBondContact O-N 3.4Å
926N84.8Confident76.2Confident51 Ų5178 Ų7827%0.27342%0.421SS..  trans-133.763.4-176-55.1-100.9000111I922 D928 C929 I934 I937I922-N926 WeakPolarHBondContact O-CB 3.33Å; I922-N926 PolarHBondContact O-N 2.93Å; I922-N926 PolarHBondContact O-ND2 3.26Å; N926-D928 PolarHBondContact O-N 3.5Å; N926-C929 HydrophobicContact CB-CB 3.89Å; N926-C929 PolarHBondContact O-N 3.13Å; N926-I934 HydrophobicContact CB-CD1 3.89Å; N926-I937 HydrophobicContact CB-CD1 4.36Å
927P83.2Confident77.5Confident98 Ų9877.8 Ų77.864%0.63642%0.416SS*.THydrogen-bonded Turntrans-62.1-29.8-174.925.8-34.9000113.5
928D84.9Confident78.1Confident159 Ų15973.3 Ų73.385%0.8539%0.389SS*.THydrogen-bonded Turntrans-86-8.5-178.3-50.3-51000113.5N926N926-D928 PolarHBondContact O-N 3.5Å
929C79.9Confident78.3Confident47 Ų4774.1 Ų74.132%0.31840%0.401SS..SBendtrans-75.8133.6179.7-91.10000112N926 D933 I934N926-C929 HydrophobicContact CB-CB 3.89Å; N926-C929 PolarHBondContact O-N 3.13Å; C929-D933 HydrophobicContact CB-CB 4.04Å; C929-I934 HydrophobicContact CB-CD1 3.72Å; C929-I934 HydrophobicContact CB-CG1 4Å
930S72.1Confident78.8Confident61 Ų6174.9 Ų74.943%0.42741%0.412SS..  trans-60.3157.8173.1840000111G932 D933 I934S930-G932 PolarHBondContact O-N 3.1Å; S930-G932 PolarHBondContact OG-N 3.31Å; S930-D933 VanDerWaalsContact CB-OD2 3.31Å; S930-D933 WeakPolarHBondContact CB-OD2 3.3Å; S930-D933 PolarHBondContact O-N 3.13Å; S930-D933 PolarHBondContact OG-N 3.42Å; S930-D933 PolarHBondContact OG-OD2 3.11Å; S930-I934 WeakPolarHBondContact O-CG1 3.23Å; S930-I934 PolarHBondContact O-N 2.78Å
931F68.7Low79.2Confident152 Ų15271 Ų7167%0.66740%0.397SS*.Hα-helixtrans-53.7-29.7173.2179.4-89.8000112.9R919 S935R919-F931 VanDerWaalsContact NH2-CZ 3.27Å; F931-S935 PolarHBondContact O-N 3.12Å; F931-S935 PolarHBondContact O-OG 2.83Å
932G69.2Low78.9Confident36 Ų3666.7 Ų66.737%0.37138%0.381SS..Hα-helixtrans-66.8-46.1173.200000112.3S930 S935 K936S930-G932 PolarHBondContact O-N 3.1Å; S930-G932 PolarHBondContact OG-N 3.31Å; G932-S935 WeakPolarHBondContact O-CA 3.36Å; G932-S935 WeakPolarHBondContact O-CB 3.5Å; G932-S935 PolarHBondContact O-N 2.88Å; G932-S935 VanDerWaalsContact O-N 3.13Å; G932-K936 WeakPolarHBondContact O-CG 3.49Å; G932-K936 PolarHBondContact O-N 2.86Å
933D79.8Confident78.9Confident53 Ų5375 Ų7528%0.28342%0.416SS..Hα-helixtrans-71.3-40-179.4-56.4-54.3000112C929 S930 S935 K936 I937C929-D933 HydrophobicContact CB-CB 4.04Å; S930-D933 VanDerWaalsContact CB-OD2 3.31Å; S930-D933 WeakPolarHBondContact CB-OD2 3.3Å; S930-D933 PolarHBondContact O-N 3.13Å; S930-D933 PolarHBondContact OG-N 3.42Å; S930-D933 PolarHBondContact OG-OD2 3.11Å; D933-S935 PolarHBondContact O-N 3.38Å; D933-K936 WeakPolarHBondContact O-CA 3.32Å; D933-K936 WeakPolarHBondContact O-CB 3.31Å; D933-K936 PolarHBondContact O-N 3.31Å; D933-K936 WeakPolarHBondContact OD1-CE 3.49Å; D933-K936 IonicContact OD1-NZ 2.62Å; D933-K936 PolarHBondContact OD1-NZ 2.7Å; D933-I937 WeakPolarHBondContact O-CG1 3.16Å; D933-I937 PolarHBondContact O-N 3.07Å
934I79.3Confident79.2Confident6 Ų677.3 Ų77.33%0.03142%0.424CS..Hα-helixtrans-53.4-40.7167.4-62.6-64.8000110.7R919 I922 M923 N926 C929 S930 I937 V938R919-I934 HydrophobicContact CG-CG2 4.18Å; I922-I934 HydrophobicContact CG2-CD1 3.99Å; I922-I934 HydrophobicContact CG2-CG2 4.27Å; M923-I934 HydrophobicContact CG-CD1 4.15Å; M923-I934 HydrophobicContact CG-CG1 4.24Å; M923-I934 HydrophobicContact CG-CG2 3.84Å; N926-I934 HydrophobicContact CB-CD1 3.89Å; C929-I934 HydrophobicContact CB-CD1 3.72Å; C929-I934 HydrophobicContact CB-CG1 4Å; S930-I934 WeakPolarHBondContact O-CG1 3.23Å; S930-I934 PolarHBondContact O-N 2.78Å; I934-I937 PolarHBondContact O-N 2.93Å; I934-V938 HydrophobicContact CG2-CG2 4.4Å; I934-V938 WeakPolarHBondContact O-CB 3.33Å; I934-V938 WeakPolarHBondContact O-CG2 3.39Å; I934-V938 PolarHBondContact O-N 3Å
935S70.7Confident79.1Confident44 Ų4475 Ų7531%0.30840%0.4SS..Hα-helixtrans-70.2-32.5177.4-550000112.9R919 F931 G932 D933 G939R919-S935 PolarHBondContact NH2-OG 3.09Å; F931-S935 PolarHBondContact O-N 3.12Å; F931-S935 PolarHBondContact O-OG 2.83Å; G932-S935 WeakPolarHBondContact O-CA 3.36Å; G932-S935 WeakPolarHBondContact O-CB 3.5Å; G932-S935 PolarHBondContact O-N 2.88Å; G932-S935 VanDerWaalsContact O-N 3.13Å; D933-S935 PolarHBondContact O-N 3.38Å; S935-G939 PolarHBondContact O-N 2.7Å
936K79.5Confident79Confident142 Ų14271.6 Ų71.662%0.61739%0.389SS*.Hα-helixtrans-67.3-46.1172.2-64.5171.4-166.7161.50111.3G932 D933 G939 S940G932-K936 WeakPolarHBondContact O-CG 3.49Å; G932-K936 PolarHBondContact O-N 2.86Å; D933-K936 WeakPolarHBondContact O-CA 3.32Å; D933-K936 WeakPolarHBondContact O-CB 3.31Å; D933-K936 PolarHBondContact O-N 3.31Å; D933-K936 WeakPolarHBondContact OD1-CE 3.49Å; D933-K936 IonicContact OD1-NZ 2.62Å; D933-K936 PolarHBondContact OD1-NZ 2.7Å; K936-G939 CarbonylContact O-C 3.55Å; K936-G939 PolarHBondContact O-N 3.31Å; K936-G939 VanDerWaalsContact O-N 3.16Å; K936-S940 PolarHBondContact O-N 2.79Å
937I84.1Confident78.8Confident47 Ų4774.8 Ų74.824%0.24141%0.406CS..Hα-helixtrans-60.2-51.2178.2-62.8163.2000109.5I922 N926 D933 I934 G939 S940 E941I922-I937 HydrophobicContact CD1-CG2 4.24Å; I922-I937 HydrophobicContact CG1-CG2 4.43Å; I922-I937 HydrophobicContact CG2-CB 4.05Å; I922-I937 HydrophobicContact CG2-CD1 4.4Å; I922-I937 HydrophobicContact CG2-CG2 3.68Å; N926-I937 HydrophobicContact CB-CD1 4.36Å; D933-I937 WeakPolarHBondContact O-CG1 3.16Å; D933-I937 PolarHBondContact O-N 3.07Å; I934-I937 PolarHBondContact O-N 2.93Å; I937-G939 VanDerWaalsContact C-N 3.26Å; I937-G939 PolarHBondContact O-N 2.9Å; I937-S940 WeakPolarHBondContact O-CB 3.46Å; I937-S940 PolarHBondContact O-N 2.83Å; I937-E941 HydrophobicContact CG2-CG 4.5Å; I937-E941 WeakPolarHBondContact O-CG 3.41Å; I937-E941 PolarHBondContact O-N 3.49Å
938V79Confident78.7Confident11 Ų1176.2 Ų76.27%0.06741%0.405CS..Hα-helixtrans-54.7-40.7174.1168.30000112.2P914 R919 I922 I934 W942P914-V938 HydrophobicContact CG-CG1 3.73Å; R919-V938 HydrophobicContact CG-CG2 4.47Å; I922-V938 HydrophobicContact CD1-CB 4.49Å; I922-V938 HydrophobicContact CD1-CG2 3.62Å; I922-V938 HydrophobicContact CG2-CG2 4.48Å; I934-V938 HydrophobicContact CG2-CG2 4.4Å; I934-V938 WeakPolarHBondContact O-CB 3.33Å; I934-V938 WeakPolarHBondContact O-CG2 3.39Å; I934-V938 PolarHBondContact O-N 3Å; V938-W942 WeakPolarHBondContact O-CB 3.37Å; V938-W942 PolarHBondContact O-N 3.33Å
939G75Confident78.4Confident32 Ų3273 Ų7333%0.3339%0.385SS..Hα-helixtrans-71.3-3117700000114.2S935 K936 I937 K943S935-G939 PolarHBondContact O-N 2.7Å; K936-G939 CarbonylContact O-C 3.55Å; K936-G939 PolarHBondContact O-N 3.31Å; K936-G939 VanDerWaalsContact O-N 3.16Å; I937-G939 VanDerWaalsContact C-N 3.26Å; I937-G939 PolarHBondContact O-N 2.9Å; G939-K943 WeakPolarHBondContact O-CG 3.48Å; G939-K943 PolarHBondContact O-N 3.18Å
940S81.2Confident78.3Confident59 Ų5972.6 Ų72.641%0.41338%0.377SS..Hα-helixtrans-71.4-47.8174.3-167.50000110.8K936 I937 W942 K943 K944K936-S940 PolarHBondContact O-N 2.79Å; I937-S940 WeakPolarHBondContact O-CB 3.46Å; I937-S940 PolarHBondContact O-N 2.83Å; S940-W942 VanDerWaalsContact C-N 3.34Å; S940-W942 PolarHBondContact O-N 3.39Å; S940-K943 WeakPolarHBondContact O-CB 3.46Å; S940-K943 PolarHBondContact O-N 3.38Å; S940-K944 WeakPolarHBondContact O-CG 3.19Å; S940-K944 PolarHBondContact O-N 2.99Å
941E81.3Confident78.5Confident68 Ų6875.4 Ų75.432%0.31838%0.382SS..Hα-helixtrans-57.7-45.2173.8-68.3-58.5109.200111.5I922 I937 K943 K944 L945I922-E941 HydrophobicContact CD1-CG 4.4Å; I937-E941 HydrophobicContact CG2-CG 4.5Å; I937-E941 WeakPolarHBondContact O-CG 3.41Å; I937-E941 PolarHBondContact O-N 3.49Å; E941-K943 PolarHBondContact O-N 3.45Å; E941-K944 WeakPolarHBondContact O-CB 3.41Å; E941-K944 PolarHBondContact O-N 2.82Å; E941-K944 WeakPolarHBondContact OE1-CE 3.43Å; E941-K944 IonicContact OE1-NZ 2.71Å; E941-K944 PolarHBondContact OE1-NZ 3.16Å; E941-L945 PolarHBondContact O-N 3.45Å
942W77.9Confident78.8Confident40 Ų4077.1 Ų77.115%0.15238%0.384CS..Hα-helixtrans-59.8-32.2175.5-177.2-93.5000113.8P914 V938 S940 L945 K950 Y953P914-W942 HydrophobicContact CB-CE3 4.26Å; P914-W942 HydrophobicContact CG-CE3 3.96Å; V938-W942 WeakPolarHBondContact O-CB 3.37Å; V938-W942 PolarHBondContact O-N 3.33Å; S940-W942 VanDerWaalsContact C-N 3.34Å; S940-W942 PolarHBondContact O-N 3.39Å; W942-L945 HydrophobicContact CD2-CD1 4.39Å; W942-L945 HydrophobicContact CE3-CD1 3.7Å; W942-L945 HydrophobicContact CZ3-CD1 4.03Å; W942-K950 HydrophobicContact CH2-CB 3.99Å; W942-K950 HydrophobicContact CH2-CG 4.15Å; W942-K950 HydrophobicContact CZ2-CB 3.91Å; W942-K950 HydrophobicContact CZ2-CD 4.09Å; W942-K950 HydrophobicContact CZ2-CG 3.82Å; W942-K950 WeakPolarHBondContact O-CE 3.37Å; W942-Y953 AromaticContact CZ3-CD2 3.89Å; W942-Y953 HydrophobicContact CZ3-CD2 3.89Å; W942-Y953 AromaticContact CZ3-CG 3.95Å; W942-Y953 HydrophobicContact CZ3-CG 3.95Å
943K80Confident78.7Confident178 Ų17879.4 Ų79.477%0.77438%0.382SS*.Hα-helixtrans-73.5-26175.7-77.6177.8175.8-172.20113.2G939 S940 E941G939-K943 WeakPolarHBondContact O-CG 3.48Å; G939-K943 PolarHBondContact O-N 3.18Å; S940-K943 WeakPolarHBondContact O-CB 3.46Å; S940-K943 PolarHBondContact O-N 3.38Å; E941-K943 PolarHBondContact O-N 3.45Å
944K84Confident78.1Confident144 Ų14482.3 Ų82.363%0.62639%0.394SS*.Hα-helixtrans-78.6-26.6178.7-65.7173.6-172.8173.20113.4S940 E941S940-K944 WeakPolarHBondContact O-CG 3.19Å; S940-K944 PolarHBondContact O-N 2.99Å; E941-K944 WeakPolarHBondContact O-CB 3.41Å; E941-K944 PolarHBondContact O-N 2.82Å; E941-K944 WeakPolarHBondContact OE1-CE 3.43Å; E941-K944 IonicContact OE1-NZ 2.71Å; E941-K944 PolarHBondContact OE1-NZ 3.16Å
945L80Confident77.9Confident31 Ų3187.3 Ų87.316%0.16242%0.417CS..SBendtrans-59140179.8-65.7176.8000111.5E941 W942 E949 K950 Y953E941-L945 PolarHBondContact O-N 3.45Å; W942-L945 HydrophobicContact CD2-CD1 4.39Å; W942-L945 HydrophobicContact CE3-CD1 3.7Å; W942-L945 HydrophobicContact CZ3-CD1 4.03Å; L945-E949 VanDerWaalsContact CA-OE2 3.29Å; L945-E949 WeakPolarHBondContact CA-OE2 3.47Å; L945-E949 HydrophobicContact CB-CB 3.97Å; L945-E949 HydrophobicContact CD2-CB 4.11Å; L945-E949 HydrophobicContact CG-CB 4.49Å; L945-K950 HydrophobicContact CB-CG 3.96Å; L945-K950 WeakPolarHBondContact O-CE 3.18Å; L945-K950 PolarHBondContact O-NZ 3.09Å; L945-Y953 HydrophobicContact CD1-CD2 3.77Å; L945-Y953 HydrophobicContact CD1-CE2 3.6Å; L945-Y953 HydrophobicContact CD2-CE2 4.38Å
946S85Confident77.8Confident45 Ų4588.7 Ų88.732%0.31542%0.418SS..  trans-64.1164.4169.896.30000111E948 E949 K950S946-E948 VanDerWaalsContact C-N 3.27Å; S946-E948 WeakPolarHBondContact CB-OE2 3.43Å; S946-E948 PolarHBondContact O-N 2.66Å; S946-E948 PolarHBondContact OG-N 3.44Å; S946-E948 PolarHBondContact OG-OE2 2.6Å; S946-E949 PolarHBondContact N-OE2 3.49Å; S946-E949 PolarHBondContact O-N 3.38Å; S946-E949 VanDerWaalsContact O-N 3.16Å; S946-E949 PolarHBondContact OG-N 2.84Å; S946-K950 WeakPolarHBondContact O-CG 3Å; S946-K950 PolarHBondContact O-N 3.13Å
947D80.2Confident76.8Confident117 Ų11783.3 Ų83.363%0.62640%0.4SS*.Hα-helixtrans-68.8-28.4178.3-67.9-24.5000111.8K950 K951D947-K950 IonicContact OD1-NZ 2.72Å; D947-K950 PolarHBondContact OD1-NZ 2.87Å; D947-K951 VanDerWaalsContact O-CB 3.23Å; D947-K951 WeakPolarHBondContact O-CB 3.35Å; D947-K951 PolarHBondContact O-N 3.23Å
948E81.3Confident75.8Confident129 Ų12986.2 Ų86.260%0.60341%0.413SS*.Hα-helixtrans-63.9-41.1167.8-59.171.2-15600112.2S946 K951 R952S946-E948 VanDerWaalsContact C-N 3.27Å; S946-E948 WeakPolarHBondContact CB-OE2 3.43Å; S946-E948 PolarHBondContact O-N 2.66Å; S946-E948 PolarHBondContact OG-N 3.44Å; S946-E948 PolarHBondContact OG-OE2 2.6Å; E948-K951 PolarHBondContact O-N 3.06Å; E948-R952 WeakPolarHBondContact O-CG 3.25Å; E948-R952 PolarHBondContact O-N 3.07Å; E948-R952 VanDerWaalsContact O-N 3.12Å
949E79.3Confident75.6Confident92 Ų9291.9 Ų91.943%0.4343%0.433SS..Hα-helixtrans-68.9-43.6177-68.4-176.4116.600111.8L945 S946 K951 R952 Y953L945-E949 VanDerWaalsContact CA-OE2 3.29Å; L945-E949 WeakPolarHBondContact CA-OE2 3.47Å; L945-E949 HydrophobicContact CB-CB 3.97Å; L945-E949 HydrophobicContact CD2-CB 4.11Å; L945-E949 HydrophobicContact CG-CB 4.49Å; S946-E949 PolarHBondContact N-OE2 3.49Å; S946-E949 PolarHBondContact O-N 3.38Å; S946-E949 VanDerWaalsContact O-N 3.16Å; S946-E949 PolarHBondContact OG-N 2.84Å; E949-K951 VanDerWaalsContact C-N 3.3Å; E949-K951 PolarHBondContact O-N 3.32Å; E949-R952 PolarHBondContact O-N 2.95Å; E949-Y953 VanDerWaalsContact O-CD2 3.24Å; E949-Y953 WeakPolarHBondContact O-CD2 3.41Å; E949-Y953 PolarHBondContact O-N 2.99Å
950K76.3Confident74.9Confident38 Ų3893.7 Ų93.717%0.16543%0.434CS..Hα-helixtrans-57.2-45.8172.8-68-175.7-160.883.40110.6W942 L945 S946 D947 R952 Y953 E954W942-K950 HydrophobicContact CH2-CB 3.99Å; W942-K950 HydrophobicContact CH2-CG 4.15Å; W942-K950 HydrophobicContact CZ2-CB 3.91Å; W942-K950 HydrophobicContact CZ2-CD 4.09Å; W942-K950 HydrophobicContact CZ2-CG 3.82Å; W942-K950 WeakPolarHBondContact O-CE 3.37Å; L945-K950 HydrophobicContact CB-CG 3.96Å; L945-K950 WeakPolarHBondContact O-CE 3.18Å; L945-K950 PolarHBondContact O-NZ 3.09Å; S946-K950 WeakPolarHBondContact O-CG 3Å; S946-K950 PolarHBondContact O-N 3.13Å; D947-K950 IonicContact OD1-NZ 2.72Å; D947-K950 PolarHBondContact OD1-NZ 2.87Å; K950-R952 VanDerWaalsContact C-N 3.34Å; K950-R952 PolarHBondContact O-N 3.06Å; K950-Y953 WeakPolarHBondContact O-CB 3.3Å; K950-Y953 PolarHBondContact O-N 2.88Å; K950-E954 WeakPolarHBondContact O-CG 3.29Å; K950-E954 PolarHBondContact O-N 3.44Å
951K76.8Confident73.7Confident119 Ų11992.4 Ų92.452%0.51743%0.428SS..Hα-helixtrans-58.2-41.2178.2-174.7176.2177.6-177.70112.6D947 E948 E949 Y953 E954 E955D947-K951 VanDerWaalsContact O-CB 3.23Å; D947-K951 WeakPolarHBondContact O-CB 3.35Å; D947-K951 PolarHBondContact O-N 3.23Å; E948-K951 PolarHBondContact O-N 3.06Å; E949-K951 VanDerWaalsContact C-N 3.3Å; E949-K951 PolarHBondContact O-N 3.32Å; K951-Y953 VanDerWaalsContact C-N 3.31Å; K951-Y953 PolarHBondContact O-N 3.05Å; K951-E954 PolarHBondContact O-N 3.2Å; K951-E954 VanDerWaalsContact O-N 3.12Å; K951-E955 WeakPolarHBondContact CE-OE1 3.24Å; K951-E955 HydrophobicContact CG-CG 4.43Å; K951-E955 WeakPolarHBondContact O-CG 3.47Å; K951-E955 PolarHBondContact O-N 3.39Å
952R75.4Confident73.1Confident189 Ų18992.8 Ų92.871%0.71343%0.432SS*.Hα-helixtrans-59.9-38.5173.7-70.6178.6-176.4-164.82.2112.8E948 E949 K950 E956E948-R952 WeakPolarHBondContact O-CG 3.25Å; E948-R952 PolarHBondContact O-N 3.07Å; E948-R952 VanDerWaalsContact O-N 3.12Å; E949-R952 PolarHBondContact O-N 2.95Å; K950-R952 VanDerWaalsContact C-N 3.34Å; K950-R952 PolarHBondContact O-N 3.06Å; R952-E956 WeakPolarHBondContact O-CB 3.45Å; R952-E956 PolarHBondContact O-N 2.8Å; R952-E956 VanDerWaalsContact O-N 3.11Å
953Y66.4Low72.6Confident83 Ų8396.2 Ų96.233%0.32545%0.449SS..Hα-helixtrans-71.5-31.2175.1-75.6-70.6000112.9V918 W942 L945 E949 K950 K951 A957V918-Y953 HydrophobicContact CG2-CE1 4.38Å; W942-Y953 AromaticContact CZ3-CD2 3.89Å; W942-Y953 HydrophobicContact CZ3-CD2 3.89Å; W942-Y953 AromaticContact CZ3-CG 3.95Å; W942-Y953 HydrophobicContact CZ3-CG 3.95Å; L945-Y953 HydrophobicContact CD1-CD2 3.77Å; L945-Y953 HydrophobicContact CD1-CE2 3.6Å; L945-Y953 HydrophobicContact CD2-CE2 4.38Å; E949-Y953 VanDerWaalsContact O-CD2 3.24Å; E949-Y953 WeakPolarHBondContact O-CD2 3.41Å; E949-Y953 PolarHBondContact O-N 2.99Å; K950-Y953 WeakPolarHBondContact O-CB 3.3Å; K950-Y953 PolarHBondContact O-N 2.88Å; K951-Y953 VanDerWaalsContact C-N 3.31Å; K951-Y953 PolarHBondContact O-N 3.05Å; Y953-A957 VanDerWaalsContact O-CB 3.26Å; Y953-A957 WeakPolarHBondContact O-CB 3.24Å; Y953-A957 PolarHBondContact O-N 2.77Å
954E68.4Low71.4Confident115 Ų11593.5 Ų93.554%0.53744%0.435SS..Hα-helixtrans-72-44.3175.8-70.2172.2171.100111.6K950 K951 E956 A957 Q958K950-E954 WeakPolarHBondContact O-CG 3.29Å; K950-E954 PolarHBondContact O-N 3.44Å; K951-E954 PolarHBondContact O-N 3.2Å; K951-E954 VanDerWaalsContact O-N 3.12Å; E954-E956 PolarHBondContact O-N 2.94Å; E954-A957 PolarHBondContact O-N 2.91Å; E954-Q958 PolarHBondContact O-N 3.14Å
955E74.6Confident70.2Confident110 Ų11089 Ų8951%0.51442%0.424SS..Hα-helixtrans-59.7-44.7173.3-72.8172.2178.500111.7K951 Q958 R959K951-E955 WeakPolarHBondContact CE-OE1 3.24Å; K951-E955 HydrophobicContact CG-CG 4.43Å; K951-E955 WeakPolarHBondContact O-CG 3.47Å; K951-E955 PolarHBondContact O-N 3.39Å; E955-Q958 PolarHBondContact O-N 2.66Å; E955-R959 WeakPolarHBondContact O-CB 3.44Å; E955-R959 PolarHBondContact O-N 3.44Å
956E67.7Low69.5Low73 Ų7394.9 Ų94.934%0.34145%0.448SS..Hα-helixtrans-67.3-36.9176.2-179.760.5-173.300112.4R952 E954 R959 I960R952-E956 WeakPolarHBondContact O-CB 3.45Å; R952-E956 PolarHBondContact O-N 2.8Å; R952-E956 VanDerWaalsContact O-N 3.11Å; E954-E956 PolarHBondContact O-N 2.94Å; E956-R959 PolarHBondContact O-N 2.86Å; E956-R959 IonicContact OE1-CZ 2.65Å; E956-R959 IonicContact OE1-NE 2.66Å; E956-R959 IonicContact OE1-NH2 2.85Å; E956-R959 PolarHBondContact OE1-NH2 2.57Å; E956-R959 IonicContact OE2-CZ 3.53Å; E956-R959 IonicContact OE2-NE 3.47Å; E956-R959 PolarHBondContact OE2-NE 2.67Å; E956-R959 IonicContact OE2-NH2 2.68Å; E956-R959 PolarHBondContact OE2-NH2 2.92Å; E956-I960 HydrophobicContact CG-CD1 4.19Å; E956-I960 WeakPolarHBondContact O-CG1 3.48Å; E956-I960 PolarHBondContact O-N 3.12Å
957A58.1Low67.9Low29 Ų2995.3 Ų95.324%0.2445%0.454CS..Hα-helixtrans-65-40.9174.500000111.8F912 Y953 E954 I960 A961F912-A957 HydrophobicContact CD1-CB 4.3Å; F912-A957 HydrophobicContact CE1-CB 4.02Å; Y953-A957 VanDerWaalsContact O-CB 3.26Å; Y953-A957 WeakPolarHBondContact O-CB 3.24Å; Y953-A957 PolarHBondContact O-N 2.77Å; E954-A957 PolarHBondContact O-N 2.91Å; A957-I960 PolarHBondContact O-N 2.89Å; A957-A961 WeakPolarHBondContact O-CB 3.31Å; A957-A961 PolarHBondContact O-N 2.79Å
958Q65Low66.2Low108 Ų10895 Ų9551%0.50545%0.452SS..Hα-helixtrans-63.2-44.9173.6-17261.344.300110.9E954 E955 I960 A961 D962E954-Q958 PolarHBondContact O-N 3.14Å; E955-Q958 PolarHBondContact O-N 2.66Å; Q958-I960 VanDerWaalsContact C-N 3.31Å; Q958-I960 PolarHBondContact O-N 3Å; Q958-A961 CarbonylContact O-C 3.58Å; Q958-A961 WeakPolarHBondContact O-CA 2.79Å; Q958-A961 WeakPolarHBondContact O-CB 3.43Å; Q958-A961 PolarHBondContact O-N 3.38Å; Q958-D962 PolarHBondContact NE2-OD1 2.95Å; Q958-D962 VanDerWaalsContact O-CG 3.29Å; Q958-D962 PolarHBondContact O-N 3.22Å
959R73.2Confident64.5Low131 Ų13196.1 Ų96.149%0.49446%0.46SS..Hα-helixtrans-59.6-39.5178-164.2178.370.6113.76.5112.7E955 E956 Q963E955-R959 WeakPolarHBondContact O-CB 3.44Å; E955-R959 PolarHBondContact O-N 3.44Å; E956-R959 PolarHBondContact O-N 2.86Å; E956-R959 IonicContact OE1-CZ 2.65Å; E956-R959 IonicContact OE1-NE 2.66Å; E956-R959 IonicContact OE1-NH2 2.85Å; E956-R959 PolarHBondContact OE1-NH2 2.57Å; E956-R959 IonicContact OE2-CZ 3.53Å; E956-R959 IonicContact OE2-NE 3.47Å; E956-R959 PolarHBondContact OE2-NE 2.67Å; E956-R959 IonicContact OE2-NH2 2.68Å; E956-R959 PolarHBondContact OE2-NH2 2.92Å; R959-Q963 WeakPolarHBondContact O-CB 3.27Å; R959-Q963 VanDerWaalsContact O-CG 3.32Å; R959-Q963 WeakPolarHBondContact O-CG 3.44Å; R959-Q963 PolarHBondContact O-N 3.09Å
960I60Low62.8Low69 Ų6994.9 Ų94.935%0.35447%0.465SS..Hα-helixtrans-70.6-37.2174.1-67.4168.4000111.4E956 A957 Q958 Q963 R964E956-I960 HydrophobicContact CG-CD1 4.19Å; E956-I960 WeakPolarHBondContact O-CG1 3.48Å; E956-I960 PolarHBondContact O-N 3.12Å; A957-I960 PolarHBondContact O-N 2.89Å; Q958-I960 VanDerWaalsContact C-N 3.31Å; Q958-I960 PolarHBondContact O-N 3Å; I960-Q963 PolarHBondContact O-N 2.73Å; I960-R964 PolarHBondContact O-N 3.04Å
961A57Low61.1Low33 Ų3395.5 Ų95.527%0.27348%0.478SS..Hα-helixtrans-64.4-44.217500000111.6F912 A957 Q958 Q963 R964 A965F912-A961 HydrophobicContact CZ-CB 4.46Å; A957-A961 WeakPolarHBondContact O-CB 3.31Å; A957-A961 PolarHBondContact O-N 2.79Å; Q958-A961 CarbonylContact O-C 3.58Å; Q958-A961 WeakPolarHBondContact O-CA 2.79Å; Q958-A961 WeakPolarHBondContact O-CB 3.43Å; Q958-A961 PolarHBondContact O-N 3.38Å; A961-Q963 PolarHBondContact O-N 2.71Å; A961-R964 PolarHBondContact O-N 3.26Å; A961-A965 WeakPolarHBondContact O-CB 3.29Å; A961-A965 PolarHBondContact O-N 3.47Å
962D68Low59.3Low75 Ų7591.9 Ų91.940%0.40147%0.474SS..Hα-helixtrans-65-38.8176.4-66.4-12.2000111.9Q958 A965 K966Q958-D962 PolarHBondContact NE2-OD1 2.95Å; Q958-D962 VanDerWaalsContact O-CG 3.29Å; Q958-D962 PolarHBondContact O-N 3.22Å; D962-A965 PolarHBondContact O-N 3.05Å; D962-K966 WeakPolarHBondContact O-CB 3.34Å; D962-K966 WeakPolarHBondContact O-CG 3.12Å; D962-K966 PolarHBondContact O-N 2.78Å
963Q67.5Low57.4Low112 Ų11286.3 Ų86.352%0.52346%0.464SS..Hα-helixtrans-66.1-40.8173.2-77-179.5900112.1R959 I960 A961 A967R959-Q963 WeakPolarHBondContact O-CB 3.27Å; R959-Q963 VanDerWaalsContact O-CG 3.32Å; R959-Q963 WeakPolarHBondContact O-CG 3.44Å; R959-Q963 PolarHBondContact O-N 3.09Å; I960-Q963 PolarHBondContact O-N 2.73Å; A961-Q963 PolarHBondContact O-N 2.71Å; Q963-A967 VanDerWaalsContact O-CB 3.25Å; Q963-A967 WeakPolarHBondContact O-CB 3.48Å; Q963-A967 PolarHBondContact O-N 2.93Å
964R56.4Low56.3Low122 Ų12292.9 Ų92.946%0.4649%0.488SS..Hα-helixtrans-64-45.8171.8-84.5-176.7170.9169.5-3.1111.1T909 Y910 I960 A961 K966 A967 D968T909-R964 PolarHBondContact O-NH2 2.87Å; Y910-R964 PolarHBondContact O-NH1 3.02Å; I960-R964 PolarHBondContact O-N 3.04Å; A961-R964 PolarHBondContact O-N 3.26Å; R964-K966 PolarHBondContact O-N 3.27Å; R964-A967 CarbonylContact O-C 3.53Å; R964-A967 PolarHBondContact O-N 2.85Å; R964-A967 VanDerWaalsContact O-N 3.11Å; R964-D968 VanDerWaalsContact O-CB 3.3Å; R964-D968 WeakPolarHBondContact O-CB 2.94Å; R964-D968 VanDerWaalsContact O-CG 3.22Å; R964-D968 PolarHBondContact O-N 2.86Å
965A57Low55.3Low48 Ų4891.1 Ų91.140%0.39748%0.482SS..Hα-helixtrans-59.8-42.817700000112.3A961 D962 D968 M969A961-A965 WeakPolarHBondContact O-CB 3.29Å; A961-A965 PolarHBondContact O-N 3.47Å; D962-A965 PolarHBondContact O-N 3.05Å; A965-D968 PolarHBondContact O-N 3.5Å; A965-M969 WeakPolarHBondContact O-CB 3.22Å; A965-M969 VanDerWaalsContact O-CG 3.31Å; A965-M969 WeakPolarHBondContact O-CG 3.33Å; A965-M969 PolarHBondContact O-N 2.81Å
966K66.3Low53.9Low155 Ų15593.6 Ų93.667%0.67449%0.493SS*.Hα-helixtrans-65.2-40.3173-75.8173.7179174.50112.4D962 R964 A970D962-K966 WeakPolarHBondContact O-CB 3.34Å; D962-K966 WeakPolarHBondContact O-CG 3.12Å; D962-K966 PolarHBondContact O-N 2.78Å; R964-K966 PolarHBondContact O-N 3.27Å; K966-A970 VanDerWaalsContact O-CB 3.25Å; K966-A970 WeakPolarHBondContact O-CB 3.49Å; K966-A970 PolarHBondContact O-N 3.29Å
967A50.4Low52.7Low54 Ų5493.8 Ų93.845%0.44650%0.496SS..Hα-helixtrans-68.8-36.3176.400000112.5Q963 R964 A970 A971Q963-A967 VanDerWaalsContact O-CB 3.25Å; Q963-A967 WeakPolarHBondContact O-CB 3.48Å; Q963-A967 PolarHBondContact O-N 2.93Å; R964-A967 CarbonylContact O-C 3.53Å; R964-A967 PolarHBondContact O-N 2.85Å; R964-A967 VanDerWaalsContact O-N 3.11Å; A967-A970 PolarHBondContact O-N 3.24Å; A967-A971 WeakPolarHBondContact O-CB 3.28Å; A967-A971 PolarHBondContact O-N 3.12Å
968D45.5Very low52Low110 Ų11095.6 Ų95.659%0.58850%0.502SS*.Hα-helixtrans-75.5-35177.9-70-25.3000111.2R964 A965 G972R964-D968 VanDerWaalsContact O-CB 3.3Å; R964-D968 WeakPolarHBondContact O-CB 2.94Å; R964-D968 VanDerWaalsContact O-CG 3.22Å; R964-D968 PolarHBondContact O-N 2.86Å; A965-D968 PolarHBondContact O-N 3.5Å; D968-G972 WeakPolarHBondContact O-CA 3.45Å; D968-G972 PolarHBondContact O-N 2.67Å
969M46Very low50.8Low154 Ų15496.5 Ų96.576%0.75952%0.517SS*.Hα-helixtrans-64.4-45.2166.9-76.3-177176.400111.5A965 A971 G972 S973A965-M969 WeakPolarHBondContact O-CB 3.22Å; A965-M969 VanDerWaalsContact O-CG 3.31Å; A965-M969 WeakPolarHBondContact O-CG 3.33Å; A965-M969 PolarHBondContact O-N 2.81Å; M969-A971 VanDerWaalsContact C-N 3.35Å; M969-A971 PolarHBondContact O-N 3.24Å; M969-G972 PolarHBondContact O-N 3.1Å; M969-S973 PolarHBondContact O-N 3.32Å
970A43.9Very low49.3Very low66 Ų6692.3 Ų92.355%0.54552%0.515SS..Hα-helixtrans-65-36.6176.600000112.4K966 A967 S973K966-A970 VanDerWaalsContact O-CB 3.25Å; K966-A970 WeakPolarHBondContact O-CB 3.49Å; K966-A970 PolarHBondContact O-N 3.29Å; A967-A970 PolarHBondContact O-N 3.24Å; A970-S973 PolarHBondContact O-OG 3.33Å
971A38.6Very low49Very low51 Ų5190.7 Ų90.742%0.42151%0.505SS..Hα-helixtrans-75.7-31.5174.700000112.6A967 M969 S973 R974A967-A971 WeakPolarHBondContact O-CB 3.28Å; A967-A971 PolarHBondContact O-N 3.12Å; M969-A971 VanDerWaalsContact C-N 3.35Å; M969-A971 PolarHBondContact O-N 3.24Å; A971-S973 PolarHBondContact O-N 3.42Å; A971-R974 VanDerWaalsContact O-CB 3.28Å; A971-R974 WeakPolarHBondContact O-CB 3.48Å; A971-R974 PolarHBondContact O-N 3.1Å
972G40.1Very low48.9Very low42 Ų4290.8 Ų90.843%0.43350%0.503SS..Hα-helixtrans-61.7-24176.600000113.5D968 M969 R974 L975D968-G972 WeakPolarHBondContact O-CA 3.45Å; D968-G972 PolarHBondContact O-N 2.67Å; M969-G972 PolarHBondContact O-N 3.1Å; G972-R974 PolarHBondContact O-N 2.87Å; G972-L975 PolarHBondContact O-N 3.12Å; G972-L975 VanDerWaalsContact O-N 3.16Å
973S34.5Very low49Very low72 Ų7291.9 Ų91.950%0.50350%0.501SS..G310 helixtrans-59.4-24.5168.973.30000113.5M969 A970 A971 L975 Q976M969-S973 PolarHBondContact O-N 3.32Å; A970-S973 PolarHBondContact O-OG 3.33Å; A971-S973 PolarHBondContact O-N 3.42Å; S973-L975 PolarHBondContact O-N 2.76Å; S973-Q976 PolarHBondContact O-N 2.94Å
974R43.2Very low49.2Very low221 Ų22187.2 Ų87.283%0.83448%0.48SS*.G310 helixtrans-761.9176.8-63.4-174.2171.7173.8-0114.7A971 G972A971-R974 VanDerWaalsContact O-CB 3.28Å; A971-R974 WeakPolarHBondContact O-CB 3.48Å; A971-R974 PolarHBondContact O-N 3.1Å; G972-R974 PolarHBondContact O-N 2.87Å
975L47.8Very low50.5Low79 Ų7983.6 Ų83.641%0.41447%0.467SS..G310 helixtrans-112.828.7169-80.1163000111.5G972 S973 L977 R983 C1062G972-L975 PolarHBondContact O-N 3.12Å; G972-L975 VanDerWaalsContact O-N 3.16Å; S973-L975 PolarHBondContact O-N 2.76Å; L975-L977 PolarHBondContact O-N 2.88Å; L975-R983 PolarHBondContact O-NH2 3.1Å; L975-C1062 VanDerWaalsContact CD2-SG 3.57Å
976Q44.7Very low51.6Low161 Ų16182 Ų8275%0.75245%0.452SS*.PPolyproline II helixtrans-52.6122.1156-84.3-174.8-1800108.3S973 L978S973-Q976 PolarHBondContact O-N 2.94Å; Q976-L978 PolarHBondContact O-N 2.84Å
977L44.3Very low52.6Low77 Ų7774.6 Ų74.640%0.40342%0.421SS..PPolyproline II helixtrans-64.2123.6172.8-74.9168.8000107.8L975 Q981 R983 C1062L975-L977 PolarHBondContact O-N 2.88Å; L977-Q981 HydrophobicContact CB-CB 4.31Å; L977-Q981 HydrophobicContact CD2-CB 3.59Å; L977-R983 HydrophobicContact CD1-CG 4.23Å; L977-R983 HydrophobicContact CD2-CG 3.8Å; L977-R983 HydrophobicContact CG-CG 4.21Å; L977-C1062 HydrophobicContact CD2-CB 4.29Å
978L43Very low54.1Low68 Ų6874.6 Ų74.636%0.35641%0.409SS..PPolyproline II helixtrans-65.6151.8167.5-64.6171.7000108.7L869 Q976 G980 Q981 Y1064L869-L978 HydrophobicContact CD1-CD2 4.25Å; Q976-L978 PolarHBondContact O-N 2.84Å; L978-G980 PolarHBondContact O-N 3.05Å; L978-Q981 HydrophobicContact CB-CG 4.08Å; L978-Q981 VanDerWaalsContact N-OE1 3.15Å; L978-Q981 WeakPolarHBondContact O-CB 3.4Å; L978-Q981 PolarHBondContact O-N 3.25Å; L978-Y1064 HydrophobicContact CB-CE1 4.41Å; L978-Y1064 VanDerWaalsContact CD1-OH 3.29Å; L978-Y1064 WeakPolarHBondContact CD1-OH 3.27Å
979P39.8Very low55.9Low127 Ų12769.9 Ų69.983%0.82538%0.383SS*.THydrogen-bonded Turntrans-49.6128.2175.2-28.536000111.2
980G42Very low57.2Low43 Ų4367.1 Ų67.144%0.44336%0.364SS..THydrogen-bonded Turntrans79.510.6-174.300000115.7L978 Y1064 N1065L978-G980 PolarHBondContact O-N 3.05Å; G980-Y1064 CarbonylContact O-C 3.46Å; G980-Y1064 WeakPolarHBondContact O-CA 3.31Å; G980-N1065 WeakPolarHBondContact O-CB 3.49Å; G980-N1065 PolarHBondContact O-N 3.18Å
981Q51.9Low58.4Low34 Ų3469.6 Ų69.616%0.15936%0.364CS..EExtended strand (participates in β ladder)trans-96.7148168-68.6-174.1-23.200113.1L977 L978 I1063 Y1064L977-Q981 HydrophobicContact CB-CB 4.31Å; L977-Q981 HydrophobicContact CD2-CB 3.59Å; L978-Q981 HydrophobicContact CB-CG 4.08Å; L978-Q981 VanDerWaalsContact N-OE1 3.15Å; L978-Q981 WeakPolarHBondContact O-CB 3.4Å; L978-Q981 PolarHBondContact O-N 3.25Å; Q981-I1063 CarbonylContact C-O 3.47Å; Q981-I1063 WeakPolarHBondContact CA-O 3.3Å; Q981-I1063 WeakPolarHBondContact CB-O 3.27Å; Q981-Y1064 HydrophobicContact CG-CD1 3.45Å; Q981-Y1064 VanDerWaalsContact CG-CD1 3.45Å; Q981-Y1064 HydrophobicContact CG-CD2 4.26Å; Q981-Y1064 HydrophobicContact CG-CE1 3.46Å; Q981-Y1064 VanDerWaalsContact CG-CE1 3.46Å; Q981-Y1064 HydrophobicContact CG-CE2 4.28Å; Q981-Y1064 HydrophobicContact CG-CG 3.88Å; Q981-Y1064 VanDerWaalsContact NE2-CE2 3.29Å; Q981-Y1064 PolarHBondContact NE2-OH 2.94Å
982T54.9Low60.2Low35 Ų3567.4 Ų67.422%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-123145.3169.8-62.70000110.2V984 C1062 I1063 N1065T982-V984 HydrophobicContact CG2-CG2 4.47Å; T982-C1062 WeakPolarHBondContact O-CA 3.13Å; T982-I1063 PolarHBondContact N-O 2.91Å; T982-I1063 PolarHBondContact O-N 3.09Å; T982-N1065 WeakPolarHBondContact CB-OD1 3.43Å; T982-N1065 VanDerWaalsContact OG1-CG 3.3Å; T982-N1065 PolarHBondContact OG1-ND2 2.89Å; T982-N1065 PolarHBondContact OG1-OD1 3.35Å
983R71.8Confident61.5Low99 Ų9966.2 Ų66.237%0.37433%0.33SS..EExtended strand (participates in β ladder)trans-84.3135.9171.3-68.2-172.2-176.7157.7-0.8110.1L975 L977 V1060 K1061L975-R983 PolarHBondContact O-NH2 3.1Å; L977-R983 HydrophobicContact CD1-CG 4.23Å; L977-R983 HydrophobicContact CD2-CG 3.8Å; L977-R983 HydrophobicContact CG-CG 4.21Å; R983-V1060 HydrophobicContact CB-CG2 4.43Å; R983-K1061 WeakPolarHBondContact CA-O 3.17Å
984V70.4Confident63.3Low14 Ų1466.7 Ų66.79%0.08532%0.321CS..EExtended strand (participates in β ladder)trans-134.9134.4178.2179.20000110.3T982 Q995 F996 V1060 K1061 I1063T982-V984 HydrophobicContact CG2-CG2 4.47Å; V984-Q995 HydrophobicContact CG1-CB 3.62Å; V984-Q995 HydrophobicContact CG1-CG 4.02Å; V984-F996 CarbonylContact C-O 3.45Å; V984-F996 WeakPolarHBondContact CA-O 3.42Å; V984-V1060 CarbonylContact O-C 3.57Å; V984-V1060 WeakPolarHBondContact O-CA 3.43Å; V984-K1061 PolarHBondContact N-O 3.43Å; V984-K1061 PolarHBondContact O-N 2.87Å; V984-I1063 HydrophobicContact CG2-CD1 3.65Å; V984-I1063 HydrophobicContact CG2-CG1 3.86Å
985Y83.6Confident64.9Low46 Ų4661.2 Ų61.218%0.1831%0.305CS..EExtended strand (participates in β ladder)trans-103.7107.9179.7-62.8-97000109.2F996 E997 A999 V1060Y985-F996 PolarHBondContact N-O 2.98Å; Y985-F996 PolarHBondContact O-N 2.94Å; Y985-E997 WeakPolarHBondContact CE2-O 3.46Å; Y985-A999 HydrophobicContact CD1-CB 3.93Å; Y985-A999 HydrophobicContact CE1-CB 3.72Å; Y985-V1060 HydrophobicContact CD1-CB 3.78Å; Y985-V1060 HydrophobicContact CD1-CG2 4.1Å; Y985-V1060 HydrophobicContact CE1-CB 3.64Å; Y985-V1060 HydrophobicContact CE1-CG2 3.71Å; Y985-V1060 HydrophobicContact CE2-CG2 4.29Å
986C81.4Confident66.5Low13 Ų1359 Ų599%0.08829%0.292CS..EExtended strand (participates in β ladder)trans-86.5123.1-176.7-50.60000111.6R988 S1059C986-R988 PolarHBondContact O-N 2.93Å; C986-S1059 PolarHBondContact N-O 2.77Å; C986-S1059 WeakPolarHBondContact O-CB 3.33Å
987C86.1Confident67.7Low1 Ų156.9 Ų56.91%0.00728%0.282CS..  trans-58.7128.1160.5-176.60000109.6C992 Y994 F996 L1002 H1010C987-C992 HydrophobicContact CB-CB 4.28Å; C987-C992 WeakPolarHBondContact CB-SG 3.48Å; C987-C992 WeakPolarHBondContact SG-CB 3.49Å; C987-C992 CovalentContact SG-SG 2.04Å; C987-C992 PolarHBondContact SG-SG 3.1Å; C987-Y994 WeakPolarHBondContact CB-O 3.37Å; C987-Y994 PolarHBondContact N-O 2.85Å; C987-F996 HydrophobicContact CB-CE2 4.34Å; C987-L1002 HydrophobicContact CB-CD1 3.74Å; C987-H1010 PolarHBondContact SG-NE2 2.82Å
988R82.3Confident69.4Low54 Ų5454.8 Ų54.820%0.20427%0.274CS..  trans-127.530.4170.1-41.7-172.9-167.4178.99.9111.9C986 W1028 L1029 S1058C986-R988 PolarHBondContact O-N 2.93Å; R988-W1028 HydrophobicContact CB-CD2 4.17Å; R988-W1028 HydrophobicContact CB-CZ2 3.82Å; R988-W1028 HydrophobicContact CG-CZ2 3.94Å; R988-W1028 CarbonylContact O-C 3.59Å; R988-W1028 WeakPolarHBondContact O-CA 3.35Å; R988-L1029 HydrophobicContact CB-CB 4.39Å; R988-L1029 HydrophobicContact CB-CD1 4.32Å; R988-L1029 WeakPolarHBondContact O-CB 3.35Å; R988-L1029 PolarHBondContact O-N 3.45Å; R988-S1058 PolarHBondContact NH2-O 3.42Å
989W83.6Confident71.3Confident11 Ų1152.9 Ų52.94%0.04227%0.267CS..BIsolated β-bridgetrans-59.2151.4162-157.1-100.8000109.4E991 C992 H1010 T1011 L1027 W1028 L1047 I1051W989-E991 PolarHBondContact O-N 3.49Å; W989-C992 HydrophobicContact CB-CB 3.7Å; W989-C992 WeakPolarHBondContact O-CB 3.13Å; W989-C992 PolarHBondContact O-N 2.85Å; W989-H1010 WeakPolarHBondContact CB-CD2 3.36Å; W989-H1010 WeakPolarHBondContact CB-NE2 3.46Å; W989-H1010 AromaticContact CD1-CD2 3.66Å; W989-H1010 AromaticContact CD1-CG 3.47Å; W989-H1010 VanDerWaalsContact CD1-CG 3.47Å; W989-H1010 AromaticContact CD1-ND1 3.71Å; W989-H1010 AromaticContact CD1-NE2 3.98Å; W989-H1010 HydrophobicContact CD2-CB 3.94Å; W989-H1010 AromaticContact CD2-CD2 3.82Å; W989-H1010 AromaticContact CD2-CG 3.96Å; W989-H1010 HydrophobicContact CG-CB 4.09Å; W989-H1010 AromaticContact CG-CD2 3.33Å; W989-H1010 AromaticContact CG-CG 3.6Å; W989-H1010 AromaticContact CG-NE2 3.76Å; W989-H1010 HydrophobicContact CZ2-CB 4.19Å; W989-H1010 AromaticContact NE1-CG 3.75Å; W989-T1011 HydrophobicContact CH2-CG2 4.35Å; W989-L1027 HydrophobicContact CD2-CB 4.12Å; W989-L1027 HydrophobicContact CG-CB 4.46Å; W989-L1027 HydrophobicContact CZ2-CB 3.87Å; W989-L1027 HydrophobicContact CZ2-CD1 4.23Å; W989-L1027 HydrophobicContact CZ2-CG 3.92Å; W989-W1028 HydrophobicContact CE3-CE3 4.2Å; W989-L1047 HydrophobicContact CH2-CD1 4.4Å; W989-L1047 HydrophobicContact CH2-CD2 4.39Å; W989-I1051 HydrophobicContact CH2-CD1 4.01Å; W989-I1051 HydrophobicContact CZ3-CD1 3.53Å; W989-I1051 HydrophobicContact CZ3-CG1 4.04Å
990R73.8Confident73.5Confident95 Ų9551.9 Ų51.936%0.35826%0.255SS..THydrogen-bonded Turntrans-53.3136.3172.3172.3-176.5-108.6-106.19.9108.9C992 L1027 Y1034R990-C992 PolarHBondContact O-N 2.68Å; R990-L1027 HydrophobicContact CB-CB 3.91Å; R990-L1027 WeakPolarHBondContact CB-O 3.27Å; R990-L1027 PolarHBondContact N-O 2.88Å; R990-Y1034 VanDerWaalsContact CZ-OH 3.31Å; R990-Y1034 PolarHBondContact NE-OH 2.77Å; R990-Y1034 PolarHBondContact NH2-OH 2.94Å
991E68.3Low75.5Confident119 Ų11953.5 Ų53.556%0.55625%0.251SS*.THydrogen-bonded Turntrans60.510-179.4-67.2139.8-134.600114.4R781 W989R781-E991 IonicContact CZ-OE2 2.85Å; R781-E991 IonicContact NH2-OE1 3.86Å; R781-E991 PolarHBondContact NH2-OE1 2.85Å; R781-E991 IonicContact NH2-OE2 3.25Å; R781-E991 PolarHBondContact NH2-OE2 2.78Å; W989-E991 PolarHBondContact O-N 3.49Å
992C76Confident77.3Confident4 Ų451.9 Ų51.93%0.02724%0.244CC..  trans-106.5142.6173.5-176.30000112.8C987 W989 R990 H1005 H1010C987-C992 HydrophobicContact CB-CB 4.28Å; C987-C992 WeakPolarHBondContact CB-SG 3.48Å; C987-C992 WeakPolarHBondContact SG-CB 3.49Å; C987-C992 CovalentContact SG-SG 2.04Å; C987-C992 PolarHBondContact SG-SG 3.1Å; W989-C992 HydrophobicContact CB-CB 3.7Å; W989-C992 WeakPolarHBondContact O-CB 3.13Å; W989-C992 PolarHBondContact O-N 2.85Å; R990-C992 PolarHBondContact O-N 2.68Å; C992-H1005 PolarHBondContact SG-NE2 2.89Å; C992-H1010 WeakPolarHBondContact CB-NE2 3.27Å; C992-H1010 PolarHBondContact SG-NE2 3.44Å
993D67.3Low79Confident18 Ų1851.9 Ų51.910%0.09624%0.242CC..  trans-135.10.5179.4527.4000115.4R513 R514R513-D993 WeakPolarHBondContact CB-OD2 3.22Å; R513-D993 VanDerWaalsContact CD-OD1 3.22Å; R513-D993 WeakPolarHBondContact CD-OD1 3.25Å; R513-D993 PolarHBondContact N-OD2 2.8Å; R514-D993 HydrophobicContact CB-CB 4.14Å; R514-D993 HydrophobicContact CG-CB 3.91Å; R514-D993 PolarHBondContact N-OD2 3.45Å
994Y73.4Confident79.8Confident82 Ų8251.8 Ų51.832%0.32225%0.25SC..  trans-60.3150.7-175-73.6-126.8000112.4R513 C987 F996 H1005R513-Y994 VanDerWaalsContact CZ-OH 3.22Å; R513-Y994 PolarHBondContact NH1-OH 3.07Å; R513-Y994 PolarHBondContact NH2-OH 3.24Å; R513-Y994 VanDerWaalsContact NH2-OH 3.16Å; C987-Y994 WeakPolarHBondContact CB-O 3.37Å; C987-Y994 PolarHBondContact N-O 2.85Å; Y994-F996 VanDerWaalsContact CB-CE2 3.48Å; Y994-F996 VanDerWaalsContact CB-CZ 3.46Å; Y994-F996 HydrophobicContact CD1-CE1 4.44Å; Y994-F996 AromaticContact CD1-CZ 3.82Å; Y994-F996 HydrophobicContact CD1-CZ 3.82Å; Y994-F996 HydrophobicContact CG-CZ 4.09Å; Y994-H1005 AromaticContact CD1-CE1 3.48Å; Y994-H1005 VanDerWaalsContact CD1-CE1 3.48Å; Y994-H1005 WeakPolarHBondContact CD1-CE1 3.41Å; Y994-H1005 AromaticContact CD1-ND1 3.8Å; Y994-H1005 AromaticContact CD2-CE1 3.63Å; Y994-H1005 AromaticContact CD2-NE2 3.74Å; Y994-H1005 AromaticContact CE1-CE1 3.6Å; Y994-H1005 AromaticContact CE1-ND1 3.94Å; Y994-H1005 AromaticContact CE2-CE1 3.75Å; Y994-H1005 AromaticContact CG-CE1 3.47Å; Y994-H1005 VanDerWaalsContact CG-CE1 3.47Å; Y994-H1005 AromaticContact CG-NE2 3.6Å; Y994-H1005 AromaticContact CZ-CE1 3.71Å
995Q76.6Confident80.7Confident105 Ų10551.8 Ų51.849%0.49125%0.249SC..EExtended strand (participates in β ladder)trans-129.6142.5-178.7-71.1-178.248.100109.2V984V984-Q995 HydrophobicContact CG1-CB 3.62Å; V984-Q995 HydrophobicContact CG1-CG 4.02Å
996F80.6Confident80.9Confident32 Ų3249.7 Ų49.714%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-135.7151.8-172.1-59.2-78.2000111.6V984 Y985 C987 Y994 Q1001 L1002 H1005V984-F996 CarbonylContact C-O 3.45Å; V984-F996 WeakPolarHBondContact CA-O 3.42Å; Y985-F996 PolarHBondContact N-O 2.98Å; Y985-F996 PolarHBondContact O-N 2.94Å; C987-F996 HydrophobicContact CB-CE2 4.34Å; Y994-F996 VanDerWaalsContact CB-CE2 3.48Å; Y994-F996 VanDerWaalsContact CB-CZ 3.46Å; Y994-F996 HydrophobicContact CD1-CE1 4.44Å; Y994-F996 AromaticContact CD1-CZ 3.82Å; Y994-F996 HydrophobicContact CD1-CZ 3.82Å; Y994-F996 HydrophobicContact CG-CZ 4.09Å; F996-Q1001 HydrophobicContact CB-CB 3.77Å; F996-Q1001 HydrophobicContact CD1-CB 3.75Å; F996-Q1001 HydrophobicContact CG-CB 4.02Å; F996-L1002 HydrophobicContact CB-CB 4.1Å; F996-L1002 HydrophobicContact CD2-CB 3.62Å; F996-L1002 HydrophobicContact CD2-CD1 3.67Å; F996-L1002 HydrophobicContact CD2-CG 4.21Å; F996-L1002 HydrophobicContact CE2-CB 4.41Å; F996-L1002 HydrophobicContact CE2-CD1 3.8Å; F996-L1002 HydrophobicContact CG-CB 4.04Å; F996-H1005 HydrophobicContact CE1-CB 3.81Å; F996-H1005 HydrophobicContact CE2-CB 3.7Å; F996-H1005 AromaticContact CE2-CD2 3.61Å; F996-H1005 AromaticContact CE2-CG 3.7Å; F996-H1005 HydrophobicContact CZ-CB 3.21Å; F996-H1005 AromaticContact CZ-CD2 3.57Å; F996-H1005 AromaticContact CZ-CG 3.21Å; F996-H1005 AromaticContact CZ-ND1 3.74Å
997E70.3Confident81.2Confident118 Ų11851.5 Ų51.555%0.55125%0.251SS*.SBendtrans-78.9-26-179.6-58.9178.6152.600111.9Y985Y985-E997 WeakPolarHBondContact CE2-O 3.46Å
998S79.7Confident81.2Confident33 Ų3355.1 Ų55.123%0.23128%0.276CS..SBendtrans-126.7159.6177.379.60000113D1000 Q1001 L1002S998-D1000 PolarHBondContact O-N 2.89Å; S998-D1000 PolarHBondContact OG-N 2.92Å; S998-Q1001 WeakPolarHBondContact OG-CG 3.39Å; S998-Q1001 PolarHBondContact OG-N 2.85Å; S998-L1002 PolarHBondContact O-N 2.87Å
999A83.5Confident81.3Confident27 Ų2754.7 Ų54.722%0.22328%0.284CS..Hα-helixtrans-64.2-29.8171.900000111.9Y985 L1002 N1003 L1056Y985-A999 HydrophobicContact CD1-CB 3.93Å; Y985-A999 HydrophobicContact CE1-CB 3.72Å; A999-L1002 PolarHBondContact O-N 2.88Å; A999-N1003 WeakPolarHBondContact O-CB 3.45Å; A999-N1003 PolarHBondContact O-N 2.97Å; A999-L1056 HydrophobicContact CB-CD2 4.48Å
1000D85.4Confident81.4Confident107 Ų10755.7 Ų55.757%0.57229%0.289SS*.Hα-helixtrans-72.8-46.9-178.5-50.1-51.4000110.9S998 L1002 N1003 D1004S998-D1000 PolarHBondContact O-N 2.89Å; S998-D1000 PolarHBondContact OG-N 2.92Å; D1000-L1002 PolarHBondContact O-N 2.9Å; D1000-N1003 CarbonylContact O-C 3.6Å; D1000-N1003 WeakPolarHBondContact O-CA 3.21Å; D1000-N1003 VanDerWaalsContact O-CB 3.3Å; D1000-N1003 WeakPolarHBondContact O-CB 3.49Å; D1000-N1003 PolarHBondContact O-N 3.15Å; D1000-D1004 VanDerWaalsContact O-CG 3.27Å; D1000-D1004 PolarHBondContact O-N 2.92Å
1001Q85.6Confident81.9Confident76 Ų7651.2 Ų51.236%0.35527%0.273SS..Hα-helixtrans-55.6-40.2172.2-75.8174.62.200112F996 S998 H1005F996-Q1001 HydrophobicContact CB-CB 3.77Å; F996-Q1001 HydrophobicContact CD1-CB 3.75Å; F996-Q1001 HydrophobicContact CG-CB 4.02Å; S998-Q1001 WeakPolarHBondContact OG-CG 3.39Å; S998-Q1001 PolarHBondContact OG-N 2.85Å; Q1001-H1005 WeakPolarHBondContact O-CB 3.36Å; Q1001-H1005 PolarHBondContact O-N 3.01Å
1002L88.8Confident82.4Confident0 Ų048.3 Ų48.30%027%0.265CS..Hα-helixtrans-65.9-40.5173.4171.560.1000111.8C987 F996 S998 A999 D1000 H1005 I1006 W1028 L1056 S1059C987-L1002 HydrophobicContact CB-CD1 3.74Å; F996-L1002 HydrophobicContact CB-CB 4.1Å; F996-L1002 HydrophobicContact CD2-CB 3.62Å; F996-L1002 HydrophobicContact CD2-CD1 3.67Å; F996-L1002 HydrophobicContact CD2-CG 4.21Å; F996-L1002 HydrophobicContact CE2-CB 4.41Å; F996-L1002 HydrophobicContact CE2-CD1 3.8Å; F996-L1002 HydrophobicContact CG-CB 4.04Å; S998-L1002 PolarHBondContact O-N 2.87Å; A999-L1002 PolarHBondContact O-N 2.88Å; D1000-L1002 PolarHBondContact O-N 2.9Å; L1002-H1005 PolarHBondContact O-N 3.16Å; L1002-I1006 HydrophobicContact CD1-CD1 3.81Å; L1002-I1006 HydrophobicContact CD1-CG1 4.11Å; L1002-I1006 HydrophobicContact CG-CD1 3.83Å; L1002-I1006 VanDerWaalsContact O-CD1 3.27Å; L1002-I1006 WeakPolarHBondContact O-CD1 3.41Å; L1002-I1006 WeakPolarHBondContact O-CG1 3.32Å; L1002-I1006 PolarHBondContact O-N 2.73Å; L1002-W1028 HydrophobicContact CD2-CH2 4.32Å; L1002-L1056 HydrophobicContact CD2-CD1 4.49Å; L1002-L1056 HydrophobicContact CD2-CG 4.41Å; L1002-S1059 VanDerWaalsContact CD2-OG 3.23Å; L1002-S1059 WeakPolarHBondContact CD2-OG 3.47Å
1003N90.7Very high81.9Confident35 Ų3554.4 Ų54.419%0.18729%0.293CS..Hα-helixtrans-63.4-42.5176.1-17077.6000111.8A999 D1000 I1006 T1007 L1056A999-N1003 WeakPolarHBondContact O-CB 3.45Å; A999-N1003 PolarHBondContact O-N 2.97Å; D1000-N1003 CarbonylContact O-C 3.6Å; D1000-N1003 WeakPolarHBondContact O-CA 3.21Å; D1000-N1003 VanDerWaalsContact O-CB 3.3Å; D1000-N1003 WeakPolarHBondContact O-CB 3.49Å; D1000-N1003 PolarHBondContact O-N 3.15Å; N1003-I1006 PolarHBondContact O-N 2.9Å; N1003-T1007 WeakPolarHBondContact O-CB 3.22Å; N1003-T1007 PolarHBondContact O-N 3.07Å; N1003-T1007 PolarHBondContact O-OG1 2.83Å; N1003-L1056 HydrophobicContact CB-CD2 4.15Å
1004D87.6Confident82Confident98 Ų9856.4 Ų56.452%0.52430%0.304SS..Hα-helixtrans-65.5-40.6177.5-64.6-18.1000111D1000 T1007 S1008D1000-D1004 VanDerWaalsContact O-CG 3.27Å; D1000-D1004 PolarHBondContact O-N 2.92Å; D1004-T1007 PolarHBondContact O-N 2.83Å; D1004-S1008 VanDerWaalsContact O-CB 3.27Å; D1004-S1008 WeakPolarHBondContact O-CB 3.46Å; D1004-S1008 PolarHBondContact O-N 2.85Å; D1004-S1008 PolarHBondContact O-OG 3.32Å
1005H90Very high81.1Confident14 Ų1455.7 Ų55.77%0.06532%0.321CS..Hα-helixtrans-63.1-46.6172.4175.270.9000112.7C992 Y994 F996 Q1001 L1002 T1007 S1008 A1009 H1010C992-H1005 PolarHBondContact SG-NE2 2.89Å; Y994-H1005 AromaticContact CD1-CE1 3.48Å; Y994-H1005 VanDerWaalsContact CD1-CE1 3.48Å; Y994-H1005 WeakPolarHBondContact CD1-CE1 3.41Å; Y994-H1005 AromaticContact CD1-ND1 3.8Å; Y994-H1005 AromaticContact CD2-CE1 3.63Å; Y994-H1005 AromaticContact CD2-NE2 3.74Å; Y994-H1005 AromaticContact CE1-CE1 3.6Å; Y994-H1005 AromaticContact CE1-ND1 3.94Å; Y994-H1005 AromaticContact CE2-CE1 3.75Å; Y994-H1005 AromaticContact CG-CE1 3.47Å; Y994-H1005 VanDerWaalsContact CG-CE1 3.47Å; Y994-H1005 AromaticContact CG-NE2 3.6Å; Y994-H1005 AromaticContact CZ-CE1 3.71Å; F996-H1005 HydrophobicContact CE1-CB 3.81Å; F996-H1005 HydrophobicContact CE2-CB 3.7Å; F996-H1005 AromaticContact CE2-CD2 3.61Å; F996-H1005 AromaticContact CE2-CG 3.7Å; F996-H1005 HydrophobicContact CZ-CB 3.21Å; F996-H1005 AromaticContact CZ-CD2 3.57Å; F996-H1005 AromaticContact CZ-CG 3.21Å; F996-H1005 AromaticContact CZ-ND1 3.74Å; Q1001-H1005 WeakPolarHBondContact O-CB 3.36Å; Q1001-H1005 PolarHBondContact O-N 3.01Å; L1002-H1005 PolarHBondContact O-N 3.16Å; H1005-T1007 PolarHBondContact O-N 2.84Å; H1005-S1008 PolarHBondContact O-N 2.79Å; H1005-S1008 PolarHBondContact O-OG 2.93Å; H1005-A1009 WeakPolarHBondContact O-CA 3.42Å; H1005-A1009 WeakPolarHBondContact O-CB 3.41Å; H1005-A1009 PolarHBondContact O-N 3.32Å; H1005-H1010 AromaticContact CD2-NE2 3.89Å; H1005-H1010 AromaticContact NE2-CE1 3.75Å; H1005-H1010 AromaticContact NE2-NE2 3.46Å; H1005-H1010 PolarHBondContact NE2-NE2 2.96Å
1006I88.3Confident79.9Confident2 Ų257.8 Ų57.81%0.0133%0.333CS..Hα-helixtrans-58.7-43.3175.2-67.7156.2000109.9L1002 N1003 H1010 T1011 W1028 I1051 L1056L1002-I1006 HydrophobicContact CD1-CD1 3.81Å; L1002-I1006 HydrophobicContact CD1-CG1 4.11Å; L1002-I1006 HydrophobicContact CG-CD1 3.83Å; L1002-I1006 VanDerWaalsContact O-CD1 3.27Å; L1002-I1006 WeakPolarHBondContact O-CD1 3.41Å; L1002-I1006 WeakPolarHBondContact O-CG1 3.32Å; L1002-I1006 PolarHBondContact O-N 2.73Å; N1003-I1006 PolarHBondContact O-N 2.9Å; I1006-H1010 WeakPolarHBondContact O-CB 3.39Å; I1006-H1010 PolarHBondContact O-N 2.91Å; I1006-H1010 VanDerWaalsContact O-N 3.14Å; I1006-T1011 HydrophobicContact CG2-CG2 4.24Å; I1006-T1011 PolarHBondContact O-N 3.2Å; I1006-T1011 PolarHBondContact O-OG1 3.02Å; I1006-W1028 HydrophobicContact CD1-CH2 4.4Å; I1006-W1028 HydrophobicContact CD1-CZ3 3.74Å; I1006-W1028 HydrophobicContact CG1-CZ3 4.29Å; I1006-I1051 HydrophobicContact CD1-CG2 3.88Å; I1006-I1051 HydrophobicContact CG2-CD1 3.99Å; I1006-I1051 HydrophobicContact CG2-CG2 4.22Å; I1006-L1056 HydrophobicContact CD1-CD1 3.7Å
1007T87.2Confident78Confident51 Ų5163.4 Ų63.431%0.31336%0.357SS..Iπ-helixtrans-61.5-55.1179.8-56.50000110.9N1003 D1004 H1005 T1011 S1012N1003-T1007 WeakPolarHBondContact O-CB 3.22Å; N1003-T1007 PolarHBondContact O-N 3.07Å; N1003-T1007 PolarHBondContact O-OG1 2.83Å; D1004-T1007 PolarHBondContact O-N 2.83Å; H1005-T1007 PolarHBondContact O-N 2.84Å; T1007-T1011 VanDerWaalsContact CA-OG1 3.24Å; T1007-T1011 WeakPolarHBondContact CA-OG1 3.43Å; T1007-T1011 PolarHBondContact O-OG1 3.47Å; T1007-S1012 WeakPolarHBondContact O-CB 3.5Å; T1007-S1012 PolarHBondContact O-N 2.77Å
1008S86.5Confident76.3Confident76 Ų7663.3 Ų63.353%0.53137%0.37SS..Iπ-helixtrans-79.3-30.2-173.159.60000115.6D1004 H1005 S1012D1004-S1008 VanDerWaalsContact O-CB 3.27Å; D1004-S1008 WeakPolarHBondContact O-CB 3.46Å; D1004-S1008 PolarHBondContact O-N 2.85Å; D1004-S1008 PolarHBondContact O-OG 3.32Å; H1005-S1008 PolarHBondContact O-N 2.79Å; H1005-S1008 PolarHBondContact O-OG 2.93Å; S1008-S1012 WeakPolarHBondContact O-CB 3.37Å; S1008-S1012 PolarHBondContact O-OG 3.04Å
1009A83.4Confident74.2Confident45 Ų4569.6 Ų69.637%0.37240%0.4SS..Iπ-helixtrans-109.9-15.5-17300000114.7H1005H1005-A1009 WeakPolarHBondContact O-CA 3.42Å; H1005-A1009 WeakPolarHBondContact O-CB 3.41Å; H1005-A1009 PolarHBondContact O-N 3.32Å
1010H87Confident72.2Confident33 Ų3372 Ų7215%0.15343%0.427CS..Iπ-helixtrans-123.4-31-177.7-60.3-25.9000114.5C987 W989 C992 H1005 I1006 I1014C987-H1010 PolarHBondContact SG-NE2 2.82Å; W989-H1010 WeakPolarHBondContact CB-CD2 3.36Å; W989-H1010 WeakPolarHBondContact CB-NE2 3.46Å; W989-H1010 AromaticContact CD1-CD2 3.66Å; W989-H1010 AromaticContact CD1-CG 3.47Å; W989-H1010 VanDerWaalsContact CD1-CG 3.47Å; W989-H1010 AromaticContact CD1-ND1 3.71Å; W989-H1010 AromaticContact CD1-NE2 3.98Å; W989-H1010 HydrophobicContact CD2-CB 3.94Å; W989-H1010 AromaticContact CD2-CD2 3.82Å; W989-H1010 AromaticContact CD2-CG 3.96Å; W989-H1010 HydrophobicContact CG-CB 4.09Å; W989-H1010 AromaticContact CG-CD2 3.33Å; W989-H1010 AromaticContact CG-CG 3.6Å; W989-H1010 AromaticContact CG-NE2 3.76Å; W989-H1010 HydrophobicContact CZ2-CB 4.19Å; W989-H1010 AromaticContact NE1-CG 3.75Å; C992-H1010 WeakPolarHBondContact CB-NE2 3.27Å; C992-H1010 PolarHBondContact SG-NE2 3.44Å; H1005-H1010 AromaticContact CD2-NE2 3.89Å; H1005-H1010 AromaticContact NE2-CE1 3.75Å; H1005-H1010 AromaticContact NE2-NE2 3.46Å; H1005-H1010 PolarHBondContact NE2-NE2 2.96Å; I1006-H1010 WeakPolarHBondContact O-CB 3.39Å; I1006-H1010 PolarHBondContact O-N 2.91Å; I1006-H1010 VanDerWaalsContact O-N 3.14Å; H1010-I1014 WeakPolarHBondContact O-CD1 3.28Å; H1010-I1014 WeakPolarHBondContact O-CG1 3.34Å
1011T84.5Confident70.3Confident1 Ų173.4 Ų73.41%0.00644%0.435CS..Iπ-helixtrans-112.5-18.9-174.163.80000114.6W989 I1006 T1007 Q1013 I1014 L1047 H1048 I1051W989-T1011 HydrophobicContact CH2-CG2 4.35Å; I1006-T1011 HydrophobicContact CG2-CG2 4.24Å; I1006-T1011 PolarHBondContact O-N 3.2Å; I1006-T1011 PolarHBondContact O-OG1 3.02Å; T1007-T1011 VanDerWaalsContact CA-OG1 3.24Å; T1007-T1011 WeakPolarHBondContact CA-OG1 3.43Å; T1007-T1011 PolarHBondContact O-OG1 3.47Å; T1011-Q1013 VanDerWaalsContact C-N 3.32Å; T1011-Q1013 PolarHBondContact O-N 2.9Å; T1011-I1014 HydrophobicContact CG2-CD1 4.19Å; T1011-I1014 PolarHBondContact O-N 2.76Å; T1011-L1047 HydrophobicContact CG2-CD2 4.3Å; T1011-H1048 WeakPolarHBondContact CB-NE2 3.31Å; T1011-H1048 PolarHBondContact OG1-NE2 3.15Å; T1011-I1051 HydrophobicContact CG2-CD1 4.48Å
1012S78Confident68.6Low57 Ų5776.6 Ų76.640%0.39945%0.454SS..G310 helixtrans-57.3-41.7176.554.90000112.9T1007 S1008T1007-S1012 WeakPolarHBondContact O-CB 3.5Å; T1007-S1012 PolarHBondContact O-N 2.77Å; S1008-S1012 WeakPolarHBondContact O-CB 3.37Å; S1008-S1012 PolarHBondContact O-OG 3.04Å
1013Q65.3Low67.5Low132 Ų13281.5 Ų81.562%0.61748%0.477SS*.G310 helixtrans-83.1-12.8-176.7-64.4-179.21.300113.8T1011 G1015 M1016T1011-Q1013 VanDerWaalsContact C-N 3.32Å; T1011-Q1013 PolarHBondContact O-N 2.9Å; Q1013-G1015 PolarHBondContact O-N 2.98Å; Q1013-M1016 PolarHBondContact O-N 2.82Å
1014I69.4Low66.9Low61 Ų6182.8 Ų82.831%0.31348%0.48SS..G310 helixtrans-62.9-16.7-177.4-62.6-179.6000112.1H1010 T1011 Y1024 L1044 L1047H1010-I1014 WeakPolarHBondContact O-CD1 3.28Å; H1010-I1014 WeakPolarHBondContact O-CG1 3.34Å; T1011-I1014 HydrophobicContact CG2-CD1 4.19Å; T1011-I1014 PolarHBondContact O-N 2.76Å; I1014-Y1024 HydrophobicContact CG2-CD1 3.68Å; I1014-Y1024 HydrophobicContact CG2-CE1 4.06Å; I1014-L1044 HydrophobicContact CB-CD1 4.34Å; I1014-L1044 HydrophobicContact CG2-CD1 4.45Å; I1014-L1047 HydrophobicContact CD1-CD2 4.08Å
1015G54.9Low66.5Low67 Ų6779.8 Ų79.869%0.69147%0.465SS*.G310 helixtrans-111.76177.700000116.7Q1013Q1013-G1015 PolarHBondContact O-N 2.98Å
1016M50.4Low66.4Low148 Ų14879.1 Ų79.173%0.72946%0.462SS*.THydrogen-bonded Turntrans-107.6-14-171.9-89.4-170.867.900116.3Q1013Q1013-M1016 PolarHBondContact O-N 2.82Å
1017F41.4Very low66.2Low150 Ų15081.6 Ų81.666%0.65848%0.475SS*.  trans-122.795.5177.1-67.7-81.8000109.4
1018S34.7Very low66.1Low116 Ų11679.1 Ų79.181%0.81146%0.46SS*.  trans-93.6104.6179.81610000110.4
1019L36.1Very low65.7Low165 Ų16579.6 Ų79.686%0.86446%0.456SS*.SBendtrans-164.492.6154.3-102.1159.8000107.9
1020G41.8Very low65.3Low78 Ų7881.5 Ų81.580%0.80446%0.463SS*.SBendtrans108.8104.4171.900000116.5
1021D45.7Very low64.9Low136 Ų13680.2 Ų80.273%0.72746%0.458SS*.  trans52.393.2165.3-77.57.1000119.5Q1023D1021-Q1023 HydrophobicContact CB-CG 4.43Å; D1021-Q1023 PolarHBondContact O-N 2.86Å
1022D49.1Very low64.3Low143 Ų14385 Ų8577%0.76549%0.491SS*.  trans-54.883170.6-67.5-60.6000114.6
1023Q64.8Low63.9Low104 Ų10485.9 Ų85.949%0.48649%0.488SS..  trans-11891.6179.4-60.3-146.92600111.5D1021 V1025 P1040D1021-Q1023 HydrophobicContact CB-CG 4.43Å; D1021-Q1023 PolarHBondContact O-N 2.86Å; Q1023-V1025 HydrophobicContact CB-CG2 3.91Å; Q1023-V1025 PolarHBondContact O-N 2.91Å; Q1023-P1040 HydrophobicContact CB-CB 3.76Å; Q1023-P1040 HydrophobicContact CB-CG 4.04Å; Q1023-P1040 HydrophobicContact CG-CB 4.21Å; Q1023-P1040 HydrophobicContact CG-CG 3.9Å
1024Y79Confident63.7Low62 Ų6282.7 Ų82.724%0.24347%0.471CS..BIsolated β-bridgetrans-67.275.2170.7-54.7-83.1000110.6I1014 F1041 L1044I1014-Y1024 HydrophobicContact CG2-CD1 3.68Å; I1014-Y1024 HydrophobicContact CG2-CE1 4.06Å; Y1024-F1041 WeakPolarHBondContact CB-O 3.37Å; Y1024-F1041 VanDerWaalsContact CD2-O 3.26Å; Y1024-F1041 WeakPolarHBondContact CD2-O 3.33Å; Y1024-F1041 WeakPolarHBondContact O-CB 3.47Å; Y1024-F1041 WeakPolarHBondContact O-CD2 3.32Å; Y1024-F1041 PolarHBondContact O-N 2.94Å; Y1024-L1044 HydrophobicContact CD1-CB 4.01Å; Y1024-L1044 HydrophobicContact CD1-CD1 3.61Å; Y1024-L1044 HydrophobicContact CD1-CG 4.46Å; Y1024-L1044 HydrophobicContact CE1-CB 3.72Å; Y1024-L1044 HydrophobicContact CE1-CD1 3.8Å; Y1024-L1044 HydrophobicContact CE1-CG 4.37Å
1025V79.9Confident63Low34 Ų3489.4 Ų89.421%0.20649%0.492CS..  trans-90.1140.6-178-178.50000110.3Q1023 L1027 P1040Q1023-V1025 HydrophobicContact CB-CG2 3.91Å; Q1023-V1025 PolarHBondContact O-N 2.91Å; V1025-L1027 HydrophobicContact CB-CD2 4.32Å; V1025-L1027 HydrophobicContact CG1-CD2 3.98Å; V1025-L1027 PolarHBondContact O-N 3.22Å; V1025-P1040 HydrophobicContact CG2-CB 4.14Å
1026C86.6Confident62.9Low1 Ų192.7 Ų92.71%0.00749%0.487CS..  trans-82110.6170.5-176.10000109.8W1028 Y1034 F1041 L1047 H1055C1026-W1028 PolarHBondContact O-N 2.78Å; C1026-Y1034 VanDerWaalsContact O-CB 3.3Å; C1026-Y1034 WeakPolarHBondContact O-CB 3Å; C1026-F1041 HydrophobicContact CB-CE2 4.12Å; C1026-L1047 HydrophobicContact CB-CD1 3.61Å; C1026-H1055 VanDerWaalsContact SG-CD2 3.51Å; C1026-H1055 PolarHBondContact SG-NE2 2.73Å
1027L84.9Confident63.2Low53 Ų5393.9 Ų93.928%0.27749%0.491SS..  trans-88.520.4179.6-49.8176.8000113.3W989 R990 V1025 L1029 Y1034W989-L1027 HydrophobicContact CD2-CB 4.12Å; W989-L1027 HydrophobicContact CG-CB 4.46Å; W989-L1027 HydrophobicContact CZ2-CB 3.87Å; W989-L1027 HydrophobicContact CZ2-CD1 4.23Å; W989-L1027 HydrophobicContact CZ2-CG 3.92Å; R990-L1027 HydrophobicContact CB-CB 3.91Å; R990-L1027 WeakPolarHBondContact CB-O 3.27Å; R990-L1027 PolarHBondContact N-O 2.88Å; V1025-L1027 HydrophobicContact CB-CD2 4.32Å; V1025-L1027 HydrophobicContact CG1-CD2 3.98Å; V1025-L1027 PolarHBondContact O-N 3.22Å; L1027-L1029 PolarHBondContact O-N 3.32Å; L1027-Y1034 HydrophobicContact CB-CD2 4.31Å; L1027-Y1034 HydrophobicContact CB-CE2 4.39Å; L1027-Y1034 HydrophobicContact CD2-CD2 3.81Å; L1027-Y1034 HydrophobicContact CD2-CE2 3.64Å
1028W85Confident64Low0 Ų087.8 Ų87.80%047%0.471CS..BIsolated β-bridgetrans-69.2127.6179.2-163.4-87.1000110.8R988 W989 L1002 I1006 C1026 T1030 C1031 I1051 H1055R988-W1028 HydrophobicContact CB-CD2 4.17Å; R988-W1028 HydrophobicContact CB-CZ2 3.82Å; R988-W1028 HydrophobicContact CG-CZ2 3.94Å; R988-W1028 CarbonylContact O-C 3.59Å; R988-W1028 WeakPolarHBondContact O-CA 3.35Å; W989-W1028 HydrophobicContact CE3-CE3 4.2Å; L1002-W1028 HydrophobicContact CD2-CH2 4.32Å; I1006-W1028 HydrophobicContact CD1-CH2 4.4Å; I1006-W1028 HydrophobicContact CD1-CZ3 3.74Å; I1006-W1028 HydrophobicContact CG1-CZ3 4.29Å; C1026-W1028 PolarHBondContact O-N 2.78Å; W1028-T1030 VanDerWaalsContact CD1-OG1 3.27Å; W1028-T1030 PolarHBondContact NE1-OG1 2.88Å; W1028-T1030 PolarHBondContact O-N 3.08Å; W1028-C1031 HydrophobicContact CB-CB 4.08Å; W1028-C1031 VanDerWaalsContact O-CB 3.23Å; W1028-C1031 WeakPolarHBondContact O-CB 3.48Å; W1028-C1031 PolarHBondContact O-N 3.27Å; W1028-I1051 HydrophobicContact CE3-CG2 4.35Å; W1028-I1051 HydrophobicContact CZ3-CG2 4.37Å; W1028-H1055 AromaticContact CD1-CE1 3.98Å; W1028-H1055 AromaticContact CD1-CG 3.55Å; W1028-H1055 AromaticContact CD1-ND1 3.43Å; W1028-H1055 HydrophobicContact CD2-CB 3.6Å; W1028-H1055 AromaticContact CD2-CG 3.7Å; W1028-H1055 AromaticContact CE2-CG 3.95Å; W1028-H1055 HydrophobicContact CE3-CB 3.99Å; W1028-H1055 HydrophobicContact CG-CB 3.97Å; W1028-H1055 AromaticContact CG-CD2 3.71Å; W1028-H1055 AromaticContact CG-CG 3.5Å; W1028-H1055 AromaticContact CG-ND1 3.81Å; W1028-H1055 HydrophobicContact CH2-CB 4.28Å; W1028-H1055 HydrophobicContact CZ2-CB 3.9Å; W1028-H1055 HydrophobicContact CZ3-CB 4.32Å; W1028-H1055 AromaticContact NE1-CG 3.8Å; W1028-H1055 AromaticContact NE1-ND1 3.83Å
1029L76.7Confident65.5Low86 Ų8690.6 Ų90.645%0.4547%0.468SS..THydrogen-bonded Turntrans-52.2-29.1-171.2-87.7151.1000114.8R988 L1027R988-L1029 HydrophobicContact CB-CB 4.39Å; R988-L1029 HydrophobicContact CB-CD1 4.32Å; R988-L1029 WeakPolarHBondContact O-CB 3.35Å; R988-L1029 PolarHBondContact O-N 3.45Å; L1027-L1029 PolarHBondContact O-N 3.32Å
1030T74.9Confident67.3Low84 Ų8484.7 Ų84.752%0.51544%0.44SS..THydrogen-bonded Turntrans-1057.3179.156.20000114.1W1028W1028-T1030 VanDerWaalsContact CD1-OG1 3.27Å; W1028-T1030 PolarHBondContact NE1-OG1 2.88Å; W1028-T1030 PolarHBondContact O-N 3.08Å
1031C80.4Confident69.1Low6 Ų682 Ų824%0.04141%0.406CS..  trans-75.4130.6-179.3-175.30000111.8W1028 K1033 Y1034 H1050 H1055W1028-C1031 HydrophobicContact CB-CB 4.08Å; W1028-C1031 VanDerWaalsContact O-CB 3.23Å; W1028-C1031 WeakPolarHBondContact O-CB 3.48Å; W1028-C1031 PolarHBondContact O-N 3.27Å; C1031-K1033 VanDerWaalsContact C-N 3.32Å; C1031-K1033 PolarHBondContact O-N 3.14Å; C1031-K1033 PolarHBondContact SG-N 2.89Å; C1031-K1033 VanDerWaalsContact SG-N 3.39Å; C1031-Y1034 WeakPolarHBondContact O-CB 3.27Å; C1031-Y1034 PolarHBondContact O-N 3.45Å; C1031-Y1034 VanDerWaalsContact O-N 3.12Å; C1031-H1050 PolarHBondContact SG-NE2 3.13Å; C1031-H1055 VanDerWaalsContact CB-CE1 3.48Å; C1031-H1055 WeakPolarHBondContact CB-CE1 2.98Å
1032S70.9Confident70.6Confident101 Ų10179.9 Ų79.971%0.70640%0.4SS*.G310 helixtrans-63.4-37.5173.850.10000112.4Y1034 R1035S1032-Y1034 PolarHBondContact O-N 3.44Å; S1032-R1035 PolarHBondContact O-N 3.21Å
1033K69.3Low72.1Confident76 Ų7674.9 Ų74.933%0.3338%0.376SS..G310 helixtrans-73-8173.2-74-165.3175.4-161.80114.6C1031 R1035 G1038 F1041C1031-K1033 VanDerWaalsContact C-N 3.32Å; C1031-K1033 PolarHBondContact O-N 3.14Å; C1031-K1033 PolarHBondContact SG-N 2.89Å; C1031-K1033 VanDerWaalsContact SG-N 3.39Å; K1033-R1035 VanDerWaalsContact C-N 3.32Å; K1033-G1038 WeakPolarHBondContact O-CA 3.37Å; K1033-F1041 HydrophobicContact CD-CE1 4.35Å; K1033-F1041 HydrophobicContact CD-CE2 3.7Å; K1033-F1041 HydrophobicContact CD-CZ 3.5Å; K1033-F1041 VanDerWaalsContact CD-CZ 3.5Å
1034Y61.6Low73Confident66 Ų6672.1 Ų72.126%0.25936%0.364SS..G310 helixtrans-77-24.4173.3176.1-120.4000111.8R990 C1026 L1027 C1031 S1032R990-Y1034 VanDerWaalsContact CZ-OH 3.31Å; R990-Y1034 PolarHBondContact NE-OH 2.77Å; R990-Y1034 PolarHBondContact NH2-OH 2.94Å; C1026-Y1034 VanDerWaalsContact O-CB 3.3Å; C1026-Y1034 WeakPolarHBondContact O-CB 3Å; L1027-Y1034 HydrophobicContact CB-CD2 4.31Å; L1027-Y1034 HydrophobicContact CB-CE2 4.39Å; L1027-Y1034 HydrophobicContact CD2-CD2 3.81Å; L1027-Y1034 HydrophobicContact CD2-CE2 3.64Å; C1031-Y1034 WeakPolarHBondContact O-CB 3.27Å; C1031-Y1034 PolarHBondContact O-N 3.45Å; C1031-Y1034 VanDerWaalsContact O-N 3.12Å; S1032-Y1034 PolarHBondContact O-N 3.44Å
1035R55.8Low73.4Confident201 Ų20173.2 Ų73.276%0.75838%0.379SS*.SBendtrans-68.4148.1174.8-63.5-176.4179.1-177-2.5109.8S1032 K1033 E1037 G1038S1032-R1035 PolarHBondContact O-N 3.21Å; K1033-R1035 VanDerWaalsContact C-N 3.32Å; R1035-E1037 PolarHBondContact O-N 3.47Å; R1035-G1038 PolarHBondContact O-N 3.29Å
1036K52.7Low73.7Confident137 Ų13778.8 Ų78.860%0.59640%0.396SS*.THydrogen-bonded Turntrans-47.2-2.4-165-73.4153.5145.7-1760118.8I785I785-K1036 HydrophobicContact CB-CD 4.46Å; I785-K1036 HydrophobicContact CD1-CB 4.45Å; I785-K1036 HydrophobicContact CD1-CG 4.3Å; I785-K1036 HydrophobicContact CG1-CG 4.46Å; I785-K1036 HydrophobicContact CG2-CB 4Å; I785-K1036 HydrophobicContact CG2-CD 3.63Å; I785-K1036 HydrophobicContact CG2-CG 3.96Å
1037E55.3Low73.8Confident173 Ų17378.8 Ų78.881%0.80840%0.396SS*.THydrogen-bonded Turntrans-110.9-5.8179-61.3171.517600113.2R1035 K1039R1035-E1037 PolarHBondContact O-N 3.47Å; E1037-K1039 PolarHBondContact O-N 2.97Å; E1037-K1039 VanDerWaalsContact O-N 3.11Å
1038G57.9Low74Confident22 Ų2278.4 Ų78.423%0.22739%0.393CS..  trans-72.9103.8-173.200000113.3K1033 R1035K1033-G1038 WeakPolarHBondContact O-CA 3.37Å; R1035-G1038 PolarHBondContact O-N 3.29Å
1039K66.3Low74.2Confident174 Ų17486.5 Ų86.576%0.75742%0.423SS*.PPolyproline II helixtrans-50.7134.8171.6-66.7-169.5178.3-1700111.3E1037E1037-K1039 PolarHBondContact O-N 2.97Å; E1037-K1039 VanDerWaalsContact O-N 3.11Å
1040P74.2Confident74.8Confident42 Ų4283.4 Ų83.427%0.27341%0.407SS..PPolyproline II helixtrans-57.5156.4177.124.9-34.9000111.5Q1023 V1025Q1023-P1040 HydrophobicContact CB-CB 3.76Å; Q1023-P1040 HydrophobicContact CB-CG 4.04Å; Q1023-P1040 HydrophobicContact CG-CB 4.21Å; Q1023-P1040 HydrophobicContact CG-CG 3.9Å; V1025-P1040 HydrophobicContact CG2-CB 4.14Å
1041F80.6Confident75.5Confident22 Ų2279.5 Ų79.510%0.09638%0.382CS..BIsolated β-bridgetrans-70.6143.1164.9-67.1-89.3000108.2Y1024 C1026 K1033 S1043 R1046 L1047 H1050Y1024-F1041 WeakPolarHBondContact CB-O 3.37Å; Y1024-F1041 VanDerWaalsContact CD2-O 3.26Å; Y1024-F1041 WeakPolarHBondContact CD2-O 3.33Å; Y1024-F1041 WeakPolarHBondContact O-CB 3.47Å; Y1024-F1041 WeakPolarHBondContact O-CD2 3.32Å; Y1024-F1041 PolarHBondContact O-N 2.94Å; C1026-F1041 HydrophobicContact CB-CE2 4.12Å; K1033-F1041 HydrophobicContact CD-CE1 4.35Å; K1033-F1041 HydrophobicContact CD-CE2 3.7Å; K1033-F1041 HydrophobicContact CD-CZ 3.5Å; K1033-F1041 VanDerWaalsContact CD-CZ 3.5Å; F1041-S1043 PolarHBondContact O-N 2.7Å; F1041-R1046 HydrophobicContact CB-CB 4.2Å; F1041-R1046 HydrophobicContact CD1-CB 4.12Å; F1041-R1046 WeakPolarHBondContact CD1-O 3.45Å; F1041-L1047 HydrophobicContact CB-CB 4.1Å; F1041-L1047 HydrophobicContact CD2-CB 4.29Å; F1041-L1047 HydrophobicContact CD2-CD1 3.83Å; F1041-L1047 HydrophobicContact CE2-CD1 4.18Å; F1041-L1047 HydrophobicContact CG-CB 4.26Å; F1041-H1050 HydrophobicContact CD1-CB 4.33Å; F1041-H1050 HydrophobicContact CE1-CB 3.51Å; F1041-H1050 AromaticContact CE1-CG 3.81Å; F1041-H1050 HydrophobicContact CE2-CB 4.11Å; F1041-H1050 AromaticContact CE2-CD2 3.54Å; F1041-H1050 AromaticContact CE2-CG 3.8Å; F1041-H1050 HydrophobicContact CZ-CB 3.38Å; F1041-H1050 AromaticContact CZ-CD2 3.39Å; F1041-H1050 WeakPolarHBondContact CZ-CD2 3.35Å; F1041-H1050 AromaticContact CZ-CG 3.14Å; F1041-H1050 AromaticContact CZ-ND1 3.6Å; F1041-H1050 AromaticContact CZ-NE2 3.93Å
1042P76.6Confident75.8Confident91 Ų9184.9 Ų84.959%0.59141%0.405SS*.SBendtrans-84.87.9-176.632.2-35.2000113.6R1046P1042-R1046 VanDerWaalsContact CG-NH1 3.3Å
1043S80.6Confident76.4Confident37 Ų3785.1 Ų85.126%0.25940%0.395SS..SBendtrans-165.1153.5170.866.40000111.6F1041 R1046 L1047F1041-S1043 PolarHBondContact O-N 2.7Å; S1043-R1046 PolarHBondContact O-N 2.8Å; S1043-L1047 PolarHBondContact O-N 2.93Å; S1043-L1047 VanDerWaalsContact O-N 3.14Å
1044L84.5Confident77.1Confident47 Ų4786 Ų8625%0.24640%0.399CS..Hα-helixtrans-53.1-44.3176.3-158.771.9000113I1014 Y1024 R1046 L1047 H1048I1014-L1044 HydrophobicContact CB-CD1 4.34Å; I1014-L1044 HydrophobicContact CG2-CD1 4.45Å; Y1024-L1044 HydrophobicContact CD1-CB 4.01Å; Y1024-L1044 HydrophobicContact CD1-CD1 3.61Å; Y1024-L1044 HydrophobicContact CD1-CG 4.46Å; Y1024-L1044 HydrophobicContact CE1-CB 3.72Å; Y1024-L1044 HydrophobicContact CE1-CD1 3.8Å; Y1024-L1044 HydrophobicContact CE1-CG 4.37Å; L1044-R1046 VanDerWaalsContact C-N 3.29Å; L1044-R1046 PolarHBondContact O-N 3.44Å; L1044-L1047 HydrophobicContact CD1-CD2 4.47Å; L1044-L1047 WeakPolarHBondContact O-CB 3.32Å; L1044-L1047 PolarHBondContact O-N 2.84Å; L1044-L1047 VanDerWaalsContact O-N 3.07Å; L1044-H1048 PolarHBondContact O-N 3.27Å
1045P86.2Confident78.4Confident85 Ų8583.2 Ų83.255%0.55239%0.388SS*.Hα-helixtrans-62.8-30176.6-2536.6000114.1R1049P1045-R1049 VanDerWaalsContact O-CB 3.3Å; P1045-R1049 WeakPolarHBondContact O-CB 3.35Å; P1045-R1049 PolarHBondContact O-N 3.25Å
1046R86.6Confident79.8Confident151 Ų15174.3 Ų74.357%0.5736%0.356SS*.Hα-helixtrans-74.5-32.3174.3-71.9-170.9-170.4-178.16.6112F1041 P1042 S1043 L1044 H1050F1041-R1046 HydrophobicContact CB-CB 4.2Å; F1041-R1046 HydrophobicContact CD1-CB 4.12Å; F1041-R1046 WeakPolarHBondContact CD1-O 3.45Å; P1042-R1046 VanDerWaalsContact CG-NH1 3.3Å; S1043-R1046 PolarHBondContact O-N 2.8Å; L1044-R1046 VanDerWaalsContact C-N 3.29Å; L1044-R1046 PolarHBondContact O-N 3.44Å; R1046-H1050 WeakPolarHBondContact O-CB 3.46Å; R1046-H1050 PolarHBondContact O-N 3.48Å; R1046-H1050 VanDerWaalsContact O-N 3.1Å
1047L89.2Confident81.1Confident0 Ų072.1 Ų72.10%036%0.355CS..Hα-helixtrans-65.9-49.5170.317458.4000110.7W989 T1011 I1014 C1026 F1041 S1043 L1044 R1049 H1050 I1051W989-L1047 HydrophobicContact CH2-CD1 4.4Å; W989-L1047 HydrophobicContact CH2-CD2 4.39Å; T1011-L1047 HydrophobicContact CG2-CD2 4.3Å; I1014-L1047 HydrophobicContact CD1-CD2 4.08Å; C1026-L1047 HydrophobicContact CB-CD1 3.61Å; F1041-L1047 HydrophobicContact CB-CB 4.1Å; F1041-L1047 HydrophobicContact CD2-CB 4.29Å; F1041-L1047 HydrophobicContact CD2-CD1 3.83Å; F1041-L1047 HydrophobicContact CE2-CD1 4.18Å; F1041-L1047 HydrophobicContact CG-CB 4.26Å; S1043-L1047 PolarHBondContact O-N 2.93Å; S1043-L1047 VanDerWaalsContact O-N 3.14Å; L1044-L1047 HydrophobicContact CD1-CD2 4.47Å; L1044-L1047 WeakPolarHBondContact O-CB 3.32Å; L1044-L1047 PolarHBondContact O-N 2.84Å; L1044-L1047 VanDerWaalsContact O-N 3.07Å; L1047-R1049 PolarHBondContact O-N 2.9Å; L1047-H1050 WeakPolarHBondContact O-CB 3.48Å; L1047-H1050 PolarHBondContact O-N 3.01Å; L1047-I1051 HydrophobicContact CD1-CD1 3.8Å; L1047-I1051 HydrophobicContact CD1-CG1 4.16Å; L1047-I1051 HydrophobicContact CG-CD1 3.82Å; L1047-I1051 WeakPolarHBondContact O-CD1 3.34Å; L1047-I1051 VanDerWaalsContact O-CG1 3.27Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.39Å; L1047-I1051 PolarHBondContact O-N 2.83Å
1048H89.8Confident82.2Confident46 Ų4666.4 Ų66.421%0.21333%0.334CS..Hα-helixtrans-56.6-48.6175.2-70.2161.5000112.6T1011 L1044 H1050 I1051 K1052T1011-H1048 WeakPolarHBondContact CB-NE2 3.31Å; T1011-H1048 PolarHBondContact OG1-NE2 3.15Å; L1044-H1048 PolarHBondContact O-N 3.27Å; H1048-H1050 VanDerWaalsContact C-N 3.31Å; H1048-H1050 PolarHBondContact O-N 3.06Å; H1048-I1051 PolarHBondContact O-N 3.43Å; H1048-I1051 VanDerWaalsContact O-N 3.09Å; H1048-K1052 WeakPolarHBondContact O-CB 3.37Å; H1048-K1052 PolarHBondContact O-N 2.87Å
1049R88.3Confident83.3Confident169 Ų16965.3 Ų65.364%0.63832%0.323SS*.Hα-helixtrans-56.1-45.2175.8-178174.8-65.5166.5-0.1111.7P1045 L1047 I1051 K1052 E1053P1045-R1049 VanDerWaalsContact O-CB 3.3Å; P1045-R1049 WeakPolarHBondContact O-CB 3.35Å; P1045-R1049 PolarHBondContact O-N 3.25Å; L1047-R1049 PolarHBondContact O-N 2.9Å; R1049-I1051 VanDerWaalsContact C-N 3.34Å; R1049-I1051 PolarHBondContact O-N 2.81Å; R1049-K1052 PolarHBondContact O-N 3.1Å; R1049-E1053 WeakPolarHBondContact CD-OE1 3.46Å; R1049-E1053 HydrophobicContact CG-CG 4.3Å; R1049-E1053 WeakPolarHBondContact CG-OE1 3.34Å; R1049-E1053 WeakPolarHBondContact O-CB 3.49Å; R1049-E1053 VanDerWaalsContact O-CG 3.3Å; R1049-E1053 WeakPolarHBondContact O-CG 3.15Å; R1049-E1053 PolarHBondContact O-N 2.83Å
1050H90.1Very high84Confident22 Ų2259 Ų5910%0.10230%0.299CS..Hα-helixtrans-60.6-40.7175.9166.470000113.1C1031 F1041 R1046 L1047 H1048 K1054 H1055C1031-H1050 PolarHBondContact SG-NE2 3.13Å; F1041-H1050 HydrophobicContact CD1-CB 4.33Å; F1041-H1050 HydrophobicContact CE1-CB 3.51Å; F1041-H1050 AromaticContact CE1-CG 3.81Å; F1041-H1050 HydrophobicContact CE2-CB 4.11Å; F1041-H1050 AromaticContact CE2-CD2 3.54Å; F1041-H1050 AromaticContact CE2-CG 3.8Å; F1041-H1050 HydrophobicContact CZ-CB 3.38Å; F1041-H1050 AromaticContact CZ-CD2 3.39Å; F1041-H1050 WeakPolarHBondContact CZ-CD2 3.35Å; F1041-H1050 AromaticContact CZ-CG 3.14Å; F1041-H1050 AromaticContact CZ-ND1 3.6Å; F1041-H1050 AromaticContact CZ-NE2 3.93Å; R1046-H1050 WeakPolarHBondContact O-CB 3.46Å; R1046-H1050 PolarHBondContact O-N 3.48Å; R1046-H1050 VanDerWaalsContact O-N 3.1Å; L1047-H1050 WeakPolarHBondContact O-CB 3.48Å; L1047-H1050 PolarHBondContact O-N 3.01Å; H1048-H1050 VanDerWaalsContact C-N 3.31Å; H1048-H1050 PolarHBondContact O-N 3.06Å; H1050-K1054 WeakPolarHBondContact ND1-CG 3.35Å; H1050-K1054 VanDerWaalsContact O-CB 3.29Å; H1050-K1054 WeakPolarHBondContact O-CB 3.45Å; H1050-K1054 PolarHBondContact O-N 2.58Å; H1050-H1055 AromaticContact CD2-NE2 3.76Å; H1050-H1055 AromaticContact CE1-NE2 3.63Å; H1050-H1055 AromaticContact NE2-CD2 3.91Å; H1050-H1055 AromaticContact NE2-CE1 3.9Å; H1050-H1055 AromaticContact NE2-NE2 3.03Å; H1050-H1055 PolarHBondContact NE2-NE2 2.95Å
1051I88.5Confident83.8Confident1 Ų161.8 Ų61.81%0.00531%0.307CS..Hα-helixtrans-68.5-45.2179.6-59.5155.1000110.6W989 I1006 T1011 W1028 L1047 H1048 R1049 E1053 H1055 L1056W989-I1051 HydrophobicContact CH2-CD1 4.01Å; W989-I1051 HydrophobicContact CZ3-CD1 3.53Å; W989-I1051 HydrophobicContact CZ3-CG1 4.04Å; I1006-I1051 HydrophobicContact CD1-CG2 3.88Å; I1006-I1051 HydrophobicContact CG2-CD1 3.99Å; I1006-I1051 HydrophobicContact CG2-CG2 4.22Å; T1011-I1051 HydrophobicContact CG2-CD1 4.48Å; W1028-I1051 HydrophobicContact CE3-CG2 4.35Å; W1028-I1051 HydrophobicContact CZ3-CG2 4.37Å; L1047-I1051 HydrophobicContact CD1-CD1 3.8Å; L1047-I1051 HydrophobicContact CD1-CG1 4.16Å; L1047-I1051 HydrophobicContact CG-CD1 3.82Å; L1047-I1051 WeakPolarHBondContact O-CD1 3.34Å; L1047-I1051 VanDerWaalsContact O-CG1 3.27Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.39Å; L1047-I1051 PolarHBondContact O-N 2.83Å; H1048-I1051 PolarHBondContact O-N 3.43Å; H1048-I1051 VanDerWaalsContact O-N 3.09Å; R1049-I1051 VanDerWaalsContact C-N 3.34Å; R1049-I1051 PolarHBondContact O-N 2.81Å; I1051-E1053 VanDerWaalsContact C-N 3.33Å; I1051-E1053 PolarHBondContact O-N 3.01Å; I1051-H1055 HydrophobicContact CG2-CB 4.24Å; I1051-H1055 WeakPolarHBondContact O-CB 3.29Å; I1051-H1055 PolarHBondContact O-N 3.34Å; I1051-L1056 HydrophobicContact CG2-CD1 3.89Å; I1051-L1056 PolarHBondContact O-N 3.36Å; I1051-L1056 VanDerWaalsContact O-N 3.1Å
1052K86.7Confident82.7Confident119 Ų11962.5 Ų62.552%0.51731%0.314SS..Hα-helixtrans-61.5-37.8176.3-167.8165.2-174.21680112.4H1048 R1049 L1056 P1057H1048-K1052 WeakPolarHBondContact O-CB 3.37Å; H1048-K1052 PolarHBondContact O-N 2.87Å; R1049-K1052 PolarHBondContact O-N 3.1Å; K1052-L1056 HydrophobicContact CG-CD2 4.34Å; K1052-P1057 WeakPolarHBondContact O-CD 3.37Å
1053E83.2Confident81.4Confident107 Ų10761.5 Ų61.550%0.530%0.303SS..Hα-helixtrans-82.7-38.5179.9-73.3175.5-166.600114.9R1049 I1051R1049-E1053 WeakPolarHBondContact CD-OE1 3.46Å; R1049-E1053 HydrophobicContact CG-CG 4.3Å; R1049-E1053 WeakPolarHBondContact CG-OE1 3.34Å; R1049-E1053 WeakPolarHBondContact O-CB 3.49Å; R1049-E1053 VanDerWaalsContact O-CG 3.3Å; R1049-E1053 WeakPolarHBondContact O-CG 3.15Å; R1049-E1053 PolarHBondContact O-N 2.83Å; I1051-E1053 VanDerWaalsContact C-N 3.33Å; I1051-E1053 PolarHBondContact O-N 3.01Å
1054K85Confident79.7Confident94 Ų9466 Ų6641%0.40932%0.316SS..Hα-helixtrans-102.7-28.3-169.8-60.2-56-177.7-174.40114.3H911 H1050H911-K1054 PolarHBondContact CE1-NZ 3.17Å; H911-K1054 VanDerWaalsContact CE1-NZ 3.33Å; H911-K1054 PolarHBondContact NE2-NZ 3.31Å; H1050-K1054 WeakPolarHBondContact ND1-CG 3.35Å; H1050-K1054 VanDerWaalsContact O-CB 3.29Å; H1050-K1054 WeakPolarHBondContact O-CB 3.45Å; H1050-K1054 PolarHBondContact O-N 2.58Å
1055H88.7Confident77.7Confident7 Ų767 Ų673%0.03232%0.321CS..THydrogen-bonded Turntrans-112.9-46.8-166.9-61.9-36.1000112.6C1026 W1028 C1031 H1050 I1051 S1058 S1059C1026-H1055 VanDerWaalsContact SG-CD2 3.51Å; C1026-H1055 PolarHBondContact SG-NE2 2.73Å; W1028-H1055 AromaticContact CD1-CE1 3.98Å; W1028-H1055 AromaticContact CD1-CG 3.55Å; W1028-H1055 AromaticContact CD1-ND1 3.43Å; W1028-H1055 HydrophobicContact CD2-CB 3.6Å; W1028-H1055 AromaticContact CD2-CG 3.7Å; W1028-H1055 AromaticContact CE2-CG 3.95Å; W1028-H1055 HydrophobicContact CE3-CB 3.99Å; W1028-H1055 HydrophobicContact CG-CB 3.97Å; W1028-H1055 AromaticContact CG-CD2 3.71Å; W1028-H1055 AromaticContact CG-CG 3.5Å; W1028-H1055 AromaticContact CG-ND1 3.81Å; W1028-H1055 HydrophobicContact CH2-CB 4.28Å; W1028-H1055 HydrophobicContact CZ2-CB 3.9Å; W1028-H1055 HydrophobicContact CZ3-CB 4.32Å; W1028-H1055 AromaticContact NE1-CG 3.8Å; W1028-H1055 AromaticContact NE1-ND1 3.83Å; C1031-H1055 VanDerWaalsContact CB-CE1 3.48Å; C1031-H1055 WeakPolarHBondContact CB-CE1 2.98Å; H1050-H1055 AromaticContact CD2-NE2 3.76Å; H1050-H1055 AromaticContact CE1-NE2 3.63Å; H1050-H1055 AromaticContact NE2-CD2 3.91Å; H1050-H1055 AromaticContact NE2-CE1 3.9Å; H1050-H1055 AromaticContact NE2-NE2 3.03Å; H1050-H1055 PolarHBondContact NE2-NE2 2.95Å; I1051-H1055 HydrophobicContact CG2-CB 4.24Å; I1051-H1055 WeakPolarHBondContact O-CB 3.29Å; I1051-H1055 PolarHBondContact O-N 3.34Å; H1055-S1058 CarbonylContact O-C 3.46Å; H1055-S1058 WeakPolarHBondContact O-CA 3.5Å; H1055-S1058 PolarHBondContact O-N 3.05Å; H1055-S1058 PolarHBondContact O-OG 3.39Å; H1055-S1059 PolarHBondContact O-N 3.33Å; H1055-S1059 VanDerWaalsContact O-N 3.08Å
1056L85Confident75.4Confident15 Ų1566.9 Ų66.98%0.07932%0.319CS..Hα-helixtrans-52-47.8177.9-99.968.2000113.7A999 L1002 N1003 I1006 I1051 K1052 S1058 S1059A999-L1056 HydrophobicContact CB-CD2 4.48Å; L1002-L1056 HydrophobicContact CD2-CD1 4.49Å; L1002-L1056 HydrophobicContact CD2-CG 4.41Å; N1003-L1056 HydrophobicContact CB-CD2 4.15Å; I1006-L1056 HydrophobicContact CD1-CD1 3.7Å; I1051-L1056 HydrophobicContact CG2-CD1 3.89Å; I1051-L1056 PolarHBondContact O-N 3.36Å; I1051-L1056 VanDerWaalsContact O-N 3.1Å; K1052-L1056 HydrophobicContact CG-CD2 4.34Å; L1056-S1058 PolarHBondContact O-N 2.97Å; L1056-S1058 VanDerWaalsContact O-N 3.11Å; L1056-S1059 WeakPolarHBondContact O-CB 3.49Å; L1056-S1059 PolarHBondContact O-N 3.38Å; L1056-S1059 PolarHBondContact O-OG 3.3Å
1057P80.1Confident72.7Confident91 Ų9161.8 Ų61.859%0.59131%0.306SS*.Hα-helixtrans-60.8-24.1178.3-25.135.5000114K1052K1052-P1057 WeakPolarHBondContact O-CD 3.37Å
1058S78.3Confident70Confident52 Ų5267.1 Ų67.136%0.36433%0.329SS..Hα-helixtrans-98-2.6178.976.20000114.2R988 H1055 L1056R988-S1058 PolarHBondContact NH2-O 3.42Å; H1055-S1058 CarbonylContact O-C 3.46Å; H1055-S1058 WeakPolarHBondContact O-CA 3.5Å; H1055-S1058 PolarHBondContact O-N 3.05Å; H1055-S1058 PolarHBondContact O-OG 3.39Å; L1056-S1058 PolarHBondContact O-N 2.97Å; L1056-S1058 VanDerWaalsContact O-N 3.11Å
1059S81.4Confident67.2Low0 Ų071 Ų710%035%0.35CS..Hα-helixtrans-79.9-27.6-178.371.20000112.8C986 L1002 H1055 L1056C986-S1059 PolarHBondContact N-O 2.77Å; C986-S1059 WeakPolarHBondContact O-CB 3.33Å; L1002-S1059 VanDerWaalsContact CD2-OG 3.23Å; L1002-S1059 WeakPolarHBondContact CD2-OG 3.47Å; H1055-S1059 PolarHBondContact O-N 3.33Å; H1055-S1059 VanDerWaalsContact O-N 3.08Å; L1056-S1059 WeakPolarHBondContact O-CB 3.49Å; L1056-S1059 PolarHBondContact O-N 3.38Å; L1056-S1059 PolarHBondContact O-OG 3.3Å
1060V80.5Confident64.6Low40 Ų4066.8 Ų66.824%0.24235%0.346CS..EExtended strand (participates in β ladder)trans-68.7142.3-176.770.90000112.7R983 V984 Y985R983-V1060 HydrophobicContact CB-CG2 4.43Å; V984-V1060 CarbonylContact O-C 3.57Å; V984-V1060 WeakPolarHBondContact O-CA 3.43Å; Y985-V1060 HydrophobicContact CD1-CB 3.78Å; Y985-V1060 HydrophobicContact CD1-CG2 4.1Å; Y985-V1060 HydrophobicContact CE1-CB 3.64Å; Y985-V1060 HydrophobicContact CE1-CG2 3.71Å; Y985-V1060 HydrophobicContact CE2-CG2 4.29Å
1061K69.2Low62Low102 Ų10268.9 Ų68.944%0.44336%0.361SS..EExtended strand (participates in β ladder)trans-142.4155167.5-62.2179.7-173.4166.30109.3R983 V984R983-K1061 WeakPolarHBondContact CA-O 3.17Å; V984-K1061 PolarHBondContact N-O 3.43Å; V984-K1061 PolarHBondContact O-N 2.87Å
1062C57.8Low59.4Low37 Ų3775.1 Ų75.125%0.2539%0.388CS..EExtended strand (participates in β ladder)trans-94.4133.5161.1-62.30000108.6L975 L977 T982L975-C1062 VanDerWaalsContact CD2-SG 3.57Å; L977-C1062 HydrophobicContact CD2-CB 4.29Å; T982-C1062 WeakPolarHBondContact O-CA 3.13Å
1063I49.5Very low56.9Low70 Ų7075.2 Ų75.236%0.35939%0.393SS..EExtended strand (participates in β ladder)trans-119.7153.1168.762.3171.9000108.3Q981 T982 V984Q981-I1063 CarbonylContact C-O 3.47Å; Q981-I1063 WeakPolarHBondContact CA-O 3.3Å; Q981-I1063 WeakPolarHBondContact CB-O 3.27Å; T982-I1063 PolarHBondContact N-O 2.91Å; T982-I1063 PolarHBondContact O-N 3.09Å; V984-I1063 HydrophobicContact CG2-CD1 3.65Å; V984-I1063 HydrophobicContact CG2-CG1 3.86Å
1064Y44.6Very low54.5Low132 Ų13274.9 Ų74.952%0.51839%0.394SS..EExtended strand (participates in β ladder)trans-80.2139167.8-72.9-85.9000109.7L978 G980 Q981 V1066L978-Y1064 HydrophobicContact CB-CE1 4.41Å; L978-Y1064 VanDerWaalsContact CD1-OH 3.29Å; L978-Y1064 WeakPolarHBondContact CD1-OH 3.27Å; G980-Y1064 CarbonylContact O-C 3.46Å; G980-Y1064 WeakPolarHBondContact O-CA 3.31Å; Q981-Y1064 HydrophobicContact CG-CD1 3.45Å; Q981-Y1064 VanDerWaalsContact CG-CD1 3.45Å; Q981-Y1064 HydrophobicContact CG-CD2 4.26Å; Q981-Y1064 HydrophobicContact CG-CE1 3.46Å; Q981-Y1064 VanDerWaalsContact CG-CE1 3.46Å; Q981-Y1064 HydrophobicContact CG-CE2 4.28Å; Q981-Y1064 HydrophobicContact CG-CG 3.88Å; Q981-Y1064 VanDerWaalsContact NE2-CE2 3.29Å; Q981-Y1064 PolarHBondContact NE2-OH 2.94Å; Y1064-V1066 PolarHBondContact O-N 3.37Å
1065N43Very low52.1Low66 Ų6674.6 Ų74.635%0.35340%0.396SS..  trans-66.5111.7166.5-69.3-8.7000107.8G980 T982 C1067G980-N1065 WeakPolarHBondContact O-CB 3.49Å; G980-N1065 PolarHBondContact O-N 3.18Å; T982-N1065 WeakPolarHBondContact CB-OD1 3.43Å; T982-N1065 VanDerWaalsContact OG1-CG 3.3Å; T982-N1065 PolarHBondContact OG1-ND2 2.89Å; T982-N1065 PolarHBondContact OG1-OD1 3.35Å; N1065-C1067 VanDerWaalsContact C-N 3.26Å; N1065-C1067 PolarHBondContact O-N 2.92Å
1066V37.3Very low49.4Very low84 Ų8485.3 Ų85.351%0.50944%0.436SS..SBendtrans-78.177.8176.2-175.70000109.8D565 V566 Y1064D565-V1066 WeakPolarHBondContact O-CG1 3.28Å; V566-V1066 WeakPolarHBondContact O-CG1 3.48Å; Y1064-V1066 PolarHBondContact O-N 3.37Å
1067C29.7Very low47Very low44 Ų4489.4 Ų89.430%0.29746%0.462SS..  trans-176.1107.7149.2-169.60000111.3A450 N1065A450-C1067 HydrophobicContact CB-CB 4.42Å; N1065-C1067 VanDerWaalsContact C-N 3.26Å; N1065-C1067 PolarHBondContact O-N 2.92Å
1068F32.4Very low44.6Very low111 Ų11194.8 Ų94.849%0.48747%0.472SS..SBendtrans-165-34.9139.9-139.3-106.7000113.8A450A450-F1068 HydrophobicContact CB-CD2 3.88Å; A450-F1068 HydrophobicContact CB-CE2 3.93Å
1069L32.1Very low42.3Very low127 Ų127100.9 Ų100.967%0.66549%0.487SS*.SBendtrans-99.4-47.8-174.2-120.169.6000114.6T1071 K1072L1069-T1071 PolarHBondContact O-N 3.38Å; L1069-T1071 VanDerWaalsContact O-N 3.13Å; L1069-K1072 PolarHBondContact O-N 3.31Å
1070C32.6Very low39.9Very low81 Ų81109.6 Ų109.655%0.54753%0.527SS..Hα-helixtrans-62.1-28.3-171.5-49.10000113.4
1071T37.3Very low37.5Very low66 Ų66118.6 Ų118.641%0.40556%0.558SS.*Hα-helixtrans-77.1-24.6178.5-40.40000113.3L1069 I1075L1069-T1071 PolarHBondContact O-N 3.38Å; L1069-T1071 VanDerWaalsContact O-N 3.13Å; T1071-I1075 HydrophobicContact CG2-CD1 3.62Å; T1071-I1075 HydrophobicContact CG2-CG1 4.48Å; T1071-I1075 WeakPolarHBondContact O-CG1 3.41Å
1072K32.7Very low35.6Very low132 Ų132120.2 Ų120.257%0.57458%0.577SS**Hα-helixtrans-86-15.9-177-85.9-176.7173.1173.40114.5L1069L1069-K1072 PolarHBondContact O-N 3.31Å
1073I34.4Very low34.2Very low122 Ų122123.7 Ų123.763%0.62660%0.599SS**Hα-helixtrans-98-35.9-179-64.4177.6000112.1
1074L32.2Very low33.2Very low99 Ų99127.7 Ų127.752%0.51862%0.62SS.*Hα-helixtrans-88.4-18.4-176.5-91.6146.8000115.7R1076L1074-R1076 PolarHBondContact O-N 2.98Å
1075I35.3Very low32.4Very low88 Ų88127.4 Ų127.445%0.45163%0.634SS.*THydrogen-bonded Turntrans-75.7-10.2176.3-67.7-177.1000112.4L443 T1071L443-I1075 HydrophobicContact CD2-CD1 4.46Å; T1071-I1075 HydrophobicContact CG2-CD1 3.62Å; T1071-I1075 HydrophobicContact CG2-CG1 4.48Å; T1071-I1075 WeakPolarHBondContact O-CG1 3.41Å
1076R32.5Very low31.9Very low232 Ų232130.9 Ų130.988%0.87566%0.658SS**THydrogen-bonded Turntrans-87.7-3.7177.4-107178.1171.5149.9-2.1115.2L1074L1074-R1076 PolarHBondContact O-N 2.98Å
1077T33.1Very low31.7Very low102 Ų102133 Ų13363%0.62667%0.671SS**SBendtrans-125.9-6.8-168.6-6.30000115.9
1078Y30.8Very low31.9Very low203 Ų203136.6 Ų136.680%0.79669%0.694SS**SBendtrans-131.847.7-170.3-90.4-85.8000114.7
1079R30.7Very low31.6Very low180 Ų180137.7 Ų137.768%0.67971%0.713SS**  trans-138.722.8171.3-124.7-178-162.3-149.35.5117.2
1080H30.6Very low31.7Very low183 Ų183135.8 Ų135.885%0.84772%0.716SS**  trans-120.299.5158.8-72.7-75.5000108.6
1081Y29.4Very low31.8Very low230 Ų230138.4 Ų138.490%0.90273%0.725SS**  trans-176.975.3147.7-101.7-65.2000109
1082V30.3Very low31.7Very low136 Ų136142.4 Ų142.482%0.82474%0.743SS**  trans-80.3132.8149.5176.10000105.5
1083P27.5Very low31.8Very low110 Ų110140.9 Ų140.971%0.71476%0.755SS**  trans-79.3127.4-166.830.1-34.7000112.5
1084L29.5Very low31.7Very low154 Ų154140.9 Ų140.981%0.80676%0.763SS**  trans-128.9147.8157.3-76.6177.5000109.1
1085P27.7Very low31.7Very low126 Ų126143.8 Ų143.882%0.81878%0.778SS**  trans-78.9141.8-164.131.7-35.5000112
1086V31.8Very low31.7Very low139 Ų139150.8 Ų150.884%0.84280%0.799SS**  trans-130.9121.6175.6-167.70000109.5
1087T33.1Very low31.4Very low128 Ų128148.3 Ų148.379%0.78580%0.799SS**  trans-78.3157171.7370000111.3
1088P33.4Very low31.7Very low120 Ų120149.4 Ų149.478%0.77981%0.808SS**  trans-87.4144.6-161.432.4-34.2000115.9
1089C26.3Very low31.9Very low133 Ų133146.3 Ų146.390%0.89981%0.81SS**  trans20.7133.2150.6-540000122.3
1090A34.3Very low32.1Very low87 Ų87143.7 Ų143.772%0.71982%0.816SS**  trans-147.4135.2136.300000111.8
1091D34.8Very low32.5Very low136 Ų136140.7 Ų140.773%0.72782%0.816SS**  trans64.7106.1149.9-59.8-41.4000124.7
1092N35.3Very low32.7Very low150 Ų150136 Ų13680%0.80281%0.811SS**  47.1107115.2-64.7-46.5000121.1
1093A34.8Very low33Very low100 Ų100135.7 Ų135.783%0.82681%0.805SS**  172.8152.2110.300000113.2
1094P32.6Very low33.4Very low122 Ų122137.1 Ų137.179%0.79280%0.802SS**  trans-117.1126.5-172.237.3-24.2000115.3
1095I32.5Very low33.7Very low160 Ų160137 Ų13782%0.82180%0.797SS**  trans-139.9114.2173-58.8-175.7000114.4
1096R34.1Very low34.1Very low236 Ų236138.2 Ų138.289%0.89179%0.792SS**  trans32.7134.5144.2-61.5179.7172.2-179.3-3.3122.8
1097M28Very low34.2Very low180 Ų180136 Ų13689%0.88778%0.783SS**  trans-77.8156.4154.1-55.4-178.276.200112.5
1098P38.3Very low34.3Very low125 Ų125136.4 Ų136.481%0.81278%0.779SS**  trans-118.6162.1153.616.24.8000114.1
1099V34.4Very low34.6Very low137 Ų137140.4 Ų140.483%0.8379%0.785SS**  trans-109.8153.5-174.5172.90000108.8
1100P35.9Very low35.1Very low125 Ų125137.3 Ų137.381%0.81278%0.775SS**  trans-88.2166.9-161.835.1-37.3000115.7
1101S38.2Very low35.7Very low121 Ų121139.2 Ų139.285%0.84678%0.78SS**  trans-137.1163.1173.858.90000112.6
1102V33.1Very low35.9Very low131 Ų131139.4 Ų139.479%0.79479%0.786SS**  trans-113.3179.5-161.8179.10000111.5
1103D37.1Very low36Very low130 Ų130135.1 Ų135.170%0.69578%0.777SS**  trans86.5144.5169.4-70.3-27.2000117.5
1104Q36.1Very low36Very low139 Ų139136.5 Ų136.565%0.6578%0.776SS**  cis-161.4145.54.6-120.2158.343.300112.6
1105Q35.8Very low36.2Very low151 Ų151139.4 Ų139.471%0.70678%0.781SS**  trans61.2156.6147.1-68.6178.714.500120.4
1106Q35.3Very low36.3Very low153 Ų153140.3 Ų140.372%0.71578%0.784SS**  cis-161140.218-140.3166.863.500113.4
1107S35.7Very low36.9Very low93 Ų93133.4 Ų133.465%0.6577%0.77SS**  trans50.5146150.7640000122.2
1108L35.1Very low37.3Very low135 Ų135131.7 Ų131.771%0.70776%0.764SS**  -162142.352.2-75.7161.9000112.9
1109F38.4Very low37.3Very low205 Ų205130.5 Ų130.590%0.89977%0.765SS**  trans37.2147.6155.3-55.2-67.1000122.2
1110G37.8Very low37.5Very low68 Ų68134.9 Ų134.970%0.70177%0.766SS**  cis179.9174.38.700000111.1
1111P46.3Very low37.3Very low126 Ų126137.8 Ų137.882%0.81877%0.766SS**  trans-134.5-161.9-133.837.7-18.4000118.4
1112V38.9Very low37.4Very low140 Ų140137.7 Ų137.785%0.84876%0.763SS**  trans94.9131.8162.7-166.50000116.6
1113G37.2Very low37.5Very low60 Ų60140.1 Ų140.162%0.61976%0.763SS**  cis-175.3164-4.900000116.2
1114T36.2Very low37.5Very low130 Ų130140.8 Ų140.880%0.79877%0.771SS**  trans45.7123.8130.4-11.80000119.3
1115M36.4Very low37.5Very low183 Ų183139 Ų13990%0.90177%0.774SS**  -160.1169.265.8-93.3-172.3157.300115.6
1116M33.2Very low37.4Very low178 Ų178140.7 Ų140.788%0.87778%0.782SS**  trans-135.6-162.2-171.2-122.2-155.2-160.100108.2
1117P47.9Very low37.4Very low92 Ų92141.2 Ų141.260%0.59778%0.784SS**  cis-144.3-169.6-20.132.7-8.7000116.7
1118N37.1Very low37.4Very low144 Ų144144.8 Ų144.877%0.7779%0.791SS**  trans84.1116.8133.5-82.3-21.2000125.1
1119A37.2Very low37.2Very low100 Ų100144.6 Ų144.683%0.82680%0.795SS**  -176.5156.6118.400000111
1120R37.8Very low37.3Very low229 Ų229140.9 Ų140.986%0.86479%0.791SS**  -165.4143.1-52.9-130-176.2-175.8-1701.6108.1
1121F31.8Very low37.1Very low185 Ų185146.7 Ų146.781%0.81180%0.8SS**  trans-58.7-179.1176.5-78.1-81.8000116
1122P40.8Very low36.7Very low119 Ų119145.9 Ų145.977%0.77380%0.804SS**  cis-142.2179.727.841.9-19.8000117.1
1123K35.1Very low36.5Very low183 Ų183142.7 Ų142.780%0.79680%0.799SS**  cis91.3112.414.8-138.4-165.8-165.1-168.60117.8
1124V37.1Very low36.4Very low144 Ų144146.3 Ų146.387%0.87381%0.814SS**  trans-152.6156.8161.5168.40000111.9
1125S37.1Very low36.3Very low100 Ų100149.4 Ų149.470%0.69982%0.816SS**  trans-38.4160.2-171.152.30000121.9
1126Q32.4Very low36.5Very low187 Ų187146.5 Ų146.587%0.87481%0.812SS**  cis93.115026.4-101-174.7-22.400118.3
1127E35.9Very low36.6Very low165 Ų165146.4 Ų146.477%0.77181%0.809SS**  trans85.9146.7173.5-55.1-168.7141.400118.8
1128Q35Very low36.3Very low168 Ų168146.8 Ų146.879%0.78581%0.812SS**  cis-161.4176.5-17.5-111.7177.12400111.1
1129V32.8Very low36.2Very low131 Ų131145.6 Ų145.679%0.79481%0.809SS**  trans-142.8135.5-161170.80000114.1
1130P38.9Very low36.1Very low127 Ų127147 Ų14783%0.82581%0.808SS**  trans-141.9-131.9131.237.7-20.5000115.3
1131Q34.1Very low36Very low190 Ų190140.9 Ų140.989%0.88880%0.8SS**  trans-154.4164.7-159-62168.9-27.100113.7
1132A36.9Very low36.1Very low108 Ų108140.6 Ų140.689%0.89380%0.801SS**  139141.9126.600000118.3
1133G36.2Very low35.7Very low73 Ų73139.8 Ų139.875%0.75379%0.794SS**  trans117.985.1133.100000124.3
1134C34.3Very low35.5Very low137 Ų137139 Ų13993%0.92679%0.793SS**  trans72.7156.2133.8-73.10000127.6
1135F33.5Very low35.3Very low194 Ų194138.4 Ų138.485%0.85179%0.785SS**  trans-83.2-175.9-170.1-91-92.3000115.3
1136P41.4Very low35Very low123 Ų123138.3 Ų138.380%0.79978%0.784SS**  cis-148.5-171.731.241.7-17000121
1137Q36.2Very low35.1Very low175 Ų175133.6 Ų133.682%0.81877%0.772SS**  trans-93.1-168.9175.3-84.7-155.3-13.500112.6
1138P40.6Very low35Very low101 Ų101134 Ų13466%0.65677%0.774SS**  cis-151-162.616.438.3-11.4000119.5
1139T35.9Very low34.8Very low118 Ų118133.3 Ų133.372%0.72477%0.774SS**  trans102.8115.5149.560.50000125
1140T35.4Very low34.8Very low131 Ų131130 Ų13080%0.80477%0.767SS**  trans44.2143.9135.559.40000122.7
1141S34.8Very low34.3Very low99 Ų99132 Ų13269%0.69277%0.77SS**  cis-178.3156.544.742.10000113.6
1142Q33Very low34.3Very low179 Ų179127.7 Ų127.784%0.83676%0.76SS**  trans50.3156.9145.1-62.9176-4.700120.9
1143T33.4Very low34.1Very low102 Ų102132.8 Ų132.863%0.62676%0.758SS**  cis-161.6150.519.9-17.40000110.8
1144Q31.1Very low33.9Very low166 Ų166134.2 Ų134.278%0.77676%0.757SS**  trans41.7158.7135.2-74.8172.6-10.400122.4
1145L32.8Very low34.1Very low132 Ų132132.7 Ų132.769%0.69175%0.745SS**  cis-168.5154.810-125.2162.6000109.8
1146S31Very low34.1Very low99 Ų99129.4 Ų129.469%0.69274%0.741SS**  trans45.9156.6145.456.20000122.5
1147S34.1Very low33.9Very low87 Ų87129.5 Ų129.561%0.60874%0.739SS**  cis-177.1150.7-4.841.60000109.4
1148E33.2Very low33.7Very low174 Ų174128.2 Ų128.281%0.81374%0.737SS**  trans58166.5139-64.7171.6-166.500120.7
1149L31.2Very low33.5Very low153 Ų153128 Ų12880%0.80174%0.736SS**  cis-161.9167.1-29.2-105.2166.4000107.7
1150G32.4Very low33.4Very low61 Ų61129.1 Ų129.163%0.62974%0.736SS**  trans89.1108.9166.400000115
1151L29.4Very low33.2Very low170 Ų170128.6 Ų128.689%0.8973%0.728SS**  65.5112.163.1-62170.8000114.4
1152S33.2Very low33.3Very low99 Ų99130.9 Ų130.969%0.69273%0.731SS**  153.4144.8104.466.70000114.6
1153Y33.4Very low33.3Very low216 Ų216128.5 Ų128.585%0.84773%0.726SS**  trans43.2123.3165.6-54.3-73.6000120.7
1154S32Very low33.3Very low103 Ų103129.9 Ų129.972%0.7273%0.731SS**  74.6147.752.1-165.60000113.5
1155P37.4Very low33.4Very low105 Ų105127.9 Ų127.968%0.68273%0.729SS**  cis-133.1-161.9-11.824.90.7000114.2
1156V33.9Very low33.4Very low125 Ų125127.6 Ų127.676%0.75873%0.731SS**  trans73.6138.7162.9-140.60000113.5
1157T36.9Very low33.6Very low125 Ų125129.4 Ų129.477%0.76773%0.733SS**  cis-154.5157.934.9-42.70000113.3
1158L33Very low33.6Very low148 Ų148132.3 Ų132.378%0.77574%0.742SS**  trans-41.5176.1160.3-93.379.7000116.3
1159P36.1Very low33.6Very low96 Ų96129.3 Ų129.362%0.62374%0.736SS**  cis-142.7-160-30.535-12.5000113.6
1160L34.7Very low33.8Very low141 Ų141127.5 Ų127.574%0.73873%0.731SS**  trans91.3126.4149.5-71.6158.9000122.6
1161L30.3Very low33.9Very low121 Ų121133 Ų13363%0.63474%0.74SS**  trans83.2136.9137.3-68.5164.2000122.5D789D789-L1161 WeakPolarHBondContact OD2-CA 3.33Å
1162I36.5Very low34.3Very low147 Ų147129.6 Ų129.675%0.75473%0.726SS**  trans82.20164-57.7174.6000118.8D789 S790 C791D789-I1162 WeakPolarHBondContact OD1-CA 3.48Å; D789-I1162 PolarHBondContact OD1-N 3Å; S790-I1162 VanDerWaalsContact CA-C 3.44Å; S790-I1162 VanDerWaalsContact CA-O 3.3Å; S790-I1162 WeakPolarHBondContact CA-O 3.16Å; S790-I1162 WeakPolarHBondContact CA-OXT 3.3Å; S790-I1162 PolarHBondContact N-O 3.43Å; S790-I1162 PolarHBondContact N-OXT 3.3Å; C791-I1162 PolarHBondContact N-OXT 3.26Å

Retrieved 1,162 of 1,162 residues in 553.6 ms (Link to these results)

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