A0A5K4ECP1_SCHMA Loading...

Alpha-1,4 glucan phosphorylase

Allosteric enzyme that catalyzes the rate-limiting step in glycogen catabolism, the phosphorolytic cleavage of glycogen to produce glucose-1-phosphate, and plays a central role in maintaining cellular and organismal glucose homeostasis.

AlphaFold DB , UniProt , Accession A0A5K4ECP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 780 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
1M33.8Very low30.8Very low240 Ų240164 Ų164100%1.18282%0.823SS**  075.60-70.7177.7176.100107.3
2N28Very low31.3Very low161 Ų161161.7 Ų161.786%0.86181%0.814SS**  58.7104.966.2-751.1000114.7
3S27.8Very low31.6Very low111 Ų111154.9 Ų154.978%0.77679%0.791SS**  trans8675.6172.181.40000118.4R5S3-R5 PolarHBondContact O-N 3.17Å
4R33.6Very low32.7Very low249 Ų249146.9 Ų146.994%0.9475%0.75SS**  trans-75.9102.1144.8-77.1-173.3-179.6178.53.2106.8C6R4-C6 PolarHBondContact O-N 3.13Å
5R29.9Very low33.7Very low230 Ų230138.9 Ų138.987%0.86871%0.711SS**  trans-52.3111.1172.5-77.8178.3173.9175.6-2.5108.6S3 S7S3-R5 PolarHBondContact O-N 3.17Å; R5-S7 PolarHBondContact O-N 3.43Å
6C26.4Very low34.9Very low122 Ų122138.7 Ų138.782%0.82471%0.706SS**  trans-61.7103.2164.4-141.40000106.6R4 S8R4-C6 PolarHBondContact O-N 3.13Å; C6-S8 PolarHBondContact O-N 3.22Å
7S30.5Very low36.3Very low90 Ų90134.8 Ų134.863%0.62969%0.688SS**  trans-70.8118.817644.80000108.2R5 F9R5-S7 PolarHBondContact O-N 3.43Å; S7-F9 PolarHBondContact O-N 3.39Å
8S27.2Very low38Very low120 Ų120131.9 Ų131.984%0.83969%0.688SS**  trans-67.279.7174.160.80000110.2C6 K10C6-S8 PolarHBondContact O-N 3.22Å; S8-K10 PolarHBondContact O-N 3.3Å
9F34.7Very low39.7Very low165 Ų165132.9 Ų132.972%0.72469%0.686SS**  trans-75109.4160.8-95.3-88.2000107.3S7 E11S7-F9 PolarHBondContact O-N 3.39Å; F9-E11 PolarHBondContact O-N 3.48Å
10K31.6Very low41.2Very low198 Ų198129.3 Ų129.386%0.86167%0.667SS**  trans-39.6126.2164.8-86.4-179.6173.3179.20108.2S8 L12S8-K10 PolarHBondContact O-N 3.3Å; K10-L12 PolarHBondContact O-N 2.76Å
11E35.6Very low42.5Very low118 Ų118126.8 Ų126.855%0.55166%0.655SS**  trans-39.4105-176.4-69.4-178.3136.600111.1F9 S13F9-E11 PolarHBondContact O-N 3.48Å; E11-S13 PolarHBondContact O-N 2.87Å
12L36.6Very low44.6Very low136 Ų136122.8 Ų122.871%0.71263%0.627SS**  trans-64.495.6162.3-90151.6000105.2K10 I14K10-L12 PolarHBondContact O-N 2.76Å; L12-I14 PolarHBondContact O-N 3.48Å; L12-I14 VanDerWaalsContact O-N 3.17Å
13S35.5Very low47.3Very low74 Ų74118.8 Ų118.852%0.51761%0.605SS.*  trans-49.6124.4-179.258.20000108.5E11 V15E11-S13 PolarHBondContact O-N 2.87Å; S13-V15 WeakPolarHBondContact O-CG2 3.13Å; S13-V15 PolarHBondContact O-N 3.36Å
14I47.2Very low49.7Very low43 Ų43113.7 Ų113.722%0.22157%0.57CS.*  trans-59.6107.8169.8-67.6170.1000105L12 Q16L12-I14 PolarHBondContact O-N 3.48Å; L12-I14 VanDerWaalsContact O-N 3.17Å; I14-Q16 HydrophobicContact CG2-CG 4.3Å; I14-Q16 PolarHBondContact O-N 3.22Å
15V46.5Very low52Low26 Ų26104 Ų10416%0.15853%0.534CS..  trans-70.2103.6-170.5171.30000107.8S13 N20 L21 Q56S13-V15 WeakPolarHBondContact O-CG2 3.13Å; S13-V15 PolarHBondContact O-N 3.36Å; V15-N20 HydrophobicContact CB-CB 4.23Å; V15-N20 HydrophobicContact CG1-CB 3.28Å; V15-N20 HydrophobicContact CG2-CB 4.02Å; V15-L21 HydrophobicContact CB-CD2 4.28Å; V15-L21 HydrophobicContact CG1-CB 4.38Å; V15-L21 HydrophobicContact CG1-CD2 3.63Å; V15-L21 HydrophobicContact CG1-CG 3.66Å; V15-Q56 VanDerWaalsContact N-OE1 3.1Å
16Q53.1Low54.7Low136 Ų13695 Ų9564%0.63650%0.503SS*.  trans-103.6-18.2178-73.7178.4-24.900112.7I14I14-Q16 HydrophobicContact CG2-CG 4.3Å; I14-Q16 PolarHBondContact O-N 3.22Å
17D58.3Low57.8Low73 Ų7394.7 Ų94.739%0.3949%0.485SS..SBendtrans-93.4149.8178.373.561.4000112.7K19 N20 L21D17-K19 PolarHBondContact O-N 3.5Å; D17-K19 WeakPolarHBondContact OD1-CB 3.44Å; D17-K19 PolarHBondContact OD1-N 3.43Å; D17-K19 VanDerWaalsContact OD1-N 3.1Å; D17-N20 VanDerWaalsContact OD1-CB 3.31Å; D17-N20 WeakPolarHBondContact OD1-CB 3.45Å; D17-N20 PolarHBondContact OD1-N 3.29Å; D17-N20 PolarHBondContact OD1-ND2 3.48Å; D17-N20 PolarHBondContact OD2-ND2 3.37Å; D17-L21 PolarHBondContact O-N 2.97Å
18A67.2Low60.6Low83 Ų8390.9 Ų90.969%0.68646%0.457SS*.Hα-helixtrans-65.3-26.4-176.800000113.3R22A18-R22 WeakPolarHBondContact O-CB 3.49Å; A18-R22 PolarHBondContact O-N 3.16Å; A18-R22 VanDerWaalsContact O-N 3.11Å
19K71.2Confident63.6Low150 Ų15085.3 Ų85.365%0.65242%0.418SS*.Hα-helixtrans-68.3-51.9-178.9-179.4-174.3175.7-172.80110.1D17 L21 R22 D23D17-K19 PolarHBondContact O-N 3.5Å; D17-K19 WeakPolarHBondContact OD1-CB 3.44Å; D17-K19 PolarHBondContact OD1-N 3.43Å; D17-K19 VanDerWaalsContact OD1-N 3.1Å; K19-L21 VanDerWaalsContact C-N 3.3Å; K19-L21 PolarHBondContact O-N 3.01Å; K19-R22 WeakPolarHBondContact O-CB 3.34Å; K19-R22 PolarHBondContact O-N 3Å; K19-R22 VanDerWaalsContact O-N 3.1Å; K19-D23 PolarHBondContact O-N 2.95Å
20N68.6Low66.3Low60 Ų6082.8 Ų82.832%0.32141%0.409SS..Hα-helixtrans-63-34.8179.2-78.9-32.7000112.2V15 D17 D23 S24V15-N20 HydrophobicContact CB-CB 4.23Å; V15-N20 HydrophobicContact CG1-CB 3.28Å; V15-N20 HydrophobicContact CG2-CB 4.02Å; D17-N20 VanDerWaalsContact OD1-CB 3.31Å; D17-N20 WeakPolarHBondContact OD1-CB 3.45Å; D17-N20 PolarHBondContact OD1-N 3.29Å; D17-N20 PolarHBondContact OD1-ND2 3.48Å; D17-N20 PolarHBondContact OD2-ND2 3.37Å; N20-D23 PolarHBondContact O-N 3.28Å; N20-S24 PolarHBondContact O-N 2.74Å
21L69.5Low69.3Low77 Ų7780.7 Ų80.740%0.40340%0.4SS..Hα-helixtrans-64.3-44.1172.5-73.3179.5000111.6V15 D17 K19 D23 S24 F25 T52V15-L21 HydrophobicContact CB-CD2 4.28Å; V15-L21 HydrophobicContact CG1-CB 4.38Å; V15-L21 HydrophobicContact CG1-CD2 3.63Å; V15-L21 HydrophobicContact CG1-CG 3.66Å; D17-L21 PolarHBondContact O-N 2.97Å; K19-L21 VanDerWaalsContact C-N 3.3Å; K19-L21 PolarHBondContact O-N 3.01Å; L21-D23 VanDerWaalsContact C-N 3.31Å; L21-D23 PolarHBondContact O-N 2.85Å; L21-S24 PolarHBondContact O-N 2.72Å; L21-F25 VanDerWaalsContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CB 3.48Å; L21-F25 PolarHBondContact O-N 3.05Å; L21-T52 HydrophobicContact CD2-CG2 4.11Å
22R77.1Confident71.8Confident157 Ų15780.1 Ų80.159%0.59239%0.393SS*.Hα-helixtrans-62.8-39.4177.2175.7177164.2172.1-1.8111.4A18 K19 F25 N26A18-R22 WeakPolarHBondContact O-CB 3.49Å; A18-R22 PolarHBondContact O-N 3.16Å; A18-R22 VanDerWaalsContact O-N 3.11Å; K19-R22 WeakPolarHBondContact O-CB 3.34Å; K19-R22 PolarHBondContact O-N 3Å; K19-R22 VanDerWaalsContact O-N 3.1Å; R22-F25 PolarHBondContact O-N 3.49Å; R22-N26 VanDerWaalsContact O-CG 3.29Å; R22-N26 PolarHBondContact O-N 3.32Å; R22-N26 PolarHBondContact O-ND2 3.13Å
23D84.5Confident74.4Confident76 Ų7674.8 Ų74.841%0.40637%0.366SS..Hα-helixtrans-69.3-44.6178.7-66.9-18000111.6K19 N20 L21 F25 N26 R27K19-D23 PolarHBondContact O-N 2.95Å; N20-D23 PolarHBondContact O-N 3.28Å; L21-D23 VanDerWaalsContact C-N 3.31Å; L21-D23 PolarHBondContact O-N 2.85Å; D23-F25 VanDerWaalsContact C-N 3.33Å; D23-F25 PolarHBondContact O-N 2.97Å; D23-N26 PolarHBondContact O-N 3.12Å; D23-R27 VanDerWaalsContact O-CB 3.32Å; D23-R27 WeakPolarHBondContact O-CB 3.39Å; D23-R27 PolarHBondContact O-N 3.27Å
24S78.4Confident77.2Confident5 Ų576.7 Ų76.74%0.03538%0.375CS..Hα-helixtrans-59.8-42.6171.3166.60000111.6N20 L21 R27 N28 T52 E55N20-S24 PolarHBondContact O-N 2.74Å; L21-S24 PolarHBondContact O-N 2.72Å; S24-R27 WeakPolarHBondContact O-CB 3.36Å; S24-R27 PolarHBondContact O-N 3.26Å; S24-N28 WeakPolarHBondContact O-CB 3.17Å; S24-N28 PolarHBondContact O-N 3.05Å; S24-N28 PolarHBondContact O-ND2 2.99Å; S24-N28 PolarHBondContact OG-ND2 3.46Å; S24-T52 VanDerWaalsContact C-OG1 3.32Å; S24-T52 PolarHBondContact O-OG1 2.68Å; S24-T52 WeakPolarHBondContact OG-CG2 3.45Å; S24-T52 PolarHBondContact OG-OG1 2.73Å; S24-E55 PolarHBondContact OG-OE2 3.13Å
25F83.2Confident79.2Confident44 Ų4477.9 Ų77.919%0.19338%0.378CS..Hα-helixtrans-60.5-49.4177.7174.5-90.8000112.1L21 R22 D23 R27 N28 L29 F45 A48 L49 T52L21-F25 VanDerWaalsContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CB 3.48Å; L21-F25 PolarHBondContact O-N 3.05Å; R22-F25 PolarHBondContact O-N 3.49Å; D23-F25 VanDerWaalsContact C-N 3.33Å; D23-F25 PolarHBondContact O-N 2.97Å; F25-R27 VanDerWaalsContact C-N 3.3Å; F25-R27 PolarHBondContact O-N 2.98Å; F25-N28 PolarHBondContact O-N 3.3Å; F25-L29 HydrophobicContact CE1-CD2 4.47Å; F25-L29 WeakPolarHBondContact O-CB 3.49Å; F25-L29 PolarHBondContact O-N 3.04Å; F25-F45 HydrophobicContact CE1-CD1 4.29Å; F25-F45 WeakPolarHBondContact CE2-O 3.34Å; F25-F45 HydrophobicContact CZ-CB 4.22Å; F25-F45 AromaticContact CZ-CD1 3.72Å; F25-F45 HydrophobicContact CZ-CD1 3.72Å; F25-F45 HydrophobicContact CZ-CG 4.37Å; F25-A48 HydrophobicContact CD2-CB 4.05Å; F25-A48 HydrophobicContact CE2-CB 3.8Å; F25-A48 HydrophobicContact CZ-CB 4.31Å; F25-L49 HydrophobicContact CD2-CB 4.19Å; F25-L49 HydrophobicContact CD2-CD1 4.5Å; F25-L49 HydrophobicContact CE2-CB 4.06Å; F25-T52 VanDerWaalsContact CA-OG1 3.28Å; F25-T52 WeakPolarHBondContact CA-OG1 3.37Å; F25-T52 PolarHBondContact N-OG1 2.92Å
26N85.5Confident81.3Confident41 Ų4180 Ų8022%0.21939%0.389CS..Hα-helixtrans-64.1-38.3178.3-68-44.9000111.2R22 D23 L29 H30 R37R22-N26 VanDerWaalsContact O-CG 3.29Å; R22-N26 PolarHBondContact O-N 3.32Å; R22-N26 PolarHBondContact O-ND2 3.13Å; D23-N26 PolarHBondContact O-N 3.12Å; N26-L29 PolarHBondContact O-N 3.15Å; N26-H30 WeakPolarHBondContact O-CB 3.42Å; N26-H30 PolarHBondContact O-N 3.45Å; N26-R37 PolarHBondContact OD1-NH2 3.43Å
27R91.5Very high82.9Confident117 Ų11780.5 Ų80.544%0.44239%0.385SS..Hα-helixtrans-60.3-46.2174.1-173.6-175.965.6-136.80.9111.1D23 S24 F25 H30 F31 E55D23-R27 VanDerWaalsContact O-CB 3.32Å; D23-R27 WeakPolarHBondContact O-CB 3.39Å; D23-R27 PolarHBondContact O-N 3.27Å; S24-R27 WeakPolarHBondContact O-CB 3.36Å; S24-R27 PolarHBondContact O-N 3.26Å; F25-R27 VanDerWaalsContact C-N 3.3Å; F25-R27 PolarHBondContact O-N 2.98Å; R27-H30 PolarHBondContact O-N 3.17Å; R27-F31 HydrophobicContact CB-CD2 4.49Å; R27-F31 HydrophobicContact CG-CD2 3.61Å; R27-F31 HydrophobicContact CG-CE2 4.1Å; R27-F31 WeakPolarHBondContact O-CB 3.47Å; R27-F31 WeakPolarHBondContact O-CD2 3.4Å; R27-F31 PolarHBondContact O-N 3.31Å; R27-E55 IonicContact CZ-OE1 3.84Å; R27-E55 IonicContact NH2-OE1 2.83Å; R27-E55 PolarHBondContact NH2-OE1 3.32Å; R27-E55 IonicContact NH2-OE2 2.77Å; R27-E55 PolarHBondContact NH2-OE2 2.92Å
28N89.5Confident84.4Confident9 Ų984.3 Ų84.35%0.04841%0.405CS..Iπ-helixtrans-68.2-39.3178.5-75.2-36.7000112S24 F25 H30 Y32 V33 A48 R51 T52 E55S24-N28 WeakPolarHBondContact O-CB 3.17Å; S24-N28 PolarHBondContact O-N 3.05Å; S24-N28 PolarHBondContact O-ND2 2.99Å; S24-N28 PolarHBondContact OG-ND2 3.46Å; F25-N28 PolarHBondContact O-N 3.3Å; N28-H30 VanDerWaalsContact C-N 3.31Å; N28-H30 PolarHBondContact O-N 2.7Å; N28-Y32 CarbonylContact O-C 3.54Å; N28-Y32 WeakPolarHBondContact O-CA 3.48Å; N28-Y32 VanDerWaalsContact O-CB 3.23Å; N28-Y32 WeakPolarHBondContact O-CB 3.46Å; N28-Y32 PolarHBondContact O-N 2.91Å; N28-V33 PolarHBondContact O-N 3.35Å; N28-A48 HydrophobicContact CB-CB 4.34Å; N28-R51 HydrophobicContact CB-CB 4.18Å; N28-R51 HydrophobicContact CB-CG 4.23Å; N28-R51 WeakPolarHBondContact OD1-CG 3.42Å; N28-T52 WeakPolarHBondContact ND2-CA 3.44Å; N28-T52 PolarHBondContact ND2-N 3.1Å; N28-T52 PolarHBondContact ND2-OG1 3.49Å; N28-E55 PolarHBondContact ND2-OE1 2.7Å; N28-E55 PolarHBondContact OD1-OE1 3.32Å
29L89.7Confident85.6Confident4 Ų484.9 Ų84.92%0.02140%0.396CS..Iπ-helixtrans-59.2-44.3173.8-174.264.8000111.5F25 N26 V33 V34 K35 R37 A40 D44 F45 A48F25-L29 HydrophobicContact CE1-CD2 4.47Å; F25-L29 WeakPolarHBondContact O-CB 3.49Å; F25-L29 PolarHBondContact O-N 3.04Å; N26-L29 PolarHBondContact O-N 3.15Å; L29-V33 HydrophobicContact CD1-CB 4.48Å; L29-V33 WeakPolarHBondContact O-CB 3.37Å; L29-V34 PolarHBondContact O-N 3.2Å; L29-K35 CarbonylContact C-O 3.51Å; L29-K35 HydrophobicContact CD1-CB 4.1Å; L29-K35 PolarHBondContact O-N 3.4Å; L29-R37 HydrophobicContact CD2-CG 4.18Å; L29-A40 HydrophobicContact CD1-CB 4.01Å; L29-D44 HydrophobicContact CD1-CB 4.27Å; L29-F45 HydrophobicContact CD1-CD1 4.15Å; L29-F45 HydrophobicContact CD1-CE1 4.36Å; L29-F45 HydrophobicContact CD2-CD1 4.16Å; L29-F45 HydrophobicContact CD2-CE1 3.8Å; L29-A48 HydrophobicContact CB-CB 4.01Å; L29-A48 HydrophobicContact CD1-CB 4.24Å
30H92.2Very high86.4Confident112 Ų11278.5 Ų78.552%0.51937%0.371SS..Iπ-helixtrans-76.2-50.9-177.1-170.871.7000113.5N26 R27 N28 V34N26-H30 WeakPolarHBondContact O-CB 3.42Å; N26-H30 PolarHBondContact O-N 3.45Å; R27-H30 PolarHBondContact O-N 3.17Å; N28-H30 VanDerWaalsContact C-N 3.31Å; N28-H30 PolarHBondContact O-N 2.7Å; H30-V34 WeakPolarHBondContact O-CA 3.22Å; H30-V34 PolarHBondContact O-N 3.02Å
31F93.7Very high87.4Confident153 Ų15379.1 Ų79.167%0.67138%0.377SS*.Iπ-helixtrans-95-32.5-171.3-65.9-72.8000114.2R27R27-F31 HydrophobicContact CB-CD2 4.49Å; R27-F31 HydrophobicContact CG-CD2 3.61Å; R27-F31 HydrophobicContact CG-CE2 4.1Å; R27-F31 WeakPolarHBondContact O-CB 3.47Å; R27-F31 WeakPolarHBondContact O-CD2 3.4Å; R27-F31 PolarHBondContact O-N 3.31Å
32Y89.4Confident88.1Confident106 Ų10681.9 Ų81.942%0.41639%0.389SS..Iπ-helixtrans-91.1-45.7-177.9-178-91.3000111.7N28 V47 R51N28-Y32 CarbonylContact O-C 3.54Å; N28-Y32 WeakPolarHBondContact O-CA 3.48Å; N28-Y32 VanDerWaalsContact O-CB 3.23Å; N28-Y32 WeakPolarHBondContact O-CB 3.46Å; N28-Y32 PolarHBondContact O-N 2.91Å; Y32-V47 HydrophobicContact CD1-CG1 4.08Å; Y32-V47 HydrophobicContact CE1-CG1 3.67Å; Y32-R51 HydrophobicContact CD1-CB 4.29Å; Y32-R51 HydrophobicContact CD1-CG 4.14Å; Y32-R51 HydrophobicContact CD2-CG 4.2Å; Y32-R51 HydrophobicContact CE1-CB 4.49Å; Y32-R51 HydrophobicContact CE1-CG 4.43Å; Y32-R51 HydrophobicContact CE2-CG 4.47Å; Y32-R51 HydrophobicContact CG-CG 4.02Å
33V89.9Confident88.4Confident24 Ų2477.6 Ų77.615%0.14537%0.373CS..SBendtrans-86.3-21179.6-170.30000112N28 L29 K35 D44 V47 A48N28-V33 PolarHBondContact O-N 3.35Å; L29-V33 HydrophobicContact CD1-CB 4.48Å; L29-V33 WeakPolarHBondContact O-CB 3.37Å; V33-K35 HydrophobicContact CG1-CB 4.37Å; V33-K35 HydrophobicContact CG1-CG 3.78Å; V33-D44 HydrophobicContact CG1-CB 3.79Å; V33-D44 WeakPolarHBondContact CG1-OD1 3.47Å; V33-V47 HydrophobicContact CG2-CB 4.14Å; V33-V47 HydrophobicContact CG2-CG1 3.91Å; V33-A48 HydrophobicContact CG2-CB 4.07Å
34V94.7Very high88.6Confident115 Ų11575 Ų7570%0.69736%0.36SS*.  trans61.748.9-178.8-162.20000111.4L29 H30L29-V34 PolarHBondContact O-N 3.2Å; H30-V34 WeakPolarHBondContact O-CA 3.22Å; H30-V34 PolarHBondContact O-N 3.02Å
35K90.3Very high89.1Confident67 Ų6777.8 Ų77.829%0.29137%0.371SS..  trans-134.5145.5179.8-67.1-72.2-174.4168.60111.4L29 V33 I39 A40 D44L29-K35 CarbonylContact C-O 3.51Å; L29-K35 HydrophobicContact CD1-CB 4.1Å; L29-K35 PolarHBondContact O-N 3.4Å; V33-K35 HydrophobicContact CG1-CB 4.37Å; V33-K35 HydrophobicContact CG1-CG 3.78Å; K35-I39 HydrophobicContact CD-CD1 3.63Å; K35-I39 HydrophobicContact CD-CG1 3.82Å; K35-A40 HydrophobicContact CB-CB 4.26Å; K35-D44 HydrophobicContact CG-CB 4.31Å
36D89.9Confident89.2Confident72 Ų7278.5 Ų78.539%0.38537%0.373SS..  trans-92.7172159.77056.8000110.6N38 I39 A40D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 PolarHBondContact O-N 3.24Å; D36-N38 VanDerWaalsContact OD1-CA 3.32Å; D36-N38 WeakPolarHBondContact OD1-CA 3.47Å; D36-N38 WeakPolarHBondContact OD1-CB 3.48Å; D36-N38 PolarHBondContact OD1-N 3.45Å; D36-I39 PolarHBondContact O-N 2.99Å; D36-I39 PolarHBondContact OD1-N 2.84Å; D36-I39 VanDerWaalsContact OD1-N 3.17Å; D36-A40 VanDerWaalsContact O-CB 3.23Å; D36-A40 WeakPolarHBondContact O-CB 3.35Å; D36-A40 PolarHBondContact O-N 2.81Å; D36-A40 VanDerWaalsContact O-N 3.12Å
37R86.4Confident89.3Confident146 Ų14678 Ų7855%0.55137%0.372SS*.THydrogen-bonded Turntrans-68.7-21.5-177.2-67.7-177.7175.8-166.7-3.6114.3N26 L29N26-R37 PolarHBondContact OD1-NH2 3.43Å; L29-R37 HydrophobicContact CD2-CG 4.18Å
38N89.8Confident89.1Confident153 Ų15372.5 Ų72.582%0.81835%0.35SS*.THydrogen-bonded Turntrans-78.3-29.6-177.5-54.8-38.3000111.6D36D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 PolarHBondContact O-N 3.24Å; D36-N38 VanDerWaalsContact OD1-CA 3.32Å; D36-N38 WeakPolarHBondContact OD1-CA 3.47Å; D36-N38 WeakPolarHBondContact OD1-CB 3.48Å; D36-N38 PolarHBondContact OD1-N 3.45Å
39I93Very high88.8Confident94 Ų9475.8 Ų75.848%0.48237%0.368SS..THydrogen-bonded Turntrans-110.7-2.5-178.663.7164.5000114.2K35 D36K35-I39 HydrophobicContact CD-CD1 3.63Å; K35-I39 HydrophobicContact CD-CG1 3.82Å; D36-I39 PolarHBondContact O-N 2.99Å; D36-I39 PolarHBondContact OD1-N 2.84Å; D36-I39 VanDerWaalsContact OD1-N 3.17Å
40A87.2Confident88.5Confident16 Ų1675.6 Ų75.613%0.13237%0.367CS..  trans-72.9126.8179.900000111.8L29 K35 D36 D44 F45L29-A40 HydrophobicContact CD1-CB 4.01Å; K35-A40 HydrophobicContact CB-CB 4.26Å; D36-A40 VanDerWaalsContact O-CB 3.23Å; D36-A40 WeakPolarHBondContact O-CB 3.35Å; D36-A40 PolarHBondContact O-N 2.81Å; D36-A40 VanDerWaalsContact O-N 3.12Å; A40-D44 HydrophobicContact CB-CB 4.07Å; A40-F45 HydrophobicContact CB-CD1 4.22Å; A40-F45 HydrophobicContact CB-CE1 3.59Å; A40-F45 HydrophobicContact CB-CE2 4.17Å; A40-F45 HydrophobicContact CB-CZ 3.55Å
41T89.6Confident88.2Confident73 Ų7373.1 Ų73.145%0.44835%0.353SS..  trans-84.2168.2172.768.10000111.4R43 D44 F45T41-R43 PolarHBondContact O-N 3.25Å; T41-R43 VanDerWaalsContact O-N 3.12Å; T41-R43 PolarHBondContact OG1-N 2.87Å; T41-D44 WeakPolarHBondContact CB-OD2 3.49Å; T41-D44 PolarHBondContact N-OD2 2.89Å; T41-D44 WeakPolarHBondContact O-CB 3.48Å; T41-D44 PolarHBondContact O-N 3.27Å; T41-D44 VanDerWaalsContact OG1-CG 3.29Å; T41-D44 PolarHBondContact OG1-N 3.38Å; T41-D44 PolarHBondContact OG1-OD2 3.4Å; T41-F45 VanDerWaalsContact O-CD2 3.26Å; T41-F45 WeakPolarHBondContact O-CD2 3.3Å; T41-F45 PolarHBondContact O-N 3.15Å; T41-F45 VanDerWaalsContact O-N 3.09Å
42M84.3Confident87.6Confident135 Ų13566 Ų6667%0.66532%0.322SS*.Hα-helixtrans-55.9-29.1171.9-75.9-57-60.100113.3F45 Y46 L94M42-F45 HydrophobicContact SD-CD2 4.19Å; M42-Y46 PolarHBondContact O-N 3.46Å; M42-L94 HydrophobicContact CB-CD1 4.32Å
43R84Confident87Confident67 Ų6763.7 Ų63.725%0.25332%0.319SS..Hα-helixtrans-71.1-42.8173.9179.3176.3-67.8-177.5-6112T41 F45 Y46 V47 Y118T41-R43 PolarHBondContact O-N 3.25Å; T41-R43 VanDerWaalsContact O-N 3.12Å; T41-R43 PolarHBondContact OG1-N 2.87Å; R43-F45 VanDerWaalsContact C-N 3.25Å; R43-F45 PolarHBondContact O-N 2.98Å; R43-Y46 CarbonylContact O-C 3.56Å; R43-Y46 WeakPolarHBondContact O-CA 3.46Å; R43-Y46 VanDerWaalsContact O-CB 3.31Å; R43-Y46 WeakPolarHBondContact O-CB 3.32Å; R43-Y46 PolarHBondContact O-N 2.69Å; R43-V47 HydrophobicContact CG-CG2 4.32Å; R43-V47 WeakPolarHBondContact O-CG2 3.38Å; R43-V47 PolarHBondContact O-N 3.49Å; R43-Y118 VanDerWaalsContact CZ-CD2 3.4Å; R43-Y118 VanDerWaalsContact CZ-CE2 3.46Å; R43-Y118 VanDerWaalsContact NH2-CD2 3.27Å
44D89.2Confident86.6Confident23 Ų2364.1 Ų64.112%0.12332%0.318CS..Hα-helixtrans-59.8-42.2178.4-61.9-48.8000110.3L29 V33 K35 A40 T41 Y46 V47 A48L29-D44 HydrophobicContact CD1-CB 4.27Å; V33-D44 HydrophobicContact CG1-CB 3.79Å; V33-D44 WeakPolarHBondContact CG1-OD1 3.47Å; K35-D44 HydrophobicContact CG-CB 4.31Å; A40-D44 HydrophobicContact CB-CB 4.07Å; T41-D44 WeakPolarHBondContact CB-OD2 3.49Å; T41-D44 PolarHBondContact N-OD2 2.89Å; T41-D44 WeakPolarHBondContact O-CB 3.48Å; T41-D44 PolarHBondContact O-N 3.27Å; T41-D44 VanDerWaalsContact OG1-CG 3.29Å; T41-D44 PolarHBondContact OG1-N 3.38Å; T41-D44 PolarHBondContact OG1-OD2 3.4Å; D44-Y46 PolarHBondContact O-N 3.13Å; D44-V47 PolarHBondContact O-N 3.34Å; D44-A48 WeakPolarHBondContact O-CB 3.33Å; D44-A48 PolarHBondContact O-N 2.85Å
45F87.3Confident85.9Confident62 Ų6261 Ų6127%0.27230%0.296SS..Hα-helixtrans-63-40.1172.1-62.1-47.6000112.8F25 L29 A40 T41 M42 R43 L49F25-F45 HydrophobicContact CE1-CD1 4.29Å; F25-F45 WeakPolarHBondContact CE2-O 3.34Å; F25-F45 HydrophobicContact CZ-CB 4.22Å; F25-F45 AromaticContact CZ-CD1 3.72Å; F25-F45 HydrophobicContact CZ-CD1 3.72Å; F25-F45 HydrophobicContact CZ-CG 4.37Å; L29-F45 HydrophobicContact CD1-CD1 4.15Å; L29-F45 HydrophobicContact CD1-CE1 4.36Å; L29-F45 HydrophobicContact CD2-CD1 4.16Å; L29-F45 HydrophobicContact CD2-CE1 3.8Å; A40-F45 HydrophobicContact CB-CD1 4.22Å; A40-F45 HydrophobicContact CB-CE1 3.59Å; A40-F45 HydrophobicContact CB-CE2 4.17Å; A40-F45 HydrophobicContact CB-CZ 3.55Å; T41-F45 VanDerWaalsContact O-CD2 3.26Å; T41-F45 WeakPolarHBondContact O-CD2 3.3Å; T41-F45 PolarHBondContact O-N 3.15Å; T41-F45 VanDerWaalsContact O-N 3.09Å; M42-F45 HydrophobicContact SD-CD2 4.19Å; R43-F45 VanDerWaalsContact C-N 3.25Å; R43-F45 PolarHBondContact O-N 2.98Å; F45-L49 WeakPolarHBondContact O-CB 3.21Å; F45-L49 PolarHBondContact O-N 2.85Å
46Y85.6Confident85.1Confident60 Ų6059.6 Ų59.624%0.23529%0.29CS..Hα-helixtrans-60.4-47.2173.6161.5-87.6000112M42 R43 D44 L49 A50 L89 P121M42-Y46 PolarHBondContact O-N 3.46Å; R43-Y46 CarbonylContact O-C 3.56Å; R43-Y46 WeakPolarHBondContact O-CA 3.46Å; R43-Y46 VanDerWaalsContact O-CB 3.31Å; R43-Y46 WeakPolarHBondContact O-CB 3.32Å; R43-Y46 PolarHBondContact O-N 2.69Å; D44-Y46 PolarHBondContact O-N 3.13Å; Y46-L49 PolarHBondContact O-N 2.94Å; Y46-A50 WeakPolarHBondContact O-CB 2.94Å; Y46-A50 PolarHBondContact O-N 3.08Å; Y46-L89 HydrophobicContact CD2-CB 4.48Å; Y46-L89 HydrophobicContact CD2-CD2 3.37Å; Y46-L89 HydrophobicContact CD2-CG 3.96Å; Y46-L89 HydrophobicContact CE2-CB 3.68Å; Y46-L89 HydrophobicContact CE2-CD2 3.24Å; Y46-L89 HydrophobicContact CE2-CG 3.65Å; Y46-L89 HydrophobicContact CG-CD2 4.15Å; Y46-P121 HydrophobicContact CE1-CG 4.24Å
47V87.6Confident84.6Confident31 Ų3156.9 Ų56.919%0.18828%0.276CS..Hα-helixtrans-65.8-43.8-178.7176.60000110.4Y32 V33 R43 D44 L49 A50 R51Y32-V47 HydrophobicContact CD1-CG1 4.08Å; Y32-V47 HydrophobicContact CE1-CG1 3.67Å; V33-V47 HydrophobicContact CG2-CB 4.14Å; V33-V47 HydrophobicContact CG2-CG1 3.91Å; R43-V47 HydrophobicContact CG-CG2 4.32Å; R43-V47 WeakPolarHBondContact O-CG2 3.38Å; R43-V47 PolarHBondContact O-N 3.49Å; D44-V47 PolarHBondContact O-N 3.34Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 3.31Å; V47-A50 PolarHBondContact O-N 3.39Å; V47-R51 WeakPolarHBondContact O-CB 3.47Å; V47-R51 PolarHBondContact O-N 2.74Å
48A88.3Confident84.4Confident0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-58.9-43.8175.500000111.5F25 N28 L29 V33 D44 R51 T52F25-A48 HydrophobicContact CD2-CB 4.05Å; F25-A48 HydrophobicContact CE2-CB 3.8Å; F25-A48 HydrophobicContact CZ-CB 4.31Å; N28-A48 HydrophobicContact CB-CB 4.34Å; L29-A48 HydrophobicContact CB-CB 4.01Å; L29-A48 HydrophobicContact CD1-CB 4.24Å; V33-A48 HydrophobicContact CG2-CB 4.07Å; D44-A48 WeakPolarHBondContact O-CB 3.33Å; D44-A48 PolarHBondContact O-N 2.85Å; A48-R51 PolarHBondContact O-N 3.31Å; A48-T52 PolarHBondContact O-N 2.79Å; A48-T52 PolarHBondContact O-OG1 3.33Å
49L83.4Confident83.9Confident79 Ų7945.5 Ų45.541%0.41423%0.23SC..Hα-helixtrans-66.4-44.5176.7-177.962000112.3F25 F45 Y46 V47 R51 T52 V53 L89F25-L49 HydrophobicContact CD2-CB 4.19Å; F25-L49 HydrophobicContact CD2-CD1 4.5Å; F25-L49 HydrophobicContact CE2-CB 4.06Å; F45-L49 WeakPolarHBondContact O-CB 3.21Å; F45-L49 PolarHBondContact O-N 2.85Å; Y46-L49 PolarHBondContact O-N 2.94Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 3.31Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.5Å; L49-T52 PolarHBondContact O-N 2.68Å; L49-V53 WeakPolarHBondContact O-CG2 3.43Å; L49-V53 PolarHBondContact O-N 3.01Å; L49-L89 HydrophobicContact CD2-CD1 4.3Å; L49-L89 HydrophobicContact CG-CD1 4.43Å
50A82.9Confident83.4Confident0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-55.4-46.2175.800000110.6Y46 V47 V53 W54 L89 P121 W122Y46-A50 WeakPolarHBondContact O-CB 2.94Å; Y46-A50 PolarHBondContact O-N 3.08Å; V47-A50 PolarHBondContact O-N 3.39Å; A50-V53 PolarHBondContact O-N 3.49Å; A50-W54 WeakPolarHBondContact O-CB 3.33Å; A50-W54 PolarHBondContact O-N 3.39Å; A50-L89 HydrophobicContact CB-CD2 3.54Å; A50-P121 HydrophobicContact CB-CB 3.9Å; A50-P121 HydrophobicContact CB-CG 3.77Å; A50-W122 HydrophobicContact CB-CH2 4.05Å; A50-W122 HydrophobicContact CB-CZ2 3.61Å
51R86.5Confident83.4Confident60 Ų6043.8 Ų43.823%0.22621%0.214CC..Hα-helixtrans-63.6-43.5178.7-170.964.6-177.6170.14112.1N28 Y32 V47 A48 L49 V53 W54 E55N28-R51 HydrophobicContact CB-CB 4.18Å; N28-R51 HydrophobicContact CB-CG 4.23Å; N28-R51 WeakPolarHBondContact OD1-CG 3.42Å; Y32-R51 HydrophobicContact CD1-CB 4.29Å; Y32-R51 HydrophobicContact CD1-CG 4.14Å; Y32-R51 HydrophobicContact CD2-CG 4.2Å; Y32-R51 HydrophobicContact CE1-CB 4.49Å; Y32-R51 HydrophobicContact CE1-CG 4.43Å; Y32-R51 HydrophobicContact CE2-CG 4.47Å; Y32-R51 HydrophobicContact CG-CG 4.02Å; V47-R51 WeakPolarHBondContact O-CB 3.47Å; V47-R51 PolarHBondContact O-N 2.74Å; A48-R51 PolarHBondContact O-N 3.31Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.5Å; R51-V53 VanDerWaalsContact C-N 3.3Å; R51-V53 PolarHBondContact O-N 2.73Å; R51-W54 VanDerWaalsContact CZ-CE3 3.47Å; R51-W54 VanDerWaalsContact CZ-CZ3 3.42Å; R51-W54 VanDerWaalsContact NH2-CZ3 3.34Å; R51-W54 WeakPolarHBondContact O-CB 3.24Å; R51-W54 PolarHBondContact O-N 3.37Å; R51-W54 VanDerWaalsContact O-N 3.17Å; R51-E55 WeakPolarHBondContact O-CG 3.39Å; R51-E55 PolarHBondContact O-N 3.44Å
52T81Confident83.4Confident4 Ų444 Ų443%0.02522%0.215CC..Hα-helixtrans-60.4-38.7176-730000112.3L21 S24 F25 N28 A48 L49L21-T52 HydrophobicContact CD2-CG2 4.11Å; S24-T52 VanDerWaalsContact C-OG1 3.32Å; S24-T52 PolarHBondContact O-OG1 2.68Å; S24-T52 WeakPolarHBondContact OG-CG2 3.45Å; S24-T52 PolarHBondContact OG-OG1 2.73Å; F25-T52 VanDerWaalsContact CA-OG1 3.28Å; F25-T52 WeakPolarHBondContact CA-OG1 3.37Å; F25-T52 PolarHBondContact N-OG1 2.92Å; N28-T52 WeakPolarHBondContact ND2-CA 3.44Å; N28-T52 PolarHBondContact ND2-N 3.1Å; N28-T52 PolarHBondContact ND2-OG1 3.49Å; A48-T52 PolarHBondContact O-N 2.79Å; A48-T52 PolarHBondContact O-OG1 3.33Å; L49-T52 PolarHBondContact O-N 2.68Å
53V76.7Confident83.6Confident57 Ų5740.9 Ų40.935%0.34520%0.198SC..Hα-helixtrans-70.5-42.1174.1175.90000111.2L49 A50 R51 E55 Q56 L57 W122L49-V53 WeakPolarHBondContact O-CG2 3.43Å; L49-V53 PolarHBondContact O-N 3.01Å; A50-V53 PolarHBondContact O-N 3.49Å; R51-V53 VanDerWaalsContact C-N 3.3Å; R51-V53 PolarHBondContact O-N 2.73Å; V53-E55 VanDerWaalsContact C-N 3.31Å; V53-E55 PolarHBondContact O-N 2.72Å; V53-Q56 WeakPolarHBondContact O-CB 3.23Å; V53-Q56 PolarHBondContact O-N 3.24Å; V53-Q56 VanDerWaalsContact O-N 3.09Å; V53-L57 HydrophobicContact CG1-CD1 4.39Å; V53-L57 PolarHBondContact O-N 3.2Å; V53-W122 HydrophobicContact CB-CH2 4.15Å; V53-W122 HydrophobicContact CB-CZ3 4.39Å; V53-W122 HydrophobicContact CG1-CH2 4.16Å; V53-W122 HydrophobicContact CG1-CZ3 4.12Å
54W81.2Confident83.9Confident33 Ų3337.7 Ų37.713%0.12519%0.185CC..Hα-helixtrans-59.5-39.5179.3-173.795.9000112.6A50 R51 Q56 L57 C58A50-W54 WeakPolarHBondContact O-CB 3.33Å; A50-W54 PolarHBondContact O-N 3.39Å; R51-W54 VanDerWaalsContact CZ-CE3 3.47Å; R51-W54 VanDerWaalsContact CZ-CZ3 3.42Å; R51-W54 VanDerWaalsContact NH2-CZ3 3.34Å; R51-W54 WeakPolarHBondContact O-CB 3.24Å; R51-W54 PolarHBondContact O-N 3.37Å; R51-W54 VanDerWaalsContact O-N 3.17Å; W54-Q56 PolarHBondContact O-N 3.11Å; W54-L57 PolarHBondContact O-N 3.37Å; W54-L57 VanDerWaalsContact O-N 3.09Å; W54-C58 WeakPolarHBondContact CH2-SG 3.48Å; W54-C58 WeakPolarHBondContact CZ2-SG 3.42Å; W54-C58 HydrophobicContact CZ3-CB 4.43Å; W54-C58 WeakPolarHBondContact CZ3-SG 3.38Å; W54-C58 PolarHBondContact O-N 3.29Å; W54-C58 PolarHBondContact O-SG 3.33Å
55E80.6Confident83.9Confident50 Ų5040.2 Ų40.223%0.23420%0.197CC..Hα-helixtrans-54.9-40.2173.9-73.9175.4170.800112.2S24 R27 N28 R51 V53S24-E55 PolarHBondContact OG-OE2 3.13Å; R27-E55 IonicContact CZ-OE1 3.84Å; R27-E55 IonicContact NH2-OE1 2.83Å; R27-E55 PolarHBondContact NH2-OE1 3.32Å; R27-E55 IonicContact NH2-OE2 2.77Å; R27-E55 PolarHBondContact NH2-OE2 2.92Å; N28-E55 PolarHBondContact ND2-OE1 2.7Å; N28-E55 PolarHBondContact OD1-OE1 3.32Å; R51-E55 WeakPolarHBondContact O-CG 3.39Å; R51-E55 PolarHBondContact O-N 3.44Å; V53-E55 VanDerWaalsContact C-N 3.31Å; V53-E55 PolarHBondContact O-N 2.72Å
56Q73Confident84Confident36 Ų3642.4 Ų42.417%0.16821%0.208CC..Hα-helixtrans-70.4-37.3177.7-60.1-59-47.800112.1V15 V53 W54 C58V15-Q56 VanDerWaalsContact N-OE1 3.1Å; V53-Q56 WeakPolarHBondContact O-CB 3.23Å; V53-Q56 PolarHBondContact O-N 3.24Å; V53-Q56 VanDerWaalsContact O-N 3.09Å; W54-Q56 PolarHBondContact O-N 3.11Å; Q56-C58 VanDerWaalsContact C-N 3.35Å
57L78.2Confident84.2Confident16 Ų1641.4 Ų41.48%0.08421%0.206CC..Hα-helixtrans-68.1-35.4178.3-65.8179.4000111.9V53 W54 S59 R60 W61 W122 P163 P165V53-L57 HydrophobicContact CG1-CD1 4.39Å; V53-L57 PolarHBondContact O-N 3.2Å; W54-L57 PolarHBondContact O-N 3.37Å; W54-L57 VanDerWaalsContact O-N 3.09Å; L57-S59 PolarHBondContact O-N 3.3Å; L57-R60 PolarHBondContact O-N 2.94Å; L57-W61 VanDerWaalsContact O-CB 3.23Å; L57-W61 WeakPolarHBondContact O-CB 3.37Å; L57-W61 PolarHBondContact O-N 3.4Å; L57-W122 HydrophobicContact CD1-CZ3 4.27Å; L57-P163 HydrophobicContact CB-CG 4.49Å; L57-P163 HydrophobicContact CD1-CG 4.18Å; L57-P165 HydrophobicContact CD2-CB 3.77Å; L57-P165 HydrophobicContact CD2-CG 3.96Å
58C83.3Confident84.3Confident25 Ų2541.6 Ų41.617%0.16920%0.204CC..Hα-helixtrans-59.9-44.2-178.3-73.60000113.2W54 Q56 R60 W61 V62W54-C58 WeakPolarHBondContact CH2-SG 3.48Å; W54-C58 WeakPolarHBondContact CZ2-SG 3.42Å; W54-C58 HydrophobicContact CZ3-CB 4.43Å; W54-C58 WeakPolarHBondContact CZ3-SG 3.38Å; W54-C58 PolarHBondContact O-N 3.29Å; W54-C58 PolarHBondContact O-SG 3.33Å; Q56-C58 VanDerWaalsContact C-N 3.35Å; C58-R60 PolarHBondContact O-N 3.2Å; C58-W61 PolarHBondContact O-N 2.61Å; C58-V62 WeakPolarHBondContact O-CG2 3.46Å; C58-V62 PolarHBondContact O-N 3.35Å
59S79.3Confident84.3Confident34 Ų3444.2 Ų44.224%0.23823%0.225CC..Hα-helixtrans-60.3-45.9178-1790000111.4L57 W61 K63L57-S59 PolarHBondContact O-N 3.3Å; S59-W61 VanDerWaalsContact C-N 3.33Å; S59-W61 PolarHBondContact O-N 2.88Å; S59-K63 WeakPolarHBondContact O-CB 3.42Å; S59-K63 VanDerWaalsContact O-CG 3.29Å; S59-K63 WeakPolarHBondContact O-CG 3.44Å; S59-K63 PolarHBondContact O-N 2.7Å; S59-K63 VanDerWaalsContact O-N 3.12Å
60R82Confident84.5Confident63 Ų6345.8 Ų45.824%0.23824%0.238CC..Hα-helixtrans-63.7-40175.8-68.2-175.9-173.5156.910.6112.4L57 C58 T64 Q170 C172L57-R60 PolarHBondContact O-N 2.94Å; C58-R60 PolarHBondContact O-N 3.2Å; R60-T64 WeakPolarHBondContact O-CB 3.37Å; R60-T64 PolarHBondContact O-N 3.42Å; R60-T64 PolarHBondContact O-OG1 3.49Å; R60-Q170 WeakPolarHBondContact CB-O 3.42Å; R60-C172 HydrophobicContact CB-CB 4.03Å
61W87.6Confident84.7Confident12 Ų1251.7 Ų51.75%0.04527%0.266CS..Hα-helixtrans-66.9-48.1-177.4-16926.5000111.6L57 C58 S59 K63 T64 Q65 E161 P163 C172 T174L57-W61 VanDerWaalsContact O-CB 3.23Å; L57-W61 WeakPolarHBondContact O-CB 3.37Å; L57-W61 PolarHBondContact O-N 3.4Å; C58-W61 PolarHBondContact O-N 2.61Å; S59-W61 VanDerWaalsContact C-N 3.33Å; S59-W61 PolarHBondContact O-N 2.88Å; W61-K63 PolarHBondContact O-N 2.68Å; W61-T64 PolarHBondContact O-N 2.91Å; W61-Q65 WeakPolarHBondContact O-CG 3.4Å; W61-Q65 PolarHBondContact O-N 2.93Å; W61-E161 HydrophobicContact CH2-CB 3.48Å; W61-E161 VanDerWaalsContact CH2-CB 3.48Å; W61-E161 HydrophobicContact CH2-CG 4.32Å; W61-E161 WeakPolarHBondContact CH2-OE2 3.5Å; W61-E161 HydrophobicContact CZ2-CB 3.74Å; W61-E161 HydrophobicContact CZ2-CG 4.36Å; W61-E161 WeakPolarHBondContact CZ2-OE2 2.99Å; W61-P163 HydrophobicContact CD2-CB 4.17Å; W61-P163 HydrophobicContact CE3-CB 4.26Å; W61-P163 HydrophobicContact CG-CB 4.42Å; W61-C172 HydrophobicContact CB-CB 4.13Å; W61-C172 VanDerWaalsContact CD1-O 3.27Å; W61-T174 HydrophobicContact CZ2-CG2 3.84Å; W61-T174 PolarHBondContact NE1-OG1 3.45Å
62V89.7Confident84.8Confident77 Ų7749.8 Ų49.847%0.46726%0.261SS..Hα-helixtrans-57.5-50.4173.6172.80000110.8C58 T64 Q65 E66C58-V62 WeakPolarHBondContact O-CG2 3.46Å; C58-V62 PolarHBondContact O-N 3.35Å; V62-T64 VanDerWaalsContact C-N 3.25Å; V62-T64 PolarHBondContact O-N 3.46Å; V62-Q65 PolarHBondContact O-N 3.29Å; V62-Q65 VanDerWaalsContact O-N 3.13Å; V62-E66 HydrophobicContact CG1-CG 4.23Å; V62-E66 WeakPolarHBondContact CG1-OE1 3.42Å; V62-E66 WeakPolarHBondContact O-CG 3.23Å; V62-E66 PolarHBondContact O-N 2.96Å
63K89.3Confident85.3Confident69 Ų6950.9 Ų50.930%0.327%0.267SS..Hα-helixtrans-57.5-37.9177.6-73.4178.2179.9-173.80113S59 W61 L67 S764S59-K63 WeakPolarHBondContact O-CB 3.42Å; S59-K63 VanDerWaalsContact O-CG 3.29Å; S59-K63 WeakPolarHBondContact O-CG 3.44Å; S59-K63 PolarHBondContact O-N 2.7Å; S59-K63 VanDerWaalsContact O-N 3.12Å; W61-K63 PolarHBondContact O-N 2.68Å; K63-L67 WeakPolarHBondContact O-CB 3.46Å; K63-L67 PolarHBondContact O-N 3.36Å; K63-S764 PolarHBondContact NZ-OG 3.17Å
64T88.9Confident86.1Confident0 Ų050.8 Ų50.80%026%0.262CS..Hα-helixtrans-67.3-45.9177.7-58.20000110.9R60 W61 V62 L67 Y68 T171 C172 V761R60-T64 WeakPolarHBondContact O-CB 3.37Å; R60-T64 PolarHBondContact O-N 3.42Å; R60-T64 PolarHBondContact O-OG1 3.49Å; W61-T64 PolarHBondContact O-N 2.91Å; V62-T64 VanDerWaalsContact C-N 3.25Å; V62-T64 PolarHBondContact O-N 3.46Å; T64-L67 PolarHBondContact O-N 3.42Å; T64-Y68 HydrophobicContact CG2-CD2 4.08Å; T64-Y68 HydrophobicContact CG2-CE1 3.97Å; T64-Y68 HydrophobicContact CG2-CE2 3.44Å; T64-Y68 VanDerWaalsContact CG2-CE2 3.44Å; T64-Y68 WeakPolarHBondContact CG2-OH 3.32Å; T64-Y68 VanDerWaalsContact O-CG 3.29Å; T64-Y68 PolarHBondContact O-N 3.46Å; T64-T171 HydrophobicContact CG2-CG2 4Å; T64-C172 WeakPolarHBondContact CB-O 3.38Å; T64-C172 WeakPolarHBondContact CG2-O 3.47Å; T64-C172 PolarHBondContact OG1-N 2.9Å; T64-V761 HydrophobicContact CG2-CG2 4.4Å
65Q90Very high86.8Confident76 Ų7653 Ų5336%0.35528%0.275SS..Hα-helixtrans-65.8-39.7178-62.2-54.5-53.100112.1W61 V62 L67 Y68 A69 T174W61-Q65 WeakPolarHBondContact O-CG 3.4Å; W61-Q65 PolarHBondContact O-N 2.93Å; V62-Q65 PolarHBondContact O-N 3.29Å; V62-Q65 VanDerWaalsContact O-N 3.13Å; Q65-L67 VanDerWaalsContact C-N 3.35Å; Q65-Y68 PolarHBondContact O-N 3.04Å; Q65-A69 WeakPolarHBondContact O-CB 3.34Å; Q65-A69 PolarHBondContact O-N 3.37Å; Q65-T174 PolarHBondContact NE2-OG1 3.31Å
66E89.4Confident87.5Confident108 Ų10853 Ų5351%0.50528%0.279SS..Hα-helixtrans-61.9-42.5174.1-74.1174.3169.600111.8V62 A69 T70V62-E66 HydrophobicContact CG1-CG 4.23Å; V62-E66 WeakPolarHBondContact CG1-OE1 3.42Å; V62-E66 WeakPolarHBondContact O-CG 3.23Å; V62-E66 PolarHBondContact O-N 2.96Å; E66-A69 PolarHBondContact O-N 2.98Å; E66-T70 WeakPolarHBondContact O-CB 3.35Å; E66-T70 PolarHBondContact O-N 3.26Å; E66-T70 PolarHBondContact O-OG1 3Å
67L90Very high88.7Confident40 Ų4052.8 Ų52.821%0.20928%0.281CS..Hα-helixtrans-64.5-45.3176.7-173.868000111.3K63 T64 Q65 A69 T70 E71 I759 V761K63-L67 WeakPolarHBondContact O-CB 3.46Å; K63-L67 PolarHBondContact O-N 3.36Å; T64-L67 PolarHBondContact O-N 3.42Å; Q65-L67 VanDerWaalsContact C-N 3.35Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 2.97Å; L67-T70 PolarHBondContact O-N 3.08Å; L67-T70 VanDerWaalsContact O-N 3.14Å; L67-E71 HydrophobicContact CD1-CG 3.57Å; L67-E71 HydrophobicContact CG-CG 3.97Å; L67-E71 WeakPolarHBondContact O-CB 3.47Å; L67-E71 PolarHBondContact O-N 2.91Å; L67-I759 HydrophobicContact CD2-CG2 3.4Å; L67-I759 HydrophobicContact CG-CG2 4.09Å; L67-V761 HydrophobicContact CD2-CB 4.18Å; L67-V761 HydrophobicContact CD2-CG2 3.63Å
68Y90Very high89.6Confident34 Ų3456 Ų5613%0.13329%0.294CS..Hα-helixtrans-62-39.6176.8-64.4-15.9000111.9T64 Q65 T70 D72 P73 M75 T171 N173 Y249 I759T64-Y68 HydrophobicContact CG2-CD2 4.08Å; T64-Y68 HydrophobicContact CG2-CE1 3.97Å; T64-Y68 HydrophobicContact CG2-CE2 3.44Å; T64-Y68 VanDerWaalsContact CG2-CE2 3.44Å; T64-Y68 WeakPolarHBondContact CG2-OH 3.32Å; T64-Y68 VanDerWaalsContact O-CG 3.29Å; T64-Y68 PolarHBondContact O-N 3.46Å; Q65-Y68 PolarHBondContact O-N 3.04Å; Y68-T70 VanDerWaalsContact C-N 3.3Å; Y68-T70 PolarHBondContact O-N 2.85Å; Y68-D72 WeakPolarHBondContact O-CA 3.33Å; Y68-D72 PolarHBondContact O-N 2.61Å; Y68-P73 HydrophobicContact CD1-CG 4.22Å; Y68-P73 VanDerWaalsContact O-CD 3.22Å; Y68-P73 WeakPolarHBondContact O-CD 3.43Å; Y68-M75 HydrophobicContact CD2-CE 4.14Å; Y68-M75 HydrophobicContact CD2-SD 4.47Å; Y68-T171 WeakPolarHBondContact OH-CG2 3.42Å; Y68-N173 PolarHBondContact OH-OD1 3.35Å; Y68-Y249 PolarHBondContact O-OH 2.86Å; Y68-I759 HydrophobicContact CE1-CB 4.43Å; Y68-I759 HydrophobicContact CE1-CG2 4.36Å
69A86.9Confident90.2Very high55 Ų5555 Ų5546%0.45529%0.287SS..Hα-helixtrans-64.2-35174.800000112.7Q65 E66 L67 Y249Q65-A69 WeakPolarHBondContact O-CB 3.34Å; Q65-A69 PolarHBondContact O-N 3.37Å; E66-A69 PolarHBondContact O-N 2.98Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 2.97Å; A69-Y249 PolarHBondContact O-OH 2.58Å; A69-Y249 VanDerWaalsContact O-OH 3.06Å
70T87.3Confident91.1Very high112 Ų11253.9 Ų53.969%0.68728%0.279SS*.Hα-helixtrans-82.6-46-175.8-53.20000113E66 L67 Y68E66-T70 WeakPolarHBondContact O-CB 3.35Å; E66-T70 PolarHBondContact O-N 3.26Å; E66-T70 PolarHBondContact O-OG1 3Å; L67-T70 PolarHBondContact O-N 3.08Å; L67-T70 VanDerWaalsContact O-N 3.14Å; Y68-T70 VanDerWaalsContact C-N 3.3Å; Y68-T70 PolarHBondContact O-N 2.85Å
71E88Confident91.6Very high125 Ų12552.6 Ų52.658%0.58428%0.277SS*.Hα-helixtrans-80.7-18.7-178.7-64.5-68.2152.300112.5L67 I759L67-E71 HydrophobicContact CD1-CG 3.57Å; L67-E71 HydrophobicContact CG-CG 3.97Å; L67-E71 WeakPolarHBondContact O-CB 3.47Å; L67-E71 PolarHBondContact O-N 2.91Å; E71-I759 HydrophobicContact CB-CD1 4.06Å
72D88.5Confident91.7Very high20 Ų2055.8 Ų55.811%0.10729%0.292CS..  trans47.956.4179.6-17624.6000114.2Y68 Y249 Y252 K260Y68-D72 WeakPolarHBondContact O-CA 3.33Å; Y68-D72 PolarHBondContact O-N 2.61Å; D72-Y249 WeakPolarHBondContact CA-OH 3.18Å; D72-Y249 HydrophobicContact CB-CD1 4.47Å; D72-Y249 HydrophobicContact CB-CE1 3.5Å; D72-Y249 HydrophobicContact CB-CE2 4.42Å; D72-Y249 VanDerWaalsContact CB-CZ 3.48Å; D72-Y249 VanDerWaalsContact CB-OH 3.27Å; D72-Y249 WeakPolarHBondContact CB-OH 3.28Å; D72-Y249 WeakPolarHBondContact OD1-CE2 3.2Å; D72-Y249 PolarHBondContact OD1-OH 3.29Å; D72-Y252 VanDerWaalsContact OD2-CE2 3.25Å; D72-Y252 WeakPolarHBondContact OD2-CE2 3.45Å; D72-Y252 PolarHBondContact OD2-OH 2.86Å; D72-K260 VanDerWaalsContact CG-NZ 3.31Å; D72-K260 PolarHBondContact O-NZ 2.71Å; D72-K260 IonicContact OD1-NZ 3.36Å; D72-K260 WeakPolarHBondContact OD2-CE 3.5Å; D72-K260 IonicContact OD2-NZ 3.19Å; D72-K260 PolarHBondContact OD2-NZ 3.11Å
73P91.5Very high91.7Very high26 Ų2656.1 Ų56.117%0.16929%0.287CS..PPolyproline II helixtrans-66.7159.2174.129.4-34.1000111.8Y68 M75 I759Y68-P73 HydrophobicContact CD1-CG 4.22Å; Y68-P73 VanDerWaalsContact O-CD 3.22Å; Y68-P73 WeakPolarHBondContact O-CD 3.43Å; P73-M75 HydrophobicContact CG-SD 3.94Å; P73-M75 PolarHBondContact O-N 2.97Å; P73-I759 HydrophobicContact CB-CD1 3.45Å; P73-I759 VanDerWaalsContact CB-CD1 3.45Å; P73-I759 HydrophobicContact CB-CG1 4.47Å; P73-I759 HydrophobicContact CG-CD1 3.6Å
74K94.1Very high91.6Very high55 Ų5560.2 Ų60.224%0.23931%0.305CS..PPolyproline II helixtrans-62.5119.4160.3-172.7174.2-170.3-169.40110.3P258 N259 K260 V262 W754 V756K74-P258 WeakPolarHBondContact CE-O 3.19Å; K74-P258 PolarHBondContact NZ-O 3.38Å; K74-N259 WeakPolarHBondContact CD-O 3.41Å; K74-N259 WeakPolarHBondContact CG-O 3.26Å; K74-K260 CarbonylContact C-O 3.58Å; K74-K260 WeakPolarHBondContact CA-O 3.29Å; K74-V262 HydrophobicContact CD-CG2 4.47Å; K74-V262 VanDerWaalsContact NZ-CG2 3.31Å; K74-W754 PolarHBondContact NZ-O 3.01Å; K74-W754 VanDerWaalsContact NZ-O 3.09Å; K74-V756 HydrophobicContact CB-CG1 3.97Å; K74-V756 HydrophobicContact CD-CG1 3.91Å; K74-V756 HydrophobicContact CG-CG1 3.88Å
75M94.1Very high91.2Very high79 Ų7963.5 Ų63.539%0.38932%0.322SS..EExtended strand (participates in β ladder)trans-88.7139.7-176.8-65.2-61.2-70.700111.8Y68 P73 K260 V261 V262Y68-M75 HydrophobicContact CD2-CE 4.14Å; Y68-M75 HydrophobicContact CD2-SD 4.47Å; P73-M75 HydrophobicContact CG-SD 3.94Å; P73-M75 PolarHBondContact O-N 2.97Å; M75-K260 PolarHBondContact N-O 3.43Å; M75-V261 WeakPolarHBondContact O-CA 3.42Å; M75-V262 PolarHBondContact O-N 2.75Å
76V96.5Very high90.6Very high52 Ų5261.6 Ų61.632%0.31532%0.322SS..EExtended strand (participates in β ladder)trans-106.2116.7172.8-178.90000109.1W754 V756V76-W754 HydrophobicContact CB-CE3 4.41Å; V76-W754 HydrophobicContact CG1-CD2 3.73Å; V76-W754 HydrophobicContact CG1-CE3 3.86Å; V76-W754 HydrophobicContact CG1-CG 4.28Å; V76-W754 HydrophobicContact CG1-CH2 4.16Å; V76-W754 HydrophobicContact CG1-CZ2 4.04Å; V76-W754 HydrophobicContact CG1-CZ3 4.08Å; V76-W754 HydrophobicContact CG2-CB 4.07Å; V76-W754 HydrophobicContact CG2-CD2 3.97Å; V76-W754 HydrophobicContact CG2-CE3 3.82Å; V76-W754 HydrophobicContact CG2-CG 4.11Å; V76-V756 HydrophobicContact CG2-CG1 3.93Å; V76-V756 HydrophobicContact CG2-CG2 3.95Å
77C97Very high89.2Confident31 Ų3158.9 Ų58.921%0.20931%0.307CS..EExtended strand (participates in β ladder)trans-100.8118.1171.3-1750000109.7I241 V262 I263 H264C77-I241 HydrophobicContact CB-CD1 3.96Å; C77-V262 PolarHBondContact N-O 3.37Å; C77-I263 HydrophobicContact CB-CG1 4.37Å; C77-I263 WeakPolarHBondContact O-CA 3.48Å; C77-H264 PolarHBondContact O-N 3.17Å
78F97.6Very high87.6Confident83 Ų8360.3 Ų60.336%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-100.6105.4178.9-165.7-84.3000110F83 H264 N266 W754F78-F83 HydrophobicContact CD1-CZ 4.44Å; F78-H264 HydrophobicContact CD2-CB 4.1Å; F78-H264 AromaticContact CD2-CD2 3.64Å; F78-H264 AromaticContact CE2-CD2 3.32Å; F78-H264 WeakPolarHBondContact CE2-CD2 3.38Å; F78-N266 HydrophobicContact CD1-CB 4.47Å; F78-N266 HydrophobicContact CE1-CB 3.62Å; F78-N266 HydrophobicContact CZ-CB 3.73Å; F78-W754 HydrophobicContact CD2-CZ2 4.45Å
79L97.3Very high85Confident5 Ų560.6 Ų60.63%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-87.7121179.8-67.1179.4000110.5V234 T237 I263 H264 N266 P270 A273L79-V234 HydrophobicContact CD1-CG1 4.5Å; L79-T237 HydrophobicContact CD2-CG2 3.57Å; L79-I263 HydrophobicContact CD1-CG2 3.38Å; L79-I263 HydrophobicContact CG-CG2 3.78Å; L79-H264 PolarHBondContact N-O 3.15Å; L79-N266 WeakPolarHBondContact O-CB 3.39Å; L79-N266 PolarHBondContact O-N 3.25Å; L79-N266 VanDerWaalsContact O-N 3.1Å; L79-P270 HydrophobicContact CB-CB 3.7Å; L79-P270 HydrophobicContact CB-CG 3.86Å; L79-P270 HydrophobicContact CD1-CB 4.06Å; L79-P270 WeakPolarHBondContact O-CG 3.36Å; L79-A273 HydrophobicContact CD1-CB 4Å
80S96.5Very high82.4Confident10 Ų1062.7 Ų62.77%0.0732%0.32CS..  trans-147139.1177.2-174.50000110.2E82 N266S80-E82 PolarHBondContact O-N 3.44Å; S80-E82 PolarHBondContact OG-N 2.79Å; S80-E82 PolarHBondContact OG-O 2.89Å; S80-N266 PolarHBondContact OG-ND2 2.85Å
81M93.5Very high79.8Confident36 Ų3661.8 Ų61.818%0.17731%0.311CS..SBendtrans-72.2-15.8169.2-72.2-57-67.900112.5Q229 E230 L233 H269M81-Q229 HydrophobicContact CE-CB 3.76Å; M81-E230 HydrophobicContact CE-CG 4.38Å; M81-E230 HydrophobicContact CG-CG 4.28Å; M81-E230 HydrophobicContact SD-CG 4.11Å; M81-L233 HydrophobicContact CG-CD2 4.34Å; M81-L233 HydrophobicContact SD-CB 4.13Å; M81-L233 HydrophobicContact SD-CD2 3.47Å; M81-L233 WeakPolarHBondContact SD-CD2 3.47Å; M81-L233 HydrophobicContact SD-CG 4.43Å; M81-H269 HydrophobicContact CB-CB 4.24Å; M81-H269 HydrophobicContact CG-CB 3.4Å
82E90.2Very high77Confident79 Ų7958.3 Ų58.337%0.36930%0.298SS..  trans-128.5129.4-174-66.7-179.4-126.500112S80 L213 Y214S80-E82 PolarHBondContact O-N 3.44Å; S80-E82 PolarHBondContact OG-N 2.79Å; S80-E82 PolarHBondContact OG-O 2.89Å; E82-L213 HydrophobicContact CG-CD1 3.96Å; E82-L213 HydrophobicContact CG-CD2 4.13Å; E82-Y214 HydrophobicContact CG-CE2 4.01Å; E82-Y214 WeakPolarHBondContact OE1-CE2 3.46Å; E82-Y214 PolarHBondContact OE1-OH 2.9Å
83F90Very high74.1Confident84 Ų8459.8 Ų59.837%0.36831%0.305SS..  trans-131.397.6165.8-73.9-86.4000109.5F78 M85 L175 L177F78-F83 HydrophobicContact CD1-CZ 4.44Å; F83-M85 VanDerWaalsContact C-N 3.29Å; F83-M85 HydrophobicContact CB-CG 4.19Å; F83-M85 HydrophobicContact CB-SD 4.27Å; F83-M85 PolarHBondContact O-N 3.15Å; F83-L175 HydrophobicContact CB-CD2 4.29Å; F83-L175 HydrophobicContact CD1-CD1 3.84Å; F83-L175 HydrophobicContact CD1-CD2 4.38Å; F83-L175 HydrophobicContact CD2-CD1 3.78Å; F83-L175 HydrophobicContact CE1-CD1 3.76Å; F83-L175 HydrophobicContact CE2-CD1 3.69Å; F83-L175 HydrophobicContact CG-CD1 3.85Å; F83-L175 HydrophobicContact CG-CD2 4.24Å; F83-L175 HydrophobicContact CZ-CD1 3.69Å; F83-L177 HydrophobicContact CD2-CD2 4.49Å
84F85.5Confident71.1Confident154 Ų15463 Ų6368%0.67532%0.32SS*.  trans-84.170.7-178.6-155.8178.7000111.9G86 R578 V579F84-G86 VanDerWaalsContact C-N 3.33Å; F84-G86 PolarHBondContact O-N 2.67Å; F84-R578 HydrophobicContact CZ-CB 4.2Å; F84-V579 HydrophobicContact CD1-CG2 4.05Å; F84-V579 HydrophobicContact CD2-CG2 3.71Å; F84-V579 HydrophobicContact CE1-CG2 4.17Å; F84-V579 HydrophobicContact CE2-CG2 3.85Å; F84-V579 HydrophobicContact CG-CG2 3.83Å; F84-V579 HydrophobicContact CZ-CG2 4.09Å
85M81.1Confident68Low70 Ų7066.4 Ų66.435%0.34534%0.341SS..  trans-67.3-29.2-169.7-63.4-57.6-72.700114.4F83 I164 L175 R418F83-M85 VanDerWaalsContact C-N 3.29Å; F83-M85 HydrophobicContact CB-CG 4.19Å; F83-M85 HydrophobicContact CB-SD 4.27Å; F83-M85 PolarHBondContact O-N 3.15Å; M85-I164 HydrophobicContact CE-CD1 3.51Å; M85-L175 HydrophobicContact CE-CD2 4.28Å; M85-L175 HydrophobicContact CG-CD2 4.15Å; M85-L175 HydrophobicContact SD-CD2 4.02Å; M85-R418 PolarHBondContact O-NH2 2.92Å
86G77.4Confident65Low35 Ų3569.1 Ų69.136%0.36136%0.362SS..  trans66.4-152.8-172.500000112.2F84F84-G86 VanDerWaalsContact C-N 3.33Å; F84-G86 PolarHBondContact O-N 2.67Å
87R61Low61.9Low51 Ų5173.5 Ų73.519%0.19238%0.384CS..  trans-79.2132.3176.9-60.9177.6-174.8166.11.5109.7K90 M93 R418 S580R87-K90 VanDerWaalsContact CD-C 3.42Å; R87-K90 WeakPolarHBondContact CD-O 3.34Å; R87-K90 PolarHBondContact NH1-O 3.07Å; R87-M93 VanDerWaalsContact NH2-CG 3.35Å; R87-R418 PolarHBondContact O-NH1 3.21Å; R87-S580 VanDerWaalsContact CZ-CB 3.41Å; R87-S580 VanDerWaalsContact NE-CB 3.3Å; R87-S580 PolarHBondContact NH2-OG 3.45Å
88T55.7Low58.8Low70 Ų7075 Ų7543%0.42940%0.399SS..SBendtrans-85.7-20.5170.7-42.10000112W122T88-W122 HydrophobicContact CG2-CD2 3.73Å; T88-W122 HydrophobicContact CG2-CE3 3.97Å; T88-W122 HydrophobicContact CG2-CG 4.1Å; T88-W122 HydrophobicContact CG2-CZ3 4.45Å
89L35.9Very low56Low40 Ų4073 Ų7321%0.20939%0.393CS..SBendtrans-124.5-0.9-179.2-174.859.3000116.2Y46 L49 A50 W122Y46-L89 HydrophobicContact CD2-CB 4.48Å; Y46-L89 HydrophobicContact CD2-CD2 3.37Å; Y46-L89 HydrophobicContact CD2-CG 3.96Å; Y46-L89 HydrophobicContact CE2-CB 3.68Å; Y46-L89 HydrophobicContact CE2-CD2 3.24Å; Y46-L89 HydrophobicContact CE2-CG 3.65Å; Y46-L89 HydrophobicContact CG-CD2 4.15Å; L49-L89 HydrophobicContact CD2-CD1 4.3Å; L49-L89 HydrophobicContact CG-CD1 4.43Å; A50-L89 HydrophobicContact CB-CD2 3.54Å; L89-W122 HydrophobicContact CB-CH2 4.4Å; L89-W122 HydrophobicContact CB-CZ2 3.57Å; L89-W122 HydrophobicContact CD1-CZ2 4.38Å; L89-W122 HydrophobicContact CD2-CZ2 3.89Å; L89-W122 HydrophobicContact CG-CZ2 4.15Å
90K32.7Very low53.2Low100 Ų10078.4 Ų78.444%0.43542%0.418SS..  trans85.2-18.5168.7-143.5178.8-173.5-178.70121.2R87 V422R87-K90 VanDerWaalsContact CD-C 3.42Å; R87-K90 WeakPolarHBondContact CD-O 3.34Å; R87-K90 PolarHBondContact NH1-O 3.07Å; K90-V422 HydrophobicContact CD-CG1 4.18Å; K90-V422 PolarHBondContact NZ-O 3Å
91N31.7Very low50.3Low92 Ų9282 Ų8249%0.49245%0.449SS..  trans-160.198.4-173.8-15031.8000120.1M93N91-M93 WeakPolarHBondContact OD1-CB 3.26Å; N91-M93 VanDerWaalsContact OD1-CG 3.31Å; N91-M93 WeakPolarHBondContact OD1-CG 3.36Å; N91-M93 PolarHBondContact OD1-SD 3.24Å
92T28.5Very low47.7Very low53 Ų5385 Ų8533%0.32547%0.465SS..  trans-162.876.2161.6-30.60000108.3L94T92-L94 VanDerWaalsContact C-N 3.33Å; T92-L94 HydrophobicContact CG2-CB 4.33Å; T92-L94 HydrophobicContact CG2-CD1 3.8Å; T92-L94 HydrophobicContact CG2-CG 4.34Å
93M28.8Very low45.6Very low51 Ų5184.1 Ų84.125%0.25146%0.463SS..  cis65.41136-69.4-163.151.300116.7R87 N91 Y477 H481 R584R87-M93 VanDerWaalsContact NH2-CG 3.35Å; N91-M93 WeakPolarHBondContact OD1-CB 3.26Å; N91-M93 VanDerWaalsContact OD1-CG 3.31Å; N91-M93 WeakPolarHBondContact OD1-CG 3.36Å; N91-M93 PolarHBondContact OD1-SD 3.24Å; M93-Y477 HydrophobicContact CE-CD2 3.85Å; M93-Y477 HydrophobicContact CE-CE2 3.48Å; M93-Y477 VanDerWaalsContact CE-CE2 3.48Å; M93-Y477 HydrophobicContact SD-CE2 3.98Å; M93-H481 WeakPolarHBondContact CE-CE1 3.46Å; M93-H481 WeakPolarHBondContact CE-NE2 3.38Å; M93-R584 PolarHBondContact SD-NH2 2.9Å
94L29.1Very low43.2Very low92 Ų9285.8 Ų85.848%0.48247%0.472SS..  trans-124.4129.7173.8-78.6162.3000108.9M42 T92M42-L94 HydrophobicContact CB-CD1 4.32Å; T92-L94 VanDerWaalsContact C-N 3.33Å; T92-L94 HydrophobicContact CG2-CB 4.33Å; T92-L94 HydrophobicContact CG2-CD1 3.8Å; T92-L94 HydrophobicContact CG2-CG 4.34Å
95N28.2Very low41.2Very low127 Ų12781.7 Ų81.768%0.67947%0.466SS*.  trans89.1121157.2-43.5-23000114.1
96V30.7Very low39.8Very low137 Ų13782.9 Ų82.983%0.8347%0.472SS*.  cis-151.6147.418.9-174.10000108.6
97D31.4Very low39.3Very low144 Ų14486 Ų8677%0.7747%0.473SS*.  trans-88.8110.8-173.3-158.12.8000111.3
98A31.6Very low39.9Very low63 Ų6385.2 Ų85.252%0.52147%0.472SS..  trans-15428.3173.800000112.4L102A98-L102 WeakPolarHBondContact O-CD1 3.22Å
99T40Very low40.7Very low39 Ų3985.8 Ų85.824%0.23948%0.475CS..Hα-helixtrans-89.2-19-154.6200000117.7D103 R575T99-D103 VanDerWaalsContact O-CG 3.25Å; T99-R575 VanDerWaalsContact CG2-CZ 3.48Å; T99-R575 PolarHBondContact O-NH1 3.05Å; T99-R575 VanDerWaalsContact O-NH1 3.13Å
100E38.1Very low42.4Very low120 Ų12087.8 Ų87.856%0.56148%0.483SS*.Hα-helixtrans-85.9-37.9-174-74-177.8162.700113.5L102 N483E100-L102 PolarHBondContact O-N 3Å; E100-N483 WeakPolarHBondContact OE1-CB 3.16Å; E100-N483 PolarHBondContact OE1-ND2 3.38Å
101A34.9Very low44.3Very low86 Ų8691.1 Ų91.171%0.71150%0.5SS*.Hα-helixtrans-72.6-28.5178.900000113.3
102L38.2Very low46.3Very low98 Ų9892.2 Ų92.251%0.51351%0.513SS..Hα-helixtrans-79.2-28.3179.1-73.9169.3000113A98 E100 E104 A105 M106A98-L102 WeakPolarHBondContact O-CD1 3.22Å; E100-L102 PolarHBondContact O-N 3Å; L102-E104 PolarHBondContact O-N 3.05Å; L102-A105 PolarHBondContact O-N 3.26Å; L102-M106 HydrophobicContact CD2-CG 4.24Å; L102-M106 PolarHBondContact O-N 3.25Å
103D46.5Very low48.7Very low61 Ų6196 Ų9633%0.32653%0.531SS..Hα-helixtrans-67-26.4179.3-82.3-15.5000112.1T99 R575T99-D103 VanDerWaalsContact O-CG 3.25Å; D103-R575 VanDerWaalsContact OD1-CD 3.27Å; D103-R575 WeakPolarHBondContact OD1-CD 3.47Å; D103-R575 IonicContact OD1-CZ 2.7Å; D103-R575 IonicContact OD1-NE 2.74Å; D103-R575 PolarHBondContact OD1-NE 2.89Å; D103-R575 IonicContact OD1-NH1 3.92Å; D103-R575 PolarHBondContact OD1-NH1 3.17Å; D103-R575 IonicContact OD1-NH2 3.46Å; D103-R575 IonicContact OD2-CZ 3.22Å; D103-R575 IonicContact OD2-NE 2.7Å; D103-R575 IonicContact OD2-NH1 3.36Å; D103-R575 PolarHBondContact OD2-NH1 2.84Å; D103-R575 IonicContact OD2-NH2 2.88Å; D103-R575 PolarHBondContact OD2-NH2 3.33Å
104E40.2Very low51.2Low119 Ų11999.8 Ų99.856%0.55655%0.548SS*.Hα-helixtrans-76.7-35-180-170.3162.2-153.600113.1L102 R557L102-E104 PolarHBondContact O-N 3.05Å; E104-R557 IonicContact OE1-NH1 3.78Å; E104-R557 PolarHBondContact OE1-NH1 2.98Å; E104-R557 VanDerWaalsContact OE1-NH1 3.15Å
105A43.7Very low53.9Low67 Ų67102.2 Ų102.255%0.55455%0.551SS**Hα-helixtrans-99.4-31.5-170.400000114.6L102L102-A105 PolarHBondContact O-N 3.26Å
106M51.2Low56.7Low96 Ų96100 Ų10047%0.47354%0.538SS..  trans-107.2148.4-155.8-62-64.1-76.600115.5L102 V109L102-M106 HydrophobicContact CD2-CG 4.24Å; L102-M106 PolarHBondContact O-N 3.25Å; M106-V109 HydrophobicContact CB-CG2 3.96Å; M106-V109 HydrophobicContact CE-CG2 3.56Å; M106-V109 HydrophobicContact CG-CG2 4.4Å
107Y67.9Low59.2Low99 Ų9998.1 Ų98.139%0.38852%0.523SS..SBendtrans-62.6179.5159.8-69-97.1000110.2V109 M547 K550 L686Y107-V109 PolarHBondContact O-N 3.14Å; Y107-M547 HydrophobicContact CE1-SD 3.77Å; Y107-K550 HydrophobicContact CD1-CB 4.3Å; Y107-K550 HydrophobicContact CE1-CB 4.41Å; Y107-K550 HydrophobicContact CE1-CG 4.43Å; Y107-L686 WeakPolarHBondContact OH-CD1 3.41Å
108Q73.5Confident61.7Low36 Ų3698.5 Ų98.517%0.16852%0.515CS..PPolyproline II helixtrans-55.1118.4160.1-176.2-179.5-83.400108.6E110 A538 I549Q108-E110 PolarHBondContact NE2-OE1 2.97Å; Q108-A538 PolarHBondContact NE2-O 3.11Å; Q108-I549 HydrophobicContact CB-CD1 4.19Å; Q108-I549 VanDerWaalsContact OE1-CD1 3.28Å
109V71.1Confident64.2Low81 Ų8197.6 Ų97.649%0.49151%0.512SS..PPolyproline II helixtrans-99.1130.7170.6-177.70000107.7M106 Y107M106-V109 HydrophobicContact CB-CG2 3.96Å; M106-V109 HydrophobicContact CE-CG2 3.56Å; M106-V109 HydrophobicContact CG-CG2 4.4Å; Y107-V109 PolarHBondContact O-N 3.14Å
110E72.6Confident66.6Low82 Ų8297.1 Ų97.138%0.38351%0.508SS..PPolyproline II helixtrans-95.6124.4174.6-6583.4-154.400110.3Q108 P540 K546Q108-E110 PolarHBondContact NE2-OE1 2.97Å; E110-P540 HydrophobicContact CG-CB 4.47Å; E110-P540 HydrophobicContact CG-CG 4.21Å; E110-K546 VanDerWaalsContact CD-NZ 3.25Å; E110-K546 WeakPolarHBondContact OE1-CE 3.41Å; E110-K546 IonicContact OE1-NZ 2.92Å; E110-K546 PolarHBondContact OE1-NZ 3.19Å; E110-K546 IonicContact OE2-NZ 3.98Å; E110-K546 PolarHBondContact OE2-NZ 3.24Å
111E71.8Confident68.8Low170 Ų17092.3 Ų92.379%0.79449%0.487SS*.  trans-113.4142.6168.5-68.7177.4175.900109D113E111-D113 PolarHBondContact O-N 3.28Å
112P75.2Confident71.3Confident115 Ų11588.8 Ų88.875%0.74746%0.456SS*.  trans-55.9135.7173.5-24.434.3000111.8E114P112-E114 PolarHBondContact O-N 2.98Å
113D78.6Confident73.9Confident133 Ų13386.3 Ų86.371%0.71144%0.442SS*.  trans-81.995.6173-172.78.3000109.6E111 W115E111-D113 PolarHBondContact O-N 3.28Å; D113-W115 PolarHBondContact O-N 3.14Å
114E80.5Confident76.1Confident130 Ų13087.8 Ų87.861%0.60745%0.445SS*.  trans-80.644.3179-56.7-164142.200112.8P112 L116 L117P112-E114 PolarHBondContact O-N 2.98Å; E114-L116 PolarHBondContact O-N 2.97Å; E114-L117 HydrophobicContact CB-CB 4.07Å; E114-L117 WeakPolarHBondContact O-CB 3.4Å; E114-L117 PolarHBondContact O-N 3.02Å
115W85.3Confident78.8Confident143 Ų14385.9 Ų85.954%0.54244%0.436SS..THydrogen-bonded Turntrans-59.3-21.4-176.172.7-75.7000114.3D113 N120D113-W115 PolarHBondContact O-N 3.14Å; W115-N120 HydrophobicContact CZ3-CB 4.2Å
116L86.7Confident81.2Confident80 Ų8086.1 Ų86.142%0.41942%0.423SS..THydrogen-bonded Turntrans-93-2175.9-68176.1000114.4E114 Y118 G119 N120E114-L116 PolarHBondContact O-N 2.97Å; L116-Y118 PolarHBondContact O-N 3.23Å; L116-G119 PolarHBondContact O-N 3.33Å; L116-N120 HydrophobicContact CD2-CB 3.73Å
117L84.2Confident83.2Confident98 Ų9885 Ų8551%0.51342%0.423SS..THydrogen-bonded Turntrans-52.1-36.1-176.7178.661.9000113E114E114-L117 HydrophobicContact CB-CB 4.07Å; E114-L117 WeakPolarHBondContact O-CB 3.4Å; E114-L117 PolarHBondContact O-N 3.02Å
118Y82.9Confident84.5Confident152 Ų15286.3 Ų86.360%0.59643%0.432SS*.THydrogen-bonded Turntrans-108.616.1-178.4-55.7-67.1000113.2R43 L116R43-Y118 VanDerWaalsContact CZ-CD2 3.4Å; R43-Y118 VanDerWaalsContact CZ-CE2 3.46Å; R43-Y118 VanDerWaalsContact NH2-CD2 3.27Å; L116-Y118 PolarHBondContact O-N 3.23Å
119G85.9Confident85.4Confident45 Ų4585.6 Ų85.646%0.46443%0.431SS..  trans73.5163.6-17300000113.4L116L116-G119 PolarHBondContact O-N 3.33Å
120N88.7Confident86.6Confident29 Ų2984.2 Ų84.216%0.15542%0.423CS..  trans-112.4109.9175.5172.815.6000109.5W115 L116 W122 E123W115-N120 HydrophobicContact CZ3-CB 4.2Å; L116-N120 HydrophobicContact CD2-CB 3.73Å; N120-W122 PolarHBondContact O-N 3.42Å; N120-W122 VanDerWaalsContact O-N 3.1Å; N120-W122 WeakPolarHBondContact OD1-CB 3.37Å; N120-W122 VanDerWaalsContact OD1-CD1 3.25Å; N120-W122 PolarHBondContact OD1-N 2.83Å; N120-W122 VanDerWaalsContact OD1-N 3.09Å; N120-E123 HydrophobicContact CB-CG 3.93Å; N120-E123 PolarHBondContact ND2-OE2 2.84Å; N120-E123 PolarHBondContact O-N 2.74Å
121P85.6Confident87.8Confident19 Ų1981.9 Ų81.912%0.12341%0.411CS..THydrogen-bonded Turntrans-71.2-6.2-176.930-35.7000113.7Y46 A50Y46-P121 HydrophobicContact CE1-CG 4.24Å; A50-P121 HydrophobicContact CB-CB 3.9Å; A50-P121 HydrophobicContact CB-CG 3.77Å
122W87.9Confident88.9Confident12 Ų1276.9 Ų76.95%0.04539%0.389CS..THydrogen-bonded Turntrans-92.6-24.4-177.8-55.1102.1000113.5A50 V53 L57 T88 L89 N120 V162 P163A50-W122 HydrophobicContact CB-CH2 4.05Å; A50-W122 HydrophobicContact CB-CZ2 3.61Å; V53-W122 HydrophobicContact CB-CH2 4.15Å; V53-W122 HydrophobicContact CB-CZ3 4.39Å; V53-W122 HydrophobicContact CG1-CH2 4.16Å; V53-W122 HydrophobicContact CG1-CZ3 4.12Å; L57-W122 HydrophobicContact CD1-CZ3 4.27Å; T88-W122 HydrophobicContact CG2-CD2 3.73Å; T88-W122 HydrophobicContact CG2-CE3 3.97Å; T88-W122 HydrophobicContact CG2-CG 4.1Å; T88-W122 HydrophobicContact CG2-CZ3 4.45Å; L89-W122 HydrophobicContact CB-CH2 4.4Å; L89-W122 HydrophobicContact CB-CZ2 3.57Å; L89-W122 HydrophobicContact CD1-CZ2 4.38Å; L89-W122 HydrophobicContact CD2-CZ2 3.89Å; L89-W122 HydrophobicContact CG-CZ2 4.15Å; N120-W122 PolarHBondContact O-N 3.42Å; N120-W122 VanDerWaalsContact O-N 3.1Å; N120-W122 WeakPolarHBondContact OD1-CB 3.37Å; N120-W122 VanDerWaalsContact OD1-CD1 3.25Å; N120-W122 PolarHBondContact OD1-N 2.83Å; N120-W122 VanDerWaalsContact OD1-N 3.09Å; W122-V162 HydrophobicContact CB-CG1 4.29Å; W122-P163 WeakPolarHBondContact O-CD 3.23Å
123E92Very high89.9Confident46 Ų4671.4 Ų71.422%0.21535%0.353CS..  trans-88150.9-176.271.6-164.6-170.100112.5N120 Y160 E161 V162N120-E123 HydrophobicContact CB-CG 3.93Å; N120-E123 PolarHBondContact ND2-OE2 2.84Å; N120-E123 PolarHBondContact O-N 2.74Å; E123-Y160 HydrophobicContact CB-CD1 4.27Å; E123-Y160 HydrophobicContact CG-CD1 3.84Å; E123-Y160 HydrophobicContact CG-CE1 4.49Å; E123-E161 CarbonylContact C-O 3.5Å; E123-E161 VanDerWaalsContact CA-O 3.27Å; E123-E161 WeakPolarHBondContact CA-O 3.43Å; E123-V162 HydrophobicContact CB-CG2 4.06Å
124K93.7Very high90.8Very high91 Ų9167.7 Ų67.740%0.39633%0.331SS..EExtended strand (participates in β ladder)trans-123.7115.8170.2178.257-176.71630109.1E161K124-E161 PolarHBondContact N-O 3.31Å; K124-E161 PolarHBondContact O-N 3.46Å
125E95Very high91.5Very high80 Ų8061.5 Ų61.537%0.37430%0.303SS..EExtended strand (participates in β ladder)trans-66.8138.9171.1-164.5-177.2144.500111L158 Y160E125-L158 HydrophobicContact CG-CD1 4Å; E125-L158 HydrophobicContact CG-CD2 4.1Å; E125-L158 HydrophobicContact CG-CG 4.17Å; E125-L158 WeakPolarHBondContact OE1-CD2 3.23Å; E125-Y160 HydrophobicContact CB-CD1 4.01Å; E125-Y160 HydrophobicContact CB-CE1 3.59Å; E125-Y160 HydrophobicContact CG-CD1 4.32Å; E125-Y160 HydrophobicContact CG-CE1 3.7Å; E125-Y160 HydrophobicContact CG-CE2 4.22Å; E125-Y160 PolarHBondContact OE2-OH 3.1Å
126R94.8Very high92.1Very high71 Ų7156.8 Ų56.827%0.26829%0.285SS..  trans-127.266.5-178.4-64.6-64.1-173.2176.23.7111.4E128 S129 P159 E161R126-E128 WeakPolarHBondContact CA-OE2 3.39Å; R126-E128 WeakPolarHBondContact CD-OE1 3.37Å; R126-E128 IonicContact NH1-OE1 3.53Å; R126-E128 PolarHBondContact O-N 3.35Å; R126-E128 VanDerWaalsContact O-N 3.12Å; R126-S129 PolarHBondContact O-N 3.16Å; R126-P159 HydrophobicContact CB-CB 4.49Å; R126-P159 HydrophobicContact CB-CG 4Å; R126-P159 PolarHBondContact N-O 3.33Å; R126-P159 WeakPolarHBondContact O-CG 3.2Å; R126-E161 HydrophobicContact CG-CG 3.94Å; R126-E161 IonicContact CZ-OE2 3.48Å; R126-E161 IonicContact NE-OE2 2.77Å; R126-E161 PolarHBondContact NE-OE2 2.95Å; R126-E161 IonicContact NH2-OE2 3.34Å; R126-E161 PolarHBondContact NH2-OE2 3.11Å
127P94.1Very high92.5Very high73 Ų7354.4 Ų54.447%0.47428%0.28SS..G310 helixtrans-57.4-29.3-17726.1-35.4000113.3S129 T130 L158P127-S129 PolarHBondContact O-N 3.02Å; P127-T130 WeakPolarHBondContact O-CB 3.49Å; P127-T130 PolarHBondContact O-N 2.85Å; P127-T130 PolarHBondContact O-OG1 3.39Å; P127-L158 HydrophobicContact CB-CD1 4.09Å
128E93.6Very high93.1Very high127 Ų12755.9 Ų55.959%0.59328%0.279SS*.G310 helixtrans-61.9-19175.469.7-84.8-160.700114.2R126R126-E128 WeakPolarHBondContact CA-OE2 3.39Å; R126-E128 WeakPolarHBondContact CD-OE1 3.37Å; R126-E128 IonicContact NH1-OE1 3.53Å; R126-E128 PolarHBondContact O-N 3.35Å; R126-E128 VanDerWaalsContact O-N 3.12Å
129S94.1Very high93.8Very high21 Ų2150.2 Ų50.215%0.14726%0.26CS..G310 helixtrans-106.517.4-179.1-61.20000113.1R126 P127R126-S129 PolarHBondContact O-N 3.16Å; P127-S129 PolarHBondContact O-N 3.02Å
130T96.4Very high94.3Very high52 Ų5251 Ų5132%0.31925%0.253SS..  trans-60.1135.8179.3-60.20000111.6P127 C156 A157P127-T130 WeakPolarHBondContact O-CB 3.49Å; P127-T130 PolarHBondContact O-N 2.85Å; P127-T130 PolarHBondContact O-OG1 3.39Å; T130-C156 HydrophobicContact CG2-CB 3.84Å; T130-A157 WeakPolarHBondContact CA-O 3.46Å
131R96Very high94.5Very high33 Ų3356 Ų5613%0.12527%0.27CS..EExtended strand (participates in β ladder)trans-111.3160.1175.5-55.3-57.3175.4-151.8-1.6111.5C156 A157 W178 A236 Q239 D240 Y243R131-C156 CarbonylContact O-C 3.47Å; R131-C156 WeakPolarHBondContact O-CA 3.28Å; R131-A157 HydrophobicContact CB-CB 4.36Å; R131-A157 PolarHBondContact N-O 3.04Å; R131-A157 PolarHBondContact O-N 3.09Å; R131-W178 HydrophobicContact CG-CH2 3.99Å; R131-W178 HydrophobicContact CG-CZ3 4.1Å; R131-A236 HydrophobicContact CB-CB 4.49Å; R131-Q239 HydrophobicContact CG-CB 4.19Å; R131-D240 IonicContact CZ-OD1 2.64Å; R131-D240 IonicContact NE-OD1 3.68Å; R131-D240 IonicContact NH2-OD1 3.38Å; R131-D240 PolarHBondContact NH2-OD1 3.13Å; R131-Y243 VanDerWaalsContact NH2-CG 3.31Å
132I95.9Very high94.7Very high65 Ų6557.6 Ų57.633%0.33328%0.277SS..EExtended strand (participates in β ladder)trans-108.2122176.4-60.7175.8000107.9T154 Q239I132-T154 HydrophobicContact CG2-CG2 3.94Å; I132-Q239 PolarHBondContact O-NE2 3.06Å; I132-Q239 PolarHBondContact O-OE1 2.98Å
133V97Very high94.6Very high0 Ų065.3 Ų65.30%031%0.313CS..EExtended strand (participates in β ladder)trans-105.6135175-178.60000108.8F135 T154 I155 A157 Y231 F232 A236V133-F135 HydrophobicContact CB-CE2 4.39Å; V133-F135 HydrophobicContact CG1-CD2 4.42Å; V133-F135 HydrophobicContact CG1-CE2 3.67Å; V133-F135 HydrophobicContact CG1-CZ 3.74Å; V133-T154 WeakPolarHBondContact O-CA 3.42Å; V133-I155 PolarHBondContact N-O 3.46Å; V133-I155 PolarHBondContact O-N 2.69Å; V133-A157 HydrophobicContact CG2-CB 4.13Å; V133-Y231 HydrophobicContact CG1-CD1 3.89Å; V133-Y231 HydrophobicContact CG1-CE1 3.79Å; V133-F232 HydrophobicContact CB-CD2 4.04Å; V133-F232 HydrophobicContact CG1-CD2 4.26Å; V133-F232 HydrophobicContact CG2-CD2 3.81Å; V133-F232 HydrophobicContact CG2-CE2 4.13Å; V133-A236 HydrophobicContact CG2-CB 4.15Å
134Q96.2Very high94.3Very high54 Ų5468.4 Ų68.425%0.25233%0.331SS..EExtended strand (participates in β ladder)trans-103146.3-178.3-72.9175.1-19.900111.3W149 T152 E153 T154 Y231Q134-W149 HydrophobicContact CB-CE3 3.95Å; Q134-W149 HydrophobicContact CB-CH2 3.72Å; Q134-W149 HydrophobicContact CB-CZ2 4.37Å; Q134-W149 HydrophobicContact CB-CZ3 3.46Å; Q134-W149 VanDerWaalsContact CB-CZ3 3.46Å; Q134-W149 WeakPolarHBondContact O-CH2 3.43Å; Q134-W149 VanDerWaalsContact OE1-CE3 3.28Å; Q134-T152 HydrophobicContact CB-CG2 4.02Å; Q134-T152 HydrophobicContact CG-CG2 4.32Å; Q134-T152 WeakPolarHBondContact CG-OG1 3.37Å; Q134-E153 CarbonylContact C-O 3.42Å; Q134-E153 VanDerWaalsContact CA-O 3.3Å; Q134-E153 WeakPolarHBondContact CA-O 3.29Å; Q134-T154 HydrophobicContact CG-CG2 4.1Å; Q134-Y231 WeakPolarHBondContact O-CE1 3.26Å
135F95.9Very high93.7Very high0 Ų069.1 Ų69.10%034%0.339CS..EExtended strand (participates in β ladder)trans-137.9158.6172.1-65-78000110.6V133 T152 E153 I155 I209 K228 Y231 F232 V323V133-F135 HydrophobicContact CB-CE2 4.39Å; V133-F135 HydrophobicContact CG1-CD2 4.42Å; V133-F135 HydrophobicContact CG1-CE2 3.67Å; V133-F135 HydrophobicContact CG1-CZ 3.74Å; F135-T152 CarbonylContact O-C 3.56Å; F135-T152 VanDerWaalsContact O-CA 3.27Å; F135-T152 WeakPolarHBondContact O-CA 3.1Å; F135-T152 WeakPolarHBondContact O-CB 3.44Å; F135-E153 PolarHBondContact N-O 3.24Å; F135-E153 PolarHBondContact O-N 3.48Å; F135-I155 HydrophobicContact CD2-CD1 3.91Å; F135-I155 HydrophobicContact CD2-CG1 4.35Å; F135-I155 HydrophobicContact CE2-CB 4.47Å; F135-I155 HydrophobicContact CE2-CD1 3.81Å; F135-I155 HydrophobicContact CE2-CG1 4.37Å; F135-I209 HydrophobicContact CE2-CD1 3.81Å; F135-I209 HydrophobicContact CZ-CD1 3.95Å; F135-K228 HydrophobicContact CD1-CG 3.94Å; F135-K228 HydrophobicContact CE1-CB 3.84Å; F135-K228 HydrophobicContact CE1-CG 3.75Å; F135-K228 HydrophobicContact CZ-CB 4.09Å; F135-K228 HydrophobicContact CZ-CG 4.32Å; F135-Y231 HydrophobicContact CD1-CD1 4.06Å; F135-Y231 AromaticContact CE1-CD1 3.52Å; F135-Y231 HydrophobicContact CE1-CD1 3.52Å; F135-Y231 HydrophobicContact CE1-CE1 4.46Å; F135-Y231 HydrophobicContact CE1-CG 4.27Å; F135-Y231 HydrophobicContact CZ-CD1 4.03Å; F135-F232 HydrophobicContact CZ-CB 4.2Å; F135-V323 HydrophobicContact CD1-CG1 3.9Å
136Y96.7Very high93.4Very high44 Ų4469.4 Ų69.417%0.17334%0.34CS..SBendtrans59.3-134.9177.3-51.4-70.1000113.4W149 E153 E224 K228 R322 V323 P325Y136-W149 VanDerWaalsContact O-CE2 3.26Å; Y136-W149 WeakPolarHBondContact O-CZ2 3.04Å; Y136-W149 PolarHBondContact O-NE1 3.41Å; Y136-E153 HydrophobicContact CD2-CB 4.21Å; Y136-E153 HydrophobicContact CD2-CG 3.96Å; Y136-E153 VanDerWaalsContact CE2-OE2 3.32Å; Y136-E153 WeakPolarHBondContact CE2-OE2 3.26Å; Y136-E224 VanDerWaalsContact CE1-OE1 3.25Å; Y136-E224 WeakPolarHBondContact CE1-OE1 3.21Å; Y136-E224 VanDerWaalsContact CZ-OE1 3.25Å; Y136-E224 PolarHBondContact OH-OE1 3.05Å; Y136-K228 WeakPolarHBondContact OH-CE 3.42Å; Y136-K228 PolarHBondContact OH-NZ 2.88Å; Y136-R322 HydrophobicContact CD1-CG 4.28Å; Y136-R322 HydrophobicContact CE1-CG 4.47Å; Y136-V323 WeakPolarHBondContact CA-O 3.49Å; Y136-V323 HydrophobicContact CD1-CG2 4.39Å; Y136-V323 HydrophobicContact CE1-CG2 3.93Å; Y136-V323 PolarHBondContact N-O 2.87Å; Y136-P325 WeakPolarHBondContact O-CD 3.49Å
137G95.7Very high93.3Very high31 Ų3166.5 Ų66.532%0.3233%0.33SS..  trans68.7-155.9-179.700000113.7I150 D151G137-I150 CarbonylContact C-O 3.56Å; G137-I150 VanDerWaalsContact CA-O 3.24Å; G137-I150 WeakPolarHBondContact CA-O 3.44Å; G137-D151 WeakPolarHBondContact CA-O 3.38Å
138R97.3Very high93.3Very high129 Ų12968.9 Ų68.949%0.48733%0.334SS..EExtended strand (participates in β ladder)trans-150.4160.7-177.162.9-177.3174.9101.86.6111.8I140 I150 D151R138-I140 VanDerWaalsContact NH1-CG2 3.26Å; R138-I150 HydrophobicContact CG-CG1 4.12Å; R138-I150 PolarHBondContact N-O 2.91Å; R138-I150 PolarHBondContact O-N 2.95Å; R138-D151 IonicContact CZ-OD2 3.61Å; R138-D151 IonicContact NE-OD2 2.65Å; R138-D151 PolarHBondContact NE-OD2 3.41Å; R138-D151 IonicContact NH2-OD2 3.27Å; R138-D151 PolarHBondContact NH2-OD2 3.35Å
139V97.1Very high93.5Very high33 Ų3363.7 Ų63.720%0.231%0.309CS..EExtended strand (participates in β ladder)trans-94.6131.3174.8-173.50000109.5C147 K148 P325 R326V139-C147 HydrophobicContact CG1-CB 3.88Å; V139-K148 WeakPolarHBondContact CA-O 3.46Å; V139-P325 HydrophobicContact CG2-CB 4.36Å; V139-R326 HydrophobicContact CG2-CB 3.73Å; V139-R326 HydrophobicContact CG2-CG 4.37Å
140I96.1Very high93.6Very high62 Ų6264.9 Ų64.932%0.31831%0.313SS..EExtended strand (participates in β ladder)trans-112.2147.916559.1164.2000109.4R138 C147 K148 I150R138-I140 VanDerWaalsContact NH1-CG2 3.26Å; I140-C147 CarbonylContact O-C 3.47Å; I140-C147 WeakPolarHBondContact O-CA 3.49Å; I140-K148 HydrophobicContact CD1-CB 4.31Å; I140-K148 HydrophobicContact CG1-CB 3.88Å; I140-K148 PolarHBondContact N-O 2.94Å; I140-K148 PolarHBondContact O-N 3.47Å; I140-I150 HydrophobicContact CB-CD1 4.42Å; I140-I150 HydrophobicContact CD1-CD1 3.78Å; I140-I150 HydrophobicContact CD1-CG1 4.4Å; I140-I150 HydrophobicContact CD1-CG2 4.19Å; I140-I150 HydrophobicContact CG1-CD1 3.96Å; I140-I150 HydrophobicContact CG1-CG1 4.14Å; I140-I150 HydrophobicContact CG1-CG2 4.23Å; I140-I150 HydrophobicContact CG2-CD1 3.6Å; I140-I150 HydrophobicContact CG2-CG1 4.06Å
141R94.1Very high93.5Very high134 Ų13467.5 Ų67.551%0.50633%0.325SS..EExtended strand (participates in β ladder)trans-114135.4174.5-60.2-170.7-176.1-164.74109.4D145 Q146 E329R141-D145 WeakPolarHBondContact CD-OD1 3.45Å; R141-D145 IonicContact NH1-OD1 2.8Å; R141-D145 PolarHBondContact NH1-OD1 3.37Å; R141-Q146 WeakPolarHBondContact CA-O 3.47Å; R141-E329 IonicContact CZ-OE1 3.66Å; R141-E329 IonicContact NE-OE1 2.95Å; R141-E329 IonicContact NH2-OE1 3.43Å; R141-E329 PolarHBondContact NH2-OE1 3.09Å; R141-E329 IonicContact NH2-OE2 2.72Å
142N88.8Confident93.4Very high51 Ų5167.3 Ų67.327%0.27333%0.327SS..  trans-86.1179.2172.873.58.7000111L144 D145 Q146N142-L144 PolarHBondContact O-N 3.47Å; N142-L144 WeakPolarHBondContact OD1-CA 3.48Å; N142-L144 WeakPolarHBondContact OD1-CB 3.47Å; N142-L144 PolarHBondContact OD1-N 2.95Å; N142-D145 PolarHBondContact O-N 2.74Å; N142-D145 VanDerWaalsContact O-N 3.07Å; N142-D145 PolarHBondContact OD1-N 3Å; N142-Q146 PolarHBondContact N-O 2.93Å; N142-Q146 PolarHBondContact ND2-OE1 2.92Å; N142-Q146 WeakPolarHBondContact OD1-CB 3.32Å; N142-Q146 PolarHBondContact OD1-N 3.32Å; N142-Q146 PolarHBondContact OD1-O 2.96Å
143H87.3Confident93.1Very high175 Ų17569.3 Ų69.381%0.8134%0.335SS*.THydrogen-bonded Turntrans-66.5-11.7179.158.4-86000114.2
144L83.8Confident92.9Very high110 Ų11071.3 Ų71.358%0.57635%0.347SS*.THydrogen-bonded Turntrans-98.914174.6-56.5176.2000111.9N142 Q146N142-L144 PolarHBondContact O-N 3.47Å; N142-L144 WeakPolarHBondContact OD1-CA 3.48Å; N142-L144 WeakPolarHBondContact OD1-CB 3.47Å; N142-L144 PolarHBondContact OD1-N 2.95Å; L144-Q146 HydrophobicContact CB-CG 4.15Å; L144-Q146 PolarHBondContact O-N 3.24Å; L144-Q146 VanDerWaalsContact O-N 3.1Å
145D81.8Confident92.7Very high107 Ų10769.2 Ų69.257%0.57234%0.338SS*.  trans57.916.5-173.8-157.335000114.6R141 N142R141-D145 WeakPolarHBondContact CD-OD1 3.45Å; R141-D145 IonicContact NH1-OD1 2.8Å; R141-D145 PolarHBondContact NH1-OD1 3.37Å; N142-D145 PolarHBondContact O-N 2.74Å; N142-D145 VanDerWaalsContact O-N 3.07Å; N142-D145 PolarHBondContact OD1-N 3Å
146Q87.8Confident92.6Very high86 Ų8670.3 Ų70.340%0.40235%0.345SS..  trans-77128.9172.9-56174.4-4400109.7R141 N142 L144R141-Q146 WeakPolarHBondContact CA-O 3.47Å; N142-Q146 PolarHBondContact N-O 2.93Å; N142-Q146 PolarHBondContact ND2-OE1 2.92Å; N142-Q146 WeakPolarHBondContact OD1-CB 3.32Å; N142-Q146 PolarHBondContact OD1-N 3.32Å; N142-Q146 PolarHBondContact OD1-O 2.96Å; L144-Q146 HydrophobicContact CB-CG 4.15Å; L144-Q146 PolarHBondContact O-N 3.24Å; L144-Q146 VanDerWaalsContact O-N 3.1Å
147C94.1Very high92.7Very high9 Ų968.2 Ų68.26%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-86.8139.6179.9-66.20000110.8V139 I140V139-C147 HydrophobicContact CG1-CB 3.88Å; I140-C147 CarbonylContact O-C 3.47Å; I140-C147 WeakPolarHBondContact O-CA 3.49Å
148K94.3Very high92.7Very high124 Ų12467.3 Ų67.354%0.53933%0.325SS..EExtended strand (participates in β ladder)trans-125.7131.8166.8-65.3-174.6176.8-177.20109.9V139 I140 I150V139-K148 WeakPolarHBondContact CA-O 3.46Å; I140-K148 HydrophobicContact CD1-CB 4.31Å; I140-K148 HydrophobicContact CG1-CB 3.88Å; I140-K148 PolarHBondContact N-O 2.94Å; I140-K148 PolarHBondContact O-N 3.47Å; K148-I150 HydrophobicContact CB-CG2 4.07Å
149W96.9Very high92.7Very high18 Ų1861.2 Ų61.27%0.06830%0.302CS..EExtended strand (participates in β ladder)trans-89.9113.4172.7-170.124.6000109.4Q134 Y136 T152 Y231 L324 R326 H327Q134-W149 HydrophobicContact CB-CE3 3.95Å; Q134-W149 HydrophobicContact CB-CH2 3.72Å; Q134-W149 HydrophobicContact CB-CZ2 4.37Å; Q134-W149 HydrophobicContact CB-CZ3 3.46Å; Q134-W149 VanDerWaalsContact CB-CZ3 3.46Å; Q134-W149 WeakPolarHBondContact O-CH2 3.43Å; Q134-W149 VanDerWaalsContact OE1-CE3 3.28Å; Y136-W149 VanDerWaalsContact O-CE2 3.26Å; Y136-W149 WeakPolarHBondContact O-CZ2 3.04Å; Y136-W149 PolarHBondContact O-NE1 3.41Å; W149-T152 HydrophobicContact CD2-CG2 3.73Å; W149-T152 HydrophobicContact CE3-CG2 4.4Å; W149-T152 HydrophobicContact CG-CG2 3.89Å; W149-T152 HydrophobicContact CZ2-CG2 4.07Å; W149-Y231 HydrophobicContact CH2-CE1 4.2Å; W149-Y231 HydrophobicContact CZ3-CE1 4.42Å; W149-Y231 WeakPolarHBondContact CZ3-OH 3.48Å; W149-L324 HydrophobicContact CH2-CD2 3.83Å; W149-L324 HydrophobicContact CZ2-CD2 4.29Å; W149-R326 HydrophobicContact CB-CB 4.38Å; W149-R326 HydrophobicContact CG-CB 4.26Å; W149-H327 AromaticContact CH2-CE1 3.98Å; W149-H327 AromaticContact CZ3-CE1 3.73Å
150I95.9Very high92.7Very high45 Ų4561.6 Ų61.623%0.23130%0.3CS..EExtended strand (participates in β ladder)trans-129.9173.8-171.465.5160.6000111.4G137 R138 I140 K148 T152G137-I150 CarbonylContact C-O 3.56Å; G137-I150 VanDerWaalsContact CA-O 3.24Å; G137-I150 WeakPolarHBondContact CA-O 3.44Å; R138-I150 HydrophobicContact CG-CG1 4.12Å; R138-I150 PolarHBondContact N-O 2.91Å; R138-I150 PolarHBondContact O-N 2.95Å; I140-I150 HydrophobicContact CB-CD1 4.42Å; I140-I150 HydrophobicContact CD1-CD1 3.78Å; I140-I150 HydrophobicContact CD1-CG1 4.4Å; I140-I150 HydrophobicContact CD1-CG2 4.19Å; I140-I150 HydrophobicContact CG1-CD1 3.96Å; I140-I150 HydrophobicContact CG1-CG1 4.14Å; I140-I150 HydrophobicContact CG1-CG2 4.23Å; I140-I150 HydrophobicContact CG2-CD1 3.6Å; I140-I150 HydrophobicContact CG2-CG1 4.06Å; K148-I150 HydrophobicContact CB-CG2 4.07Å; I150-T152 PolarHBondContact O-N 3.21Å
151D94.3Very high92.7Very high107 Ų10759.4 Ų59.457%0.57229%0.288SS*.SBendtrans56.630.8-179.7-54.5-23.9000113G137 R138G137-D151 WeakPolarHBondContact CA-O 3.38Å; R138-D151 IonicContact CZ-OD2 3.61Å; R138-D151 IonicContact NE-OD2 2.65Å; R138-D151 PolarHBondContact NE-OD2 3.41Å; R138-D151 IonicContact NH2-OD2 3.27Å; R138-D151 PolarHBondContact NH2-OD2 3.35Å
152T93.8Very high92.6Very high29 Ų2953.6 Ų53.618%0.17827%0.268CS..  trans-84.8146.2-176.459.80000112.2Q134 F135 W149 I150Q134-T152 HydrophobicContact CB-CG2 4.02Å; Q134-T152 HydrophobicContact CG-CG2 4.32Å; Q134-T152 WeakPolarHBondContact CG-OG1 3.37Å; F135-T152 CarbonylContact O-C 3.56Å; F135-T152 VanDerWaalsContact O-CA 3.27Å; F135-T152 WeakPolarHBondContact O-CA 3.1Å; F135-T152 WeakPolarHBondContact O-CB 3.44Å; W149-T152 HydrophobicContact CD2-CG2 3.73Å; W149-T152 HydrophobicContact CE3-CG2 4.4Å; W149-T152 HydrophobicContact CG-CG2 3.89Å; W149-T152 HydrophobicContact CZ2-CG2 4.07Å; I150-T152 PolarHBondContact O-N 3.21Å
153E91.1Very high92.6Very high107 Ų10751.5 Ų51.550%0.526%0.257SS..EExtended strand (participates in β ladder)trans-71.1142.7160.2-68-175.7-17600110.1Q134 F135 Y136Q134-E153 CarbonylContact C-O 3.42Å; Q134-E153 VanDerWaalsContact CA-O 3.3Å; Q134-E153 WeakPolarHBondContact CA-O 3.29Å; F135-E153 PolarHBondContact N-O 3.24Å; F135-E153 PolarHBondContact O-N 3.48Å; Y136-E153 HydrophobicContact CD2-CB 4.21Å; Y136-E153 HydrophobicContact CD2-CG 3.96Å; Y136-E153 VanDerWaalsContact CE2-OE2 3.32Å; Y136-E153 WeakPolarHBondContact CE2-OE2 3.26Å
154T91.2Very high92.8Very high42 Ų4246 Ų4626%0.25823%0.233SC..EExtended strand (participates in β ladder)trans-123.2132.3-177.659.20000112.2I132 V133 Q134 R183I132-T154 HydrophobicContact CG2-CG2 3.94Å; V133-T154 WeakPolarHBondContact O-CA 3.42Å; Q134-T154 HydrophobicContact CG-CG2 4.1Å; T154-R183 VanDerWaalsContact OG1-CD 3.32Å; T154-R183 WeakPolarHBondContact OG1-CD 3.37Å; T154-R183 PolarHBondContact OG1-NH1 3.45Å
155I92.8Very high93Very high11 Ų1143.9 Ų43.96%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-124.9137.4179.4-61.2-179.7000108.5V133 F135 A180 A206 I209 F232V133-I155 PolarHBondContact N-O 3.46Å; V133-I155 PolarHBondContact O-N 2.69Å; F135-I155 HydrophobicContact CD2-CD1 3.91Å; F135-I155 HydrophobicContact CD2-CG1 4.35Å; F135-I155 HydrophobicContact CE2-CB 4.47Å; F135-I155 HydrophobicContact CE2-CD1 3.81Å; F135-I155 HydrophobicContact CE2-CG1 4.37Å; I155-A180 HydrophobicContact CG2-CB 3.99Å; I155-A206 HydrophobicContact CD1-CB 3.87Å; I155-A206 HydrophobicContact CG1-CB 3.94Å; I155-A206 HydrophobicContact CG2-CB 4.24Å; I155-I209 HydrophobicContact CD1-CD1 3.39Å; I155-F232 HydrophobicContact CG2-CD2 4.49Å; I155-F232 HydrophobicContact CG2-CE2 3.99Å
156C94.5Very high93.1Very high22 Ų2240.2 Ų40.215%0.14921%0.214CC..EExtended strand (participates in β ladder)trans-82.5131.4176.2-670000110.1T130 R131 A180 K181T130-C156 HydrophobicContact CG2-CB 3.84Å; R131-C156 CarbonylContact O-C 3.47Å; R131-C156 WeakPolarHBondContact O-CA 3.28Å; C156-A180 CarbonylContact O-C 3.46Å; C156-A180 WeakPolarHBondContact O-CA 3.48Å; C156-K181 HydrophobicContact CB-CB 4.11Å; C156-K181 WeakPolarHBondContact CB-O 3.2Å; C156-K181 PolarHBondContact N-O 3.28Å; C156-K181 PolarHBondContact O-N 3.25Å
157A97Very high93Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-101.5103.2171.100000109.9T130 R131 V133 W178 F232 A236T130-A157 WeakPolarHBondContact CA-O 3.46Å; R131-A157 HydrophobicContact CB-CB 4.36Å; R131-A157 PolarHBondContact N-O 3.04Å; R131-A157 PolarHBondContact O-N 3.09Å; V133-A157 HydrophobicContact CG2-CB 4.13Å; A157-W178 HydrophobicContact CB-CD2 4.4Å; A157-W178 HydrophobicContact CB-CE3 3.78Å; A157-W178 HydrophobicContact CB-CZ3 4.34Å; A157-W178 WeakPolarHBondContact O-CZ3 3.4Å; A157-F232 HydrophobicContact CB-CE1 4.28Å; A157-F232 HydrophobicContact CB-CE2 3.59Å; A157-F232 HydrophobicContact CB-CZ 3.46Å; A157-F232 VanDerWaalsContact CB-CZ 3.46Å; A157-A236 HydrophobicContact CB-CB 3.51Å
158L96.6Very high92.4Very high13 Ų1345.3 Ų45.37%0.06823%0.228CC..EExtended strand (participates in β ladder)trans-91118.4-179.4175.364000110E125 P127 Y160 A179 K181E125-L158 HydrophobicContact CG-CD1 4Å; E125-L158 HydrophobicContact CG-CD2 4.1Å; E125-L158 HydrophobicContact CG-CG 4.17Å; E125-L158 WeakPolarHBondContact OE1-CD2 3.23Å; P127-L158 HydrophobicContact CB-CD1 4.09Å; L158-Y160 HydrophobicContact CD2-CE2 3.78Å; L158-Y160 HydrophobicContact CG-CE2 3.91Å; L158-A179 HydrophobicContact CB-CB 4.46Å; L158-A179 PolarHBondContact N-O 3.18Å; L158-A179 PolarHBondContact O-N 2.89Å; L158-K181 HydrophobicContact CB-CG 4.2Å; L158-K181 HydrophobicContact CD2-CG 4.21Å
159P97.4Very high91.8Very high0 Ų042.5 Ų42.50%022%0.219CC..EExtended strand (participates in β ladder)trans-81.7138.4-178.922.1-20.9000113.4R126 R176 L177 W178R126-P159 HydrophobicContact CB-CB 4.49Å; R126-P159 HydrophobicContact CB-CG 4Å; R126-P159 PolarHBondContact N-O 3.33Å; R126-P159 WeakPolarHBondContact O-CG 3.2Å; P159-R176 HydrophobicContact CB-CG 3.97Å; P159-L177 CarbonylContact C-O 3.37Å; P159-L177 WeakPolarHBondContact CA-O 3.33Å; P159-W178 HydrophobicContact CB-CE3 3.78Å; P159-W178 HydrophobicContact CB-CH2 4.01Å; P159-W178 HydrophobicContact CB-CZ3 3.52Å; P159-W178 HydrophobicContact CG-CE3 4.18Å; P159-W178 HydrophobicContact CG-CH2 4.15Å; P159-W178 HydrophobicContact CG-CZ3 3.55Å
160Y96.9Very high91.1Very high42 Ų4242.4 Ų42.417%0.16522%0.219CC..EExtended strand (participates in β ladder)trans-117.8127.7167.7-74.4-95.7000109.3E123 E125 L158 R176 L177 A179E123-Y160 HydrophobicContact CB-CD1 4.27Å; E123-Y160 HydrophobicContact CG-CD1 3.84Å; E123-Y160 HydrophobicContact CG-CE1 4.49Å; E125-Y160 HydrophobicContact CB-CD1 4.01Å; E125-Y160 HydrophobicContact CB-CE1 3.59Å; E125-Y160 HydrophobicContact CG-CD1 4.32Å; E125-Y160 HydrophobicContact CG-CE1 3.7Å; E125-Y160 HydrophobicContact CG-CE2 4.22Å; E125-Y160 PolarHBondContact OE2-OH 3.1Å; L158-Y160 HydrophobicContact CD2-CE2 3.78Å; L158-Y160 HydrophobicContact CG-CE2 3.91Å; Y160-R176 WeakPolarHBondContact O-CA 3.41Å; Y160-L177 PolarHBondContact N-O 2.95Å; Y160-L177 PolarHBondContact O-N 2.86Å; Y160-A179 HydrophobicContact CD2-CB 4.01Å; Y160-A179 HydrophobicContact CE2-CB 3.73Å
161E95.9Very high90.7Very high15 Ų1541.1 Ų41.17%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-108134.3-177.9-64.4-173.513300111.9W61 E123 K124 R126 T174 L175 R176W61-E161 HydrophobicContact CH2-CB 3.48Å; W61-E161 VanDerWaalsContact CH2-CB 3.48Å; W61-E161 HydrophobicContact CH2-CG 4.32Å; W61-E161 WeakPolarHBondContact CH2-OE2 3.5Å; W61-E161 HydrophobicContact CZ2-CB 3.74Å; W61-E161 HydrophobicContact CZ2-CG 4.36Å; W61-E161 WeakPolarHBondContact CZ2-OE2 2.99Å; E123-E161 CarbonylContact C-O 3.5Å; E123-E161 VanDerWaalsContact CA-O 3.27Å; E123-E161 WeakPolarHBondContact CA-O 3.43Å; K124-E161 PolarHBondContact N-O 3.31Å; K124-E161 PolarHBondContact O-N 3.46Å; R126-E161 HydrophobicContact CG-CG 3.94Å; R126-E161 IonicContact CZ-OE2 3.48Å; R126-E161 IonicContact NE-OE2 2.77Å; R126-E161 PolarHBondContact NE-OE2 2.95Å; R126-E161 IonicContact NH2-OE2 3.34Å; R126-E161 PolarHBondContact NH2-OE2 3.11Å; E161-T174 HydrophobicContact CB-CG2 3.95Å; E161-T174 HydrophobicContact CG-CG2 3.95Å; E161-L175 CarbonylContact C-O 3.59Å; E161-L175 WeakPolarHBondContact CA-O 3.41Å; E161-R176 IonicContact OE1-CZ 3.52Å; E161-R176 IonicContact OE1-NE 3.03Å; E161-R176 PolarHBondContact OE1-NE 2.95Å; E161-R176 IonicContact OE1-NH2 2.98Å; E161-R176 PolarHBondContact OE1-NH2 3.23Å
162V92.4Very high90.4Very high13 Ų1336 Ų368%0.07919%0.186CC..EExtended strand (participates in β ladder)trans-119124.8175.9-178.10000109W122 E123 I164 L175W122-V162 HydrophobicContact CB-CG1 4.29Å; E123-V162 HydrophobicContact CB-CG2 4.06Å; V162-I164 HydrophobicContact CG1-CD1 4.35Å; V162-L175 HydrophobicContact CB-CB 4.29Å; V162-L175 PolarHBondContact N-O 3.13Å; V162-L175 PolarHBondContact O-N 3.06Å
163P89.6Confident90.3Very high6 Ų638.1 Ų38.14%0.03920%0.196CC..EExtended strand (participates in β ladder)trans-71.7133179.128.2-32.8000111.4L57 W61 W122 P165L57-P163 HydrophobicContact CB-CG 4.49Å; L57-P163 HydrophobicContact CD1-CG 4.18Å; W61-P163 HydrophobicContact CD2-CB 4.17Å; W61-P163 HydrophobicContact CE3-CB 4.26Å; W61-P163 HydrophobicContact CG-CB 4.42Å; W122-P163 WeakPolarHBondContact O-CD 3.23Å; P163-P165 WeakPolarHBondContact O-CD 3.49Å
164I90.6Very high90.5Very high60 Ų6035.2 Ų35.231%0.30819%0.186SC..EExtended strand (participates in β ladder)trans-115.392-179.3-52.8-58.1000109.5M85 V162 N173 L175M85-I164 HydrophobicContact CE-CD1 3.51Å; V162-I164 HydrophobicContact CG1-CD1 4.35Å; I164-N173 HydrophobicContact CB-CB 4.4Å; I164-N173 PolarHBondContact N-O 3.45Å; I164-N173 PolarHBondContact O-N 3.41Å; I164-L175 HydrophobicContact CD1-CB 3.9Å; I164-L175 HydrophobicContact CG1-CB 3.85Å
165P87.2Confident90.7Very high65 Ų6534 Ų3442%0.42218%0.178SC..EExtended strand (participates in β ladder)trans-74.1140.1-177.328.1-33.8000112.9L57 P163L57-P165 HydrophobicContact CD2-CB 3.77Å; L57-P165 HydrophobicContact CD2-CG 3.96Å; P163-P165 WeakPolarHBondContact O-CD 3.49Å
166G85.5Confident90.9Very high31 Ų3136.2 Ų36.232%0.3219%0.185SC..  trans-75.4163.8168.300000113.2R168 N169 T171G166-R168 PolarHBondContact O-N 3.17Å; G166-N169 VanDerWaalsContact C-OD1 3.24Å; G166-N169 WeakPolarHBondContact CA-OD1 3.27Å; G166-T171 PolarHBondContact N-O 3.15Å
167Y85Confident91Very high49 Ų4938 Ų3819%0.19219%0.193CC..THydrogen-bonded Turntrans-82.8111.1-177.9-179.3-106.6000112N169 R417 L421 V441 K442Y167-N169 VanDerWaalsContact C-N 3.27Å; Y167-N169 PolarHBondContact O-N 2.67Å; Y167-R417 HydrophobicContact CD1-CG 4.45Å; Y167-R417 HydrophobicContact CD2-CG 3.53Å; Y167-R417 HydrophobicContact CE2-CG 4.22Å; Y167-R417 HydrophobicContact CG-CG 3.66Å; Y167-L421 HydrophobicContact CD2-CD2 4.41Å; Y167-L421 HydrophobicContact CE2-CD2 3.45Å; Y167-L421 VanDerWaalsContact CE2-CD2 3.45Å; Y167-V441 HydrophobicContact CD1-CB 4.45Å; Y167-V441 HydrophobicContact CD1-CG1 3.85Å; Y167-V441 HydrophobicContact CE1-CB 3.71Å; Y167-V441 HydrophobicContact CE1-CG1 3.37Å; Y167-V441 HydrophobicContact CE1-CG2 4.49Å; Y167-V441 HydrophobicContact CE2-CG1 4.13Å; Y167-V441 HydrophobicContact CG-CG1 4.41Å; Y167-K442 HydrophobicContact CD1-CG 3.93Å; Y167-K442 HydrophobicContact CE1-CG 4.34Å; Y167-K442 WeakPolarHBondContact O-CE 3.47Å
168R81.3Confident91.1Very high152 Ų15239.2 Ų39.257%0.57420%0.198SC*.THydrogen-bonded Turntrans47.351.4179.4-67.1-173.1175.4167.85111.9G166 D438 K442G166-R168 PolarHBondContact O-N 3.17Å; R168-D438 IonicContact CZ-OD2 2.81Å; R168-D438 IonicContact NH1-OD2 2.81Å; R168-D438 PolarHBondContact NH1-OD2 2.95Å; R168-D438 IonicContact NH2-OD2 3.19Å; R168-D438 PolarHBondContact NH2-OD2 2.78Å; R168-K442 PolarHBondContact O-NZ 2.94Å
169N81.2Confident91Very high65 Ų6539.5 Ų39.535%0.34820%0.202SC..SBendtrans-142.2175.3166.666.84.9000108.5G166 Y167G166-N169 VanDerWaalsContact C-OD1 3.24Å; G166-N169 WeakPolarHBondContact CA-OD1 3.27Å; Y167-N169 VanDerWaalsContact C-N 3.27Å; Y167-N169 PolarHBondContact O-N 2.67Å
170Q83.1Confident90.9Very high17 Ų1739.6 Ų39.68%0.07920%0.203CC..SBendtrans-90-7.8-179.8-60.4-58.9-32.700113.4R60 V761 E763R60-Q170 WeakPolarHBondContact CB-O 3.42Å; Q170-V761 HydrophobicContact CB-CB 3.86Å; Q170-V761 HydrophobicContact CB-CG1 3.65Å; Q170-E763 HydrophobicContact CG-CG 3.64Å; Q170-E763 PolarHBondContact NE2-OE1 3.28Å
171T86.9Confident90.6Very high18 Ų1840.9 Ų40.911%0.1121%0.209CC..  trans-69.9130.3-179.3-50.30000111.6T64 Y68 G166T64-T171 HydrophobicContact CG2-CG2 4Å; Y68-T171 WeakPolarHBondContact OH-CG2 3.42Å; G166-T171 PolarHBondContact N-O 3.15Å
172C87.7Confident89.9Confident0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-134.8108.8171.4-170.10000109.1R60 W61 T64R60-C172 HydrophobicContact CB-CB 4.03Å; W61-C172 HydrophobicContact CB-CB 4.13Å; W61-C172 VanDerWaalsContact CD1-O 3.27Å; T64-C172 WeakPolarHBondContact CB-O 3.38Å; T64-C172 WeakPolarHBondContact CG2-O 3.47Å; T64-C172 PolarHBondContact OG1-N 2.9Å
173N92.5Very high88.9Confident72 Ų7246.2 Ų46.239%0.38523%0.234SC..EExtended strand (participates in β ladder)trans-84.8-179.9-179.8-74.4-14000111.2Y68 I164Y68-N173 PolarHBondContact OH-OD1 3.35Å; I164-N173 HydrophobicContact CB-CB 4.4Å; I164-N173 PolarHBondContact N-O 3.45Å; I164-N173 PolarHBondContact O-N 3.41Å
174T94.4Very high87.3Confident46 Ų4653 Ų5328%0.28226%0.263SS..EExtended strand (participates in β ladder)trans-118.4131.2-178.9-51.20000110.8W61 Q65 E161 R176W61-T174 HydrophobicContact CZ2-CG2 3.84Å; W61-T174 PolarHBondContact NE1-OG1 3.45Å; Q65-T174 PolarHBondContact NE2-OG1 3.31Å; E161-T174 HydrophobicContact CB-CG2 3.95Å; E161-T174 HydrophobicContact CG-CG2 3.95Å; T174-R176 HydrophobicContact CG2-CB 4.43Å
175L95.6Very high85.5Confident16 Ų1660.1 Ų60.18%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-97.1116.9155.8169.762.5000107.6F83 M85 E161 V162 I164 L177F83-L175 HydrophobicContact CB-CD2 4.29Å; F83-L175 HydrophobicContact CD1-CD1 3.84Å; F83-L175 HydrophobicContact CD1-CD2 4.38Å; F83-L175 HydrophobicContact CD2-CD1 3.78Å; F83-L175 HydrophobicContact CE1-CD1 3.76Å; F83-L175 HydrophobicContact CE2-CD1 3.69Å; F83-L175 HydrophobicContact CG-CD1 3.85Å; F83-L175 HydrophobicContact CG-CD2 4.24Å; F83-L175 HydrophobicContact CZ-CD1 3.69Å; M85-L175 HydrophobicContact CE-CD2 4.28Å; M85-L175 HydrophobicContact CG-CD2 4.15Å; M85-L175 HydrophobicContact SD-CD2 4.02Å; E161-L175 CarbonylContact C-O 3.59Å; E161-L175 WeakPolarHBondContact CA-O 3.41Å; V162-L175 HydrophobicContact CB-CB 4.29Å; V162-L175 PolarHBondContact N-O 3.13Å; V162-L175 PolarHBondContact O-N 3.06Å; I164-L175 HydrophobicContact CD1-CB 3.9Å; I164-L175 HydrophobicContact CG1-CB 3.85Å; L175-L177 HydrophobicContact CD1-CD2 3.97Å; L175-L177 HydrophobicContact CD2-CD2 4.27Å; L175-L177 HydrophobicContact CG-CD2 4.04Å; L175-L177 HydrophobicContact CG-CG 4.23Å
176R97.6Very high83.7Confident58 Ų5863.7 Ų63.722%0.21930%0.297CS..EExtended strand (participates in β ladder)trans-104.7123.1177.2-175.8171-76.1-160-4.7109.6P159 Y160 E161 T174 W178 D240P159-R176 HydrophobicContact CB-CG 3.97Å; Y160-R176 WeakPolarHBondContact O-CA 3.41Å; E161-R176 IonicContact OE1-CZ 3.52Å; E161-R176 IonicContact OE1-NE 3.03Å; E161-R176 PolarHBondContact OE1-NE 2.95Å; E161-R176 IonicContact OE1-NH2 2.98Å; E161-R176 PolarHBondContact OE1-NH2 3.23Å; T174-R176 HydrophobicContact CG2-CB 4.43Å; R176-W178 HydrophobicContact CG-CZ2 4.44Å; R176-D240 IonicContact CZ-OD2 3.1Å; R176-D240 IonicContact NH1-OD1 2.67Å; R176-D240 PolarHBondContact NH1-OD1 3.01Å; R176-D240 VanDerWaalsContact NH1-OD1 3.1Å; R176-D240 IonicContact NH1-OD2 3.4Å; R176-D240 PolarHBondContact NH1-OD2 3.17Å
177L97.3Very high82.2Confident60 Ų6065.7 Ų65.731%0.31430%0.3SS..EExtended strand (participates in β ladder)trans-111.9147.8178.8-57.5176.9000109.3F83 P159 Y160 L175F83-L177 HydrophobicContact CD2-CD2 4.49Å; P159-L177 CarbonylContact C-O 3.37Å; P159-L177 WeakPolarHBondContact CA-O 3.33Å; Y160-L177 PolarHBondContact N-O 2.95Å; Y160-L177 PolarHBondContact O-N 2.86Å; L175-L177 HydrophobicContact CD1-CD2 3.97Å; L175-L177 HydrophobicContact CD2-CD2 4.27Å; L175-L177 HydrophobicContact CG-CD2 4.04Å; L175-L177 HydrophobicContact CG-CG 4.23Å
178W97.7Very high80.6Confident26 Ų2667.9 Ų67.910%0.09832%0.319CS..EExtended strand (participates in β ladder)trans-112127.7-179.1-60.2103.6000111R131 A157 P159 R176 F232 A236 T237 D240R131-W178 HydrophobicContact CG-CH2 3.99Å; R131-W178 HydrophobicContact CG-CZ3 4.1Å; A157-W178 HydrophobicContact CB-CD2 4.4Å; A157-W178 HydrophobicContact CB-CE3 3.78Å; A157-W178 HydrophobicContact CB-CZ3 4.34Å; A157-W178 WeakPolarHBondContact O-CZ3 3.4Å; P159-W178 HydrophobicContact CB-CE3 3.78Å; P159-W178 HydrophobicContact CB-CH2 4.01Å; P159-W178 HydrophobicContact CB-CZ3 3.52Å; P159-W178 HydrophobicContact CG-CE3 4.18Å; P159-W178 HydrophobicContact CG-CH2 4.15Å; P159-W178 HydrophobicContact CG-CZ3 3.55Å; R176-W178 HydrophobicContact CG-CZ2 4.44Å; W178-F232 HydrophobicContact CB-CD1 4.36Å; W178-F232 HydrophobicContact CB-CE1 3.58Å; W178-F232 HydrophobicContact CB-CZ 4.25Å; W178-A236 HydrophobicContact CD2-CB 3.66Å; W178-A236 HydrophobicContact CE3-CB 3.96Å; W178-A236 HydrophobicContact CG-CB 4.03Å; W178-A236 HydrophobicContact CH2-CB 4.4Å; W178-A236 HydrophobicContact CZ2-CB 4.13Å; W178-A236 WeakPolarHBondContact CZ2-O 3.49Å; W178-A236 HydrophobicContact CZ3-CB 4.3Å; W178-T237 PolarHBondContact NE1-OG1 3.31Å; W178-D240 HydrophobicContact CH2-CB 3.86Å; W178-D240 HydrophobicContact CZ2-CB 3.9Å
179A95.6Very high79.5Confident19 Ų1967.5 Ų67.516%0.15732%0.321CS..EExtended strand (participates in β ladder)trans-103.1130.9170.600000110.1L158 Y160L158-A179 HydrophobicContact CB-CB 4.46Å; L158-A179 PolarHBondContact N-O 3.18Å; L158-A179 PolarHBondContact O-N 2.89Å; Y160-A179 HydrophobicContact CD2-CB 4.01Å; Y160-A179 HydrophobicContact CE2-CB 3.73Å
180A95.2Very high78.3Confident1 Ų165.5 Ų65.51%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-77.2134.717500000110.2I155 C156 A206 I209 S210 F232I155-A180 HydrophobicContact CG2-CB 3.99Å; C156-A180 CarbonylContact O-C 3.46Å; C156-A180 WeakPolarHBondContact O-CA 3.48Å; A180-A206 VanDerWaalsContact CB-O 3.23Å; A180-A206 WeakPolarHBondContact CB-O 3.38Å; A180-I209 HydrophobicContact CB-CB 3.88Å; A180-I209 HydrophobicContact CB-CG2 4.35Å; A180-S210 PolarHBondContact N-OG 2.92Å; A180-F232 VanDerWaalsContact CA-CZ 3.48Å; A180-F232 HydrophobicContact CB-CE1 4.25Å; A180-F232 HydrophobicContact CB-CE2 3.9Å; A180-F232 HydrophobicContact CB-CZ 3.68Å
181K90.5Very high76.9Confident70 Ų7069.6 Ų69.630%0.30433%0.331SS..EExtended strand (participates in β ladder)trans-134.6136.6176.6-64.4-65.9-179.6-175.20109.8C156 L158 R183C156-K181 HydrophobicContact CB-CB 4.11Å; C156-K181 WeakPolarHBondContact CB-O 3.2Å; C156-K181 PolarHBondContact N-O 3.28Å; C156-K181 PolarHBondContact O-N 3.25Å; L158-K181 HydrophobicContact CB-CG 4.2Å; L158-K181 HydrophobicContact CD2-CG 4.21Å; K181-R183 PolarHBondContact O-N 2.88Å
182G81.3Confident75.5Confident22 Ų2276.1 Ų76.123%0.22736%0.36CS..EExtended strand (participates in β ladder)trans-62.7133.4171.200000111K184G182-K184 VanDerWaalsContact C-N 3.34Å
183R70.3Confident74.3Confident118 Ų11882.2 Ų82.245%0.44539%0.393SS..  trans-73.5-23.5-178.8-172.6176.5-179.9-174.81.7113.6T154 K181 Y185T154-R183 VanDerWaalsContact OG1-CD 3.32Å; T154-R183 WeakPolarHBondContact OG1-CD 3.37Å; T154-R183 PolarHBondContact OG1-NH1 3.45Å; K181-R183 PolarHBondContact O-N 2.88Å; R183-Y185 VanDerWaalsContact C-N 3.3Å; R183-Y185 WeakPolarHBondContact O-CD2 3.42Å; R183-Y185 PolarHBondContact O-N 3.03Å
184K57.2Low72.6Confident147 Ų14786.2 Ų86.264%0.63941%0.414SS*.  trans-62.191.7-177.2-71.5-175-179.6178.20109.6G182G182-K184 VanDerWaalsContact C-N 3.34Å
185Y51.4Low71.4Confident210 Ų21087.4 Ų87.482%0.82442%0.419SS*.  trans-49142.5146.7-62.8-81.2000106.7R183 D187R183-Y185 VanDerWaalsContact C-N 3.3Å; R183-Y185 WeakPolarHBondContact O-CD2 3.42Å; R183-Y185 PolarHBondContact O-N 3.03Å; Y185-D187 PolarHBondContact O-N 3.3Å
186F50.5Low70Confident141 Ų14192.7 Ų92.762%0.61844%0.439SS*.  trans-4996.3-179.6-141.8-91.1000109.6T188 I191 Y196F186-T188 PolarHBondContact O-N 2.89Å; F186-I191 HydrophobicContact CD1-CD1 4.27Å; F186-I191 HydrophobicContact CD1-CG1 4.45Å; F186-I191 HydrophobicContact CE1-CD1 3.95Å; F186-I191 HydrophobicContact CE1-CG1 3.97Å; F186-Y196 AromaticContact CE2-CE2 3.97Å; F186-Y196 HydrophobicContact CE2-CE2 3.97Å; F186-Y196 HydrophobicContact CZ-CD2 4.16Å; F186-Y196 AromaticContact CZ-CE2 3.68Å; F186-Y196 HydrophobicContact CZ-CE2 3.68Å
187D53Low68.8Low73 Ų7395.8 Ų95.839%0.3946%0.458SS..  trans-72.5120.2179.8-178.6-7.7000106.7Y185 K189 I190Y185-D187 PolarHBondContact O-N 3.3Å; D187-K189 PolarHBondContact O-N 2.79Å; D187-K189 WeakPolarHBondContact OD1-CB 3.47Å; D187-K189 WeakPolarHBondContact OD1-CG 3.47Å; D187-K189 PolarHBondContact OD1-N 3.29Å; D187-I190 HydrophobicContact CB-CD1 3.68Å; D187-I190 HydrophobicContact CB-CG1 3.99Å; D187-I190 WeakPolarHBondContact O-CB 3.29Å; D187-I190 WeakPolarHBondContact O-CG1 3.42Å; D187-I190 PolarHBondContact O-N 2.94Å
188T52.9Low67.5Low95 Ų9597.5 Ų97.558%0.58347%0.468SS*.Hα-helixtrans-58.6-23.2-17950.80000111.8F186 I190 I191 H192F186-T188 PolarHBondContact O-N 2.89Å; T188-I190 PolarHBondContact O-N 3.18Å; T188-I191 WeakPolarHBondContact O-CB 3.34Å; T188-I191 PolarHBondContact O-N 2.86Å; T188-H192 PolarHBondContact O-CD2 3.17Å; T188-H192 VanDerWaalsContact O-CD2 3.23Å; T188-H192 PolarHBondContact O-N 3.23Å
189K57.5Low66.1Low144 Ų14497.1 Ų97.163%0.62647%0.47SS*.Hα-helixtrans-64-26.6172.7-64.4-179.6178.9-178.60113.6D187 I191 H192 N193D187-K189 PolarHBondContact O-N 2.79Å; D187-K189 WeakPolarHBondContact OD1-CB 3.47Å; D187-K189 WeakPolarHBondContact OD1-CG 3.47Å; D187-K189 PolarHBondContact OD1-N 3.29Å; K189-I191 VanDerWaalsContact C-N 3.27Å; K189-I191 PolarHBondContact O-N 3.15Å; K189-H192 PolarHBondContact O-N 2.98Å; K189-N193 PolarHBondContact O-N 3.46Å
190I55.7Low65Low22 Ų2299.4 Ų99.411%0.11348%0.479CS..Hα-helixtrans-64.2-36.4175.7-63.5162000110.3D187 T188 N194 D195 A199D187-I190 HydrophobicContact CB-CD1 3.68Å; D187-I190 HydrophobicContact CB-CG1 3.99Å; D187-I190 WeakPolarHBondContact O-CB 3.29Å; D187-I190 WeakPolarHBondContact O-CG1 3.42Å; D187-I190 PolarHBondContact O-N 2.94Å; T188-I190 PolarHBondContact O-N 3.18Å; I190-N194 PolarHBondContact O-N 3.3Å; I190-D195 PolarHBondContact O-N 3.03Å; I190-A199 HydrophobicContact CD1-CB 3.6Å; I190-A199 HydrophobicContact CG1-CB 4.14Å; I190-A199 HydrophobicContact CG2-CB 3.8Å
191I53.6Low63.9Low104 Ų104103.4 Ų103.453%0.53350%0.5SS..Hα-helixtrans-66.8-41.5176.7-56.9175.4000110.1F186 T188 K189 N193F186-I191 HydrophobicContact CD1-CD1 4.27Å; F186-I191 HydrophobicContact CD1-CG1 4.45Å; F186-I191 HydrophobicContact CE1-CD1 3.95Å; F186-I191 HydrophobicContact CE1-CG1 3.97Å; T188-I191 WeakPolarHBondContact O-CB 3.34Å; T188-I191 PolarHBondContact O-N 2.86Å; K189-I191 VanDerWaalsContact C-N 3.27Å; K189-I191 PolarHBondContact O-N 3.15Å; I191-N193 VanDerWaalsContact C-N 3.32Å; I191-N193 PolarHBondContact O-N 3.36Å
192H57.9Low63.1Low155 Ų155101.5 Ų101.572%0.71850%0.5SS*.Hα-helixtrans-69.2-27.4-177.3-72.3-66000114T188 K189T188-H192 PolarHBondContact O-CD2 3.17Å; T188-H192 VanDerWaalsContact O-CD2 3.23Å; T188-H192 PolarHBondContact O-N 3.23Å; K189-H192 PolarHBondContact O-N 2.98Å
193N62.6Low62.9Low127 Ų127106.7 Ų106.768%0.67951%0.513SS*.THydrogen-bonded Turntrans-103.66.9-175.6-70.2-5.7000114.3K189 I191 D195K189-N193 PolarHBondContact O-N 3.46Å; I191-N193 VanDerWaalsContact C-N 3.32Å; I191-N193 PolarHBondContact O-N 3.36Å; N193-D195 HydrophobicContact CB-CB 4.39Å; N193-D195 PolarHBondContact O-N 2.89Å; N193-D195 VanDerWaalsContact O-N 3.09Å
194N56.7Low63.3Low156 Ų156104.5 Ų104.583%0.83451%0.51SS*.THydrogen-bonded Turntrans54.822.2-173.8-101.9-1.2000114.3I190 Y196I190-N194 PolarHBondContact O-N 3.3Å; N194-Y196 PolarHBondContact O-N 3.44Å
195D69Low64.4Low72 Ų72103.8 Ų103.839%0.38551%0.509SS..  trans-9228.7-173.7-161.822.2000112.9I190 N193 I197 N198 A199I190-D195 PolarHBondContact O-N 3.03Å; N193-D195 HydrophobicContact CB-CB 4.39Å; N193-D195 PolarHBondContact O-N 2.89Å; N193-D195 VanDerWaalsContact O-N 3.09Å; D195-I197 VanDerWaalsContact C-N 3.32Å; D195-I197 PolarHBondContact O-N 2.88Å; D195-N198 PolarHBondContact O-N 3.32Å; D195-N198 VanDerWaalsContact OD1-CB 3.27Å; D195-N198 WeakPolarHBondContact OD1-CB 3.45Å; D195-N198 PolarHBondContact OD1-ND2 3.34Å; D195-A199 PolarHBondContact O-N 2.61Å
196Y67.1Low65.9Low126 Ų12694.3 Ų94.349%0.49447%0.474SS..Hα-helixtrans-61.1-39.7-174.1179.1-101.3000112.6F186 N194 A199 I200F186-Y196 AromaticContact CE2-CE2 3.97Å; F186-Y196 HydrophobicContact CE2-CE2 3.97Å; F186-Y196 HydrophobicContact CZ-CD2 4.16Å; F186-Y196 AromaticContact CZ-CE2 3.68Å; F186-Y196 HydrophobicContact CZ-CE2 3.68Å; N194-Y196 PolarHBondContact O-N 3.44Å; Y196-A199 PolarHBondContact O-N 3.27Å; Y196-I200 HydrophobicContact CD1-CD1 3.89Å; Y196-I200 HydrophobicContact CE1-CD1 3.23Å; Y196-I200 HydrophobicContact CE1-CG1 4.37Å; Y196-I200 HydrophobicContact CE2-CD1 3.93Å; Y196-I200 PolarHBondContact O-N 3.5Å; Y196-I200 WeakPolarHBondContact OH-CD1 3.21Å
197I72.4Confident67.7Low123 Ų12388.6 Ų88.663%0.63145%0.449SS*.Hα-helixtrans-62.8-51-177.8-63.3177.2000110.2D195 A199 I200 L201D195-I197 VanDerWaalsContact C-N 3.32Å; D195-I197 PolarHBondContact O-N 2.88Å; I197-A199 VanDerWaalsContact C-N 3.29Å; I197-A199 PolarHBondContact O-N 2.88Å; I197-I200 PolarHBondContact O-N 3.48Å; I197-L201 HydrophobicContact CG2-CD1 3.87Å; I197-L201 HydrophobicContact CG2-CG 4.3Å; I197-L201 WeakPolarHBondContact O-CG 3.25Å; I197-L201 PolarHBondContact O-N 3.5Å
198N69.4Low69.4Low97 Ų9788.4 Ų88.452%0.51945%0.448SS..Hα-helixtrans-66.6-32.7-178.1-66.1-40.5000112.2D195 L201 G202D195-N198 PolarHBondContact O-N 3.32Å; D195-N198 VanDerWaalsContact OD1-CB 3.27Å; D195-N198 WeakPolarHBondContact OD1-CB 3.45Å; D195-N198 PolarHBondContact OD1-ND2 3.34Å; N198-L201 PolarHBondContact O-N 3.25Å; N198-G202 PolarHBondContact O-N 3.25Å
199A68.7Low71.2Confident17 Ų1784.1 Ų84.114%0.1442%0.422CS..Hα-helixtrans-63.2-40.5174.400000113I190 D195 Y196 I197 R203I190-A199 HydrophobicContact CD1-CB 3.6Å; I190-A199 HydrophobicContact CG1-CB 4.14Å; I190-A199 HydrophobicContact CG2-CB 3.8Å; D195-A199 PolarHBondContact O-N 2.61Å; Y196-A199 PolarHBondContact O-N 3.27Å; I197-A199 VanDerWaalsContact C-N 3.29Å; I197-A199 PolarHBondContact O-N 2.88Å; A199-R203 PolarHBondContact O-N 3.06Å
200I71.7Confident72.8Confident68 Ų6879.9 Ų79.935%0.34941%0.41SS..Hα-helixtrans-69.8-43.7175.1-70.6-179.4000111.1Y196 I197 G202 R203 N204Y196-I200 HydrophobicContact CD1-CD1 3.89Å; Y196-I200 HydrophobicContact CE1-CD1 3.23Å; Y196-I200 HydrophobicContact CE1-CG1 4.37Å; Y196-I200 HydrophobicContact CE2-CD1 3.93Å; Y196-I200 PolarHBondContact O-N 3.5Å; Y196-I200 WeakPolarHBondContact OH-CD1 3.21Å; I197-I200 PolarHBondContact O-N 3.48Å; I200-G202 VanDerWaalsContact C-N 3.34Å; I200-G202 PolarHBondContact O-N 3.33Å; I200-R203 WeakPolarHBondContact O-CB 3.42Å; I200-R203 PolarHBondContact O-N 3.15Å; I200-R203 VanDerWaalsContact O-N 3.09Å; I200-N204 PolarHBondContact O-N 3.46Å
201L72.7Confident74.2Confident84 Ų8486.1 Ų86.144%0.4443%0.432SS..Hα-helixtrans-57.3-47.5178.1-69.9174.7000111.1I197 N198 R203 N204 E205I197-L201 HydrophobicContact CG2-CD1 3.87Å; I197-L201 HydrophobicContact CG2-CG 4.3Å; I197-L201 WeakPolarHBondContact O-CG 3.25Å; I197-L201 PolarHBondContact O-N 3.5Å; N198-L201 PolarHBondContact O-N 3.25Å; L201-R203 VanDerWaalsContact C-N 3.26Å; L201-R203 PolarHBondContact O-N 3.19Å; L201-N204 PolarHBondContact O-N 2.91Å; L201-N204 VanDerWaalsContact O-N 3.07Å; L201-E205 WeakPolarHBondContact O-CG 3.42Å; L201-E205 PolarHBondContact O-N 3.17Å
202G73.3Confident75.6Confident31 Ų3185 Ų8532%0.3243%0.431SS..Hα-helixtrans-62.8-29176.900000113.9N198 I200 A206N198-G202 PolarHBondContact O-N 3.25Å; I200-G202 VanDerWaalsContact C-N 3.34Å; I200-G202 PolarHBondContact O-N 3.33Å; G202-A206 PolarHBondContact O-N 2.96Å
203R76.9Confident76.6Confident131 Ų13182.2 Ų82.249%0.49442%0.42SS..Hα-helixtrans-69.3-45171.8179.4177.3173.3167.7-2.2111.4A199 I200 L201 E205 A206 E207A199-R203 PolarHBondContact O-N 3.06Å; I200-R203 WeakPolarHBondContact O-CB 3.42Å; I200-R203 PolarHBondContact O-N 3.15Å; I200-R203 VanDerWaalsContact O-N 3.09Å; L201-R203 VanDerWaalsContact C-N 3.26Å; L201-R203 PolarHBondContact O-N 3.19Å; R203-E205 VanDerWaalsContact C-N 3.32Å; R203-E205 PolarHBondContact O-N 3.21Å; R203-A206 PolarHBondContact O-N 3.38Å; R203-E207 IonicContact CZ-OE1 3.58Å; R203-E207 IonicContact NE-OE1 3.66Å; R203-E207 PolarHBondContact NE-OE1 3.19Å; R203-E207 IonicContact NH2-OE1 2.61Å; R203-E207 PolarHBondContact NH2-OE1 2.83Å; R203-E207 WeakPolarHBondContact O-CG 3.46Å; R203-E207 PolarHBondContact O-N 3.46Å
204N78.9Confident77.1Confident72 Ų7278.4 Ų78.439%0.38540%0.397SS..Hα-helixtrans-63.4-40.3178.4-70.7-19.7000111.4I200 L201 A206 E207 N208I200-N204 PolarHBondContact O-N 3.46Å; L201-N204 PolarHBondContact O-N 2.91Å; L201-N204 VanDerWaalsContact O-N 3.07Å; N204-A206 VanDerWaalsContact C-N 3.34Å; N204-A206 PolarHBondContact O-N 2.94Å; N204-E207 CarbonylContact O-C 3.58Å; N204-E207 PolarHBondContact O-N 3.16Å; N204-N208 PolarHBondContact O-N 3.45Å; N204-N208 PolarHBondContact O-OD1 2.97Å
205E80Confident77.7Confident132 Ų13271.8 Ų71.862%0.61736%0.362SS*.Hα-helixtrans-59-43174.4-73.8173.8-178.500112.3L201 R203 N208L201-E205 WeakPolarHBondContact O-CG 3.42Å; L201-E205 PolarHBondContact O-N 3.17Å; R203-E205 VanDerWaalsContact C-N 3.32Å; R203-E205 PolarHBondContact O-N 3.21Å; E205-N208 WeakPolarHBondContact O-CB 3.41Å; E205-N208 PolarHBondContact O-N 3.19Å
206A83.5Confident77.5Confident11 Ų1173 Ų739%0.09137%0.367CS..Hα-helixtrans-64.3-42.4174.700000112.1I155 A180 G202 R203 N204 N208I155-A206 HydrophobicContact CD1-CB 3.87Å; I155-A206 HydrophobicContact CG1-CB 3.94Å; I155-A206 HydrophobicContact CG2-CB 4.24Å; A180-A206 VanDerWaalsContact CB-O 3.23Å; A180-A206 WeakPolarHBondContact CB-O 3.38Å; G202-A206 PolarHBondContact O-N 2.96Å; R203-A206 PolarHBondContact O-N 3.38Å; N204-A206 VanDerWaalsContact C-N 3.34Å; N204-A206 PolarHBondContact O-N 2.94Å; A206-N208 VanDerWaalsContact C-N 3.26Å; A206-N208 PolarHBondContact O-N 3.15Å
207E88.3Confident77.1Confident21 Ų2171.5 Ų71.510%0.09837%0.365CS..Hα-helixtrans-71.4-17.4179.1-66.3-175-174.700113.2R203 N204 I209 S210 R211R203-E207 IonicContact CZ-OE1 3.58Å; R203-E207 IonicContact NE-OE1 3.66Å; R203-E207 PolarHBondContact NE-OE1 3.19Å; R203-E207 IonicContact NH2-OE1 2.61Å; R203-E207 PolarHBondContact NH2-OE1 2.83Å; R203-E207 WeakPolarHBondContact O-CG 3.46Å; R203-E207 PolarHBondContact O-N 3.46Å; N204-E207 CarbonylContact O-C 3.58Å; N204-E207 PolarHBondContact O-N 3.16Å; E207-I209 PolarHBondContact O-N 2.88Å; E207-S210 PolarHBondContact O-N 3.48Å; E207-R211 IonicContact OE2-NH2 3.08Å; E207-R211 PolarHBondContact OE2-NH2 3.01Å
208N87.9Confident76.6Confident68 Ų6871 Ų7136%0.36437%0.372SS..G310 helixtrans-62.2-26.4176.8-76.1-19.3000113N204 E205 A206 S210 R211N204-N208 PolarHBondContact O-N 3.45Å; N204-N208 PolarHBondContact O-OD1 2.97Å; E205-N208 WeakPolarHBondContact O-CB 3.41Å; E205-N208 PolarHBondContact O-N 3.19Å; A206-N208 VanDerWaalsContact C-N 3.26Å; A206-N208 PolarHBondContact O-N 3.15Å; N208-S210 VanDerWaalsContact C-N 3.29Å; N208-S210 PolarHBondContact O-N 3.33Å; N208-R211 WeakPolarHBondContact O-CB 3.35Å; N208-R211 PolarHBondContact O-N 3.28Å; N208-R211 VanDerWaalsContact O-N 3.17Å
209I91.1Very high76.6Confident5 Ų568.3 Ų68.33%0.02636%0.364CS..G310 helixtrans-54.5-46176.8-65.3-179.8000110.6F135 I155 A180 E207 L225 K228 Q229 F232F135-I209 HydrophobicContact CE2-CD1 3.81Å; F135-I209 HydrophobicContact CZ-CD1 3.95Å; I155-I209 HydrophobicContact CD1-CD1 3.39Å; A180-I209 HydrophobicContact CB-CB 3.88Å; A180-I209 HydrophobicContact CB-CG2 4.35Å; E207-I209 PolarHBondContact O-N 2.88Å; I209-L225 HydrophobicContact CG1-CD1 4.18Å; I209-K228 HydrophobicContact CD1-CB 4.14Å; I209-K228 HydrophobicContact CG1-CB 4.26Å; I209-Q229 HydrophobicContact CG2-CG 4.06Å; I209-Q229 WeakPolarHBondContact O-CG 3.45Å; I209-Q229 PolarHBondContact O-NE2 3.01Å; I209-F232 HydrophobicContact CG2-CB 3.79Å; I209-F232 HydrophobicContact CG2-CD1 3.95Å; I209-F232 HydrophobicContact CG2-CD2 4.3Å; I209-F232 HydrophobicContact CG2-CG 3.77Å
210S90.8Very high77Confident56 Ų5672.1 Ų72.139%0.39238%0.377SS..G310 helixtrans-98.720.6-178.658.80000114A180 E207 N208A180-S210 PolarHBondContact N-OG 2.92Å; E207-S210 PolarHBondContact O-N 3.48Å; N208-S210 VanDerWaalsContact C-N 3.29Å; N208-S210 PolarHBondContact O-N 3.33Å
211R85.1Confident77.3Confident152 Ų15275.3 Ų75.357%0.57439%0.391SS*.THydrogen-bonded Turntrans-87.9-40.7-172.2-168.269.363.1174.2-1.9114.1E207 N208E207-R211 IonicContact OE2-NH2 3.08Å; E207-R211 PolarHBondContact OE2-NH2 3.01Å; N208-R211 WeakPolarHBondContact O-CB 3.35Å; N208-R211 PolarHBondContact O-N 3.28Å; N208-R211 VanDerWaalsContact O-N 3.17Å
212V83Confident77.7Confident82 Ų8271.8 Ų71.850%0.49738%0.375SS..SBendtrans-140.4142.9-174.567.10000110.9Q229V212-Q229 PolarHBondContact O-NE2 3.45Å
213L79.1Confident78.3Confident95 Ų9574.1 Ų74.150%0.49738%0.376SS..SBendtrans-77.9119173.1179.467.8000109.5E82E82-L213 HydrophobicContact CG-CD1 3.96Å; E82-L213 HydrophobicContact CG-CD2 4.13Å
214Y74.1Confident79.1Confident48 Ų4868.7 Ų68.719%0.18836%0.356CS..SBendtrans52.995.8-176.2-56-66.7000114.4E82 Q226 H269E82-Y214 HydrophobicContact CG-CE2 4.01Å; E82-Y214 WeakPolarHBondContact OE1-CE2 3.46Å; E82-Y214 PolarHBondContact OE1-OH 2.9Å; Y214-Q226 HydrophobicContact CD1-CG 4.46Å; Y214-H269 AromaticContact CE1-CD2 3.89Å; Y214-H269 AromaticContact CE1-NE2 3.87Å; Y214-H269 AromaticContact CZ-NE2 3.95Å; Y214-H269 PolarHBondContact OH-CE1 3.27Å; Y214-H269 PolarHBondContact OH-NE2 3.18Å
215P68.6Low79.7Confident16 Ų1667.1 Ų67.110%0.10435%0.348CS..  trans-62.9162.7170.630.2-37.4000111.6E217 G222 L225 Q226 Q229P215-E217 PolarHBondContact O-N 2.73Å; P215-G222 WeakPolarHBondContact CG-O 3.27Å; P215-L225 HydrophobicContact CB-CD2 3.9Å; P215-L225 HydrophobicContact CB-CG 4.4Å; P215-L225 HydrophobicContact CG-CB 4Å; P215-L225 HydrophobicContact CG-CD2 4.05Å; P215-L225 HydrophobicContact CG-CG 4Å; P215-Q226 HydrophobicContact CG-CB 4.01Å; P215-Q229 VanDerWaalsContact CD-OE1 3.3Å
216I64.8Low80.3Confident97 Ų9761.2 Ų61.250%0.49732%0.32SS..  trans-65.6109.1-178.9-59.3174.5000109.8S218 P540I216-S218 VanDerWaalsContact CG2-OG 3.28Å; I216-S218 WeakPolarHBondContact CG2-OG 3.49Å; I216-S218 PolarHBondContact O-N 3.45Å; I216-P540 HydrophobicContact CD1-CB 4.45Å
217E59.6Low80.9Confident95 Ų9560.7 Ų60.744%0.44432%0.316SS..THydrogen-bonded Turntrans-72.2-8.1-174.7-62.3179.9-170.400114.8P215 A219 K223 Q226P215-E217 PolarHBondContact O-N 2.73Å; E217-A219 PolarHBondContact O-N 2.84Å; E217-K223 HydrophobicContact CB-CG 4.25Å; E217-K223 WeakPolarHBondContact O-CE 3.41Å; E217-K223 WeakPolarHBondContact O-CG 3.26Å; E217-Q226 PolarHBondContact OE1-NE2 2.97Å; E217-Q226 PolarHBondContact OE1-OE1 2.7Å; E217-Q226 VanDerWaalsContact OE1-OE1 3.09Å
218S61.1Low81.2Confident112 Ų11261.4 Ų61.478%0.78332%0.318SS*.THydrogen-bonded Turntrans-68.6-22.3-179.362.20000112.9I216I216-S218 VanDerWaalsContact CG2-OG 3.28Å; I216-S218 WeakPolarHBondContact CG2-OG 3.49Å; I216-S218 PolarHBondContact O-N 3.45Å
219A68.9Low81.6Confident42 Ų4258.6 Ų58.635%0.34730%0.303SS..SBendtrans-100146174.800000110.7E217 E221 G222 K223E217-A219 PolarHBondContact O-N 2.84Å; A219-E221 VanDerWaalsContact C-N 3.26Å; A219-E221 PolarHBondContact O-N 3.41Å; A219-G222 PolarHBondContact O-N 2.58Å; A219-G222 VanDerWaalsContact O-N 3.07Å; A219-K223 PolarHBondContact O-N 2.85Å
220F77.6Confident81.9Confident96 Ų9658.4 Ų58.442%0.42130%0.302SS..Hα-helixtrans-58.4-40.3179.1177.9-95.6000111.8G222 K223 E224 M319F220-G222 VanDerWaalsContact C-N 3.28Å; F220-G222 PolarHBondContact O-N 2.83Å; F220-K223 PolarHBondContact O-N 3.4Å; F220-E224 PolarHBondContact O-N 2.95Å; F220-M319 HydrophobicContact CD2-CE 3.52Å; F220-M319 HydrophobicContact CE1-CE 4.47Å; F220-M319 HydrophobicContact CE2-CE 3.36Å; F220-M319 HydrophobicContact CG-CE 4.18Å; F220-M319 HydrophobicContact CZ-CE 3.9Å
221E77.7Confident82.3Confident136 Ų13655.7 Ų55.764%0.63628%0.284SS*.Hα-helixtrans-62.3-35.7177-60.280.2-177.400111.8A219 L225A219-E221 VanDerWaalsContact C-N 3.26Å; A219-E221 PolarHBondContact O-N 3.41Å; E221-L225 WeakPolarHBondContact O-CB 3.45Å; E221-L225 PolarHBondContact O-N 2.94Å
222G82Confident82.9Confident9 Ų948.9 Ų48.99%0.09326%0.258CS..Hα-helixtrans-67.2-45.3176.100000112P215 A219 F220 L225 Q226P215-G222 WeakPolarHBondContact CG-O 3.27Å; A219-G222 PolarHBondContact O-N 2.58Å; A219-G222 VanDerWaalsContact O-N 3.07Å; F220-G222 VanDerWaalsContact C-N 3.28Å; F220-G222 PolarHBondContact O-N 2.83Å; G222-L225 PolarHBondContact O-N 2.91Å; G222-Q226 PolarHBondContact O-N 3.38Å
223K86.2Confident83.6Confident80 Ų8046.3 Ų46.335%0.34824%0.241SC..Hα-helixtrans-60.9-45174.5-72.5-172.6178.2-175.50112E217 A219 F220 L225 Q226 L227 W315 M319E217-K223 HydrophobicContact CB-CG 4.25Å; E217-K223 WeakPolarHBondContact O-CE 3.41Å; E217-K223 WeakPolarHBondContact O-CG 3.26Å; A219-K223 PolarHBondContact O-N 2.85Å; F220-K223 PolarHBondContact O-N 3.4Å; K223-L225 PolarHBondContact O-N 2.95Å; K223-Q226 PolarHBondContact O-N 2.66Å; K223-L227 PolarHBondContact O-N 2.88Å; K223-W315 HydrophobicContact CB-CZ3 4.23Å; K223-W315 WeakPolarHBondContact O-CH2 3.49Å; K223-W315 WeakPolarHBondContact O-CZ3 3.4Å; K223-M319 HydrophobicContact CB-CE 3.8Å; K223-M319 HydrophobicContact CB-SD 4.21Å
224E92.5Very high84.5Confident18 Ų1841.8 Ų41.88%0.08422%0.218CC..Hα-helixtrans-62.7-41.4176.8-179.4174.1177.600112Y136 F220 Q226 L227 K228 M319 R322 V323Y136-E224 VanDerWaalsContact CE1-OE1 3.25Å; Y136-E224 WeakPolarHBondContact CE1-OE1 3.21Å; Y136-E224 VanDerWaalsContact CZ-OE1 3.25Å; Y136-E224 PolarHBondContact OH-OE1 3.05Å; F220-E224 PolarHBondContact O-N 2.95Å; E224-Q226 VanDerWaalsContact C-N 3.35Å; E224-Q226 PolarHBondContact O-N 2.71Å; E224-L227 WeakPolarHBondContact O-CB 3.22Å; E224-L227 PolarHBondContact O-N 2.78Å; E224-K228 WeakPolarHBondContact O-CG 3.32Å; E224-K228 PolarHBondContact O-N 2.81Å; E224-M319 HydrophobicContact CB-CE 4.32Å; E224-M319 HydrophobicContact CB-SD 4.27Å; E224-R322 IonicContact OE1-CZ 2.65Å; E224-R322 IonicContact OE1-NH1 3.35Å; E224-R322 PolarHBondContact OE1-NH1 3.47Å; E224-R322 IonicContact OE1-NH2 3.77Å; E224-R322 IonicContact OE2-CZ 3.83Å; E224-R322 VanDerWaalsContact OE2-CZ 3.27Å; E224-R322 IonicContact OE2-NH1 3.41Å; E224-R322 PolarHBondContact OE2-NH1 2.98Å; E224-R322 IonicContact OE2-NH2 2.97Å; E224-R322 PolarHBondContact OE2-NH2 3.38Å; E224-V323 HydrophobicContact CG-CG2 3.99Å
225L92.2Very high85.7Confident39 Ų3939.6 Ų39.620%0.20421%0.209CC..Hα-helixtrans-63.1-40.3176179.860000111.8I209 P215 E221 G222 K223 K228 Q229I209-L225 HydrophobicContact CG1-CD1 4.18Å; P215-L225 HydrophobicContact CB-CD2 3.9Å; P215-L225 HydrophobicContact CB-CG 4.4Å; P215-L225 HydrophobicContact CG-CB 4Å; P215-L225 HydrophobicContact CG-CD2 4.05Å; P215-L225 HydrophobicContact CG-CG 4Å; E221-L225 WeakPolarHBondContact O-CB 3.45Å; E221-L225 PolarHBondContact O-N 2.94Å; G222-L225 PolarHBondContact O-N 2.91Å; K223-L225 PolarHBondContact O-N 2.95Å; L225-K228 WeakPolarHBondContact O-CB 3.39Å; L225-K228 PolarHBondContact O-N 2.98Å; L225-Q229 VanDerWaalsContact O-CG 3.3Å; L225-Q229 WeakPolarHBondContact O-CG 3.38Å; L225-Q229 PolarHBondContact O-N 3.42Å
226Q92.3Very high87.1Confident8 Ų838.8 Ų38.84%0.03720%0.204CC..Hα-helixtrans-63.9-42174.4-177.6-176.225.200112Y214 P215 E217 G222 K223 E224 K228 Q229 E230 W315Y214-Q226 HydrophobicContact CD1-CG 4.46Å; P215-Q226 HydrophobicContact CG-CB 4.01Å; E217-Q226 PolarHBondContact OE1-NE2 2.97Å; E217-Q226 PolarHBondContact OE1-OE1 2.7Å; E217-Q226 VanDerWaalsContact OE1-OE1 3.09Å; G222-Q226 PolarHBondContact O-N 3.38Å; K223-Q226 PolarHBondContact O-N 2.66Å; E224-Q226 VanDerWaalsContact C-N 3.35Å; E224-Q226 PolarHBondContact O-N 2.71Å; Q226-K228 VanDerWaalsContact C-N 3.3Å; Q226-K228 PolarHBondContact O-N 3.12Å; Q226-Q229 WeakPolarHBondContact O-CB 3.12Å; Q226-Q229 PolarHBondContact O-N 2.94Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.31Å; Q226-E230 PolarHBondContact O-N 3.36Å; Q226-W315 HydrophobicContact CB-CH2 4.03Å; Q226-W315 HydrophobicContact CG-CH2 3.93Å; Q226-W315 HydrophobicContact CG-CZ2 4.37Å
227L95.4Very high88.7Confident0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-58.7-43.3172.4175.462.3000111.3K223 E224 E230 Y231 L272 W315 M319 L320 V323 L324K223-L227 PolarHBondContact O-N 2.88Å; E224-L227 WeakPolarHBondContact O-CB 3.22Å; E224-L227 PolarHBondContact O-N 2.78Å; L227-E230 PolarHBondContact O-N 3.49Å; L227-Y231 WeakPolarHBondContact O-CB 3.32Å; L227-Y231 PolarHBondContact O-N 3.2Å; L227-L272 HydrophobicContact CD1-CD1 3.61Å; L227-W315 HydrophobicContact CB-CE3 4.34Å; L227-W315 HydrophobicContact CB-CH2 3.88Å; L227-W315 HydrophobicContact CB-CZ2 4.02Å; L227-W315 HydrophobicContact CB-CZ3 4.04Å; L227-W315 HydrophobicContact CD1-CD2 4.13Å; L227-W315 HydrophobicContact CD1-CG 4.36Å; L227-W315 HydrophobicContact CD1-CZ2 4.27Å; L227-M319 HydrophobicContact CD2-CG 3.98Å; L227-M319 HydrophobicContact CD2-SD 4.26Å; L227-L320 HydrophobicContact CD1-CD1 3.75Å; L227-L320 HydrophobicContact CD2-CD1 4.01Å; L227-V323 HydrophobicContact CD2-CB 3.99Å; L227-V323 HydrophobicContact CD2-CG1 4.28Å; L227-V323 HydrophobicContact CD2-CG2 4.1Å; L227-L324 HydrophobicContact CD1-CD1 4.41Å
228K95.9Very high90.5Very high35 Ų3530.4 Ų30.415%0.15216%0.164CC..Hα-helixtrans-62.5-40.8175.2-72.1-178.3177.8-175.50112.2F135 Y136 I209 E224 L225 Q226 F232 V323F135-K228 HydrophobicContact CD1-CG 3.94Å; F135-K228 HydrophobicContact CE1-CB 3.84Å; F135-K228 HydrophobicContact CE1-CG 3.75Å; F135-K228 HydrophobicContact CZ-CB 4.09Å; F135-K228 HydrophobicContact CZ-CG 4.32Å; Y136-K228 WeakPolarHBondContact OH-CE 3.42Å; Y136-K228 PolarHBondContact OH-NZ 2.88Å; I209-K228 HydrophobicContact CD1-CB 4.14Å; I209-K228 HydrophobicContact CG1-CB 4.26Å; E224-K228 WeakPolarHBondContact O-CG 3.32Å; E224-K228 PolarHBondContact O-N 2.81Å; L225-K228 WeakPolarHBondContact O-CB 3.39Å; L225-K228 PolarHBondContact O-N 2.98Å; Q226-K228 VanDerWaalsContact C-N 3.3Å; Q226-K228 PolarHBondContact O-N 3.12Å; K228-F232 WeakPolarHBondContact O-CB 3.34Å; K228-F232 PolarHBondContact O-N 3.49Å; K228-V323 HydrophobicContact CG-CG1 4.32Å
229Q96.1Very high92.3Very high10 Ų1027.6 Ų27.65%0.04714%0.138CC..Hα-helixtrans-58.9-47.3176-76.2-179.3-22.200112.3M81 I209 V212 P215 L225 Q226 F232 L233M81-Q229 HydrophobicContact CE-CB 3.76Å; I209-Q229 HydrophobicContact CG2-CG 4.06Å; I209-Q229 WeakPolarHBondContact O-CG 3.45Å; I209-Q229 PolarHBondContact O-NE2 3.01Å; V212-Q229 PolarHBondContact O-NE2 3.45Å; P215-Q229 VanDerWaalsContact CD-OE1 3.3Å; L225-Q229 VanDerWaalsContact O-CG 3.3Å; L225-Q229 WeakPolarHBondContact O-CG 3.38Å; L225-Q229 PolarHBondContact O-N 3.42Å; Q226-Q229 WeakPolarHBondContact O-CB 3.12Å; Q226-Q229 PolarHBondContact O-N 2.94Å; Q229-F232 PolarHBondContact O-N 3.47Å; Q229-L233 PolarHBondContact O-N 3.3Å; Q229-L233 VanDerWaalsContact O-N 3.11Å
230E97.3Very high93.6Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-65.9-47.4-180-75.6170-153.500111.8M81 Q226 L227 F232 L233 V234 H269 K313M81-E230 HydrophobicContact CE-CG 4.38Å; M81-E230 HydrophobicContact CG-CG 4.28Å; M81-E230 HydrophobicContact SD-CG 4.11Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.31Å; Q226-E230 PolarHBondContact O-N 3.36Å; L227-E230 PolarHBondContact O-N 3.49Å; E230-F232 VanDerWaalsContact C-N 3.32Å; E230-F232 PolarHBondContact O-N 2.7Å; E230-L233 PolarHBondContact O-N 3.17Å; E230-V234 WeakPolarHBondContact O-CG1 3.47Å; E230-V234 PolarHBondContact O-N 3.14Å; E230-H269 WeakPolarHBondContact CB-O 3.21Å; E230-H269 HydrophobicContact CG-CB 4.2Å; E230-H269 VanDerWaalsContact CG-O 3.27Å; E230-H269 WeakPolarHBondContact CG-O 3.2Å; E230-H269 IonicContact OE1-CD2 3.12Å; E230-K313 IonicContact OE1-NZ 2.78Å; E230-K313 PolarHBondContact OE1-NZ 3.29Å; E230-K313 IonicContact OE2-NZ 3.47Å; E230-K313 PolarHBondContact OE2-NZ 3.03Å
231Y98.3Very high94.5Very high0 Ų022.5 Ų22.50%011%0.109CC..Hα-helixtrans-64.3-38.9177.7-175.1-106.9000112.5V133 Q134 F135 W149 L227 L233 V234 S235 L272 E276 L324 H327V133-Y231 HydrophobicContact CG1-CD1 3.89Å; V133-Y231 HydrophobicContact CG1-CE1 3.79Å; Q134-Y231 WeakPolarHBondContact O-CE1 3.26Å; F135-Y231 HydrophobicContact CD1-CD1 4.06Å; F135-Y231 AromaticContact CE1-CD1 3.52Å; F135-Y231 HydrophobicContact CE1-CD1 3.52Å; F135-Y231 HydrophobicContact CE1-CE1 4.46Å; F135-Y231 HydrophobicContact CE1-CG 4.27Å; F135-Y231 HydrophobicContact CZ-CD1 4.03Å; W149-Y231 HydrophobicContact CH2-CE1 4.2Å; W149-Y231 HydrophobicContact CZ3-CE1 4.42Å; W149-Y231 WeakPolarHBondContact CZ3-OH 3.48Å; L227-Y231 WeakPolarHBondContact O-CB 3.32Å; L227-Y231 PolarHBondContact O-N 3.2Å; Y231-L233 PolarHBondContact O-N 3.34Å; Y231-V234 HydrophobicContact CD2-CG2 4.01Å; Y231-V234 VanDerWaalsContact O-CG2 3.31Å; Y231-V234 WeakPolarHBondContact O-CG2 3.5Å; Y231-V234 PolarHBondContact O-N 3.3Å; Y231-S235 WeakPolarHBondContact O-CB 3.23Å; Y231-S235 PolarHBondContact O-N 3.48Å; Y231-L272 HydrophobicContact CD2-CB 4.42Å; Y231-L272 HydrophobicContact CD2-CD1 4.4Å; Y231-E276 HydrophobicContact CE2-CB 4.25Å; Y231-E276 HydrophobicContact CE2-CG 4.3Å; Y231-E276 VanDerWaalsContact OH-CD 3.29Å; Y231-E276 PolarHBondContact OH-OE1 2.99Å; Y231-E276 PolarHBondContact OH-OE2 2.97Å; Y231-L324 HydrophobicContact CD1-CD2 3.56Å; Y231-L324 HydrophobicContact CD2-CD1 3.65Å; Y231-L324 HydrophobicContact CD2-CD2 3.88Å; Y231-L324 HydrophobicContact CD2-CG 4.45Å; Y231-L324 HydrophobicContact CE1-CD2 3.65Å; Y231-L324 HydrophobicContact CE2-CD1 4.29Å; Y231-L324 HydrophobicContact CE2-CD2 3.98Å; Y231-L324 HydrophobicContact CG-CD1 3.77Å; Y231-L324 HydrophobicContact CG-CD2 3.65Å; Y231-L324 HydrophobicContact CG-CG 4.36Å; Y231-H327 AromaticContact CE2-CD2 3.82Å; Y231-H327 AromaticContact CE2-CE1 3.58Å; Y231-H327 AromaticContact CE2-NE2 3.18Å; Y231-H327 WeakPolarHBondContact CE2-NE2 3.4Å; Y231-H327 AromaticContact CZ-CE1 3.54Å; Y231-H327 AromaticContact CZ-NE2 3.52Å; Y231-H327 PolarHBondContact OH-CE1 3.29Å; Y231-H327 PolarHBondContact OH-NE2 3.32Å
232F98.1Very high95.3Very high8 Ų816.5 Ų16.54%0.0358%0.082CC..Hα-helixtrans-59.2-46.5177179.3-97.7000112.1V133 F135 I155 A157 W178 A180 I209 K228 Q229 E230 A236V133-F232 HydrophobicContact CB-CD2 4.04Å; V133-F232 HydrophobicContact CG1-CD2 4.26Å; V133-F232 HydrophobicContact CG2-CD2 3.81Å; V133-F232 HydrophobicContact CG2-CE2 4.13Å; F135-F232 HydrophobicContact CZ-CB 4.2Å; I155-F232 HydrophobicContact CG2-CD2 4.49Å; I155-F232 HydrophobicContact CG2-CE2 3.99Å; A157-F232 HydrophobicContact CB-CE1 4.28Å; A157-F232 HydrophobicContact CB-CE2 3.59Å; A157-F232 HydrophobicContact CB-CZ 3.46Å; A157-F232 VanDerWaalsContact CB-CZ 3.46Å; W178-F232 HydrophobicContact CB-CD1 4.36Å; W178-F232 HydrophobicContact CB-CE1 3.58Å; W178-F232 HydrophobicContact CB-CZ 4.25Å; A180-F232 VanDerWaalsContact CA-CZ 3.48Å; A180-F232 HydrophobicContact CB-CE1 4.25Å; A180-F232 HydrophobicContact CB-CE2 3.9Å; A180-F232 HydrophobicContact CB-CZ 3.68Å; I209-F232 HydrophobicContact CG2-CB 3.79Å; I209-F232 HydrophobicContact CG2-CD1 3.95Å; I209-F232 HydrophobicContact CG2-CD2 4.3Å; I209-F232 HydrophobicContact CG2-CG 3.77Å; K228-F232 WeakPolarHBondContact O-CB 3.34Å; K228-F232 PolarHBondContact O-N 3.49Å; Q229-F232 PolarHBondContact O-N 3.47Å; E230-F232 VanDerWaalsContact C-N 3.32Å; E230-F232 PolarHBondContact O-N 2.7Å; F232-A236 VanDerWaalsContact O-CB 3.27Å; F232-A236 WeakPolarHBondContact O-CB 3.04Å; F232-A236 PolarHBondContact O-N 3.46Å
233L98Very high95.9Very high29 Ų2922.3 Ų22.315%0.15210%0.102CC..Hα-helixtrans-58.4-50.9175.5172.262.9000111.3M81 Q229 E230 Y231 T237M81-L233 HydrophobicContact CG-CD2 4.34Å; M81-L233 HydrophobicContact SD-CB 4.13Å; M81-L233 HydrophobicContact SD-CD2 3.47Å; M81-L233 WeakPolarHBondContact SD-CD2 3.47Å; M81-L233 HydrophobicContact SD-CG 4.43Å; Q229-L233 PolarHBondContact O-N 3.3Å; Q229-L233 VanDerWaalsContact O-N 3.11Å; E230-L233 PolarHBondContact O-N 3.17Å; Y231-L233 PolarHBondContact O-N 3.34Å; L233-T237 VanDerWaalsContact O-CB 3.28Å; L233-T237 WeakPolarHBondContact O-CB 3.3Å; L233-T237 PolarHBondContact O-N 2.89Å; L233-T237 VanDerWaalsContact O-N 3.11Å; L233-T237 PolarHBondContact O-OG1 3.26Å
234V98.3Very high96.1Very high0 Ų022.4 Ų22.40%010%0.103CC..Hα-helixtrans-71.9-42.8-172.1-580000112.1L79 E230 Y231 T237 L238 P270 L272 A273L79-V234 HydrophobicContact CD1-CG1 4.5Å; E230-V234 WeakPolarHBondContact O-CG1 3.47Å; E230-V234 PolarHBondContact O-N 3.14Å; Y231-V234 HydrophobicContact CD2-CG2 4.01Å; Y231-V234 VanDerWaalsContact O-CG2 3.31Å; Y231-V234 WeakPolarHBondContact O-CG2 3.5Å; Y231-V234 PolarHBondContact O-N 3.3Å; V234-T237 PolarHBondContact O-N 2.89Å; V234-L238 WeakPolarHBondContact O-CB 3.46Å; V234-L238 VanDerWaalsContact O-CG 3.3Å; V234-L238 WeakPolarHBondContact O-CG 3.19Å; V234-L238 PolarHBondContact O-N 2.84Å; V234-P270 HydrophobicContact CG1-CB 3.84Å; V234-L272 HydrophobicContact CG2-CB 3.98Å; V234-A273 HydrophobicContact CB-CB 3.93Å; V234-A273 HydrophobicContact CG1-CB 3.89Å
235S98.6Very high96.1Very high1 Ų122 Ų221%0.00710%0.101CC..Hα-helixtrans-66.8-45.8-179-173.40000111.3Y231 T237 L238 Q239 E276Y231-S235 WeakPolarHBondContact O-CB 3.23Å; Y231-S235 PolarHBondContact O-N 3.48Å; S235-T237 VanDerWaalsContact C-N 3.32Å; S235-T237 PolarHBondContact O-N 2.93Å; S235-L238 PolarHBondContact O-N 3.14Å; S235-Q239 WeakPolarHBondContact O-CB 3.45Å; S235-Q239 VanDerWaalsContact O-CG 3.22Å; S235-Q239 WeakPolarHBondContact O-CG 3.34Å; S235-Q239 PolarHBondContact O-N 3.44Å; S235-Q239 PolarHBondContact O-NE2 2.99Å; S235-Q239 PolarHBondContact OG-NE2 3.08Å; S235-E276 WeakPolarHBondContact CB-OE1 3.27Å; S235-E276 PolarHBondContact OG-OE1 2.79Å
236A98.3Very high96Very high0 Ų024 Ų240%011%0.108CC..Hα-helixtrans-60.9-42.7176.900000111.8R131 V133 A157 W178 F232 D240R131-A236 HydrophobicContact CB-CB 4.49Å; V133-A236 HydrophobicContact CG2-CB 4.15Å; A157-A236 HydrophobicContact CB-CB 3.51Å; W178-A236 HydrophobicContact CD2-CB 3.66Å; W178-A236 HydrophobicContact CE3-CB 3.96Å; W178-A236 HydrophobicContact CG-CB 4.03Å; W178-A236 HydrophobicContact CH2-CB 4.4Å; W178-A236 HydrophobicContact CZ2-CB 4.13Å; W178-A236 WeakPolarHBondContact CZ2-O 3.49Å; W178-A236 HydrophobicContact CZ3-CB 4.3Å; F232-A236 VanDerWaalsContact O-CB 3.27Å; F232-A236 WeakPolarHBondContact O-CB 3.04Å; F232-A236 PolarHBondContact O-N 3.46Å; A236-D240 WeakPolarHBondContact O-CB 3.47Å; A236-D240 PolarHBondContact O-N 3.09Å; A236-D240 VanDerWaalsContact O-N 3.15Å
237T98.3Very high95.7Very high14 Ų1426.3 Ų26.39%0.08613%0.126CC..Hα-helixtrans-70-43.2-178.5-52.60000112.4L79 W178 L233 V234 S235 D240 I241L79-T237 HydrophobicContact CD2-CG2 3.57Å; W178-T237 PolarHBondContact NE1-OG1 3.31Å; L233-T237 VanDerWaalsContact O-CB 3.28Å; L233-T237 WeakPolarHBondContact O-CB 3.3Å; L233-T237 PolarHBondContact O-N 2.89Å; L233-T237 VanDerWaalsContact O-N 3.11Å; L233-T237 PolarHBondContact O-OG1 3.26Å; V234-T237 PolarHBondContact O-N 2.89Å; S235-T237 VanDerWaalsContact C-N 3.32Å; S235-T237 PolarHBondContact O-N 2.93Å; T237-D240 PolarHBondContact O-N 2.86Å; T237-I241 HydrophobicContact CG2-CD1 3.99Å; T237-I241 HydrophobicContact CG2-CG1 4.38Å; T237-I241 VanDerWaalsContact O-CG1 3.32Å; T237-I241 WeakPolarHBondContact O-CG1 3.31Å; T237-I241 PolarHBondContact O-N 3.35Å
238L98.2Very high95Very high2 Ų229.4 Ų29.41%0.0115%0.147CC..Hα-helixtrans-65.1-43.3178.6-75.2170.9000112.3V234 S235 D240 I241 L242 I263 A273 E276 L277 I280 F300V234-L238 WeakPolarHBondContact O-CB 3.46Å; V234-L238 VanDerWaalsContact O-CG 3.3Å; V234-L238 WeakPolarHBondContact O-CG 3.19Å; V234-L238 PolarHBondContact O-N 2.84Å; S235-L238 PolarHBondContact O-N 3.14Å; L238-D240 PolarHBondContact O-N 3.08Å; L238-I241 PolarHBondContact O-N 3.36Å; L238-L242 WeakPolarHBondContact O-CB 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.25Å; L238-L242 PolarHBondContact O-N 2.91Å; L238-I263 HydrophobicContact CD2-CD1 3.42Å; L238-I263 VanDerWaalsContact CD2-CD1 3.42Å; L238-A273 HydrophobicContact CD1-CB 4.06Å; L238-A273 WeakPolarHBondContact CD1-O 3.32Å; L238-E276 HydrophobicContact CD1-CB 3.75Å; L238-E276 HydrophobicContact CD1-CG 3.55Å; L238-L277 HydrophobicContact CD1-CB 4.22Å; L238-L277 HydrophobicContact CD2-CB 4.39Å; L238-L277 HydrophobicContact CD2-CD1 4.46Å; L238-I280 HydrophobicContact CB-CD1 4.14Å; L238-F300 HydrophobicContact CD2-CZ 4.38Å
239Q98Very high94.3Very high53 Ų5329.8 Ų29.825%0.24815%0.148CC..Hα-helixtrans-57.4-40.7173.7-72.8177.660.800111.5R131 I132 S235 Y243 I280R131-Q239 HydrophobicContact CG-CB 4.19Å; I132-Q239 PolarHBondContact O-NE2 3.06Å; I132-Q239 PolarHBondContact O-OE1 2.98Å; S235-Q239 WeakPolarHBondContact O-CB 3.45Å; S235-Q239 VanDerWaalsContact O-CG 3.22Å; S235-Q239 WeakPolarHBondContact O-CG 3.34Å; S235-Q239 PolarHBondContact O-N 3.44Å; S235-Q239 PolarHBondContact O-NE2 2.99Å; S235-Q239 PolarHBondContact OG-NE2 3.08Å; Q239-Y243 VanDerWaalsContact O-CB 3.28Å; Q239-Y243 WeakPolarHBondContact O-CB 3.15Å; Q239-Y243 PolarHBondContact O-N 3.22Å; Q239-I280 HydrophobicContact CG-CD1 4.47Å
240D97Very high93.5Very high8 Ų834.6 Ų34.64%0.04318%0.18CC..Hα-helixtrans-71.6-40.7179.5-170.658.6000113.4R131 R176 W178 A236 T237 L238 Y243 Q244R131-D240 IonicContact CZ-OD1 2.64Å; R131-D240 IonicContact NE-OD1 3.68Å; R131-D240 IonicContact NH2-OD1 3.38Å; R131-D240 PolarHBondContact NH2-OD1 3.13Å; R176-D240 IonicContact CZ-OD2 3.1Å; R176-D240 IonicContact NH1-OD1 2.67Å; R176-D240 PolarHBondContact NH1-OD1 3.01Å; R176-D240 VanDerWaalsContact NH1-OD1 3.1Å; R176-D240 IonicContact NH1-OD2 3.4Å; R176-D240 PolarHBondContact NH1-OD2 3.17Å; W178-D240 HydrophobicContact CH2-CB 3.86Å; W178-D240 HydrophobicContact CZ2-CB 3.9Å; A236-D240 WeakPolarHBondContact O-CB 3.47Å; A236-D240 PolarHBondContact O-N 3.09Å; A236-D240 VanDerWaalsContact O-N 3.15Å; T237-D240 PolarHBondContact O-N 2.86Å; L238-D240 PolarHBondContact O-N 3.08Å; D240-Y243 PolarHBondContact O-N 3.28Å; D240-Q244 WeakPolarHBondContact O-CB 3.4Å; D240-Q244 VanDerWaalsContact O-CG 3.3Å; D240-Q244 WeakPolarHBondContact O-CG 3.24Å; D240-Q244 PolarHBondContact O-N 3.34Å; D240-Q244 PolarHBondContact OD2-NE2 2.97Å
241I95.6Very high92.9Very high22 Ų2240.6 Ų40.611%0.11322%0.217CC..Hα-helixtrans-58-50.6172.9-71.9168.8000110.3C77 T237 L238 Y243 Q244 F245 V261 I263C77-I241 HydrophobicContact CB-CD1 3.96Å; T237-I241 HydrophobicContact CG2-CD1 3.99Å; T237-I241 HydrophobicContact CG2-CG1 4.38Å; T237-I241 VanDerWaalsContact O-CG1 3.32Å; T237-I241 WeakPolarHBondContact O-CG1 3.31Å; T237-I241 PolarHBondContact O-N 3.35Å; L238-I241 PolarHBondContact O-N 3.36Å; I241-Y243 VanDerWaalsContact C-N 3.35Å; I241-Y243 PolarHBondContact O-N 3.26Å; I241-Q244 PolarHBondContact O-N 3.46Å; I241-F245 WeakPolarHBondContact O-CB 3.49Å; I241-F245 PolarHBondContact O-N 2.99Å; I241-V261 HydrophobicContact CG2-CG1 3.94Å; I241-V261 HydrophobicContact CG2-CG2 4.2Å; I241-I263 HydrophobicContact CD1-CD1 3.79Å; I241-I263 HydrophobicContact CD1-CG1 4.06Å
242L95.3Very high92.3Very high11 Ų1143.5 Ų43.56%0.05823%0.228CC..Hα-helixtrans-66-38.4-178.1-69.8171.6000111.7L238 F245 K246 L254 L257 L277 I280L238-L242 WeakPolarHBondContact O-CB 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.25Å; L238-L242 PolarHBondContact O-N 2.91Å; L242-F245 PolarHBondContact O-N 2.79Å; L242-K246 WeakPolarHBondContact O-CB 3.33Å; L242-K246 WeakPolarHBondContact O-CG 3.06Å; L242-K246 PolarHBondContact O-N 2.86Å; L242-L254 HydrophobicContact CD2-CD2 4.35Å; L242-L257 HydrophobicContact CD2-CD1 4.35Å; L242-L257 HydrophobicContact CD2-CD2 3.93Å; L242-L277 HydrophobicContact CD1-CD1 4.29Å; L242-I280 HydrophobicContact CD1-CB 4.15Å; L242-I280 HydrophobicContact CD1-CD1 3.97Å; L242-I280 HydrophobicContact CD1-CG2 3.45Å; L242-I280 VanDerWaalsContact CD1-CG2 3.45Å
243Y93.7Very high92Very high130 Ų13049.4 Ų49.451%0.5126%0.256SS..Hα-helixtrans-60.4-46.5173.1176.5-93.3000111.7R131 Q239 D240 I241 S247R131-Y243 VanDerWaalsContact NH2-CG 3.31Å; Q239-Y243 VanDerWaalsContact O-CB 3.28Å; Q239-Y243 WeakPolarHBondContact O-CB 3.15Å; Q239-Y243 PolarHBondContact O-N 3.22Å; D240-Y243 PolarHBondContact O-N 3.28Å; I241-Y243 VanDerWaalsContact C-N 3.35Å; I241-Y243 PolarHBondContact O-N 3.26Å; Y243-S247 WeakPolarHBondContact O-CB 3.33Å; Y243-S247 PolarHBondContact O-N 2.76Å; Y243-S247 PolarHBondContact O-OG 2.82Å
244Q90.7Very high91.7Very high82 Ų8249.3 Ų49.338%0.38326%0.256SS..Hα-helixtrans-65.7-44.3178.7-71.9179.325.800111.7D240 I241 K246 S247 S248D240-Q244 WeakPolarHBondContact O-CB 3.4Å; D240-Q244 VanDerWaalsContact O-CG 3.3Å; D240-Q244 WeakPolarHBondContact O-CG 3.24Å; D240-Q244 PolarHBondContact O-N 3.34Å; D240-Q244 PolarHBondContact OD2-NE2 2.97Å; I241-Q244 PolarHBondContact O-N 3.46Å; Q244-K246 PolarHBondContact O-N 3.05Å; Q244-S247 PolarHBondContact O-N 2.89Å; Q244-S248 VanDerWaalsContact O-CB 3.24Å; Q244-S248 WeakPolarHBondContact O-CB 3.3Å; Q244-S248 PolarHBondContact O-N 2.71Å; Q244-S248 PolarHBondContact O-OG 3.04Å; Q244-S248 VanDerWaalsContact O-OG 3.06Å
245F92.1Very high91.5Very high9 Ų953.2 Ų53.24%0.03927%0.273CS..Hα-helixtrans-55.8-52.2177.3177.9-97.2000111.2I241 L242 Y249 Y252 L254 E256 L257 K260I241-F245 WeakPolarHBondContact O-CB 3.49Å; I241-F245 PolarHBondContact O-N 2.99Å; L242-F245 PolarHBondContact O-N 2.79Å; F245-Y249 PolarHBondContact O-N 2.83Å; F245-Y252 AromaticContact CE2-CD2 3.92Å; F245-Y252 HydrophobicContact CE2-CD2 3.92Å; F245-Y252 HydrophobicContact CZ-CD2 4.11Å; F245-Y252 HydrophobicContact CZ-CG 4.39Å; F245-L254 HydrophobicContact CD1-CD2 4.45Å; F245-L254 HydrophobicContact CE1-CD2 4.33Å; F245-E256 HydrophobicContact CZ-CB 4.27Å; F245-L257 HydrophobicContact CB-CD1 4.37Å; F245-L257 HydrophobicContact CD1-CD1 4.3Å; F245-L257 HydrophobicContact CD2-CD1 3.84Å; F245-L257 HydrophobicContact CE2-CB 4.47Å; F245-L257 HydrophobicContact CE2-CD1 4.17Å; F245-L257 HydrophobicContact CG-CD1 3.9Å; F245-L257 HydrophobicContact CZ-CB 4.31Å; F245-K260 HydrophobicContact CD2-CB 4.2Å; F245-K260 HydrophobicContact CE2-CB 3.82Å; F245-K260 HydrophobicContact CE2-CG 4.06Å
246K91Very high91.3Very high82 Ų8256.5 Ų56.536%0.35729%0.288SS..Hα-helixtrans-67.8-37.6179.9-69.7177.9168.6-163.30113.6L242 Q244 E285L242-K246 WeakPolarHBondContact O-CB 3.33Å; L242-K246 WeakPolarHBondContact O-CG 3.06Å; L242-K246 PolarHBondContact O-N 2.86Å; Q244-K246 PolarHBondContact O-N 3.05Å; K246-E285 IonicContact NZ-OE1 2.61Å; K246-E285 PolarHBondContact NZ-OE1 2.95Å; K246-E285 IonicContact NZ-OE2 2.63Å; K246-E285 PolarHBondContact NZ-OE2 3.45Å
247S86.4Confident91.2Very high57 Ų5756.6 Ų56.640%0.39929%0.288SS..Hα-helixtrans-78.1-34.9-175.6-59.80000113Y243 Q244Y243-S247 WeakPolarHBondContact O-CB 3.33Å; Y243-S247 PolarHBondContact O-N 2.76Å; Y243-S247 PolarHBondContact O-OG 2.82Å; Q244-S247 PolarHBondContact O-N 2.89Å
248S80.3Confident91.1Very high65 Ų6556.2 Ų56.246%0.45529%0.286SS..Hα-helixtrans-78.7-32.3-179.8-62.30000111.6Q244Q244-S248 VanDerWaalsContact O-CB 3.24Å; Q244-S248 WeakPolarHBondContact O-CB 3.3Å; Q244-S248 PolarHBondContact O-N 2.71Å; Q244-S248 PolarHBondContact O-OG 3.04Å; Q244-S248 VanDerWaalsContact O-OG 3.06Å
249Y81.1Confident90.9Very high42 Ų4260.7 Ų60.717%0.16531%0.31CS..  trans-13476.8-175.4-49.5-71.4000111.6Y68 A69 D72 F245 T251 Y252Y68-Y249 PolarHBondContact O-OH 2.86Å; A69-Y249 PolarHBondContact O-OH 2.58Å; A69-Y249 VanDerWaalsContact O-OH 3.06Å; D72-Y249 WeakPolarHBondContact CA-OH 3.18Å; D72-Y249 HydrophobicContact CB-CD1 4.47Å; D72-Y249 HydrophobicContact CB-CE1 3.5Å; D72-Y249 HydrophobicContact CB-CE2 4.42Å; D72-Y249 VanDerWaalsContact CB-CZ 3.48Å; D72-Y249 VanDerWaalsContact CB-OH 3.27Å; D72-Y249 WeakPolarHBondContact CB-OH 3.28Å; D72-Y249 WeakPolarHBondContact OD1-CE2 3.2Å; D72-Y249 PolarHBondContact OD1-OH 3.29Å; F245-Y249 PolarHBondContact O-N 2.83Å; Y249-T251 PolarHBondContact O-N 3.29Å; Y249-Y252 VanDerWaalsContact CB-CE2 3.49Å; Y249-Y252 AromaticContact CD1-CE2 3.93Å; Y249-Y252 HydrophobicContact CD1-CE2 3.93Å; Y249-Y252 AromaticContact CD2-CD2 3.94Å; Y249-Y252 HydrophobicContact CD2-CD2 3.94Å; Y249-Y252 AromaticContact CD2-CE2 3.79Å; Y249-Y252 HydrophobicContact CD2-CE2 3.79Å; Y249-Y252 AromaticContact CG-CD2 3.63Å; Y249-Y252 HydrophobicContact CG-CD2 3.63Å; Y249-Y252 AromaticContact CG-CE2 3.42Å; Y249-Y252 HydrophobicContact CG-CE2 3.42Å; Y249-Y252 VanDerWaalsContact CG-CE2 3.42Å; Y249-Y252 HydrophobicContact CG-CG 4.41Å; Y249-Y252 PolarHBondContact O-N 3.2Å
250P79.9Confident90.7Very high112 Ų11260.2 Ų60.273%0.72731%0.307SS*.THydrogen-bonded Turntrans-62.6-15.6-176.5-23.934.7000114.8
251T84.5Confident90.6Very high125 Ų12560.4 Ų60.477%0.76731%0.308SS*.THydrogen-bonded Turntrans-85.9-12177.252.20000113.2Y249Y249-T251 PolarHBondContact O-N 3.29Å
252Y85.3Confident90.7Very high62 Ų6259.3 Ų59.324%0.24330%0.303CS..  trans-79.6135.3-178.5-70-7.7000111.6D72 F245 Y249 E256 K260D72-Y252 VanDerWaalsContact OD2-CE2 3.25Å; D72-Y252 WeakPolarHBondContact OD2-CE2 3.45Å; D72-Y252 PolarHBondContact OD2-OH 2.86Å; F245-Y252 AromaticContact CE2-CD2 3.92Å; F245-Y252 HydrophobicContact CE2-CD2 3.92Å; F245-Y252 HydrophobicContact CZ-CD2 4.11Å; F245-Y252 HydrophobicContact CZ-CG 4.39Å; Y249-Y252 VanDerWaalsContact CB-CE2 3.49Å; Y249-Y252 AromaticContact CD1-CE2 3.93Å; Y249-Y252 HydrophobicContact CD1-CE2 3.93Å; Y249-Y252 AromaticContact CD2-CD2 3.94Å; Y249-Y252 HydrophobicContact CD2-CD2 3.94Å; Y249-Y252 AromaticContact CD2-CE2 3.79Å; Y249-Y252 HydrophobicContact CD2-CE2 3.79Å; Y249-Y252 AromaticContact CG-CD2 3.63Å; Y249-Y252 HydrophobicContact CG-CD2 3.63Å; Y249-Y252 AromaticContact CG-CE2 3.42Å; Y249-Y252 HydrophobicContact CG-CE2 3.42Å; Y249-Y252 VanDerWaalsContact CG-CE2 3.42Å; Y249-Y252 HydrophobicContact CG-CG 4.41Å; Y249-Y252 PolarHBondContact O-N 3.2Å; Y252-E256 WeakPolarHBondContact CA-OE2 3.45Å; Y252-E256 WeakPolarHBondContact CB-OE2 3.14Å; Y252-E256 WeakPolarHBondContact CD1-OE2 3.43Å; Y252-E256 VanDerWaalsContact CG-OE2 3.29Å; Y252-K260 HydrophobicContact CD2-CG 4.25Å; Y252-K260 HydrophobicContact CE2-CD 3.92Å; Y252-K260 HydrophobicContact CE2-CG 3.95Å; Y252-K260 WeakPolarHBondContact OH-CE 3.31Å; Y252-K260 PolarHBondContact OH-NZ 3.49Å; Y252-K260 VanDerWaalsContact OH-NZ 3.14Å
253E91.4Very high90.8Very high132 Ų13259 Ų5962%0.61730%0.301SS*.  trans-84.1154.5167.5-62.8-171.4168.800109.9F255 E256E253-F255 HydrophobicContact CB-CD2 4.47Å; E253-F255 PolarHBondContact O-N 3.36Å; E253-F255 VanDerWaalsContact O-N 3.1Å; E253-E256 WeakPolarHBondContact O-CB 3.35Å; E253-E256 PolarHBondContact O-N 2.75Å
254L92.4Very high91Very high27 Ų2752.8 Ų52.814%0.14128%0.277CS..G310 helixtrans-59.9-24.4179.1-72.1171.4000112.9L242 F245 E256 L257 L281 E285 M287 I295L242-L254 HydrophobicContact CD2-CD2 4.35Å; F245-L254 HydrophobicContact CD1-CD2 4.45Å; F245-L254 HydrophobicContact CE1-CD2 4.33Å; L254-E256 PolarHBondContact O-N 2.97Å; L254-L257 WeakPolarHBondContact O-CB 3.39Å; L254-L257 PolarHBondContact O-N 2.88Å; L254-L281 HydrophobicContact CD1-CD2 4.19Å; L254-E285 HydrophobicContact CD1-CB 3.66Å; L254-E285 HydrophobicContact CD1-CG 3.63Å; L254-M287 HydrophobicContact CB-SD 4.01Å; L254-M287 HydrophobicContact CD1-SD 3.86Å; L254-I295 HydrophobicContact CB-CD1 4.46Å
255F94.3Very high91.4Very high82 Ų8248.9 Ų48.936%0.3626%0.259SS..G310 helixtrans-60.6-21.6173.1-68.1-75.2000113.9E253 L257 P258 M287 D291 I295E253-F255 HydrophobicContact CB-CD2 4.47Å; E253-F255 PolarHBondContact O-N 3.36Å; E253-F255 VanDerWaalsContact O-N 3.1Å; F255-L257 VanDerWaalsContact C-N 3.34Å; F255-P258 WeakPolarHBondContact O-CD 3.24Å; F255-M287 HydrophobicContact CD1-CE 4.31Å; F255-M287 HydrophobicContact CE1-CE 3.77Å; F255-M287 HydrophobicContact CE2-CE 3.99Å; F255-M287 HydrophobicContact CZ-CE 3.57Å; F255-D291 HydrophobicContact CE1-CB 3.73Å; F255-D291 HydrophobicContact CZ-CB 4Å; F255-I295 HydrophobicContact CD1-CD1 4.04Å; F255-I295 HydrophobicContact CD1-CG1 4.4Å; F255-I295 HydrophobicContact CE1-CD1 4.47Å; F255-I295 HydrophobicContact CG-CD1 4.5Å
256E94.3Very high91.7Very high69 Ų6950 Ų5032%0.32227%0.265SS..G310 helixtrans-83.9-9.4176.2-60.1-165.2103.500113.2F245 Y252 E253 L254 P258 N259 K260F245-E256 HydrophobicContact CZ-CB 4.27Å; Y252-E256 WeakPolarHBondContact CA-OE2 3.45Å; Y252-E256 WeakPolarHBondContact CB-OE2 3.14Å; Y252-E256 WeakPolarHBondContact CD1-OE2 3.43Å; Y252-E256 VanDerWaalsContact CG-OE2 3.29Å; E253-E256 WeakPolarHBondContact O-CB 3.35Å; E253-E256 PolarHBondContact O-N 2.75Å; L254-E256 PolarHBondContact O-N 2.97Å; E256-P258 VanDerWaalsContact C-CD 3.44Å; E256-N259 WeakPolarHBondContact O-CA 3.5Å; E256-N259 WeakPolarHBondContact O-CB 3.1Å; E256-N259 PolarHBondContact O-N 3Å; E256-K260 PolarHBondContact O-N 2.97Å
257L95.3Very high91.8Very high3 Ų347.4 Ų47.42%0.01626%0.255CS..Hα-helixtrans-50.7-46.2-178.9-176.369.5000113.2L242 F245 L254 F255 N259 K260 V261 L277 I295 V299L242-L257 HydrophobicContact CD2-CD1 4.35Å; L242-L257 HydrophobicContact CD2-CD2 3.93Å; F245-L257 HydrophobicContact CB-CD1 4.37Å; F245-L257 HydrophobicContact CD1-CD1 4.3Å; F245-L257 HydrophobicContact CD2-CD1 3.84Å; F245-L257 HydrophobicContact CE2-CB 4.47Å; F245-L257 HydrophobicContact CE2-CD1 4.17Å; F245-L257 HydrophobicContact CG-CD1 3.9Å; F245-L257 HydrophobicContact CZ-CB 4.31Å; L254-L257 WeakPolarHBondContact O-CB 3.39Å; L254-L257 PolarHBondContact O-N 2.88Å; F255-L257 VanDerWaalsContact C-N 3.34Å; L257-N259 PolarHBondContact O-N 3.08Å; L257-K260 PolarHBondContact O-N 2.74Å; L257-V261 HydrophobicContact CD1-CB 4.03Å; L257-V261 HydrophobicContact CD1-CG2 3.75Å; L257-V261 PolarHBondContact O-N 3.3Å; L257-L277 HydrophobicContact CD2-CD1 4.43Å; L257-I295 HydrophobicContact CB-CG2 4.28Å; L257-I295 HydrophobicContact CD2-CG2 3.95Å; L257-V299 HydrophobicContact CD2-CG2 4.23Å; L257-V299 HydrophobicContact CG-CG2 4.16Å
258P95.6Very high92.3Very high5 Ų544.9 Ų44.93%0.03224%0.237CC..Hα-helixtrans-67-20.1179.7-16.531000114.3K74 F255 E256 I295 R298 V299K74-P258 WeakPolarHBondContact CE-O 3.19Å; K74-P258 PolarHBondContact NZ-O 3.38Å; F255-P258 WeakPolarHBondContact O-CD 3.24Å; E256-P258 VanDerWaalsContact C-CD 3.44Å; P258-I295 HydrophobicContact CG-CB 4.37Å; P258-I295 HydrophobicContact CG-CG1 4.46Å; P258-I295 HydrophobicContact CG-CG2 4.05Å; P258-R298 HydrophobicContact CB-CB 3.64Å; P258-R298 HydrophobicContact CG-CB 4Å; P258-V299 HydrophobicContact CB-CG2 4.01Å; P258-V299 HydrophobicContact CG-CG2 3.92Å
259N93.9Very high93Very high97 Ų9743.3 Ų43.352%0.51922%0.223SC..Hα-helixtrans-82.9-21.2176.2-62.4-27.5000111.7K74 E256 L257K74-N259 WeakPolarHBondContact CD-O 3.41Å; K74-N259 WeakPolarHBondContact CG-O 3.26Å; E256-N259 WeakPolarHBondContact O-CA 3.5Å; E256-N259 WeakPolarHBondContact O-CB 3.1Å; E256-N259 PolarHBondContact O-N 3Å; L257-N259 PolarHBondContact O-N 3.08Å
260K94.1Very high93.7Very high42 Ų4241.3 Ų41.318%0.18322%0.215CC..Hα-helixtrans-112.3-18.2-175-63.6-67.2177.9168.60114.2D72 K74 M75 F245 Y252 E256 L257D72-K260 VanDerWaalsContact CG-NZ 3.31Å; D72-K260 PolarHBondContact O-NZ 2.71Å; D72-K260 IonicContact OD1-NZ 3.36Å; D72-K260 WeakPolarHBondContact OD2-CE 3.5Å; D72-K260 IonicContact OD2-NZ 3.19Å; D72-K260 PolarHBondContact OD2-NZ 3.11Å; K74-K260 CarbonylContact C-O 3.58Å; K74-K260 WeakPolarHBondContact CA-O 3.29Å; M75-K260 PolarHBondContact N-O 3.43Å; F245-K260 HydrophobicContact CD2-CB 4.2Å; F245-K260 HydrophobicContact CE2-CB 3.82Å; F245-K260 HydrophobicContact CE2-CG 4.06Å; Y252-K260 HydrophobicContact CD2-CG 4.25Å; Y252-K260 HydrophobicContact CE2-CD 3.92Å; Y252-K260 HydrophobicContact CE2-CG 3.95Å; Y252-K260 WeakPolarHBondContact OH-CE 3.31Å; Y252-K260 PolarHBondContact OH-NZ 3.49Å; Y252-K260 VanDerWaalsContact OH-NZ 3.14Å; E256-K260 PolarHBondContact O-N 2.97Å; L257-K260 PolarHBondContact O-N 2.74Å
261V95.6Very high94.6Very high12 Ų1236 Ų367%0.07318%0.18CC..EExtended strand (participates in β ladder)trans-137.9134.7-178.5-176.40000110.4M75 I241 L257 I263M75-V261 WeakPolarHBondContact O-CA 3.42Å; I241-V261 HydrophobicContact CG2-CG1 3.94Å; I241-V261 HydrophobicContact CG2-CG2 4.2Å; L257-V261 HydrophobicContact CD1-CB 4.03Å; L257-V261 HydrophobicContact CD1-CG2 3.75Å; L257-V261 PolarHBondContact O-N 3.3Å; V261-I263 HydrophobicContact CG1-CG1 3.98Å
262V97.3Very high95.3Very high0 Ų030.1 Ų30.10%014%0.144CC..EExtended strand (participates in β ladder)trans-119.3133162.1165.20000108.8K74 M75 C77 T301 W754K74-V262 HydrophobicContact CD-CG2 4.47Å; K74-V262 VanDerWaalsContact NZ-CG2 3.31Å; M75-V262 PolarHBondContact O-N 2.75Å; C77-V262 PolarHBondContact N-O 3.37Å; V262-T301 HydrophobicContact CG1-CG2 4.27Å; V262-W754 HydrophobicContact CG1-CB 4.37Å; V262-W754 HydrophobicContact CG1-CG 4.13Å
263I98.3Very high95.9Very high3 Ų327.1 Ų27.12%0.01513%0.132CC..EExtended strand (participates in β ladder)trans-109.4116.7175.4-55.9176.2000108.1C77 L79 L238 I241 V261 V299 F300 T301C77-I263 HydrophobicContact CB-CG1 4.37Å; C77-I263 WeakPolarHBondContact O-CA 3.48Å; L79-I263 HydrophobicContact CD1-CG2 3.38Å; L79-I263 HydrophobicContact CG-CG2 3.78Å; L238-I263 HydrophobicContact CD2-CD1 3.42Å; L238-I263 VanDerWaalsContact CD2-CD1 3.42Å; I241-I263 HydrophobicContact CD1-CD1 3.79Å; I241-I263 HydrophobicContact CD1-CG1 4.06Å; V261-I263 HydrophobicContact CG1-CG1 3.98Å; I263-V299 HydrophobicContact CB-CG1 4.02Å; I263-V299 HydrophobicContact CD1-CG1 3.67Å; I263-V299 HydrophobicContact CG1-CG1 3.6Å; I263-V299 PolarHBondContact N-O 3.39Å; I263-F300 HydrophobicContact CB-CD1 3.7Å; I263-F300 HydrophobicContact CB-CE1 3.7Å; I263-F300 HydrophobicContact CD1-CE1 3.89Å; I263-F300 HydrophobicContact CD1-CZ 4.22Å; I263-F300 HydrophobicContact CG1-CE1 4.39Å; I263-F300 HydrophobicContact CG2-CD1 3.83Å; I263-F300 HydrophobicContact CG2-CE1 3.59Å; I263-F300 WeakPolarHBondContact O-CA 3.35Å; I263-T301 PolarHBondContact O-N 3.41Å
264H98.4Very high96.3Very high0 Ų020.9 Ų20.90%010%0.103CC..EExtended strand (participates in β ladder)trans-99.3116.6179.8-163.174.7000110C77 F78 L79 T301 T303 Y749 W754C77-H264 PolarHBondContact O-N 3.17Å; F78-H264 HydrophobicContact CD2-CB 4.1Å; F78-H264 AromaticContact CD2-CD2 3.64Å; F78-H264 AromaticContact CE2-CD2 3.32Å; F78-H264 WeakPolarHBondContact CE2-CD2 3.38Å; L79-H264 PolarHBondContact N-O 3.15Å; H264-T301 CarbonylContact C-O 3.53Å; H264-T301 WeakPolarHBondContact CA-O 3.35Å; H264-T301 PolarHBondContact ND1-OG1 3.41Å; H264-T303 PolarHBondContact CE1-OG1 2.98Å; H264-T303 VanDerWaalsContact CE1-OG1 3.29Å; H264-T303 PolarHBondContact NE2-OG1 2.85Å; H264-Y749 AromaticContact CE1-CD1 3.98Å; H264-Y749 AromaticContact CE1-CE1 3.55Å; H264-Y749 AromaticContact NE2-CE1 3.69Å; H264-W754 HydrophobicContact CB-CZ2 4.46Å; H264-W754 AromaticContact CG-NE1 3.62Å; H264-W754 AromaticContact ND1-NE1 3.21Å; H264-W754 PolarHBondContact ND1-NE1 3.13Å
265I98.3Very high96.6Very high0 Ų019.6 Ų19.60%010%0.096CC..EExtended strand (participates in β ladder)trans-88.2109.7179.2-52.8-179.4000108.1D267 P270 I274 F300 T301 H302 T303I265-D267 WeakPolarHBondContact CG2-O 3.44Å; I265-P270 HydrophobicContact CB-CG 4.48Å; I265-P270 HydrophobicContact CG2-CB 3.99Å; I265-P270 HydrophobicContact CG2-CG 3.57Å; I265-I274 HydrophobicContact CD1-CD1 3.92Å; I265-I274 HydrophobicContact CD1-CG1 4.08Å; I265-F300 HydrophobicContact CD1-CB 4.32Å; I265-F300 HydrophobicContact CD1-CD1 3.76Å; I265-F300 HydrophobicContact CD1-CE1 4.4Å; I265-F300 HydrophobicContact CD1-CG 4.21Å; I265-F300 HydrophobicContact CG1-CD1 3.9Å; I265-T301 PolarHBondContact N-O 3.33Å; I265-H302 HydrophobicContact CB-CB 4.48Å; I265-H302 WeakPolarHBondContact O-CA 3.33Å; I265-T303 PolarHBondContact O-N 2.84Å
266N97.3Very high96.8Very high32 Ų3215.7 Ų15.717%0.1718%0.079CC..EExtended strand (participates in β ladder)trans-86.8108.9175.8-170.643.5000110.5F78 L79 S80 P270 H305F78-N266 HydrophobicContact CD1-CB 4.47Å; F78-N266 HydrophobicContact CE1-CB 3.62Å; F78-N266 HydrophobicContact CZ-CB 3.73Å; L79-N266 WeakPolarHBondContact O-CB 3.39Å; L79-N266 PolarHBondContact O-N 3.25Å; L79-N266 VanDerWaalsContact O-N 3.1Å; S80-N266 PolarHBondContact OG-ND2 2.85Å; N266-P270 WeakPolarHBondContact O-CD 3.31Å; N266-H305 PolarHBondContact OD1-NE2 3Å
267D94.8Very high97Very high28 Ų2812.4 Ų12.415%0.156%0.064CC..SBendtrans62.1-162.4-168-145.5-36.6000112I265 H302 T303I265-D267 WeakPolarHBondContact CG2-O 3.44Å; D267-H302 PolarHBondContact O-CE1 3.43Å; D267-H302 PolarHBondContact O-ND1 3.41Å; D267-T303 VanDerWaalsContact CA-O 3.24Å; D267-T303 WeakPolarHBondContact CA-O 3.49Å; D267-T303 PolarHBondContact N-O 3.16Å
268T96.5Very high97.1Very high4 Ų412.3 Ų12.33%0.0256%0.063CC..SBendtrans-94.8-6.3-17955.10000114.3A271 K313 M369 D370T268-A271 WeakPolarHBondContact O-CB 3.45Å; T268-A271 PolarHBondContact O-N 2.76Å; T268-K313 VanDerWaalsContact OG1-CB 3.31Å; T268-K313 WeakPolarHBondContact OG1-CB 3.39Å; T268-K313 WeakPolarHBondContact OG1-CD 3Å; T268-M369 HydrophobicContact CG2-CB 4.25Å; T268-D370 HydrophobicContact CG2-CB 4.21Å; T268-D370 VanDerWaalsContact CG2-CG 3.46Å; T268-D370 WeakPolarHBondContact CG2-OD1 3.29Å
269H94Very high97.2Very high33 Ų3312.8 Ų12.815%0.1537%0.065CC..THydrogen-bonded Turntrans-55.1-42.7179.2-46.9103000113.8M81 Y214 E230 A271M81-H269 HydrophobicContact CB-CB 4.24Å; M81-H269 HydrophobicContact CG-CB 3.4Å; Y214-H269 AromaticContact CE1-CD2 3.89Å; Y214-H269 AromaticContact CE1-NE2 3.87Å; Y214-H269 AromaticContact CZ-NE2 3.95Å; Y214-H269 PolarHBondContact OH-CE1 3.27Å; Y214-H269 PolarHBondContact OH-NE2 3.18Å; E230-H269 WeakPolarHBondContact CB-O 3.21Å; E230-H269 HydrophobicContact CG-CB 4.2Å; E230-H269 VanDerWaalsContact CG-O 3.27Å; E230-H269 WeakPolarHBondContact CG-O 3.2Å; E230-H269 IonicContact OE1-CD2 3.12Å; H269-A271 VanDerWaalsContact C-N 3.3Å; H269-A271 PolarHBondContact O-N 3.24Å
270P97.4Very high97.4Very high0 Ų08.5 Ų8.50%04%0.042CC..THydrogen-bonded Turntrans-88.515.6176.313.83.5000113.8L79 V234 I265 N266 L272 A273L79-P270 HydrophobicContact CB-CB 3.7Å; L79-P270 HydrophobicContact CB-CG 3.86Å; L79-P270 HydrophobicContact CD1-CB 4.06Å; L79-P270 WeakPolarHBondContact O-CG 3.36Å; V234-P270 HydrophobicContact CG1-CB 3.84Å; I265-P270 HydrophobicContact CB-CG 4.48Å; I265-P270 HydrophobicContact CG2-CB 3.99Å; I265-P270 HydrophobicContact CG2-CG 3.57Å; N266-P270 WeakPolarHBondContact O-CD 3.31Å; P270-L272 PolarHBondContact O-N 2.95Å; P270-L272 VanDerWaalsContact O-N 3.15Å; P270-A273 WeakPolarHBondContact O-CB 3.31Å; P270-A273 PolarHBondContact O-N 2.57Å
271A98.1Very high97.6Very high0 Ų06.5 Ų6.50%03%0.033CC..THydrogen-bonded Turntrans-59.2-28.9-175.100000113.7T268 H269 A273 I274 M369 C373T268-A271 WeakPolarHBondContact O-CB 3.45Å; T268-A271 PolarHBondContact O-N 2.76Å; H269-A271 VanDerWaalsContact C-N 3.3Å; H269-A271 PolarHBondContact O-N 3.24Å; A271-A273 PolarHBondContact O-N 2.83Å; A271-A273 VanDerWaalsContact O-N 3.08Å; A271-I274 PolarHBondContact O-N 2.72Å; A271-I274 VanDerWaalsContact O-N 3.15Å; A271-M369 HydrophobicContact CB-CB 4.08Å; A271-M369 HydrophobicContact CB-CE 3.52Å; A271-C373 WeakPolarHBondContact CB-SG 3.47Å
272L98.5Very high97.6Very high1 Ų17.4 Ų7.41%0.0054%0.038CC..THydrogen-bonded Turntrans-63.6-10.2175.1-70171.4000113.8L227 Y231 V234 P270 I274 P275 E276 L320 L324 M369L227-L272 HydrophobicContact CD1-CD1 3.61Å; Y231-L272 HydrophobicContact CD2-CB 4.42Å; Y231-L272 HydrophobicContact CD2-CD1 4.4Å; V234-L272 HydrophobicContact CG2-CB 3.98Å; P270-L272 PolarHBondContact O-N 2.95Å; P270-L272 VanDerWaalsContact O-N 3.15Å; L272-I274 PolarHBondContact O-N 3.34Å; L272-P275 HydrophobicContact CD2-CG 4.17Å; L272-P275 VanDerWaalsContact O-CD 3.31Å; L272-P275 WeakPolarHBondContact O-CD 3.2Å; L272-P275 WeakPolarHBondContact O-CG 3.39Å; L272-E276 VanDerWaalsContact O-CB 3.27Å; L272-E276 WeakPolarHBondContact O-CB 3.37Å; L272-E276 PolarHBondContact O-N 3.1Å; L272-L320 HydrophobicContact CD2-CD1 4.23Å; L272-L324 HydrophobicContact CD1-CD1 3.83Å; L272-L324 HydrophobicContact CD2-CD1 4.27Å; L272-M369 HydrophobicContact CD2-CE 3.9Å; L272-M369 HydrophobicContact CG-CE 3.93Å
273A98.6Very high97.6Very high0 Ų08.9 Ų8.90%05%0.046CC..Hα-helixtrans-59.5-32.5170.800000112.3L79 V234 L238 P270 A271 L277 F300L79-A273 HydrophobicContact CD1-CB 4Å; V234-A273 HydrophobicContact CB-CB 3.93Å; V234-A273 HydrophobicContact CG1-CB 3.89Å; L238-A273 HydrophobicContact CD1-CB 4.06Å; L238-A273 WeakPolarHBondContact CD1-O 3.32Å; P270-A273 WeakPolarHBondContact O-CB 3.31Å; P270-A273 PolarHBondContact O-N 2.57Å; A271-A273 PolarHBondContact O-N 2.83Å; A271-A273 VanDerWaalsContact O-N 3.08Å; A273-L277 WeakPolarHBondContact O-CB 2.92Å; A273-L277 PolarHBondContact O-N 3.01Å; A273-F300 HydrophobicContact CB-CE1 3.57Å; A273-F300 HydrophobicContact CB-CZ 3.77Å; A273-F300 VanDerWaalsContact O-CZ 3.3Å; A273-F300 WeakPolarHBondContact O-CZ 3.15Å
274I98.7Very high97.5Very high0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-62.2-60.8178.8-66.6160000111I265 A271 L272 E276 L277 M278 W293 F300 I334 L372I265-I274 HydrophobicContact CD1-CD1 3.92Å; I265-I274 HydrophobicContact CD1-CG1 4.08Å; A271-I274 PolarHBondContact O-N 2.72Å; A271-I274 VanDerWaalsContact O-N 3.15Å; L272-I274 PolarHBondContact O-N 3.34Å; I274-E276 VanDerWaalsContact C-N 3.28Å; I274-E276 PolarHBondContact O-N 3.14Å; I274-L277 PolarHBondContact O-N 3Å; I274-M278 PolarHBondContact O-N 3.45Å; I274-W293 HydrophobicContact CG2-CZ3 4.19Å; I274-F300 HydrophobicContact CB-CE2 4.4Å; I274-F300 HydrophobicContact CG1-CD2 3.73Å; I274-F300 HydrophobicContact CG1-CE2 3.99Å; I274-F300 HydrophobicContact CG1-CG 4.04Å; I274-F300 HydrophobicContact CG1-CZ 4.49Å; I274-I334 HydrophobicContact CG2-CD1 4.23Å; I274-L372 HydrophobicContact CD1-CG 4.28Å; I274-L372 WeakPolarHBondContact CD1-O 3.37Å; I274-L372 HydrophobicContact CG2-CD1 4.07Å
275P98.6Very high97.3Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-67.3-27.4178.426-35.5000113L272 R279 H327 I330 I331 L372L272-P275 HydrophobicContact CD2-CG 4.17Å; L272-P275 VanDerWaalsContact O-CD 3.31Å; L272-P275 WeakPolarHBondContact O-CD 3.2Å; L272-P275 WeakPolarHBondContact O-CG 3.39Å; P275-R279 WeakPolarHBondContact O-CB 3.49Å; P275-R279 PolarHBondContact O-N 3.12Å; P275-H327 HydrophobicContact CB-CB 4.24Å; P275-I330 HydrophobicContact CB-CB 4.37Å; P275-I330 HydrophobicContact CB-CG2 3.83Å; P275-I331 HydrophobicContact CB-CD1 4.46Å; P275-I331 HydrophobicContact CB-CG1 3.98Å; P275-I331 HydrophobicContact CG-CD1 4.22Å; P275-I331 HydrophobicContact CG-CG1 4.14Å; P275-L372 HydrophobicContact CG-CD2 4.34Å
276E98.7Very high97.1Very high0 Ų020 Ų200%011%0.108CC..Hα-helixtrans-69.6-40.9176176.26217200112.6Y231 S235 L238 L272 I274 M278 R279 I280 H327Y231-E276 HydrophobicContact CE2-CB 4.25Å; Y231-E276 HydrophobicContact CE2-CG 4.3Å; Y231-E276 VanDerWaalsContact OH-CD 3.29Å; Y231-E276 PolarHBondContact OH-OE1 2.99Å; Y231-E276 PolarHBondContact OH-OE2 2.97Å; S235-E276 WeakPolarHBondContact CB-OE1 3.27Å; S235-E276 PolarHBondContact OG-OE1 2.79Å; L238-E276 HydrophobicContact CD1-CB 3.75Å; L238-E276 HydrophobicContact CD1-CG 3.55Å; L272-E276 VanDerWaalsContact O-CB 3.27Å; L272-E276 WeakPolarHBondContact O-CB 3.37Å; L272-E276 PolarHBondContact O-N 3.1Å; I274-E276 VanDerWaalsContact C-N 3.28Å; I274-E276 PolarHBondContact O-N 3.14Å; E276-M278 VanDerWaalsContact C-N 3.34Å; E276-R279 WeakPolarHBondContact O-CB 3.46Å; E276-R279 PolarHBondContact O-N 3.13Å; E276-R279 IonicContact OE1-CZ 2.78Å; E276-R279 IonicContact OE1-NE 2.67Å; E276-R279 IonicContact OE1-NH2 3.8Å; E276-R279 PolarHBondContact OE1-NH2 3.05Å; E276-R279 IonicContact OE2-CZ 3.75Å; E276-R279 IonicContact OE2-NE 3.94Å; E276-R279 PolarHBondContact OE2-NE 2.7Å; E276-R279 IonicContact OE2-NH2 2.52Å; E276-R279 PolarHBondContact OE2-NH2 3.16Å; E276-I280 HydrophobicContact CG-CD1 4.18Å; E276-I280 WeakPolarHBondContact O-CG1 3.28Å; E276-I280 PolarHBondContact O-N 3.19Å; E276-H327 IonicContact OE2-CD2 2.58Å; E276-H327 IonicContact OE2-CE1 3.03Å; E276-H327 IonicContact OE2-NE2 2.94Å; E276-H327 PolarHBondContact OE2-NE2 3.21Å
277L98.5Very high97Very high1 Ų119.7 Ų19.71%0.00511%0.106CC..Hα-helixtrans-63-44.5174.3-179.159000110.4L238 L242 L257 A273 I274 R279 I280 L281 C296 V299 F300L238-L277 HydrophobicContact CD1-CB 4.22Å; L238-L277 HydrophobicContact CD2-CB 4.39Å; L238-L277 HydrophobicContact CD2-CD1 4.46Å; L242-L277 HydrophobicContact CD1-CD1 4.29Å; L257-L277 HydrophobicContact CD2-CD1 4.43Å; A273-L277 WeakPolarHBondContact O-CB 2.92Å; A273-L277 PolarHBondContact O-N 3.01Å; I274-L277 PolarHBondContact O-N 3Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 3.19Å; L277-I280 PolarHBondContact O-N 3.01Å; L277-L281 HydrophobicContact CD1-CD1 4.09Å; L277-L281 HydrophobicContact CD1-CD2 4.46Å; L277-L281 HydrophobicContact CD1-CG 4.06Å; L277-L281 HydrophobicContact CG-CD1 3.94Å; L277-L281 HydrophobicContact CG-CG 4.33Å; L277-L281 VanDerWaalsContact O-CG 3.31Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 3.22Å; L277-C296 HydrophobicContact CD2-CB 4.38Å; L277-V299 HydrophobicContact CD2-CB 4.43Å; L277-V299 HydrophobicContact CD2-CG1 4.4Å; L277-F300 HydrophobicContact CB-CE2 3.99Å; L277-F300 HydrophobicContact CB-CZ 4.04Å; L277-F300 HydrophobicContact CD2-CE2 3.58Å; L277-F300 HydrophobicContact CD2-CZ 3.93Å; L277-F300 HydrophobicContact CG-CE2 4.43Å
278M98.4Very high97Very high0 Ų022.7 Ų22.70%012%0.122CC..Hα-helixtrans-56.5-43.8173.3-74.5-59.9-66.400112.1I274 E276 I280 L281 V282 W289 A292 W293 C296 I330I274-M278 PolarHBondContact O-N 3.45Å; E276-M278 VanDerWaalsContact C-N 3.34Å; M278-I280 PolarHBondContact O-N 3.45Å; M278-L281 PolarHBondContact O-N 2.63Å; M278-V282 HydrophobicContact CE-CG2 4.22Å; M278-V282 WeakPolarHBondContact O-CB 3.5Å; M278-V282 WeakPolarHBondContact O-CG2 3.47Å; M278-V282 PolarHBondContact O-N 3.5Å; M278-W289 HydrophobicContact CE-CD2 3.88Å; M278-W289 HydrophobicContact CE-CE3 3.87Å; M278-W289 HydrophobicContact CE-CH2 3.91Å; M278-W289 HydrophobicContact CE-CZ2 3.93Å; M278-W289 HydrophobicContact CE-CZ3 3.88Å; M278-A292 HydrophobicContact CE-CB 3.9Å; M278-A292 VanDerWaalsContact SD-C 3.54Å; M278-A292 HydrophobicContact SD-CB 4.01Å; M278-W293 HydrophobicContact CE-CB 4.02Å; M278-W293 HydrophobicContact CE-CE3 4.32Å; M278-W293 HydrophobicContact CG-CE3 4.2Å; M278-W293 HydrophobicContact SD-CB 4.22Å; M278-W293 HydrophobicContact SD-CE3 3.86Å; M278-C296 HydrophobicContact CG-CB 4.21Å; M278-C296 HydrophobicContact SD-CB 3.69Å; M278-I330 HydrophobicContact CB-CG2 3.66Å; M278-I330 HydrophobicContact CG-CG2 4.28Å
279R98.3Very high96.9Very high16 Ų1624.8 Ų24.86%0.0613%0.13CC..Hα-helixtrans-60-45.9177.7-167.1-169.162.5732.1111.4P275 E276 L277 D283 R326 I330P275-R279 WeakPolarHBondContact O-CB 3.49Å; P275-R279 PolarHBondContact O-N 3.12Å; E276-R279 WeakPolarHBondContact O-CB 3.46Å; E276-R279 PolarHBondContact O-N 3.13Å; E276-R279 IonicContact OE1-CZ 2.78Å; E276-R279 IonicContact OE1-NE 2.67Å; E276-R279 IonicContact OE1-NH2 3.8Å; E276-R279 PolarHBondContact OE1-NH2 3.05Å; E276-R279 IonicContact OE2-CZ 3.75Å; E276-R279 IonicContact OE2-NE 3.94Å; E276-R279 PolarHBondContact OE2-NE 2.7Å; E276-R279 IonicContact OE2-NH2 2.52Å; E276-R279 PolarHBondContact OE2-NH2 3.16Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 3.19Å; R279-D283 HydrophobicContact CG-CB 4.48Å; R279-D283 VanDerWaalsContact CG-OD2 3.26Å; R279-D283 WeakPolarHBondContact CG-OD2 3.48Å; R279-D283 WeakPolarHBondContact O-CA 3.28Å; R279-D283 WeakPolarHBondContact O-CB 3.34Å; R279-D283 PolarHBondContact O-N 3.4Å; R279-R326 HydrophobicContact CG-CG 3.87Å; R279-I330 HydrophobicContact CB-CD1 3.46Å; R279-I330 VanDerWaalsContact CB-CD1 3.46Å; R279-I330 HydrophobicContact CG-CD1 3.91Å
280I97.7Very high97Very high7 Ų728.8 Ų28.84%0.03615%0.151CC..Iπ-helixtrans-65.1-48.1-180-62.7165.3000110.1L238 Q239 L242 E276 L277 M278 V282 I284 E285L238-I280 HydrophobicContact CB-CD1 4.14Å; Q239-I280 HydrophobicContact CG-CD1 4.47Å; L242-I280 HydrophobicContact CD1-CB 4.15Å; L242-I280 HydrophobicContact CD1-CD1 3.97Å; L242-I280 HydrophobicContact CD1-CG2 3.45Å; L242-I280 VanDerWaalsContact CD1-CG2 3.45Å; E276-I280 HydrophobicContact CG-CD1 4.18Å; E276-I280 WeakPolarHBondContact O-CG1 3.28Å; E276-I280 PolarHBondContact O-N 3.19Å; L277-I280 PolarHBondContact O-N 3.01Å; M278-I280 PolarHBondContact O-N 3.45Å; I280-V282 PolarHBondContact O-N 3.23Å; I280-I284 HydrophobicContact CG1-CD1 4.29Å; I280-I284 HydrophobicContact CG2-CB 4.4Å; I280-I284 HydrophobicContact CG2-CD1 4.3Å; I280-I284 WeakPolarHBondContact O-CA 3.29Å; I280-I284 VanDerWaalsContact O-CB 3.28Å; I280-I284 WeakPolarHBondContact O-CB 3.49Å; I280-I284 PolarHBondContact O-N 3.06Å; I280-I284 VanDerWaalsContact O-N 3.09Å; I280-E285 HydrophobicContact CG2-CG 4.36Å; I280-E285 PolarHBondContact O-N 3.15Å
281L97.4Very high97Very high0 Ų032 Ų320%017%0.168CC..Iπ-helixtrans-63.3-43-178.7-64.3176.1000112.6L254 L277 M278 E285 C286 M287 A292 I295L254-L281 HydrophobicContact CD1-CD2 4.19Å; L277-L281 HydrophobicContact CD1-CD1 4.09Å; L277-L281 HydrophobicContact CD1-CD2 4.46Å; L277-L281 HydrophobicContact CD1-CG 4.06Å; L277-L281 HydrophobicContact CG-CD1 3.94Å; L277-L281 HydrophobicContact CG-CG 4.33Å; L277-L281 VanDerWaalsContact O-CG 3.31Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 3.22Å; M278-L281 PolarHBondContact O-N 2.63Å; L281-E285 CarbonylContact O-C 3.55Å; L281-E285 WeakPolarHBondContact O-CB 3.5Å; L281-C286 PolarHBondContact O-N 3.47Å; L281-M287 HydrophobicContact CB-SD 4.23Å; L281-M287 HydrophobicContact CD2-SD 3.88Å; L281-M287 WeakPolarHBondContact O-CB 3.39Å; L281-M287 PolarHBondContact O-N 3.3Å; L281-A292 HydrophobicContact CB-CB 3.75Å; L281-A292 HydrophobicContact CD1-CB 4.13Å; L281-I295 HydrophobicContact CD1-CB 4.13Å; L281-I295 HydrophobicContact CD1-CG2 3.9Å
282V96.9Very high96.9Very high30 Ų3032 Ų3218%0.18217%0.168CC..Iπ-helixtrans-81.6-52.9-177.2176.70000111.8M278 I280 C286 W289 A292M278-V282 HydrophobicContact CE-CG2 4.22Å; M278-V282 WeakPolarHBondContact O-CB 3.5Å; M278-V282 WeakPolarHBondContact O-CG2 3.47Å; M278-V282 PolarHBondContact O-N 3.5Å; I280-V282 PolarHBondContact O-N 3.23Å; V282-C286 VanDerWaalsContact O-CA 3.28Å; V282-C286 WeakPolarHBondContact O-CA 3.47Å; V282-C286 PolarHBondContact O-N 3.02Å; V282-W289 HydrophobicContact CG2-CE3 4.17Å; V282-A292 HydrophobicContact CG2-CB 3.73Å
283D96.9Very high96.9Very high32 Ų3233.5 Ų33.517%0.17117%0.174CC..Iπ-helixtrans-83.8-29.2-169.3-58-13.1000112.8R279 R326R279-D283 HydrophobicContact CG-CB 4.48Å; R279-D283 VanDerWaalsContact CG-OD2 3.26Å; R279-D283 WeakPolarHBondContact CG-OD2 3.48Å; R279-D283 WeakPolarHBondContact O-CA 3.28Å; R279-D283 WeakPolarHBondContact O-CB 3.34Å; R279-D283 PolarHBondContact O-N 3.4Å; D283-R326 IonicContact OD1-CZ 3.39Å; D283-R326 IonicContact OD1-NE 2.65Å; D283-R326 PolarHBondContact OD1-NE 3.38Å; D283-R326 IonicContact OD1-NH2 2.84Å; D283-R326 PolarHBondContact OD1-NH2 2.92Å; D283-R326 WeakPolarHBondContact OD2-CG 3.46Å; D283-R326 IonicContact OD2-CZ 2.78Å; D283-R326 IonicContact OD2-NE 3.22Å; D283-R326 PolarHBondContact OD2-NE 2.91Å; D283-R326 IonicContact OD2-NH2 3.9Å
284I95.1Very high96.8Very high95 Ų9536.8 Ų36.849%0.48719%0.192SC..Iπ-helixtrans-102.9-49.9-176.8-58.6175.6000110.8I280 C286I280-I284 HydrophobicContact CG1-CD1 4.29Å; I280-I284 HydrophobicContact CG2-CB 4.4Å; I280-I284 HydrophobicContact CG2-CD1 4.3Å; I280-I284 WeakPolarHBondContact O-CA 3.29Å; I280-I284 VanDerWaalsContact O-CB 3.28Å; I280-I284 WeakPolarHBondContact O-CB 3.49Å; I280-I284 PolarHBondContact O-N 3.06Å; I280-I284 VanDerWaalsContact O-N 3.09Å; I284-C286 VanDerWaalsContact C-N 3.29Å
285E94.5Very high96.8Very high58 Ų5836.8 Ų36.827%0.27119%0.192SC..SBendtrans-84.4-4.8-179.2-50.8-62.2160.800113.2K246 L254 I280 L281 M287K246-E285 IonicContact NZ-OE1 2.61Å; K246-E285 PolarHBondContact NZ-OE1 2.95Å; K246-E285 IonicContact NZ-OE2 2.63Å; K246-E285 PolarHBondContact NZ-OE2 3.45Å; L254-E285 HydrophobicContact CD1-CB 3.66Å; L254-E285 HydrophobicContact CD1-CG 3.63Å; I280-E285 HydrophobicContact CG2-CG 4.36Å; I280-E285 PolarHBondContact O-N 3.15Å; L281-E285 CarbonylContact O-C 3.55Å; L281-E285 WeakPolarHBondContact O-CB 3.5Å; E285-M287 HydrophobicContact CB-CG 4.18Å; E285-M287 PolarHBondContact O-N 2.97Å
286C93.9Very high96.7Very high83 Ų8336.8 Ų36.856%0.56119%0.192SC*.  trans57.832.8176.1-56.10000113.6L281 V282 I284L281-C286 PolarHBondContact O-N 3.47Å; V282-C286 VanDerWaalsContact O-CA 3.28Å; V282-C286 WeakPolarHBondContact O-CA 3.47Å; V282-C286 PolarHBondContact O-N 3.02Å; I284-C286 VanDerWaalsContact C-N 3.29Å
287M94.7Very high96.4Very high26 Ų2638.2 Ų38.213%0.12820%0.201CC..  trans-77.2149.4175.9-62.9-16867.200111.8L254 F255 L281 E285 D291 A292 I295L254-M287 HydrophobicContact CB-SD 4.01Å; L254-M287 HydrophobicContact CD1-SD 3.86Å; F255-M287 HydrophobicContact CD1-CE 4.31Å; F255-M287 HydrophobicContact CE1-CE 3.77Å; F255-M287 HydrophobicContact CE2-CE 3.99Å; F255-M287 HydrophobicContact CZ-CE 3.57Å; L281-M287 HydrophobicContact CB-SD 4.23Å; L281-M287 HydrophobicContact CD2-SD 3.88Å; L281-M287 WeakPolarHBondContact O-CB 3.39Å; L281-M287 PolarHBondContact O-N 3.3Å; E285-M287 HydrophobicContact CB-CG 4.18Å; E285-M287 PolarHBondContact O-N 2.97Å; M287-D291 HydrophobicContact CE-CB 4.06Å; M287-A292 HydrophobicContact CB-CB 4.3Å; M287-I295 HydrophobicContact CE-CD1 3.46Å; M287-I295 VanDerWaalsContact CE-CD1 3.46Å; M287-I295 HydrophobicContact SD-CD1 3.93Å
288D94.8Very high96.3Very high90 Ų9042.1 Ų42.148%0.48122%0.216SC..  trans-59.9147.4167.9-178.2-95.2000110.7I290 D291 A292D288-I290 VanDerWaalsContact C-N 3.32Å; D288-I290 PolarHBondContact O-N 3.46Å; D288-I290 WeakPolarHBondContact OD1-CB 3.42Å; D288-I290 PolarHBondContact OD1-N 3.32Å; D288-D291 HydrophobicContact CB-CB 4.4Å; D288-D291 PolarHBondContact O-N 3.4Å; D288-A292 WeakPolarHBondContact O-CB 3.45Å; D288-A292 PolarHBondContact O-N 3.36Å
289W95.6Very high96.3Very high49 Ų4942.1 Ų42.119%0.18622%0.216CC..Hα-helixtrans-58.1-42.2-177.4178.1-86.8000112.9M278 V282 W293 I330 N333 I334M278-W289 HydrophobicContact CE-CD2 3.88Å; M278-W289 HydrophobicContact CE-CE3 3.87Å; M278-W289 HydrophobicContact CE-CH2 3.91Å; M278-W289 HydrophobicContact CE-CZ2 3.93Å; M278-W289 HydrophobicContact CE-CZ3 3.88Å; V282-W289 HydrophobicContact CG2-CE3 4.17Å; W289-W293 VanDerWaalsContact O-CB 3.29Å; W289-W293 WeakPolarHBondContact O-CB 3.47Å; W289-W293 PolarHBondContact O-N 3.36Å; W289-I330 HydrophobicContact CH2-CB 4.36Å; W289-I330 HydrophobicContact CH2-CG2 3.9Å; W289-I330 HydrophobicContact CZ3-CG1 4.33Å; W289-I330 HydrophobicContact CZ3-CG2 4.34Å; W289-N333 HydrophobicContact CH2-CB 3.31Å; W289-N333 HydrophobicContact CZ2-CB 3.36Å; W289-N333 HydrophobicContact CZ3-CB 3.99Å; W289-I334 HydrophobicContact CH2-CG1 4.27Å; W289-I334 HydrophobicContact CZ2-CG1 3.98Å
290I95.8Very high96.3Very high117 Ų11741.3 Ų41.360%0.621%0.213SC*.Hα-helixtrans-67.9-43.7-176.5-62.2175.4000109.7D288 W293 D294D288-I290 VanDerWaalsContact C-N 3.32Å; D288-I290 PolarHBondContact O-N 3.46Å; D288-I290 WeakPolarHBondContact OD1-CB 3.42Å; D288-I290 PolarHBondContact OD1-N 3.32Å; I290-W293 PolarHBondContact O-N 2.72Å; I290-D294 PolarHBondContact O-N 3.09Å
291D96.9Very high96.3Very high67 Ų6741 Ų4136%0.35821%0.211SC..Hα-helixtrans-64.8-44.2177.8-71.6-20000111.8F255 M287 D288 W293 D294 I295F255-D291 HydrophobicContact CE1-CB 3.73Å; F255-D291 HydrophobicContact CZ-CB 4Å; M287-D291 HydrophobicContact CE-CB 4.06Å; D288-D291 HydrophobicContact CB-CB 4.4Å; D288-D291 PolarHBondContact O-N 3.4Å; D291-W293 VanDerWaalsContact C-N 3.34Å; D291-W293 PolarHBondContact O-N 3.12Å; D291-D294 PolarHBondContact O-N 3.47Å; D291-I295 WeakPolarHBondContact O-CG1 3.34Å; D291-I295 PolarHBondContact O-N 2.78Å; D291-I295 VanDerWaalsContact O-N 3.12Å
292A97.6Very high96.3Very high0 Ų041 Ų410%021%0.211CC..Hα-helixtrans-62.4-40.9175.300000112M278 L281 V282 M287 D288 I295 C296M278-A292 HydrophobicContact CE-CB 3.9Å; M278-A292 VanDerWaalsContact SD-C 3.54Å; M278-A292 HydrophobicContact SD-CB 4.01Å; L281-A292 HydrophobicContact CB-CB 3.75Å; L281-A292 HydrophobicContact CD1-CB 4.13Å; V282-A292 HydrophobicContact CG2-CB 3.73Å; M287-A292 HydrophobicContact CB-CB 4.3Å; D288-A292 WeakPolarHBondContact O-CB 3.45Å; D288-A292 PolarHBondContact O-N 3.36Å; A292-I295 PolarHBondContact O-N 3.12Å; A292-C296 VanDerWaalsContact O-CB 3.32Å; A292-C296 WeakPolarHBondContact O-CB 3.32Å; A292-C296 PolarHBondContact O-N 3.39Å
293W97.6Very high96.4Very high32 Ų3239.6 Ų39.612%0.12120%0.203CC..Hα-helixtrans-68.6-37.8178.4-177.7-113.8000112.6I274 M278 W289 I290 D291 C296 S297 I334 I375I274-W293 HydrophobicContact CG2-CZ3 4.19Å; M278-W293 HydrophobicContact CE-CB 4.02Å; M278-W293 HydrophobicContact CE-CE3 4.32Å; M278-W293 HydrophobicContact CG-CE3 4.2Å; M278-W293 HydrophobicContact SD-CB 4.22Å; M278-W293 HydrophobicContact SD-CE3 3.86Å; W289-W293 VanDerWaalsContact O-CB 3.29Å; W289-W293 WeakPolarHBondContact O-CB 3.47Å; W289-W293 PolarHBondContact O-N 3.36Å; I290-W293 PolarHBondContact O-N 2.72Å; D291-W293 VanDerWaalsContact C-N 3.34Å; D291-W293 PolarHBondContact O-N 3.12Å; W293-C296 HydrophobicContact CE3-CB 4.34Å; W293-C296 PolarHBondContact O-N 3.42Å; W293-S297 WeakPolarHBondContact O-CB 3.43Å; W293-S297 PolarHBondContact O-N 2.65Å; W293-S297 PolarHBondContact O-OG 2.98Å; W293-I334 HydrophobicContact CE3-CD1 4.35Å; W293-I334 HydrophobicContact CE3-CG1 4.09Å; W293-I334 HydrophobicContact CH2-CB 4.49Å; W293-I334 HydrophobicContact CH2-CD1 4.23Å; W293-I334 HydrophobicContact CH2-CG1 4.12Å; W293-I334 HydrophobicContact CH2-CG2 3.58Å; W293-I334 HydrophobicContact CZ2-CG2 4.14Å; W293-I334 HydrophobicContact CZ3-CB 4.49Å; W293-I334 HydrophobicContact CZ3-CD1 3.61Å; W293-I334 HydrophobicContact CZ3-CG1 3.65Å; W293-I334 HydrophobicContact CZ3-CG2 4.03Å; W293-I375 HydrophobicContact CH2-CG2 4.11Å; W293-I375 HydrophobicContact CZ2-CG2 3.99Å
294D96.8Very high96.4Very high70 Ų7038.1 Ų38.137%0.37420%0.195SC..Hα-helixtrans-61-45.1173.317771.3000111.3I290 D291 S297 R298I290-D294 PolarHBondContact O-N 3.09Å; D291-D294 PolarHBondContact O-N 3.47Å; D294-S297 PolarHBondContact O-OG 3.5Å; D294-R298 VanDerWaalsContact O-CG 3.3Å; D294-R298 WeakPolarHBondContact O-CG 3.38Å; D294-R298 PolarHBondContact O-N 2.95Å; D294-R298 PolarHBondContact O-NE 3.23Å; D294-R298 IonicContact OD1-NE 3.12Å; D294-R298 PolarHBondContact OD1-NE 2.9Å; D294-R298 IonicContact OD2-CZ 2.84Å; D294-R298 IonicContact OD2-NE 3.82Å; D294-R298 PolarHBondContact OD2-NE 3.43Å; D294-R298 IonicContact OD2-NH2 3.62Å; D294-R298 PolarHBondContact OD2-NH2 3.47Å
295I97.2Very high96.2Very high0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-60.2-52173.3-68.2168.4000110.5L254 F255 L257 P258 L281 M287 D291 A292 S297 R298 V299L254-I295 HydrophobicContact CB-CD1 4.46Å; F255-I295 HydrophobicContact CD1-CD1 4.04Å; F255-I295 HydrophobicContact CD1-CG1 4.4Å; F255-I295 HydrophobicContact CE1-CD1 4.47Å; F255-I295 HydrophobicContact CG-CD1 4.5Å; L257-I295 HydrophobicContact CB-CG2 4.28Å; L257-I295 HydrophobicContact CD2-CG2 3.95Å; P258-I295 HydrophobicContact CG-CB 4.37Å; P258-I295 HydrophobicContact CG-CG1 4.46Å; P258-I295 HydrophobicContact CG-CG2 4.05Å; L281-I295 HydrophobicContact CD1-CB 4.13Å; L281-I295 HydrophobicContact CD1-CG2 3.9Å; M287-I295 HydrophobicContact CE-CD1 3.46Å; M287-I295 VanDerWaalsContact CE-CD1 3.46Å; M287-I295 HydrophobicContact SD-CD1 3.93Å; D291-I295 WeakPolarHBondContact O-CG1 3.34Å; D291-I295 PolarHBondContact O-N 2.78Å; D291-I295 VanDerWaalsContact O-N 3.12Å; A292-I295 PolarHBondContact O-N 3.12Å; I295-S297 PolarHBondContact O-N 2.97Å; I295-R298 PolarHBondContact O-N 3.03Å; I295-V299 HydrophobicContact CG2-CG2 4.23Å; I295-V299 VanDerWaalsContact O-CG2 3.31Å; I295-V299 WeakPolarHBondContact O-CG2 3.12Å; I295-V299 PolarHBondContact O-N 3.36Å; I295-V299 VanDerWaalsContact O-N 3.12Å
296C96.6Very high95.9Very high0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-57.5-50.3-175.8-176.20000111.9L277 M278 A292 W293 R298 V299 F300L277-C296 HydrophobicContact CD2-CB 4.38Å; M278-C296 HydrophobicContact CG-CB 4.21Å; M278-C296 HydrophobicContact SD-CB 3.69Å; A292-C296 VanDerWaalsContact O-CB 3.32Å; A292-C296 WeakPolarHBondContact O-CB 3.32Å; A292-C296 PolarHBondContact O-N 3.39Å; W293-C296 HydrophobicContact CE3-CB 4.34Å; W293-C296 PolarHBondContact O-N 3.42Å; C296-R298 PolarHBondContact O-N 3.06Å; C296-V299 PolarHBondContact O-N 2.98Å; C296-F300 VanDerWaalsContact O-CD2 3.3Å; C296-F300 WeakPolarHBondContact O-CD2 3.43Å; C296-F300 PolarHBondContact O-N 3.4Å; C296-F300 VanDerWaalsContact SG-CE2 3.56Å
297S94Very high95.4Very high29 Ų2930.9 Ų30.920%0.20315%0.153CC..Hα-helixtrans-63.3-28.1-178.363.80000113.2W293 D294 I295 H378W293-S297 WeakPolarHBondContact O-CB 3.43Å; W293-S297 PolarHBondContact O-N 2.65Å; W293-S297 PolarHBondContact O-OG 2.98Å; D294-S297 PolarHBondContact O-OG 3.5Å; I295-S297 PolarHBondContact O-N 2.97Å; S297-H378 VanDerWaalsContact O-CB 3.32Å; S297-H378 WeakPolarHBondContact O-CB 3.33Å; S297-H378 PolarHBondContact O-N 3.27Å; S297-H378 PolarHBondContact O-ND1 2.86Å; S297-H378 VanDerWaalsContact O-ND1 3.16Å
298R96.6Very high94.8Very high83 Ų8330.5 Ų30.531%0.31315%0.151SC..Hα-helixtrans-87-15.2177.6-66.3-171.6-66.9134.7-2.4114.6P258 D294 I295 C296 H378P258-R298 HydrophobicContact CB-CB 3.64Å; P258-R298 HydrophobicContact CG-CB 4Å; D294-R298 VanDerWaalsContact O-CG 3.3Å; D294-R298 WeakPolarHBondContact O-CG 3.38Å; D294-R298 PolarHBondContact O-N 2.95Å; D294-R298 PolarHBondContact O-NE 3.23Å; D294-R298 IonicContact OD1-NE 3.12Å; D294-R298 PolarHBondContact OD1-NE 2.9Å; D294-R298 IonicContact OD2-CZ 2.84Å; D294-R298 IonicContact OD2-NE 3.82Å; D294-R298 PolarHBondContact OD2-NE 3.43Å; D294-R298 IonicContact OD2-NH2 3.62Å; D294-R298 PolarHBondContact OD2-NH2 3.47Å; I295-R298 PolarHBondContact O-N 3.03Å; C296-R298 PolarHBondContact O-N 3.06Å; R298-H378 PolarHBondContact O-CE1 2.73Å; R298-H378 PolarHBondContact O-ND1 2.99Å
299V97.2Very high94.2Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-87.1-37.8179.61690000112.2L257 P258 I263 L277 I295 C296L257-V299 HydrophobicContact CD2-CG2 4.23Å; L257-V299 HydrophobicContact CG-CG2 4.16Å; P258-V299 HydrophobicContact CB-CG2 4.01Å; P258-V299 HydrophobicContact CG-CG2 3.92Å; I263-V299 HydrophobicContact CB-CG1 4.02Å; I263-V299 HydrophobicContact CD1-CG1 3.67Å; I263-V299 HydrophobicContact CG1-CG1 3.6Å; I263-V299 PolarHBondContact N-O 3.39Å; L277-V299 HydrophobicContact CD2-CB 4.43Å; L277-V299 HydrophobicContact CD2-CG1 4.4Å; I295-V299 HydrophobicContact CG2-CG2 4.23Å; I295-V299 VanDerWaalsContact O-CG2 3.31Å; I295-V299 WeakPolarHBondContact O-CG2 3.12Å; I295-V299 PolarHBondContact O-N 3.36Å; I295-V299 VanDerWaalsContact O-N 3.12Å; C296-V299 PolarHBondContact O-N 2.98Å
300F98.3Very high93.5Very high0 Ų034.4 Ų34.40%017%0.174CC..EExtended strand (participates in β ladder)trans-89.9139.6-170.7-68.9-69.3000114.5L238 I263 I265 A273 I274 L277 C296 S377 H378L238-F300 HydrophobicContact CD2-CZ 4.38Å; I263-F300 HydrophobicContact CB-CD1 3.7Å; I263-F300 HydrophobicContact CB-CE1 3.7Å; I263-F300 HydrophobicContact CD1-CE1 3.89Å; I263-F300 HydrophobicContact CD1-CZ 4.22Å; I263-F300 HydrophobicContact CG1-CE1 4.39Å; I263-F300 HydrophobicContact CG2-CD1 3.83Å; I263-F300 HydrophobicContact CG2-CE1 3.59Å; I263-F300 WeakPolarHBondContact O-CA 3.35Å; I265-F300 HydrophobicContact CD1-CB 4.32Å; I265-F300 HydrophobicContact CD1-CD1 3.76Å; I265-F300 HydrophobicContact CD1-CE1 4.4Å; I265-F300 HydrophobicContact CD1-CG 4.21Å; I265-F300 HydrophobicContact CG1-CD1 3.9Å; A273-F300 HydrophobicContact CB-CE1 3.57Å; A273-F300 HydrophobicContact CB-CZ 3.77Å; A273-F300 VanDerWaalsContact O-CZ 3.3Å; A273-F300 WeakPolarHBondContact O-CZ 3.15Å; I274-F300 HydrophobicContact CB-CE2 4.4Å; I274-F300 HydrophobicContact CG1-CD2 3.73Å; I274-F300 HydrophobicContact CG1-CE2 3.99Å; I274-F300 HydrophobicContact CG1-CG 4.04Å; I274-F300 HydrophobicContact CG1-CZ 4.49Å; L277-F300 HydrophobicContact CB-CE2 3.99Å; L277-F300 HydrophobicContact CB-CZ 4.04Å; L277-F300 HydrophobicContact CD2-CE2 3.58Å; L277-F300 HydrophobicContact CD2-CZ 3.93Å; L277-F300 HydrophobicContact CG-CE2 4.43Å; C296-F300 VanDerWaalsContact O-CD2 3.3Å; C296-F300 WeakPolarHBondContact O-CD2 3.43Å; C296-F300 PolarHBondContact O-N 3.4Å; C296-F300 VanDerWaalsContact SG-CE2 3.56Å; F300-S377 CarbonylContact O-C 3.59Å; F300-S377 VanDerWaalsContact O-CA 3.25Å; F300-S377 WeakPolarHBondContact O-CA 3.27Å; F300-S377 WeakPolarHBondContact O-CB 3.36Å; F300-H378 PolarHBondContact O-CE1 3.27Å; F300-H378 VanDerWaalsContact O-CE1 3.22Å; F300-H378 PolarHBondContact O-N 2.61Å; F300-H378 PolarHBondContact O-ND1 3.47Å
301T98.1Very high92.9Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-130.6148.8168.4540000108.8V262 I263 H264 I265 H378 F379 I753V262-T301 HydrophobicContact CG1-CG2 4.27Å; I263-T301 PolarHBondContact O-N 3.41Å; H264-T301 CarbonylContact C-O 3.53Å; H264-T301 WeakPolarHBondContact CA-O 3.35Å; H264-T301 PolarHBondContact ND1-OG1 3.41Å; I265-T301 PolarHBondContact N-O 3.33Å; T301-H378 WeakPolarHBondContact CG2-CE1 3.43Å; T301-H378 VanDerWaalsContact CG2-NE2 3.29Å; T301-H378 WeakPolarHBondContact CG2-NE2 3.44Å; T301-F379 HydrophobicContact CG2-CB 4.09Å; T301-F379 HydrophobicContact CG2-CD2 4.35Å; T301-I753 HydrophobicContact CG2-CG2 3.6Å
302H98.1Very high92.6Very high0 Ų029.9 Ų29.90%016%0.155CC..EExtended strand (participates in β ladder)trans-131.2131.8-172.4167.962.4000112.3I265 D267 C373 F379 V380 N381I265-H302 HydrophobicContact CB-CB 4.48Å; I265-H302 WeakPolarHBondContact O-CA 3.33Å; D267-H302 PolarHBondContact O-CE1 3.43Å; D267-H302 PolarHBondContact O-ND1 3.41Å; H302-C373 HydrophobicContact CB-CB 4.25Å; H302-F379 PolarHBondContact N-O 3.32Å; H302-V380 CarbonylContact O-C 3.54Å; H302-V380 VanDerWaalsContact O-CA 3.26Å; H302-V380 WeakPolarHBondContact O-CA 3.35Å; H302-N381 PolarHBondContact O-N 3.04Å; H302-N381 PolarHBondContact O-OD1 3.34Å
303T98.1Very high92.3Very high1 Ų131 Ų311%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-104.1125.2166.9-66.30000109.8H264 I265 D267 H305 N381 V383 Y749H264-T303 PolarHBondContact CE1-OG1 2.98Å; H264-T303 VanDerWaalsContact CE1-OG1 3.29Å; H264-T303 PolarHBondContact NE2-OG1 2.85Å; I265-T303 PolarHBondContact O-N 2.84Å; D267-T303 VanDerWaalsContact CA-O 3.24Å; D267-T303 WeakPolarHBondContact CA-O 3.49Å; D267-T303 PolarHBondContact N-O 3.16Å; T303-H305 WeakPolarHBondContact CG2-NE2 3.36Å; T303-N381 WeakPolarHBondContact CA-O 3.34Å; T303-N381 WeakPolarHBondContact CG2-ND2 3.45Å; T303-N381 PolarHBondContact OG1-ND2 2.95Å; T303-N381 PolarHBondContact OG1-OD1 3.1Å; T303-N381 VanDerWaalsContact OG1-OD1 3.05Å; T303-V383 HydrophobicContact CG2-CG1 3.46Å; T303-V383 VanDerWaalsContact CG2-CG1 3.46Å; T303-Y749 PolarHBondContact OG1-OH 2.99Å; T303-Y749 VanDerWaalsContact OG1-OH 3.11Å
304N96.3Very high92.2Very high0 Ų032.6 Ų32.60%017%0.167CC..  trans-94.6131.3172.5-176.1-77000110.5V306 D370 N381 Q387 L391N304-V306 PolarHBondContact OD1-N 3.46Å; N304-V306 PolarHBondContact OD1-O 3.16Å; N304-D370 PolarHBondContact ND2-OD1 3.31Å; N304-N381 PolarHBondContact N-O 3.39Å; N304-Q387 PolarHBondContact O-NE2 2.76Å; N304-Q387 PolarHBondContact OD1-NE2 3.44Å; N304-L391 HydrophobicContact CB-CD1 4.04Å
305H92.6Very high92.1Very high60 Ų6029.6 Ų29.628%0.27815%0.15SC..  trans-110.55.8177.9-66.5-95.3000113.5N266 T303 A602N266-H305 PolarHBondContact OD1-NE2 3Å; T303-H305 WeakPolarHBondContact CG2-NE2 3.36Å; H305-A602 VanDerWaalsContact O-CB 3.23Å; H305-A602 WeakPolarHBondContact O-CB 3.22Å
306V86.3Confident92Very high14 Ų1430.3 Ų30.39%0.08516%0.155CC..  trans-95.5144.1-175.2176.90000110N304 Q308 C311 L312 Q387N304-V306 PolarHBondContact OD1-N 3.46Å; N304-V306 PolarHBondContact OD1-O 3.16Å; V306-Q308 WeakPolarHBondContact CG1-O 3.1Å; V306-C311 HydrophobicContact CG1-CB 3.6Å; V306-C311 HydrophobicContact CG2-CB 4.33Å; V306-L312 HydrophobicContact CG1-CD2 4.1Å; V306-Q387 PolarHBondContact O-NE2 3.07Å
307S83.6Confident92.1Very high10 Ų1031.9 Ų31.97%0.0716%0.163CC..  trans-122.1-9.5172.3-58.90000113.1Q387 H390 A602S307-Q387 WeakPolarHBondContact OG-CG 3.48Å; S307-H390 PolarHBondContact O-CD2 3.49Å; S307-H390 PolarHBondContact O-NE2 3.11Å; S307-A602 VanDerWaalsContact OG-CA 3.22Å; S307-A602 WeakPolarHBondContact OG-CA 2.9Å; S307-A602 WeakPolarHBondContact OG-CB 3.1Å; S307-A602 PolarHBondContact OG-N 3.09Å
308Q82Confident92.2Very high19 Ų1936.3 Ų36.39%0.08918%0.184CC..SBendtrans-122.9137.2-172.9-59.4-175.9-92.900110.1V306 E310 C311 T600V306-Q308 WeakPolarHBondContact CG1-O 3.1Å; Q308-E310 HydrophobicContact CB-CG 4.17Å; Q308-E310 WeakPolarHBondContact CB-OE2 3.46Å; Q308-E310 PolarHBondContact NE2-OE1 3Å; Q308-E310 PolarHBondContact O-N 3.2Å; Q308-C311 PolarHBondContact O-N 3.49Å; Q308-T600 HydrophobicContact CG-CG2 4.45Å
309V82.9Confident92.2Very high86 Ų8632.4 Ų32.452%0.52117%0.17SC..G310 helixtrans-59.6-38-177178.80000111.3C311 L312 L395V309-C311 PolarHBondContact O-N 3.42Å; V309-C311 VanDerWaalsContact O-N 3.16Å; V309-L312 HydrophobicContact CG1-CD1 4.24Å; V309-L312 WeakPolarHBondContact O-CB 3.41Å; V309-L312 WeakPolarHBondContact O-CG 3.29Å; V309-L312 PolarHBondContact O-N 3.45Å; V309-L312 VanDerWaalsContact O-N 3.09Å; V309-L395 HydrophobicContact CG2-CD2 3.4Å; V309-L395 VanDerWaalsContact CG2-CD2 3.4Å
310E80.3Confident92.1Very high134 Ų13432.4 Ų32.463%0.62617%0.17SC*.G310 helixtrans-66.2-11.9178.762.9-92-15000114.4Q308Q308-E310 HydrophobicContact CB-CG 4.17Å; Q308-E310 WeakPolarHBondContact CB-OE2 3.46Å; Q308-E310 PolarHBondContact NE2-OE1 3Å; Q308-E310 PolarHBondContact O-N 3.2Å
311C83.9Confident92.1Very high71 Ų7135 Ų3548%0.4818%0.182SC..G310 helixtrans-102.5-1.2176.2-63.50000112.8V306 Q308 V309V306-C311 HydrophobicContact CG1-CB 3.6Å; V306-C311 HydrophobicContact CG2-CB 4.33Å; Q308-C311 PolarHBondContact O-N 3.49Å; V309-C311 PolarHBondContact O-N 3.42Å; V309-C311 VanDerWaalsContact O-N 3.16Å
312L89.9Confident92Very high18 Ų1839.5 Ų39.59%0.09420%0.199CC..SBendtrans-65.5146.3171.4-63.7176.5000109.9V306 V309 Y314 D370 F396V306-L312 HydrophobicContact CG1-CD2 4.1Å; V309-L312 HydrophobicContact CG1-CD1 4.24Å; V309-L312 WeakPolarHBondContact O-CB 3.41Å; V309-L312 WeakPolarHBondContact O-CG 3.29Å; V309-L312 PolarHBondContact O-N 3.45Å; V309-L312 VanDerWaalsContact O-N 3.09Å; L312-Y314 HydrophobicContact CB-CE2 3.8Å; L312-Y314 WeakPolarHBondContact O-CD2 3.38Å; L312-Y314 WeakPolarHBondContact O-CE2 3.42Å; L312-D370 HydrophobicContact CD2-CB 4.32Å; L312-F396 HydrophobicContact CD2-CE1 4.37Å; L312-F396 HydrophobicContact CD2-CZ 3.84Å
313K92.4Very high92Very high25 Ų2539.5 Ų39.511%0.10920%0.199CC..  trans-98.8127-169.6-171.1176.4-1671710112.8E230 T268 W315 M369 D370E230-K313 IonicContact OE1-NZ 2.78Å; E230-K313 PolarHBondContact OE1-NZ 3.29Å; E230-K313 IonicContact OE2-NZ 3.47Å; E230-K313 PolarHBondContact OE2-NZ 3.03Å; T268-K313 VanDerWaalsContact OG1-CB 3.31Å; T268-K313 WeakPolarHBondContact OG1-CB 3.39Å; T268-K313 WeakPolarHBondContact OG1-CD 3Å; K313-W315 VanDerWaalsContact CE-CZ2 3.48Å; K313-M369 HydrophobicContact CB-CB 4.29Å; K313-M369 HydrophobicContact CD-CG 4.33Å; K313-M369 HydrophobicContact CG-CB 4.47Å; K313-M369 HydrophobicContact CG-CG 4.2Å; K313-M369 PolarHBondContact O-N 3.04Å; K313-D370 PolarHBondContact N-OD2 2.74Å; K313-D370 VanDerWaalsContact N-OD2 3.09Å
314Y94.1Very high92Very high65 Ų6539.4 Ų39.426%0.25520%0.199SC..EExtended strand (participates in β ladder)trans-127.5136.9178.6-55.6-76.2000111.1L312 I362 V366 V367L312-Y314 HydrophobicContact CB-CE2 3.8Å; L312-Y314 WeakPolarHBondContact O-CD2 3.38Å; L312-Y314 WeakPolarHBondContact O-CE2 3.42Å; Y314-I362 HydrophobicContact CD1-CD1 3.77Å; Y314-I362 HydrophobicContact CD2-CD1 3.77Å; Y314-I362 HydrophobicContact CE1-CD1 3.48Å; Y314-I362 VanDerWaalsContact CE1-CD1 3.48Å; Y314-I362 HydrophobicContact CE2-CD1 3.48Å; Y314-I362 VanDerWaalsContact CE2-CD1 3.48Å; Y314-I362 HydrophobicContact CG-CD1 3.9Å; Y314-V366 HydrophobicContact CD1-CB 4.5Å; Y314-V366 HydrophobicContact CD1-CG2 3.75Å; Y314-V366 HydrophobicContact CG-CG2 4.11Å; Y314-V367 WeakPolarHBondContact CA-O 3.45Å
315W95.9Very high92.1Very high6 Ų639.9 Ų39.92%0.02320%0.202CC..EExtended strand (participates in β ladder)trans-106.7131.7167.2-72121.3000110.2K223 Q226 L227 K313 L317 M319 V366 V367 M369K223-W315 HydrophobicContact CB-CZ3 4.23Å; K223-W315 WeakPolarHBondContact O-CH2 3.49Å; K223-W315 WeakPolarHBondContact O-CZ3 3.4Å; Q226-W315 HydrophobicContact CB-CH2 4.03Å; Q226-W315 HydrophobicContact CG-CH2 3.93Å; Q226-W315 HydrophobicContact CG-CZ2 4.37Å; L227-W315 HydrophobicContact CB-CE3 4.34Å; L227-W315 HydrophobicContact CB-CH2 3.88Å; L227-W315 HydrophobicContact CB-CZ2 4.02Å; L227-W315 HydrophobicContact CB-CZ3 4.04Å; L227-W315 HydrophobicContact CD1-CD2 4.13Å; L227-W315 HydrophobicContact CD1-CG 4.36Å; L227-W315 HydrophobicContact CD1-CZ2 4.27Å; K313-W315 VanDerWaalsContact CE-CZ2 3.48Å; W315-L317 PolarHBondContact O-N 2.8Å; W315-M319 HydrophobicContact CE3-SD 4.19Å; W315-M319 HydrophobicContact CZ3-SD 4.33Å; W315-V366 CarbonylContact O-C 3.58Å; W315-V366 VanDerWaalsContact O-CA 3.28Å; W315-V366 WeakPolarHBondContact O-CA 3.36Å; W315-V367 PolarHBondContact N-O 3.11Å; W315-V367 VanDerWaalsContact N-O 3.1Å; W315-V367 PolarHBondContact O-N 2.86Å; W315-M369 VanDerWaalsContact CD1-SD 3.54Å
316P95.9Very high92.4Very high15 Ų1537.5 Ų37.510%0.09719%0.19CC..EExtended strand (participates in β ladder)trans-55.4129.2170-2434.3000110.3D318 M319 L320P316-D318 VanDerWaalsContact C-N 3.28Å; P316-D318 PolarHBondContact O-N 3.41Å; P316-M319 HydrophobicContact CB-CB 4.2Å; P316-M319 PolarHBondContact O-N 3.02Å; P316-L320 PolarHBondContact O-N 3.49Å; P316-L320 VanDerWaalsContact O-N 3.08Å
317L97.3Very high93Very high34 Ų3436.8 Ų36.818%0.17819%0.186CC..Hα-helixtrans-59.8-40.4-173.8177.157.3000111.9W315 L320 Q321 V328 F359 P365 V367W315-L317 PolarHBondContact O-N 2.8Å; L317-L320 PolarHBondContact O-N 2.84Å; L317-Q321 VanDerWaalsContact O-CB 3.25Å; L317-Q321 WeakPolarHBondContact O-CB 3.35Å; L317-Q321 PolarHBondContact O-N 3.14Å; L317-V328 HydrophobicContact CD1-CG1 3.72Å; L317-F359 HydrophobicContact CD1-CD1 4.14Å; L317-F359 HydrophobicContact CD1-CE1 3.68Å; L317-F359 HydrophobicContact CD2-CD1 4.26Å; L317-F359 HydrophobicContact CD2-CE1 4.44Å; L317-P365 HydrophobicContact CB-CB 4.14Å; L317-P365 WeakPolarHBondContact CB-O 3.24Å; L317-P365 HydrophobicContact CD2-CB 4.17Å; L317-P365 PolarHBondContact N-O 3.26Å; L317-V367 HydrophobicContact CD1-CG2 3.93Å
318D96Very high93.7Very high121 Ų12136.3 Ų36.365%0.64718%0.183SC*.Hα-helixtrans-62-43.6178.6-177.647000112P316 L320 Q321 R322P316-D318 VanDerWaalsContact C-N 3.28Å; P316-D318 PolarHBondContact O-N 3.41Å; D318-L320 PolarHBondContact O-N 3.36Å; D318-Q321 PolarHBondContact O-N 2.93Å; D318-R322 WeakPolarHBondContact O-CB 3.08Å; D318-R322 PolarHBondContact O-N 2.86Å
319M96Very high94.4Very high1 Ų137.2 Ų37.21%0.00519%0.187CC..Hα-helixtrans-60.6-47.8175.2-179.2-176.6-7000111.2F220 K223 E224 L227 W315 P316 Q321 R322 V323F220-M319 HydrophobicContact CD2-CE 3.52Å; F220-M319 HydrophobicContact CE1-CE 4.47Å; F220-M319 HydrophobicContact CE2-CE 3.36Å; F220-M319 HydrophobicContact CG-CE 4.18Å; F220-M319 HydrophobicContact CZ-CE 3.9Å; K223-M319 HydrophobicContact CB-CE 3.8Å; K223-M319 HydrophobicContact CB-SD 4.21Å; E224-M319 HydrophobicContact CB-CE 4.32Å; E224-M319 HydrophobicContact CB-SD 4.27Å; L227-M319 HydrophobicContact CD2-CG 3.98Å; L227-M319 HydrophobicContact CD2-SD 4.26Å; W315-M319 HydrophobicContact CE3-SD 4.19Å; W315-M319 HydrophobicContact CZ3-SD 4.33Å; P316-M319 HydrophobicContact CB-CB 4.2Å; P316-M319 PolarHBondContact O-N 3.02Å; M319-Q321 VanDerWaalsContact C-N 3.33Å; M319-Q321 PolarHBondContact O-N 3.48Å; M319-R322 PolarHBondContact O-N 3.1Å; M319-V323 HydrophobicContact CG-CG2 4.49Å; M319-V323 WeakPolarHBondContact O-CG2 3.31Å; M319-V323 PolarHBondContact O-N 3.33Å
320L97Very high95.2Very high0 Ų033.1 Ų33.10%016%0.162CC..Hα-helixtrans-64.6-39.4179.5-165.566.7000111.4L227 L272 P316 L317 D318 R322 V323 L324 V328 I331 V367L227-L320 HydrophobicContact CD1-CD1 3.75Å; L227-L320 HydrophobicContact CD2-CD1 4.01Å; L272-L320 HydrophobicContact CD2-CD1 4.23Å; P316-L320 PolarHBondContact O-N 3.49Å; P316-L320 VanDerWaalsContact O-N 3.08Å; L317-L320 PolarHBondContact O-N 2.84Å; D318-L320 PolarHBondContact O-N 3.36Å; L320-R322 VanDerWaalsContact C-N 3.34Å; L320-R322 PolarHBondContact O-N 3.06Å; L320-V323 PolarHBondContact O-N 3.42Å; L320-L324 HydrophobicContact CD1-CB 4.38Å; L320-L324 HydrophobicContact CD1-CD1 3.99Å; L320-L324 CarbonylContact O-C 3.59Å; L320-L324 VanDerWaalsContact O-C 3.3Å; L320-L324 WeakPolarHBondContact O-CA 3.35Å; L320-L324 PolarHBondContact O-N 2.82Å; L320-V328 HydrophobicContact CB-CG2 3.98Å; L320-V328 HydrophobicContact CD2-CG2 3.88Å; L320-V328 HydrophobicContact CG-CG2 3.64Å; L320-I331 HydrophobicContact CD2-CD1 3.95Å; L320-V367 HydrophobicContact CD2-CB 4.17Å; L320-V367 HydrophobicContact CD2-CG1 4.21Å; L320-V367 HydrophobicContact CD2-CG2 3.87Å
321Q97.3Very high96Very high56 Ų5626.7 Ų26.726%0.26213%0.132SC..Hα-helixtrans-65.9-35.9177.9-175.568.275.700111.9L317 D318 M319 P325 V328L317-Q321 VanDerWaalsContact O-CB 3.25Å; L317-Q321 WeakPolarHBondContact O-CB 3.35Å; L317-Q321 PolarHBondContact O-N 3.14Å; D318-Q321 PolarHBondContact O-N 2.93Å; M319-Q321 VanDerWaalsContact C-N 3.33Å; M319-Q321 PolarHBondContact O-N 3.48Å; Q321-P325 PolarHBondContact NE2-O 3.1Å; Q321-P325 VanDerWaalsContact O-CA 3.27Å; Q321-P325 WeakPolarHBondContact O-CA 3.19Å; Q321-P325 VanDerWaalsContact O-CB 3.29Å; Q321-P325 WeakPolarHBondContact O-CB 3.34Å; Q321-V328 HydrophobicContact CB-CG2 4.27Å
322R96.8Very high96.7Very high93 Ų9327.8 Ų27.835%0.35113%0.126SC..Hα-helixtrans-71.1-47.2175.4-179.4172.557.299.58.5112.2Y136 E224 D318 M319 L320Y136-R322 HydrophobicContact CD1-CG 4.28Å; Y136-R322 HydrophobicContact CE1-CG 4.47Å; E224-R322 IonicContact OE1-CZ 2.65Å; E224-R322 IonicContact OE1-NH1 3.35Å; E224-R322 PolarHBondContact OE1-NH1 3.47Å; E224-R322 IonicContact OE1-NH2 3.77Å; E224-R322 IonicContact OE2-CZ 3.83Å; E224-R322 VanDerWaalsContact OE2-CZ 3.27Å; E224-R322 IonicContact OE2-NH1 3.41Å; E224-R322 PolarHBondContact OE2-NH1 2.98Å; E224-R322 IonicContact OE2-NH2 2.97Å; E224-R322 PolarHBondContact OE2-NH2 3.38Å; D318-R322 WeakPolarHBondContact O-CB 3.08Å; D318-R322 PolarHBondContact O-N 2.86Å; M319-R322 PolarHBondContact O-N 3.1Å; L320-R322 VanDerWaalsContact C-N 3.34Å; L320-R322 PolarHBondContact O-N 3.06Å
323V97.3Very high97.1Very high0 Ų030.3 Ų30.30%014%0.139CC..Hα-helixtrans-80.6-37.5-174.1-177.20000112F135 Y136 E224 L227 K228 M319 L320F135-V323 HydrophobicContact CD1-CG1 3.9Å; Y136-V323 WeakPolarHBondContact CA-O 3.49Å; Y136-V323 HydrophobicContact CD1-CG2 4.39Å; Y136-V323 HydrophobicContact CE1-CG2 3.93Å; Y136-V323 PolarHBondContact N-O 2.87Å; E224-V323 HydrophobicContact CG-CG2 3.99Å; L227-V323 HydrophobicContact CD2-CB 3.99Å; L227-V323 HydrophobicContact CD2-CG1 4.28Å; L227-V323 HydrophobicContact CD2-CG2 4.1Å; K228-V323 HydrophobicContact CG-CG1 4.32Å; M319-V323 HydrophobicContact CG-CG2 4.49Å; M319-V323 WeakPolarHBondContact O-CG2 3.31Å; M319-V323 PolarHBondContact O-N 3.33Å; L320-V323 PolarHBondContact O-N 3.42Å
324L98.4Very high97.3Very high0 Ų029.2 Ų29.20%014%0.135CC..  trans-136.661.5-171.7-61.2178.7000111.5W149 L227 Y231 L272 L320 R326 H327 V328W149-L324 HydrophobicContact CH2-CD2 3.83Å; W149-L324 HydrophobicContact CZ2-CD2 4.29Å; L227-L324 HydrophobicContact CD1-CD1 4.41Å; Y231-L324 HydrophobicContact CD1-CD2 3.56Å; Y231-L324 HydrophobicContact CD2-CD1 3.65Å; Y231-L324 HydrophobicContact CD2-CD2 3.88Å; Y231-L324 HydrophobicContact CD2-CG 4.45Å; Y231-L324 HydrophobicContact CE1-CD2 3.65Å; Y231-L324 HydrophobicContact CE2-CD1 4.29Å; Y231-L324 HydrophobicContact CE2-CD2 3.98Å; Y231-L324 HydrophobicContact CG-CD1 3.77Å; Y231-L324 HydrophobicContact CG-CD2 3.65Å; Y231-L324 HydrophobicContact CG-CG 4.36Å; L272-L324 HydrophobicContact CD1-CD1 3.83Å; L272-L324 HydrophobicContact CD2-CD1 4.27Å; L320-L324 HydrophobicContact CD1-CB 4.38Å; L320-L324 HydrophobicContact CD1-CD1 3.99Å; L320-L324 CarbonylContact O-C 3.59Å; L320-L324 VanDerWaalsContact O-C 3.3Å; L320-L324 WeakPolarHBondContact O-CA 3.35Å; L320-L324 PolarHBondContact O-N 2.82Å; L324-R326 VanDerWaalsContact C-N 3.28Å; L324-R326 PolarHBondContact O-N 3Å; L324-H327 HydrophobicContact CB-CB 3.95Å; L324-H327 PolarHBondContact O-N 3.42Å; L324-H327 VanDerWaalsContact O-N 3.11Å; L324-V328 PolarHBondContact O-N 3.44Å
325P98.3Very high97.5Very high10 Ų1026.7 Ų26.77%0.06513%0.126CC..Hα-helixtrans-58.9-37.3-170.921.5-33.3000113.6Y136 V139 Q321 V328 E329Y136-P325 WeakPolarHBondContact O-CD 3.49Å; V139-P325 HydrophobicContact CG2-CB 4.36Å; Q321-P325 PolarHBondContact NE2-O 3.1Å; Q321-P325 VanDerWaalsContact O-CA 3.27Å; Q321-P325 WeakPolarHBondContact O-CA 3.19Å; Q321-P325 VanDerWaalsContact O-CB 3.29Å; Q321-P325 WeakPolarHBondContact O-CB 3.34Å; P325-V328 PolarHBondContact O-N 3.27Å; P325-E329 PolarHBondContact O-N 2.76Å
326R98.3Very high97.5Very high9 Ų930.1 Ų30.13%0.03415%0.15CC..Hα-helixtrans-69.6-39.3179.2-176.354.9-176.11405.3112.3V139 W149 R279 D283 L324 V328 E329 I330V139-R326 HydrophobicContact CG2-CB 3.73Å; V139-R326 HydrophobicContact CG2-CG 4.37Å; W149-R326 HydrophobicContact CB-CB 4.38Å; W149-R326 HydrophobicContact CG-CB 4.26Å; R279-R326 HydrophobicContact CG-CG 3.87Å; D283-R326 IonicContact OD1-CZ 3.39Å; D283-R326 IonicContact OD1-NE 2.65Å; D283-R326 PolarHBondContact OD1-NE 3.38Å; D283-R326 IonicContact OD1-NH2 2.84Å; D283-R326 PolarHBondContact OD1-NH2 2.92Å; D283-R326 WeakPolarHBondContact OD2-CG 3.46Å; D283-R326 IonicContact OD2-CZ 2.78Å; D283-R326 IonicContact OD2-NE 3.22Å; D283-R326 PolarHBondContact OD2-NE 2.91Å; D283-R326 IonicContact OD2-NH2 3.9Å; L324-R326 VanDerWaalsContact C-N 3.28Å; L324-R326 PolarHBondContact O-N 3Å; R326-V328 VanDerWaalsContact C-N 3.28Å; R326-V328 PolarHBondContact O-N 3.03Å; R326-E329 IonicContact CZ-OE2 3.84Å; R326-E329 IonicContact NH1-OE2 2.73Å; R326-E329 PolarHBondContact NH1-OE2 3.26Å; R326-E329 WeakPolarHBondContact O-CB 3.36Å; R326-E329 PolarHBondContact O-N 3.31Å; R326-I330 HydrophobicContact CG-CD1 4.14Å; R326-I330 WeakPolarHBondContact O-CG1 3.27Å; R326-I330 PolarHBondContact O-N 2.91Å
327H98.6Very high97.5Very high0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-64.7-35.7178.5-56.372.4000111.1W149 Y231 P275 E276 L324 I330 I331W149-H327 AromaticContact CH2-CE1 3.98Å; W149-H327 AromaticContact CZ3-CE1 3.73Å; Y231-H327 AromaticContact CE2-CD2 3.82Å; Y231-H327 AromaticContact CE2-CE1 3.58Å; Y231-H327 AromaticContact CE2-NE2 3.18Å; Y231-H327 WeakPolarHBondContact CE2-NE2 3.4Å; Y231-H327 AromaticContact CZ-CE1 3.54Å; Y231-H327 AromaticContact CZ-NE2 3.52Å; Y231-H327 PolarHBondContact OH-CE1 3.29Å; Y231-H327 PolarHBondContact OH-NE2 3.32Å; P275-H327 HydrophobicContact CB-CB 4.24Å; E276-H327 IonicContact OE2-CD2 2.58Å; E276-H327 IonicContact OE2-CE1 3.03Å; E276-H327 IonicContact OE2-NE2 2.94Å; E276-H327 PolarHBondContact OE2-NE2 3.21Å; L324-H327 HydrophobicContact CB-CB 3.95Å; L324-H327 PolarHBondContact O-N 3.42Å; L324-H327 VanDerWaalsContact O-N 3.11Å; H327-I330 PolarHBondContact O-N 3.39Å; H327-I331 WeakPolarHBondContact O-CB 3Å; H327-I331 WeakPolarHBondContact O-CD1 3.3Å; H327-I331 WeakPolarHBondContact O-CG1 3.42Å; H327-I331 PolarHBondContact O-N 3.18Å
328V98.5Very high97.4Very high0 Ų032 Ų320%016%0.156CC..Hα-helixtrans-63.4-43173.4-177.80000111.9L317 L320 Q321 L324 P325 R326 I330 I331 R332L317-V328 HydrophobicContact CD1-CG1 3.72Å; L320-V328 HydrophobicContact CB-CG2 3.98Å; L320-V328 HydrophobicContact CD2-CG2 3.88Å; L320-V328 HydrophobicContact CG-CG2 3.64Å; Q321-V328 HydrophobicContact CB-CG2 4.27Å; L324-V328 PolarHBondContact O-N 3.44Å; P325-V328 PolarHBondContact O-N 3.27Å; R326-V328 VanDerWaalsContact C-N 3.28Å; R326-V328 PolarHBondContact O-N 3.03Å; V328-I330 VanDerWaalsContact C-N 3.31Å; V328-I330 PolarHBondContact O-N 2.81Å; V328-I331 PolarHBondContact O-N 3.48Å; V328-R332 VanDerWaalsContact CG1-CZ 3.49Å; V328-R332 WeakPolarHBondContact O-CG 3.44Å; V328-R332 PolarHBondContact O-N 2.97Å
329E97.9Very high97.5Very high37 Ų3731 Ų3117%0.17315%0.146CC..Hα-helixtrans-59.7-41.8173.9-68.6-169.4141.100112.1R141 P325 R326 R332 N333R141-E329 IonicContact CZ-OE1 3.66Å; R141-E329 IonicContact NE-OE1 2.95Å; R141-E329 IonicContact NH2-OE1 3.43Å; R141-E329 PolarHBondContact NH2-OE1 3.09Å; R141-E329 IonicContact NH2-OE2 2.72Å; P325-E329 PolarHBondContact O-N 2.76Å; R326-E329 IonicContact CZ-OE2 3.84Å; R326-E329 IonicContact NH1-OE2 2.73Å; R326-E329 PolarHBondContact NH1-OE2 3.26Å; R326-E329 WeakPolarHBondContact O-CB 3.36Å; R326-E329 PolarHBondContact O-N 3.31Å; E329-R332 PolarHBondContact O-N 3.09Å; E329-N333 PolarHBondContact O-N 3.04Å
330I98.4Very high97.4Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-63.9-45.2176.8-69.5168.9000110.8P275 M278 R279 W289 R326 H327 V328 R332 N333 I334P275-I330 HydrophobicContact CB-CB 4.37Å; P275-I330 HydrophobicContact CB-CG2 3.83Å; M278-I330 HydrophobicContact CB-CG2 3.66Å; M278-I330 HydrophobicContact CG-CG2 4.28Å; R279-I330 HydrophobicContact CB-CD1 3.46Å; R279-I330 VanDerWaalsContact CB-CD1 3.46Å; R279-I330 HydrophobicContact CG-CD1 3.91Å; W289-I330 HydrophobicContact CH2-CB 4.36Å; W289-I330 HydrophobicContact CH2-CG2 3.9Å; W289-I330 HydrophobicContact CZ3-CG1 4.33Å; W289-I330 HydrophobicContact CZ3-CG2 4.34Å; R326-I330 HydrophobicContact CG-CD1 4.14Å; R326-I330 WeakPolarHBondContact O-CG1 3.27Å; R326-I330 PolarHBondContact O-N 2.91Å; H327-I330 PolarHBondContact O-N 3.39Å; V328-I330 VanDerWaalsContact C-N 3.31Å; V328-I330 PolarHBondContact O-N 2.81Å; I330-R332 VanDerWaalsContact C-N 3.32Å; I330-R332 PolarHBondContact O-N 3.13Å; I330-N333 PolarHBondContact O-N 2.58Å; I330-N333 VanDerWaalsContact O-N 3.16Å; I330-I334 HydrophobicContact CG2-CD1 3.98Å; I330-I334 WeakPolarHBondContact O-CG1 3.37Å; I330-I334 PolarHBondContact O-N 3.11Å
331I98.6Very high97.3Very high0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-61.8-41177.2-67163.2000110.7P275 L320 H327 V328 N333 I334 D335 I358 F359 V367 L372P275-I331 HydrophobicContact CB-CD1 4.46Å; P275-I331 HydrophobicContact CB-CG1 3.98Å; P275-I331 HydrophobicContact CG-CD1 4.22Å; P275-I331 HydrophobicContact CG-CG1 4.14Å; L320-I331 HydrophobicContact CD2-CD1 3.95Å; H327-I331 WeakPolarHBondContact O-CB 3Å; H327-I331 WeakPolarHBondContact O-CD1 3.3Å; H327-I331 WeakPolarHBondContact O-CG1 3.42Å; H327-I331 PolarHBondContact O-N 3.18Å; V328-I331 PolarHBondContact O-N 3.48Å; I331-N333 VanDerWaalsContact C-N 3.33Å; I331-N333 PolarHBondContact O-N 2.73Å; I331-I334 PolarHBondContact O-N 2.87Å; I331-D335 WeakPolarHBondContact O-CB 3.38Å; I331-D335 PolarHBondContact O-N 3.45Å; I331-I358 HydrophobicContact CG2-CB 4.31Å; I331-I358 HydrophobicContact CG2-CD1 4.31Å; I331-I358 HydrophobicContact CG2-CG2 3.59Å; I331-F359 HydrophobicContact CB-CZ 4.25Å; I331-F359 HydrophobicContact CG2-CE2 3.83Å; I331-F359 HydrophobicContact CG2-CZ 3.64Å; I331-V367 HydrophobicContact CD1-CG1 4.37Å; I331-V367 HydrophobicContact CG2-CG1 4.34Å; I331-L372 HydrophobicContact CD1-CD2 4.38Å; I331-L372 HydrophobicContact CG1-CD1 4.44Å; I331-L372 HydrophobicContact CG1-CD2 4.46Å
332R98.1Very high97.2Very high93 Ų9334.1 Ų34.135%0.35117%0.172SC..Hα-helixtrans-58.2-44.5173.2-73.8-178.4-1761214.7111.7V328 E329 I330 D335 C336 F359V328-R332 VanDerWaalsContact CG1-CZ 3.49Å; V328-R332 WeakPolarHBondContact O-CG 3.44Å; V328-R332 PolarHBondContact O-N 2.97Å; E329-R332 PolarHBondContact O-N 3.09Å; I330-R332 VanDerWaalsContact C-N 3.32Å; I330-R332 PolarHBondContact O-N 3.13Å; R332-D335 PolarHBondContact O-N 3.16Å; R332-C336 WeakPolarHBondContact O-CB 3.35Å; R332-C336 PolarHBondContact O-N 3.03Å; R332-C336 PolarHBondContact O-SG 3.19Å; R332-C336 VanDerWaalsContact O-SG 3.32Å; R332-F359 HydrophobicContact CB-CE2 4.37Å; R332-F359 HydrophobicContact CB-CZ 4.28Å; R332-F359 HydrophobicContact CG-CE1 4.22Å; R332-F359 HydrophobicContact CG-CE2 3.83Å; R332-F359 HydrophobicContact CG-CZ 3.41Å; R332-F359 VanDerWaalsContact CG-CZ 3.41Å
333N97Very high97.1Very high71 Ų7133.3 Ų33.338%0.3818%0.175SC..Hα-helixtrans-66.4-39.3178.1-72.8-3.9000112.4W289 E329 I330 I331 C336 H337W289-N333 HydrophobicContact CH2-CB 3.31Å; W289-N333 HydrophobicContact CZ2-CB 3.36Å; W289-N333 HydrophobicContact CZ3-CB 3.99Å; E329-N333 PolarHBondContact O-N 3.04Å; I330-N333 PolarHBondContact O-N 2.58Å; I330-N333 VanDerWaalsContact O-N 3.16Å; I331-N333 VanDerWaalsContact C-N 3.33Å; I331-N333 PolarHBondContact O-N 2.73Å; N333-C336 PolarHBondContact O-N 2.82Å; N333-H337 PolarHBondContact O-N 3.31Å
334I98.1Very high96.9Very high2 Ų244 Ų441%0.0122%0.215CC..Hα-helixtrans-59.4-48.1173.5-67.8167.3000110I274 W289 W293 I330 I331 H337 F338 I358 L372 I375I274-I334 HydrophobicContact CG2-CD1 4.23Å; W289-I334 HydrophobicContact CH2-CG1 4.27Å; W289-I334 HydrophobicContact CZ2-CG1 3.98Å; W293-I334 HydrophobicContact CE3-CD1 4.35Å; W293-I334 HydrophobicContact CE3-CG1 4.09Å; W293-I334 HydrophobicContact CH2-CB 4.49Å; W293-I334 HydrophobicContact CH2-CD1 4.23Å; W293-I334 HydrophobicContact CH2-CG1 4.12Å; W293-I334 HydrophobicContact CH2-CG2 3.58Å; W293-I334 HydrophobicContact CZ2-CG2 4.14Å; W293-I334 HydrophobicContact CZ3-CB 4.49Å; W293-I334 HydrophobicContact CZ3-CD1 3.61Å; W293-I334 HydrophobicContact CZ3-CG1 3.65Å; W293-I334 HydrophobicContact CZ3-CG2 4.03Å; I330-I334 HydrophobicContact CG2-CD1 3.98Å; I330-I334 WeakPolarHBondContact O-CG1 3.37Å; I330-I334 PolarHBondContact O-N 3.11Å; I331-I334 PolarHBondContact O-N 2.87Å; I334-H337 PolarHBondContact O-N 2.99Å; I334-F338 WeakPolarHBondContact O-CB 3.27Å; I334-F338 PolarHBondContact O-N 2.93Å; I334-I358 HydrophobicContact CB-CD1 4.42Å; I334-I358 HydrophobicContact CG2-CD1 3.79Å; I334-L372 HydrophobicContact CD1-CD1 4.36Å; I334-I375 HydrophobicContact CG2-CG2 3.9Å
335D97.8Very high96.8Very high12 Ų1250.6 Ų50.66%0.06424%0.24CC..Hα-helixtrans-66.2-39.8-178.7-163.355.9000112.3I331 R332 F338 K339 F353 S357 I358 F359I331-D335 WeakPolarHBondContact O-CB 3.38Å; I331-D335 PolarHBondContact O-N 3.45Å; R332-D335 PolarHBondContact O-N 3.16Å; D335-F338 WeakPolarHBondContact O-CB 3.42Å; D335-F338 PolarHBondContact O-N 3.32Å; D335-K339 PolarHBondContact O-N 3.47Å; D335-F353 WeakPolarHBondContact OD2-CZ 3.35Å; D335-S357 WeakPolarHBondContact OD1-CA 3.39Å; D335-S357 PolarHBondContact OD2-OG 2.88Å; D335-I358 HydrophobicContact CB-CB 4.38Å; D335-I358 HydrophobicContact CB-CD1 4.2Å; D335-I358 HydrophobicContact CB-CG1 4.48Å; D335-I358 PolarHBondContact OD1-N 2.85Å; D335-F359 HydrophobicContact CB-CD2 4.06Å; D335-F359 HydrophobicContact CB-CE2 3.92Å; D335-F359 WeakPolarHBondContact OD2-CD2 3.21Å
336C96.6Very high96.6Very high79 Ų7952.1 Ų52.153%0.53425%0.245SC..Hα-helixtrans-61.5-43.4172.5-77.70000112.6R332 N333 F338 K339 S340R332-C336 WeakPolarHBondContact O-CB 3.35Å; R332-C336 PolarHBondContact O-N 3.03Å; R332-C336 PolarHBondContact O-SG 3.19Å; R332-C336 VanDerWaalsContact O-SG 3.32Å; N333-C336 PolarHBondContact O-N 2.82Å; C336-F338 VanDerWaalsContact C-N 3.32Å; C336-K339 WeakPolarHBondContact O-CB 3.28Å; C336-K339 PolarHBondContact O-N 2.91Å; C336-S340 PolarHBondContact O-N 2.91Å; C336-S340 PolarHBondContact O-OG 2.79Å
337H95Very high96.3Very high85 Ų8556.7 Ų56.739%0.39428%0.275SS..Hα-helixtrans-63.4-42.6174.4-176.376000110.7N333 I334 K339 S340 V341N333-H337 PolarHBondContact O-N 3.31Å; I334-H337 PolarHBondContact O-N 2.99Å; H337-K339 VanDerWaalsContact C-N 3.35Å; H337-K339 PolarHBondContact O-N 3.37Å; H337-S340 WeakPolarHBondContact O-CB 3.5Å; H337-S340 PolarHBondContact O-N 3.46Å; H337-S340 VanDerWaalsContact O-N 3.11Å; H337-V341 PolarHBondContact O-N 3.42Å
338F96.3Very high96.1Very high4 Ų462 Ų622%0.01831%0.313CS..Hα-helixtrans-62.8-38.2178-176.3-123.7000113.1I334 D335 C336 S340 V341 I342 F353 M356 I375 F399 L402 W403I334-F338 WeakPolarHBondContact O-CB 3.27Å; I334-F338 PolarHBondContact O-N 2.93Å; D335-F338 WeakPolarHBondContact O-CB 3.42Å; D335-F338 PolarHBondContact O-N 3.32Å; C336-F338 VanDerWaalsContact C-N 3.32Å; F338-S340 PolarHBondContact O-N 3.41Å; F338-V341 HydrophobicContact CD2-CB 4.42Å; F338-V341 WeakPolarHBondContact O-CA 3.44Å; F338-V341 WeakPolarHBondContact O-CB 3.32Å; F338-V341 PolarHBondContact O-N 3Å; F338-I342 HydrophobicContact CD1-CG1 4.34Å; F338-I342 HydrophobicContact CE1-CD1 4.16Å; F338-I342 HydrophobicContact CE1-CG1 4.04Å; F338-I342 HydrophobicContact CE2-CD1 3.89Å; F338-I342 HydrophobicContact CE2-CG1 4.21Å; F338-I342 HydrophobicContact CZ-CD1 3.66Å; F338-I342 HydrophobicContact CZ-CG1 4Å; F338-I342 PolarHBondContact O-N 2.82Å; F338-F353 HydrophobicContact CD1-CE2 4.38Å; F338-M356 HydrophobicContact CE1-CB 3.83Å; F338-M356 HydrophobicContact CZ-CB 4.29Å; F338-M356 HydrophobicContact CZ-CE 3.93Å; F338-I375 HydrophobicContact CD1-CD1 3.46Å; F338-I375 VanDerWaalsContact CD1-CD1 3.46Å; F338-I375 HydrophobicContact CD1-CG1 4.13Å; F338-I375 HydrophobicContact CD2-CD1 4.34Å; F338-I375 HydrophobicContact CD2-CG1 4.17Å; F338-I375 HydrophobicContact CD2-CG2 4.33Å; F338-I375 HydrophobicContact CE1-CD1 3.53Å; F338-I375 HydrophobicContact CE1-CG1 3.96Å; F338-I375 HydrophobicContact CE2-CD1 4.42Å; F338-I375 HydrophobicContact CE2-CG1 4.04Å; F338-I375 HydrophobicContact CG-CD1 3.87Å; F338-I375 HydrophobicContact CG-CG1 4.2Å; F338-I375 HydrophobicContact CG-CG2 4.4Å; F338-I375 HydrophobicContact CZ-CD1 4Å; F338-I375 HydrophobicContact CZ-CG1 3.88Å; F338-F399 AromaticContact CE1-CE1 3.98Å; F338-F399 HydrophobicContact CE1-CE1 3.98Å; F338-F399 HydrophobicContact CZ-CD1 4.15Å; F338-F399 AromaticContact CZ-CE1 3.7Å; F338-F399 HydrophobicContact CZ-CE1 3.7Å; F338-L402 HydrophobicContact CE2-CD2 3.65Å; F338-L402 HydrophobicContact CZ-CD2 4.08Å; F338-W403 AromaticContact CD2-CH2 3.95Å; F338-W403 HydrophobicContact CD2-CH2 3.95Å; F338-W403 AromaticContact CE2-CH2 3.37Å; F338-W403 HydrophobicContact CE2-CH2 3.37Å; F338-W403 HydrophobicContact CE2-CZ2 4.11Å; F338-W403 AromaticContact CE2-CZ3 3.93Å; F338-W403 HydrophobicContact CE2-CZ3 3.93Å; F338-W403 HydrophobicContact CZ-CH2 4.3Å; F338-W403 HydrophobicContact CZ-CZ3 4.45Å
339K96.3Very high95.8Very high98 Ų9864.1 Ų64.143%0.42632%0.324SS..Hα-helixtrans-52.4-41.7171.8-170.6173.3-177.51750112.5D335 C336 H337 V341 I342 N343 F353D335-K339 PolarHBondContact O-N 3.47Å; C336-K339 WeakPolarHBondContact O-CB 3.28Å; C336-K339 PolarHBondContact O-N 2.91Å; H337-K339 VanDerWaalsContact C-N 3.35Å; H337-K339 PolarHBondContact O-N 3.37Å; K339-V341 VanDerWaalsContact C-N 3.33Å; K339-V341 PolarHBondContact O-N 3.16Å; K339-I342 PolarHBondContact O-N 3.06Å; K339-N343 WeakPolarHBondContact O-CB 3.35Å; K339-N343 PolarHBondContact O-N 3.04Å; K339-F353 VanDerWaalsContact CA-CD2 3.47Å; K339-F353 VanDerWaalsContact CA-CE2 3.5Å; K339-F353 HydrophobicContact CB-CD1 4.45Å; K339-F353 HydrophobicContact CB-CD2 3.66Å; K339-F353 HydrophobicContact CB-CE1 4.22Å; K339-F353 HydrophobicContact CB-CE2 3.39Å; K339-F353 HydrophobicContact CB-CG 4.18Å; K339-F353 HydrophobicContact CB-CZ 3.69Å; K339-F353 HydrophobicContact CD-CD1 3.89Å; K339-F353 HydrophobicContact CD-CE1 3.7Å; K339-F353 HydrophobicContact CD-CE2 4.42Å; K339-F353 HydrophobicContact CD-CG 4.32Å; K339-F353 HydrophobicContact CD-CZ 3.98Å; K339-F353 HydrophobicContact CG-CD1 3.86Å; K339-F353 HydrophobicContact CG-CD2 3.78Å; K339-F353 HydrophobicContact CG-CE1 3.96Å; K339-F353 HydrophobicContact CG-CE2 3.88Å; K339-F353 HydrophobicContact CG-CG 3.76Å; K339-F353 HydrophobicContact CG-CZ 3.96Å
340S94.4Very high95.3Very high74 Ų7470.5 Ų70.552%0.51735%0.354SS..Hα-helixtrans-65.9-36.5178.4-56.90000111.9C336 H337 F338 R344C336-S340 PolarHBondContact O-N 2.91Å; C336-S340 PolarHBondContact O-OG 2.79Å; H337-S340 WeakPolarHBondContact O-CB 3.5Å; H337-S340 PolarHBondContact O-N 3.46Å; H337-S340 VanDerWaalsContact O-N 3.11Å; F338-S340 PolarHBondContact O-N 3.41Å; S340-R344 WeakPolarHBondContact O-CB 3.23Å; S340-R344 PolarHBondContact O-N 3.19Å; S340-R344 VanDerWaalsContact O-N 3.11Å
341V94.8Very high95Very high49 Ų4975.1 Ų75.130%0.29738%0.378SS..Hα-helixtrans-64.2-45.9174179.60000111H337 F338 K339 R344 R345 L402H337-V341 PolarHBondContact O-N 3.42Å; F338-V341 HydrophobicContact CD2-CB 4.42Å; F338-V341 WeakPolarHBondContact O-CA 3.44Å; F338-V341 WeakPolarHBondContact O-CB 3.32Å; F338-V341 PolarHBondContact O-N 3Å; K339-V341 VanDerWaalsContact C-N 3.33Å; K339-V341 PolarHBondContact O-N 3.16Å; V341-R344 PolarHBondContact O-N 3.2Å; V341-R345 PolarHBondContact O-N 2.89Å; V341-R345 VanDerWaalsContact O-N 3.12Å; V341-L402 HydrophobicContact CG1-CD1 4.4Å; V341-L402 HydrophobicContact CG1-CD2 4.42Å
342I96.2Very high94.8Very high0 Ų076.5 Ų76.50%038%0.384CS..Hα-helixtrans-62.9-50.6178.7-61.6-55.5000111.3F338 K339 R344 R345 W346 R352 F353 M356 L402F338-I342 HydrophobicContact CD1-CG1 4.34Å; F338-I342 HydrophobicContact CE1-CD1 4.16Å; F338-I342 HydrophobicContact CE1-CG1 4.04Å; F338-I342 HydrophobicContact CE2-CD1 3.89Å; F338-I342 HydrophobicContact CE2-CG1 4.21Å; F338-I342 HydrophobicContact CZ-CD1 3.66Å; F338-I342 HydrophobicContact CZ-CG1 4Å; F338-I342 PolarHBondContact O-N 2.82Å; K339-I342 PolarHBondContact O-N 3.06Å; I342-R344 VanDerWaalsContact C-N 3.25Å; I342-R344 PolarHBondContact O-N 3.15Å; I342-R345 PolarHBondContact O-N 3.35Å; I342-W346 HydrophobicContact CD1-CE3 4.39Å; I342-W346 HydrophobicContact CD1-CZ3 4.02Å; I342-W346 HydrophobicContact CG2-CE3 4.4Å; I342-W346 PolarHBondContact O-N 3.32Å; I342-R352 HydrophobicContact CG2-CB 4.12Å; I342-R352 HydrophobicContact CG2-CG 4.06Å; I342-F353 HydrophobicContact CB-CB 4.44Å; I342-F353 HydrophobicContact CG1-CD2 4.37Å; I342-F353 HydrophobicContact CG2-CB 4.05Å; I342-M356 HydrophobicContact CD1-CE 3.83Å; I342-M356 HydrophobicContact CD1-SD 3.6Å; I342-M356 VanDerWaalsContact CD1-SD 3.6Å; I342-M356 HydrophobicContact CG1-SD 4.46Å; I342-L402 HydrophobicContact CD1-CD2 3.71Å
343N93.7Very high94.7Very high76 Ų7673.5 Ų73.541%0.40637%0.373SS..Hα-helixtrans-61.7-33.4-179.1-73.1-5.3000112.4K339 P347K339-N343 WeakPolarHBondContact O-CB 3.35Å; K339-N343 PolarHBondContact O-N 3.04Å; N343-P347 VanDerWaalsContact O-CA 3.28Å; N343-P347 WeakPolarHBondContact O-CA 3.28Å; N343-P347 WeakPolarHBondContact O-CB 3.48Å
344R94.2Very high94.6Very high226 Ų22676 Ų7685%0.85338%0.383SS*.Hα-helixtrans-70.8-36.6175-173.7177.3179.5179.50.6112.5S340 V341 I342S340-R344 WeakPolarHBondContact O-CB 3.23Å; S340-R344 PolarHBondContact O-N 3.19Å; S340-R344 VanDerWaalsContact O-N 3.11Å; V341-R344 PolarHBondContact O-N 3.2Å; I342-R344 VanDerWaalsContact C-N 3.25Å; I342-R344 PolarHBondContact O-N 3.15Å
345R94.8Very high94.4Very high137 Ų13781 Ų8152%0.51740%0.401SS..Hα-helixtrans-79.3-38.6-177.7-17867.3176.795.6-0.7112.7V341 I342 L402V341-R345 PolarHBondContact O-N 2.89Å; V341-R345 VanDerWaalsContact O-N 3.12Å; I342-R345 PolarHBondContact O-N 3.35Å; R345-L402 HydrophobicContact CB-CD1 4.16Å; R345-L402 HydrophobicContact CG-CD1 3.88Å
346W95.4Very high94.3Very high43 Ų4380.5 Ų80.516%0.16340%0.398CS..  trans-137.670.2-176.3-61.3-72.5000111.4I342 S348 D349 R352 D401 L402I342-W346 HydrophobicContact CD1-CE3 4.39Å; I342-W346 HydrophobicContact CD1-CZ3 4.02Å; I342-W346 HydrophobicContact CG2-CE3 4.4Å; I342-W346 PolarHBondContact O-N 3.32Å; W346-S348 PolarHBondContact O-N 3.23Å; W346-S348 VanDerWaalsContact O-N 3.07Å; W346-D349 HydrophobicContact CB-CB 4.24Å; W346-D349 PolarHBondContact O-N 3.19Å; W346-R352 VanDerWaalsContact CD2-CD 3.44Å; W346-R352 HydrophobicContact CE3-CG 4.3Å; W346-R352 VanDerWaalsContact CZ3-CD 3.49Å; W346-D401 HydrophobicContact CH2-CB 4.19Å; W346-D401 HydrophobicContact CZ2-CB 4Å; W346-L402 HydrophobicContact CH2-CB 3.62Å; W346-L402 HydrophobicContact CH2-CD1 3.94Å; W346-L402 HydrophobicContact CH2-CG 4.34Å; W346-L402 HydrophobicContact CZ3-CB 3.96Å; W346-L402 HydrophobicContact CZ3-CD1 3.73Å; W346-L402 HydrophobicContact CZ3-CG 4.29Å
347P92.4Very high94.4Very high105 Ų10577.1 Ų77.168%0.68238%0.376SS*.THydrogen-bonded Turntrans-62.2-18.8-17824.7-34.5000113.8N343N343-P347 VanDerWaalsContact O-CA 3.28Å; N343-P347 WeakPolarHBondContact O-CA 3.28Å; N343-P347 WeakPolarHBondContact O-CB 3.48Å
348S93.4Very high94.5Very high112 Ų11273.1 Ų73.178%0.78336%0.357SS*.THydrogen-bonded Turntrans-95.8-9-178.761.80000115.2W346W346-S348 PolarHBondContact O-N 3.23Å; W346-S348 VanDerWaalsContact O-N 3.07Å
349D93.5Very high94.6Very high43 Ų4375 Ų7523%0.2337%0.365CS..  trans-104.876.1178.7-172.5-8.5000109.3W346 N351 R352 R355W346-D349 HydrophobicContact CB-CB 4.24Å; W346-D349 PolarHBondContact O-N 3.19Å; D349-N351 PolarHBondContact O-N 2.94Å; D349-N351 VanDerWaalsContact O-N 3.11Å; D349-R352 HydrophobicContact CB-CB 4.06Å; D349-R352 WeakPolarHBondContact O-CB 3.07Å; D349-R352 PolarHBondContact O-N 3.08Å; D349-R352 PolarHBondContact OD1-N 3.14Å; D349-R352 IonicContact OD2-CZ 3.68Å; D349-R352 VanDerWaalsContact OD2-CZ 3.27Å; D349-R352 IonicContact OD2-NE 3.9Å; D349-R352 PolarHBondContact OD2-NE 2.87Å; D349-R352 IonicContact OD2-NH2 2.67Å; D349-R352 PolarHBondContact OD2-NH2 3.14Å; D349-R355 IonicContact OD1-NH1 2.75Å; D349-R355 PolarHBondContact OD1-NH1 3.01Å; D349-R355 IonicContact OD1-NH2 3.78Å; D349-R355 IonicContact OD2-NH2 2.99Å; D349-R355 PolarHBondContact OD2-NH2 2.73Å; D349-R355 VanDerWaalsContact OD2-NH2 3.12Å
350E85.9Confident94.6Very high172 Ų17272.4 Ų72.480%0.80436%0.355SS*.THydrogen-bonded Turntrans-56.7-29-173.7-63.1-175.5169.600113.2
351N93.1Very high94.5Very high97 Ų9776.5 Ų76.552%0.51937%0.366SS..THydrogen-bonded Turntrans-88.2-9.5-177.9-66.9-35.9000113.5D349 F353 Q354 R355D349-N351 PolarHBondContact O-N 2.94Å; D349-N351 VanDerWaalsContact O-N 3.11Å; N351-F353 VanDerWaalsContact C-N 3.33Å; N351-F353 PolarHBondContact O-N 3.06Å; N351-Q354 WeakPolarHBondContact O-CB 3.35Å; N351-Q354 PolarHBondContact O-N 3.39Å; N351-R355 PolarHBondContact O-N 2.84Å; N351-R355 PolarHBondContact O-NH1 3.38Å
352R94.6Very high94.2Very high29 Ų2977.5 Ų77.511%0.10937%0.369CS..Hα-helixtrans-61.7-42-177.3-173.7165.5-71.5-91-13.4112.5I342 W346 D349 Q354 R355 M356 D398 D401I342-R352 HydrophobicContact CG2-CB 4.12Å; I342-R352 HydrophobicContact CG2-CG 4.06Å; W346-R352 VanDerWaalsContact CD2-CD 3.44Å; W346-R352 HydrophobicContact CE3-CG 4.3Å; W346-R352 VanDerWaalsContact CZ3-CD 3.49Å; D349-R352 HydrophobicContact CB-CB 4.06Å; D349-R352 WeakPolarHBondContact O-CB 3.07Å; D349-R352 PolarHBondContact O-N 3.08Å; D349-R352 PolarHBondContact OD1-N 3.14Å; D349-R352 IonicContact OD2-CZ 3.68Å; D349-R352 VanDerWaalsContact OD2-CZ 3.27Å; D349-R352 IonicContact OD2-NE 3.9Å; D349-R352 PolarHBondContact OD2-NE 2.87Å; D349-R352 IonicContact OD2-NH2 2.67Å; D349-R352 PolarHBondContact OD2-NH2 3.14Å; R352-Q354 VanDerWaalsContact C-N 3.3Å; R352-Q354 PolarHBondContact O-N 3.45Å; R352-R355 PolarHBondContact O-N 2.78Å; R352-M356 HydrophobicContact CG-CG 4.41Å; R352-M356 HydrophobicContact CG-SD 3.56Å; R352-M356 VanDerWaalsContact CG-SD 3.56Å; R352-M356 WeakPolarHBondContact O-CG 3.32Å; R352-M356 PolarHBondContact O-N 3.18Å; R352-M356 VanDerWaalsContact O-N 3.16Å; R352-D398 IonicContact CZ-OD1 3.84Å; R352-D398 IonicContact NH1-OD1 2.97Å; R352-D398 PolarHBondContact NH1-OD1 3.04Å; R352-D398 IonicContact NH1-OD2 3.52Å; R352-D398 IonicContact NH2-OD1 3.79Å; R352-D398 PolarHBondContact NH2-OD1 2.97Å; R352-D401 IonicContact NH1-OD2 3.62Å
353F95.4Very high93.8Very high30 Ų3086 Ų8613%0.13241%0.414CS..Hα-helixtrans-60.1-42.4177.1173.4-106.8000111.4D335 F338 K339 I342 N351 R355 M356 S357D335-F353 WeakPolarHBondContact OD2-CZ 3.35Å; F338-F353 HydrophobicContact CD1-CE2 4.38Å; K339-F353 VanDerWaalsContact CA-CD2 3.47Å; K339-F353 VanDerWaalsContact CA-CE2 3.5Å; K339-F353 HydrophobicContact CB-CD1 4.45Å; K339-F353 HydrophobicContact CB-CD2 3.66Å; K339-F353 HydrophobicContact CB-CE1 4.22Å; K339-F353 HydrophobicContact CB-CE2 3.39Å; K339-F353 HydrophobicContact CB-CG 4.18Å; K339-F353 HydrophobicContact CB-CZ 3.69Å; K339-F353 HydrophobicContact CD-CD1 3.89Å; K339-F353 HydrophobicContact CD-CE1 3.7Å; K339-F353 HydrophobicContact CD-CE2 4.42Å; K339-F353 HydrophobicContact CD-CG 4.32Å; K339-F353 HydrophobicContact CD-CZ 3.98Å; K339-F353 HydrophobicContact CG-CD1 3.86Å; K339-F353 HydrophobicContact CG-CD2 3.78Å; K339-F353 HydrophobicContact CG-CE1 3.96Å; K339-F353 HydrophobicContact CG-CE2 3.88Å; K339-F353 HydrophobicContact CG-CG 3.76Å; K339-F353 HydrophobicContact CG-CZ 3.96Å; I342-F353 HydrophobicContact CB-CB 4.44Å; I342-F353 HydrophobicContact CG1-CD2 4.37Å; I342-F353 HydrophobicContact CG2-CB 4.05Å; N351-F353 VanDerWaalsContact C-N 3.33Å; N351-F353 PolarHBondContact O-N 3.06Å; F353-R355 VanDerWaalsContact C-N 3.29Å; F353-R355 PolarHBondContact O-N 3.16Å; F353-M356 CarbonylContact O-C 3.41Å; F353-M356 PolarHBondContact O-N 3.17Å; F353-S357 WeakPolarHBondContact O-CA 3.43Å; F353-S357 WeakPolarHBondContact O-CB 3.3Å; F353-S357 PolarHBondContact O-N 2.98Å
354Q94Very high93.8Very high124 Ų12487 Ų8758%0.57942%0.417SS*.Hα-helixtrans-59.1-40.8178.9-170.61799.700112N351 R352 M356 Q360N351-Q354 WeakPolarHBondContact O-CB 3.35Å; N351-Q354 PolarHBondContact O-N 3.39Å; R352-Q354 VanDerWaalsContact C-N 3.3Å; R352-Q354 PolarHBondContact O-N 3.45Å; Q354-M356 VanDerWaalsContact C-N 3.31Å; Q354-M356 PolarHBondContact O-N 3.36Å; Q354-Q360 PolarHBondContact O-NE2 3.23Å
355R94.1Very high93.9Very high106 Ų10679.6 Ų79.640%0.440%0.398SS..Hα-helixtrans-68.6-27.9177.1-60.9-170.4-55.7-89.24.6113.6D349 N351 R352 F353 H371 D398D349-R355 IonicContact OD1-NH1 2.75Å; D349-R355 PolarHBondContact OD1-NH1 3.01Å; D349-R355 IonicContact OD1-NH2 3.78Å; D349-R355 IonicContact OD2-NH2 2.99Å; D349-R355 PolarHBondContact OD2-NH2 2.73Å; D349-R355 VanDerWaalsContact OD2-NH2 3.12Å; N351-R355 PolarHBondContact O-N 2.84Å; N351-R355 PolarHBondContact O-NH1 3.38Å; R352-R355 PolarHBondContact O-N 2.78Å; F353-R355 VanDerWaalsContact C-N 3.29Å; F353-R355 PolarHBondContact O-N 3.16Å; R355-H371 PolarHBondContact O-CE1 3.31Å; R355-D398 IonicContact CZ-OD2 3.15Å; R355-D398 IonicContact NE-OD2 2.81Å; R355-D398 PolarHBondContact NE-OD2 2.96Å; R355-D398 IonicContact NH2-OD1 2.7Å; R355-D398 IonicContact NH2-OD2 2.83Å; R355-D398 PolarHBondContact NH2-OD2 3.44Å
356M96.8Very high94Very high1 Ų173.4 Ų73.41%0.00538%0.375CS..Hα-helixtrans-104.1-7.9-175.2-58.717677.700113.6F338 I342 R352 F353 Q354 D398 F399 L402F338-M356 HydrophobicContact CE1-CB 3.83Å; F338-M356 HydrophobicContact CZ-CB 4.29Å; F338-M356 HydrophobicContact CZ-CE 3.93Å; I342-M356 HydrophobicContact CD1-CE 3.83Å; I342-M356 HydrophobicContact CD1-SD 3.6Å; I342-M356 VanDerWaalsContact CD1-SD 3.6Å; I342-M356 HydrophobicContact CG1-SD 4.46Å; R352-M356 HydrophobicContact CG-CG 4.41Å; R352-M356 HydrophobicContact CG-SD 3.56Å; R352-M356 VanDerWaalsContact CG-SD 3.56Å; R352-M356 WeakPolarHBondContact O-CG 3.32Å; R352-M356 PolarHBondContact O-N 3.18Å; R352-M356 VanDerWaalsContact O-N 3.16Å; F353-M356 CarbonylContact O-C 3.41Å; F353-M356 PolarHBondContact O-N 3.17Å; Q354-M356 VanDerWaalsContact C-N 3.31Å; Q354-M356 PolarHBondContact O-N 3.36Å; M356-D398 HydrophobicContact CE-CB 4.06Å; M356-D398 VanDerWaalsContact CE-O 3.24Å; M356-D398 WeakPolarHBondContact CE-O 3.46Å; M356-D398 HydrophobicContact CG-CB 3.74Å; M356-D398 HydrophobicContact SD-CB 3.62Å; M356-F399 HydrophobicContact CB-CE1 4.14Å; M356-F399 HydrophobicContact CB-CE2 4.27Å; M356-F399 HydrophobicContact CB-CZ 3.84Å; M356-F399 HydrophobicContact CE-CB 4.23Å; M356-F399 HydrophobicContact CE-CD1 3.52Å; M356-F399 HydrophobicContact CE-CD2 4.3Å; M356-F399 HydrophobicContact CE-CE1 3.91Å; M356-F399 HydrophobicContact CE-CG 3.75Å; M356-F399 HydrophobicContact CE-CZ 4.45Å; M356-F399 HydrophobicContact CG-CE2 4.38Å; M356-F399 HydrophobicContact CG-CZ 4.38Å; M356-F399 VanDerWaalsContact O-CZ 3.28Å; M356-F399 WeakPolarHBondContact O-CZ 3.39Å; M356-L402 HydrophobicContact CE-CB 4.36Å; M356-L402 HydrophobicContact CE-CD2 4.18Å
357S97.7Very high94.2Very high9 Ų971.4 Ų71.46%0.06337%0.368CS..  trans-57143.2-178.5165.20000111.1D335 F353 F359 Q360 H371D335-S357 WeakPolarHBondContact OD1-CA 3.39Å; D335-S357 PolarHBondContact OD2-OG 2.88Å; F353-S357 WeakPolarHBondContact O-CA 3.43Å; F353-S357 WeakPolarHBondContact O-CB 3.3Å; F353-S357 PolarHBondContact O-N 2.98Å; S357-F359 WeakPolarHBondContact CB-O 3.45Å; S357-F359 PolarHBondContact O-N 3.07Å; S357-F359 PolarHBondContact OG-N 2.73Å; S357-F359 PolarHBondContact OG-O 3.31Å; S357-Q360 PolarHBondContact O-NE2 2.91Å; S357-H371 PolarHBondContact O-ND1 2.91Å
358I98.3Very high94.4Very high0 Ų066.4 Ų66.40%034%0.335CS..SBendtrans-65.9-34.4172-61.4170.2000109.9I331 I334 D335 V367 S368 H371 L372 I375I331-I358 HydrophobicContact CG2-CB 4.31Å; I331-I358 HydrophobicContact CG2-CD1 4.31Å; I331-I358 HydrophobicContact CG2-CG2 3.59Å; I334-I358 HydrophobicContact CB-CD1 4.42Å; I334-I358 HydrophobicContact CG2-CD1 3.79Å; D335-I358 HydrophobicContact CB-CB 4.38Å; D335-I358 HydrophobicContact CB-CD1 4.2Å; D335-I358 HydrophobicContact CB-CG1 4.48Å; D335-I358 PolarHBondContact OD1-N 2.85Å; I358-V367 HydrophobicContact CG2-CG1 3.73Å; I358-S368 PolarHBondContact O-N 3.26Å; I358-H371 HydrophobicContact CG1-CB 4.36Å; I358-L372 HydrophobicContact CD1-CD1 3.99Å; I358-L372 HydrophobicContact CG2-CB 4.22Å; I358-I375 HydrophobicContact CD1-CD1 3.79Å; I358-I375 HydrophobicContact CG1-CD1 3.5Å
359F98.1Very high94.6Very high43 Ų4361 Ų6119%0.18930%0.298CS..EExtended strand (participates in β ladder)trans-85.5123.8174.4-60.4-87.8000110L317 I331 R332 D335 S357 V366 V367L317-F359 HydrophobicContact CD1-CD1 4.14Å; L317-F359 HydrophobicContact CD1-CE1 3.68Å; L317-F359 HydrophobicContact CD2-CD1 4.26Å; L317-F359 HydrophobicContact CD2-CE1 4.44Å; I331-F359 HydrophobicContact CB-CZ 4.25Å; I331-F359 HydrophobicContact CG2-CE2 3.83Å; I331-F359 HydrophobicContact CG2-CZ 3.64Å; R332-F359 HydrophobicContact CB-CE2 4.37Å; R332-F359 HydrophobicContact CB-CZ 4.28Å; R332-F359 HydrophobicContact CG-CE1 4.22Å; R332-F359 HydrophobicContact CG-CE2 3.83Å; R332-F359 HydrophobicContact CG-CZ 3.41Å; R332-F359 VanDerWaalsContact CG-CZ 3.41Å; D335-F359 HydrophobicContact CB-CD2 4.06Å; D335-F359 HydrophobicContact CB-CE2 3.92Å; D335-F359 WeakPolarHBondContact OD2-CD2 3.21Å; S357-F359 WeakPolarHBondContact CB-O 3.45Å; S357-F359 PolarHBondContact O-N 3.07Å; S357-F359 PolarHBondContact OG-N 2.73Å; S357-F359 PolarHBondContact OG-O 3.31Å; F359-V366 WeakPolarHBondContact CA-O 3.48Å; F359-V367 HydrophobicContact CD1-CG2 4Å; F359-V367 HydrophobicContact CE1-CG2 3.83Å
360Q95.9Very high94.8Very high45 Ų4559 Ų5921%0.2129%0.287CS..EExtended strand (participates in β ladder)trans-125.6161.3-179.1-65.8-65.9-44.600109.8Q354 S357 V366Q354-Q360 PolarHBondContact O-NE2 3.23Å; S357-Q360 PolarHBondContact O-NE2 2.91Å; Q360-V366 HydrophobicContact CB-CG2 3.93Å; Q360-V366 PolarHBondContact N-O 3.15Å; Q360-V366 WeakPolarHBondContact O-CG2 3.28Å; Q360-V366 PolarHBondContact O-N 3.41Å
361E92.6Very high95.4Very high160 Ų16051.6 Ų51.675%0.74825%0.252SS*.EExtended strand (participates in β ladder)trans-113.3110.9171.2-98.4177.4151.800109.3
362I87.2Confident95.6Very high69 Ų6947 Ų4735%0.35423%0.228SC..SBendtrans-130.685.1176.5-54.9180000107.5Y314 E364 V366Y314-I362 HydrophobicContact CD1-CD1 3.77Å; Y314-I362 HydrophobicContact CD2-CD1 3.77Å; Y314-I362 HydrophobicContact CE1-CD1 3.48Å; Y314-I362 VanDerWaalsContact CE1-CD1 3.48Å; Y314-I362 HydrophobicContact CE2-CD1 3.48Å; Y314-I362 VanDerWaalsContact CE2-CD1 3.48Å; Y314-I362 HydrophobicContact CG-CD1 3.9Å; I362-E364 PolarHBondContact N-O 3.01Å; I362-E364 PolarHBondContact O-N 3.5Å; I362-V366 HydrophobicContact CB-CG2 4.25Å; I362-V366 HydrophobicContact CD1-CG2 4.13Å; I362-V366 HydrophobicContact CG1-CG2 4.03Å
363N88.7Confident95.8Very high179 Ų17945.6 Ų45.696%0.95722%0.222SC*.SBendtrans63.1-34.6-167.3-47.9-57.6000114.6
364E93.5Very high95.9Very high98 Ų9844.2 Ų44.246%0.45822%0.216SC..SBendtrans-137.2163.1173.164.2-175.3165.100110.1I362 V366I362-E364 PolarHBondContact N-O 3.01Å; I362-E364 PolarHBondContact O-N 3.5Å; E364-V366 HydrophobicContact CG-CG1 3.99Å; E364-V366 PolarHBondContact O-N 3.13Å
365P96.9Very high96.1Very high69 Ų6938.7 Ų38.745%0.44819%0.191SC..EExtended strand (participates in β ladder)trans-63124.7172.1-23.334.8000111.6L317L317-P365 HydrophobicContact CB-CB 4.14Å; L317-P365 WeakPolarHBondContact CB-O 3.24Å; L317-P365 HydrophobicContact CD2-CB 4.17Å; L317-P365 PolarHBondContact N-O 3.26Å
366V97.1Very high96.2Very high8 Ų833.7 Ų33.75%0.04817%0.172CC..EExtended strand (participates in β ladder)trans-132.1161.1-178-620000112.3Y314 W315 F359 Q360 I362 E364Y314-V366 HydrophobicContact CD1-CB 4.5Å; Y314-V366 HydrophobicContact CD1-CG2 3.75Å; Y314-V366 HydrophobicContact CG-CG2 4.11Å; W315-V366 CarbonylContact O-C 3.58Å; W315-V366 VanDerWaalsContact O-CA 3.28Å; W315-V366 WeakPolarHBondContact O-CA 3.36Å; F359-V366 WeakPolarHBondContact CA-O 3.48Å; Q360-V366 HydrophobicContact CB-CG2 3.93Å; Q360-V366 PolarHBondContact N-O 3.15Å; Q360-V366 WeakPolarHBondContact O-CG2 3.28Å; Q360-V366 PolarHBondContact O-N 3.41Å; I362-V366 HydrophobicContact CB-CG2 4.25Å; I362-V366 HydrophobicContact CD1-CG2 4.13Å; I362-V366 HydrophobicContact CG1-CG2 4.03Å; E364-V366 HydrophobicContact CG-CG1 3.99Å; E364-V366 PolarHBondContact O-N 3.13Å
367V98.2Very high96.2Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-106.7119.3172.9178.40000108.8Y314 W315 L317 L320 I331 I358 F359 M369Y314-V367 WeakPolarHBondContact CA-O 3.45Å; W315-V367 PolarHBondContact N-O 3.11Å; W315-V367 VanDerWaalsContact N-O 3.1Å; W315-V367 PolarHBondContact O-N 2.86Å; L317-V367 HydrophobicContact CD1-CG2 3.93Å; L320-V367 HydrophobicContact CD2-CB 4.17Å; L320-V367 HydrophobicContact CD2-CG1 4.21Å; L320-V367 HydrophobicContact CD2-CG2 3.87Å; I331-V367 HydrophobicContact CD1-CG1 4.37Å; I331-V367 HydrophobicContact CG2-CG1 4.34Å; I358-V367 HydrophobicContact CG2-CG1 3.73Å; F359-V367 HydrophobicContact CD1-CG2 4Å; F359-V367 HydrophobicContact CE1-CG2 3.83Å; V367-M369 HydrophobicContact CG1-SD 3.91Å; V367-M369 PolarHBondContact O-N 3.39Å
368S97.7Very high96.1Very high0 Ų035.8 Ų35.80%018%0.18CC..EExtended strand (participates in β ladder)trans-78.7111.4175.9176.70000110.7I358 H371 L372I358-S368 PolarHBondContact O-N 3.26Å; S368-H371 PolarHBondContact O-N 3.06Å; S368-H371 PolarHBondContact OG-CD2 3.11Å; S368-H371 PolarHBondContact OG-N 3.38Å; S368-L372 PolarHBondContact O-N 2.95Å; S368-L372 VanDerWaalsContact O-N 3.13Å
369M98.1Very high96.1Very high0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-74.7-30.2-178.8-56.1-49.2-68.400111.8T268 A271 L272 K313 W315 V367 L372 C373T268-M369 HydrophobicContact CG2-CB 4.25Å; A271-M369 HydrophobicContact CB-CB 4.08Å; A271-M369 HydrophobicContact CB-CE 3.52Å; L272-M369 HydrophobicContact CD2-CE 3.9Å; L272-M369 HydrophobicContact CG-CE 3.93Å; K313-M369 HydrophobicContact CB-CB 4.29Å; K313-M369 HydrophobicContact CD-CG 4.33Å; K313-M369 HydrophobicContact CG-CB 4.47Å; K313-M369 HydrophobicContact CG-CG 4.2Å; K313-M369 PolarHBondContact O-N 3.04Å; W315-M369 VanDerWaalsContact CD1-SD 3.54Å; V367-M369 HydrophobicContact CG1-SD 3.91Å; V367-M369 PolarHBondContact O-N 3.39Å; M369-L372 HydrophobicContact CE-CD2 3.73Å; M369-L372 PolarHBondContact O-N 3.38Å; M369-L372 HydrophobicContact SD-CD2 4.47Å; M369-C373 WeakPolarHBondContact O-CB 3.38Å; M369-C373 PolarHBondContact O-N 2.91Å
370D96.7Very high96.1Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-62.1-46.6172-69-91.4000111.3T268 N304 L312 K313 L372 C373 I374 F396T268-D370 HydrophobicContact CG2-CB 4.21Å; T268-D370 VanDerWaalsContact CG2-CG 3.46Å; T268-D370 WeakPolarHBondContact CG2-OD1 3.29Å; N304-D370 PolarHBondContact ND2-OD1 3.31Å; L312-D370 HydrophobicContact CD2-CB 4.32Å; K313-D370 PolarHBondContact N-OD2 2.74Å; K313-D370 VanDerWaalsContact N-OD2 3.09Å; D370-L372 PolarHBondContact O-N 3.41Å; D370-C373 PolarHBondContact O-N 3.2Å; D370-I374 VanDerWaalsContact O-CG1 3.26Å; D370-I374 WeakPolarHBondContact O-CG1 3.19Å; D370-I374 PolarHBondContact O-N 3.07Å; D370-F396 HydrophobicContact CB-CE1 4.1Å; D370-F396 HydrophobicContact CB-CZ 3.79Å
371H97.7Very high96.1Very high17 Ų1732.9 Ų32.98%0.07917%0.167CC..Hα-helixtrans-64.1-43.4177.8-66.6-175.1000111.2R355 S357 I358 S368 C373 I374 I375 F399R355-H371 PolarHBondContact O-CE1 3.31Å; S357-H371 PolarHBondContact O-ND1 2.91Å; I358-H371 HydrophobicContact CG1-CB 4.36Å; S368-H371 PolarHBondContact O-N 3.06Å; S368-H371 PolarHBondContact OG-CD2 3.11Å; S368-H371 PolarHBondContact OG-N 3.38Å; H371-C373 VanDerWaalsContact C-N 3.33Å; H371-C373 PolarHBondContact O-N 3.23Å; H371-I374 PolarHBondContact O-N 3.41Å; H371-I375 WeakPolarHBondContact O-CB 3.48Å; H371-I375 WeakPolarHBondContact O-CD1 3.39Å; H371-I375 VanDerWaalsContact O-CG1 3.29Å; H371-I375 WeakPolarHBondContact O-CG1 3.44Å; H371-I375 PolarHBondContact O-N 3.27Å; H371-F399 HydrophobicContact CB-CZ 3.98Å; H371-F399 AromaticContact CD2-CE2 3.55Å; H371-F399 AromaticContact CD2-CZ 3.77Å; H371-F399 AromaticContact CG-CE2 3.94Å; H371-F399 AromaticContact CG-CZ 3.67Å; H371-F399 AromaticContact NE2-CE2 3.71Å
372L98.4Very high96.3Very high0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-56.6-46.9174.3177.663.2000111.4I274 P275 I331 I334 I358 S368 M369 D370 I375 G376I274-L372 HydrophobicContact CD1-CG 4.28Å; I274-L372 WeakPolarHBondContact CD1-O 3.37Å; I274-L372 HydrophobicContact CG2-CD1 4.07Å; P275-L372 HydrophobicContact CG-CD2 4.34Å; I331-L372 HydrophobicContact CD1-CD2 4.38Å; I331-L372 HydrophobicContact CG1-CD1 4.44Å; I331-L372 HydrophobicContact CG1-CD2 4.46Å; I334-L372 HydrophobicContact CD1-CD1 4.36Å; I358-L372 HydrophobicContact CD1-CD1 3.99Å; I358-L372 HydrophobicContact CG2-CB 4.22Å; S368-L372 PolarHBondContact O-N 2.95Å; S368-L372 VanDerWaalsContact O-N 3.13Å; M369-L372 HydrophobicContact CE-CD2 3.73Å; M369-L372 PolarHBondContact O-N 3.38Å; M369-L372 HydrophobicContact SD-CD2 4.47Å; D370-L372 PolarHBondContact O-N 3.41Å; L372-I375 PolarHBondContact O-N 3.16Å; L372-G376 PolarHBondContact O-N 3.24Å
373C98Very high96.8Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-61.1-45.1176.9-85.20000112.9A271 H302 M369 D370 H371 S377A271-C373 WeakPolarHBondContact CB-SG 3.47Å; H302-C373 HydrophobicContact CB-CB 4.25Å; M369-C373 WeakPolarHBondContact O-CB 3.38Å; M369-C373 PolarHBondContact O-N 2.91Å; D370-C373 PolarHBondContact O-N 3.2Å; H371-C373 VanDerWaalsContact C-N 3.33Å; H371-C373 PolarHBondContact O-N 3.23Å; C373-S377 WeakPolarHBondContact O-CB 3.23Å; C373-S377 PolarHBondContact O-N 3Å; C373-S377 PolarHBondContact O-OG 3.27Å
374I97.6Very high97.2Very high0 Ų013.5 Ų13.50%07%0.07CC..Hα-helixtrans-64.4-43-179.8-66.3162.5000111D370 H371 V380 F396 F399 K406 F407D370-I374 VanDerWaalsContact O-CG1 3.26Å; D370-I374 WeakPolarHBondContact O-CG1 3.19Å; D370-I374 PolarHBondContact O-N 3.07Å; H371-I374 PolarHBondContact O-N 3.41Å; I374-V380 HydrophobicContact CB-CG2 4.37Å; I374-V380 HydrophobicContact CG1-CG2 4.12Å; I374-V380 HydrophobicContact CG2-CG2 4.41Å; I374-F396 HydrophobicContact CD1-CB 4.15Å; I374-F396 HydrophobicContact CD1-CD1 3.59Å; I374-F396 HydrophobicContact CD1-CD2 3.72Å; I374-F396 HydrophobicContact CD1-CE1 3.83Å; I374-F396 HydrophobicContact CD1-CE2 3.92Å; I374-F396 HydrophobicContact CD1-CG 3.55Å; I374-F396 HydrophobicContact CD1-CZ 3.99Å; I374-F399 HydrophobicContact CB-CD1 4.35Å; I374-F399 HydrophobicContact CD1-CD2 4.18Å; I374-F399 HydrophobicContact CD1-CE2 4.44Å; I374-F399 HydrophobicContact CD1-CG 4.38Å; I374-F399 HydrophobicContact CG2-CB 3.85Å; I374-F399 HydrophobicContact CG2-CD1 3.5Å; I374-F399 HydrophobicContact CG2-CE1 4.14Å; I374-F399 HydrophobicContact CG2-CG 3.73Å; I374-K406 PolarHBondContact O-NZ 3.46Å; I374-F407 HydrophobicContact CG2-CZ 4.09Å
375I97.8Very high97.2Very high9 Ų912.3 Ų12.35%0.0467%0.066CC..Hα-helixtrans-68.3-47179.6-67.2162.8000110.5W293 I334 F338 I358 H371 L372 S377 F399 W403W293-I375 HydrophobicContact CH2-CG2 4.11Å; W293-I375 HydrophobicContact CZ2-CG2 3.99Å; I334-I375 HydrophobicContact CG2-CG2 3.9Å; F338-I375 HydrophobicContact CD1-CD1 3.46Å; F338-I375 VanDerWaalsContact CD1-CD1 3.46Å; F338-I375 HydrophobicContact CD1-CG1 4.13Å; F338-I375 HydrophobicContact CD2-CD1 4.34Å; F338-I375 HydrophobicContact CD2-CG1 4.17Å; F338-I375 HydrophobicContact CD2-CG2 4.33Å; F338-I375 HydrophobicContact CE1-CD1 3.53Å; F338-I375 HydrophobicContact CE1-CG1 3.96Å; F338-I375 HydrophobicContact CE2-CD1 4.42Å; F338-I375 HydrophobicContact CE2-CG1 4.04Å; F338-I375 HydrophobicContact CG-CD1 3.87Å; F338-I375 HydrophobicContact CG-CG1 4.2Å; F338-I375 HydrophobicContact CG-CG2 4.4Å; F338-I375 HydrophobicContact CZ-CD1 4Å; F338-I375 HydrophobicContact CZ-CG1 3.88Å; I358-I375 HydrophobicContact CD1-CD1 3.79Å; I358-I375 HydrophobicContact CG1-CD1 3.5Å; H371-I375 WeakPolarHBondContact O-CB 3.48Å; H371-I375 WeakPolarHBondContact O-CD1 3.39Å; H371-I375 VanDerWaalsContact O-CG1 3.29Å; H371-I375 WeakPolarHBondContact O-CG1 3.44Å; H371-I375 PolarHBondContact O-N 3.27Å; L372-I375 PolarHBondContact O-N 3.16Å; I375-S377 PolarHBondContact O-N 3.4Å; I375-F399 HydrophobicContact CD1-CE1 4.18Å; I375-F399 HydrophobicContact CG1-CE1 3.9Å; I375-W403 HydrophobicContact CG1-CZ3 4.48Å
376G97.5Very high97Very high0 Ų011.1 Ų11.10%05%0.054CC..Hα-helixtrans-83.4-3.9-174.300000116.5L372L372-G376 PolarHBondContact O-N 3.24Å
377S97.4Very high96.8Very high1 Ų110.8 Ų10.81%0.0075%0.051CC..  trans-111.4142.9179.2-54.40000112.1F300 C373 I375 K406F300-S377 CarbonylContact O-C 3.59Å; F300-S377 VanDerWaalsContact O-CA 3.25Å; F300-S377 WeakPolarHBondContact O-CA 3.27Å; F300-S377 WeakPolarHBondContact O-CB 3.36Å; C373-S377 WeakPolarHBondContact O-CB 3.23Å; C373-S377 PolarHBondContact O-N 3Å; C373-S377 PolarHBondContact O-OG 3.27Å; I375-S377 PolarHBondContact O-N 3.4Å; S377-K406 WeakPolarHBondContact O-CD 3.38Å; S377-K406 WeakPolarHBondContact O-CE 3.45Å; S377-K406 PolarHBondContact O-NZ 2.98Å
378H95.5Very high96.7Very high53 Ų5311.1 Ų11.125%0.2455%0.054CC..SBendtrans-82.5-18176.459.4-81.3000113.7S297 R298 F300 T301S297-H378 VanDerWaalsContact O-CB 3.32Å; S297-H378 WeakPolarHBondContact O-CB 3.33Å; S297-H378 PolarHBondContact O-N 3.27Å; S297-H378 PolarHBondContact O-ND1 2.86Å; S297-H378 VanDerWaalsContact O-ND1 3.16Å; R298-H378 PolarHBondContact O-CE1 2.73Å; R298-H378 PolarHBondContact O-ND1 2.99Å; F300-H378 PolarHBondContact O-CE1 3.27Å; F300-H378 VanDerWaalsContact O-CE1 3.22Å; F300-H378 PolarHBondContact O-N 2.61Å; F300-H378 PolarHBondContact O-ND1 3.47Å; T301-H378 WeakPolarHBondContact CG2-CE1 3.43Å; T301-H378 VanDerWaalsContact CG2-NE2 3.29Å; T301-H378 WeakPolarHBondContact CG2-NE2 3.44Å
379F97.2Very high96.5Very high26 Ų2615.1 Ų15.111%0.1148%0.075CC..EExtended strand (participates in β ladder)trans-132.5140.9168.9-75.2-67.6000111.2T301 H302 T408 I753T301-F379 HydrophobicContact CG2-CB 4.09Å; T301-F379 HydrophobicContact CG2-CD2 4.35Å; H302-F379 PolarHBondContact N-O 3.32Å; F379-T408 HydrophobicContact CD1-CG2 4.17Å; F379-T408 HydrophobicContact CE1-CG2 4.42Å; F379-I753 HydrophobicContact CB-CG1 4.47Å; F379-I753 HydrophobicContact CB-CG2 3.94Å; F379-I753 HydrophobicContact CD2-CB 4.37Å; F379-I753 HydrophobicContact CD2-CG2 4.01Å; F379-I753 HydrophobicContact CG-CG1 4.39Å; F379-I753 HydrophobicContact CG-CG2 4.21Å
380V97.3Very high96.2Very high0 Ų017.6 Ų17.60%09%0.087CC..EExtended strand (participates in β ladder)trans-124.8132.3171.8176.80000107.7H302 I374 K406 F407 T408H302-V380 CarbonylContact O-C 3.54Å; H302-V380 VanDerWaalsContact O-CA 3.26Å; H302-V380 WeakPolarHBondContact O-CA 3.35Å; I374-V380 HydrophobicContact CB-CG2 4.37Å; I374-V380 HydrophobicContact CG1-CG2 4.12Å; I374-V380 HydrophobicContact CG2-CG2 4.41Å; V380-K406 HydrophobicContact CB-CG 4.35Å; V380-K406 HydrophobicContact CG2-CD 4.05Å; V380-K406 HydrophobicContact CG2-CG 4Å; V380-K406 PolarHBondContact N-O 3.04Å; V380-F407 HydrophobicContact CB-CD1 4.24Å; V380-F407 HydrophobicContact CB-CE1 4.26Å; V380-F407 HydrophobicContact CG1-CD1 4Å; V380-F407 HydrophobicContact CG1-CE1 3.85Å; V380-F407 CarbonylContact O-C 3.57Å; V380-F407 VanDerWaalsContact O-CA 3.28Å; V380-F407 WeakPolarHBondContact O-CA 3.26Å; V380-T408 PolarHBondContact O-N 3.05Å
381N97.6Very high96.1Very high1 Ų117.7 Ų17.71%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-134150.2175.369.4-94.3000114.1H302 T303 N304 T408 K410 Y749 I753H302-N381 PolarHBondContact O-N 3.04Å; H302-N381 PolarHBondContact O-OD1 3.34Å; T303-N381 WeakPolarHBondContact CA-O 3.34Å; T303-N381 WeakPolarHBondContact CG2-ND2 3.45Å; T303-N381 PolarHBondContact OG1-ND2 2.95Å; T303-N381 PolarHBondContact OG1-OD1 3.1Å; T303-N381 VanDerWaalsContact OG1-OD1 3.05Å; N304-N381 PolarHBondContact N-O 3.39Å; N381-T408 WeakPolarHBondContact CA-O 3.44Å; N381-T408 WeakPolarHBondContact CB-O 3.38Å; N381-T408 WeakPolarHBondContact CB-OG1 3.27Å; N381-K410 HydrophobicContact CB-CG 4.33Å; N381-Y749 PolarHBondContact ND2-OH 3.27Å; N381-Y749 WeakPolarHBondContact OD1-CE1 3.41Å; N381-I753 HydrophobicContact CB-CD1 4.19Å
382G97.1Very high96Very high1 Ų119 Ų191%0.019%0.094CC..EExtended strand (participates in β ladder)trans-89.7178.9162.700000112.3T388 T408 K410G382-T388 VanDerWaalsContact CA-OG1 3.29Å; G382-T388 WeakPolarHBondContact CA-OG1 3.36Å; G382-T408 PolarHBondContact N-O 2.99Å; G382-T408 VanDerWaalsContact N-O 3.16Å; G382-K410 PolarHBondContact O-N 3Å; G382-K410 VanDerWaalsContact O-N 3.07Å
383V97.4Very high95.8Very high1 Ų123.9 Ų23.91%0.00612%0.12CC..SBendtrans-117.1-0.3-169.9-65.90000114.6T303 T411 N412 A602 S603T303-V383 HydrophobicContact CG2-CG1 3.46Å; T303-V383 VanDerWaalsContact CG2-CG1 3.46Å; V383-T411 WeakPolarHBondContact O-CA 3.45Å; V383-N412 PolarHBondContact O-N 3.19Å; V383-A602 HydrophobicContact CG2-CB 3.71Å; V383-S603 WeakPolarHBondContact O-CB 3.42Å; V383-S603 PolarHBondContact O-OG 3.21Å
384S96.5Very high95.5Very high0 Ų028.2 Ų28.20%015%0.146CC..SBendtrans-150.2162163.471.80000109.1F386 Q387 T388 N409 A602 E627S384-F386 VanDerWaalsContact C-N 3.28Å; S384-F386 PolarHBondContact O-N 3.04Å; S384-Q387 PolarHBondContact O-N 3.06Å; S384-Q387 WeakPolarHBondContact OG-CB 3.44Å; S384-Q387 PolarHBondContact OG-N 3.18Å; S384-Q387 VanDerWaalsContact OG-N 3.1Å; S384-T388 WeakPolarHBondContact O-CB 3.45Å; S384-T388 PolarHBondContact O-N 3.25Å; S384-T388 PolarHBondContact O-OG1 3.43Å; S384-N409 PolarHBondContact O-OD1 3.41Å; S384-A602 VanDerWaalsContact CB-O 3.24Å; S384-A602 WeakPolarHBondContact CB-O 3.38Å; S384-A602 PolarHBondContact OG-O 2.97Å; S384-E627 WeakPolarHBondContact CB-OE2 3.38Å
385I94.3Very high95.2Very high72 Ų7229.7 Ų29.737%0.36915%0.154SC..Hα-helixtrans-59.2-44.6176.9-63.8172.5000110.3T388 N389 N409 E627I385-T388 PolarHBondContact O-N 3.37Å; I385-N389 PolarHBondContact O-N 3.33Å; I385-N389 PolarHBondContact O-ND2 2.88Å; I385-N409 WeakPolarHBondContact CG1-ND2 3.24Å; I385-N409 PolarHBondContact N-OD1 2.98Å; I385-E627 HydrophobicContact CD1-CG 4.22Å; I385-E627 PolarHBondContact N-OE2 2.88Å
386F91.3Very high95.1Very high45 Ų4529.4 Ų29.420%0.19715%0.152CC..Hα-helixtrans-60.9-48.9-179.9177.5-99000112.1S384 N389 H390 D622 I626 I644S384-F386 VanDerWaalsContact C-N 3.28Å; S384-F386 PolarHBondContact O-N 3.04Å; F386-N389 PolarHBondContact O-N 2.93Å; F386-H390 PolarHBondContact O-N 3Å; F386-D622 WeakPolarHBondContact CE1-OD1 3.45Å; F386-I626 HydrophobicContact CB-CD1 3.75Å; F386-I626 HydrophobicContact CD2-CD1 3.54Å; F386-I626 HydrophobicContact CE2-CD1 4.26Å; F386-I626 HydrophobicContact CG-CD1 3.69Å; F386-I644 HydrophobicContact CE2-CB 4.4Å; F386-I644 HydrophobicContact CE2-CG2 4.38Å; F386-I644 HydrophobicContact CZ-CB 4.34Å; F386-I644 HydrophobicContact CZ-CD1 4.3Å; F386-I644 HydrophobicContact CZ-CG1 4.18Å
387Q94.1Very high95Very high0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-67.3-39.7179.3-178.3-116.411.500111.5N304 V306 S307 S384 N389 H390 L391 A602N304-Q387 PolarHBondContact O-NE2 2.76Å; N304-Q387 PolarHBondContact OD1-NE2 3.44Å; V306-Q387 PolarHBondContact O-NE2 3.07Å; S307-Q387 WeakPolarHBondContact OG-CG 3.48Å; S384-Q387 PolarHBondContact O-N 3.06Å; S384-Q387 WeakPolarHBondContact OG-CB 3.44Å; S384-Q387 PolarHBondContact OG-N 3.18Å; S384-Q387 VanDerWaalsContact OG-N 3.1Å; Q387-N389 VanDerWaalsContact C-N 3.32Å; Q387-N389 PolarHBondContact O-N 2.99Å; Q387-H390 CarbonylContact O-C 3.3Å; Q387-H390 WeakPolarHBondContact O-CA 3.48Å; Q387-H390 WeakPolarHBondContact O-CB 3.4Å; Q387-H390 PolarHBondContact O-N 2.89Å; Q387-L391 WeakPolarHBondContact O-CG 3.4Å; Q387-L391 PolarHBondContact O-N 2.84Å; Q387-A602 HydrophobicContact CB-CB 4.3Å; Q387-A602 WeakPolarHBondContact CB-O 3.47Å; Q387-A602 HydrophobicContact CG-CB 3.8Å
388T95.4Very high95Very high8 Ų835 Ų355%0.04918%0.178CC..Hα-helixtrans-60.9-42.4176.6-58.80000111.3G382 S384 I385 H390 L391 I392 T408 N409G382-T388 VanDerWaalsContact CA-OG1 3.29Å; G382-T388 WeakPolarHBondContact CA-OG1 3.36Å; S384-T388 WeakPolarHBondContact O-CB 3.45Å; S384-T388 PolarHBondContact O-N 3.25Å; S384-T388 PolarHBondContact O-OG1 3.43Å; I385-T388 PolarHBondContact O-N 3.37Å; T388-H390 VanDerWaalsContact C-N 3.3Å; T388-H390 PolarHBondContact O-N 2.71Å; T388-L391 PolarHBondContact O-N 2.99Å; T388-I392 HydrophobicContact CG2-CD1 3.85Å; T388-I392 WeakPolarHBondContact O-CG1 3.49Å; T388-I392 PolarHBondContact O-N 3Å; T388-T408 WeakPolarHBondContact CG2-O 3.46Å; T388-N409 HydrophobicContact CG2-CB 3.99Å; T388-N409 PolarHBondContact OG1-OD1 2.81Å; T388-N409 VanDerWaalsContact OG1-OD1 3.13Å
389N94.1Very high95.1Very high84 Ų8432.7 Ų32.745%0.44917%0.167SC..Hα-helixtrans-62.9-37.3174.2-73.1-18.1000112I385 F386 Q387 I392 N393I385-N389 PolarHBondContact O-N 3.33Å; I385-N389 PolarHBondContact O-ND2 2.88Å; F386-N389 PolarHBondContact O-N 2.93Å; Q387-N389 VanDerWaalsContact C-N 3.32Å; Q387-N389 PolarHBondContact O-N 2.99Å; N389-I392 PolarHBondContact O-N 3.3Å; N389-N393 WeakPolarHBondContact O-CB 3.33Å; N389-N393 PolarHBondContact O-N 2.79Å; N389-N393 PolarHBondContact O-ND2 3.26Å
390H91.8Very high95Very high52 Ų5231.8 Ų31.824%0.24116%0.164CC..Hα-helixtrans-66.1-41.2174.8-172.169.4000112.2S307 F386 Q387 T388 I392 V394 L395S307-H390 PolarHBondContact O-CD2 3.49Å; S307-H390 PolarHBondContact O-NE2 3.11Å; F386-H390 PolarHBondContact O-N 3Å; Q387-H390 CarbonylContact O-C 3.3Å; Q387-H390 WeakPolarHBondContact O-CA 3.48Å; Q387-H390 WeakPolarHBondContact O-CB 3.4Å; Q387-H390 PolarHBondContact O-N 2.89Å; T388-H390 VanDerWaalsContact C-N 3.3Å; T388-H390 PolarHBondContact O-N 2.71Å; H390-I392 PolarHBondContact O-N 2.99Å; H390-V394 WeakPolarHBondContact O-CA 3.28Å; H390-V394 WeakPolarHBondContact O-CB 3.23Å; H390-V394 PolarHBondContact O-N 3.14Å; H390-L395 PolarHBondContact O-N 3.37Å; H390-L395 VanDerWaalsContact O-N 3.14Å
391L93.7Very high95Very high1 Ų134.7 Ų34.71%0.00518%0.18CC..Iπ-helixtrans-59.5-47.3174.5-64.9175.8000111.4N304 Q387 T388 L395 F396N304-L391 HydrophobicContact CB-CD1 4.04Å; Q387-L391 WeakPolarHBondContact O-CG 3.4Å; Q387-L391 PolarHBondContact O-N 2.84Å; T388-L391 PolarHBondContact O-N 2.99Å; L391-L395 HydrophobicContact CD2-CB 4.43Å; L391-L395 HydrophobicContact CD2-CD1 3.92Å; L391-F396 HydrophobicContact CB-CD2 4.29Å; L391-F396 HydrophobicContact CD2-CD2 3.78Å; L391-F396 HydrophobicContact CD2-CE2 3.65Å; L391-F396 CarbonylContact O-C 3.52Å; L391-F396 WeakPolarHBondContact O-CA 3.47Å; L391-F396 PolarHBondContact O-N 3.06Å
392I95.5Very high95Very high46 Ų4635.6 Ų35.624%0.23619%0.185CC..Iπ-helixtrans-70.3-40.7-176.3-69.5169.7000112.2T388 N389 H390 K397 A400 F407T388-I392 HydrophobicContact CG2-CD1 3.85Å; T388-I392 WeakPolarHBondContact O-CG1 3.49Å; T388-I392 PolarHBondContact O-N 3Å; N389-I392 PolarHBondContact O-N 3.3Å; H390-I392 PolarHBondContact O-N 2.99Å; I392-K397 VanDerWaalsContact O-CA 3.28Å; I392-K397 WeakPolarHBondContact O-CA 3.47Å; I392-A400 HydrophobicContact CB-CB 4.37Å; I392-A400 HydrophobicContact CG1-CB 4.49Å; I392-A400 HydrophobicContact CG2-CB 3.98Å; I392-F407 HydrophobicContact CD1-CB 3.9Å; I392-F407 HydrophobicContact CG1-CB 3.76Å; I392-F407 HydrophobicContact CG1-CD1 4.2Å; I392-F407 HydrophobicContact CG1-CG 4.11Å
393N94.1Very high94.9Very high101 Ų10138.8 Ų38.854%0.5420%0.197SC..Iπ-helixtrans-98.6-17.5-170.3-62.6-60.6000113.9N389N389-N393 WeakPolarHBondContact O-CB 3.33Å; N389-N393 PolarHBondContact O-N 2.79Å; N389-N393 PolarHBondContact O-ND2 3.26Å
394V91.3Very high94.8Very high91 Ų9143.3 Ų43.355%0.55223%0.226SC*.Iπ-helixtrans-125.9-69.7-173.6-171.60000111.5H390H390-V394 WeakPolarHBondContact O-CA 3.28Å; H390-V394 WeakPolarHBondContact O-CB 3.23Å; H390-V394 PolarHBondContact O-N 3.14Å
395L91.9Very high94.7Very high31 Ų3148.1 Ų48.116%0.16226%0.259CS..Iπ-helixtrans-69.9-44.6-167.8-67.7177.3000113.3V309 H390 L391V309-L395 HydrophobicContact CG2-CD2 3.4Å; V309-L395 VanDerWaalsContact CG2-CD2 3.4Å; H390-L395 PolarHBondContact O-N 3.37Å; H390-L395 VanDerWaalsContact O-N 3.14Å; L391-L395 HydrophobicContact CD2-CB 4.43Å; L391-L395 HydrophobicContact CD2-CD1 3.92Å
396F95.5Very high94.8Very high3 Ų345.7 Ų45.71%0.01325%0.246CC..THydrogen-bonded Turntrans-121.832.4-174.7-56.2-48.4000111.8L312 D370 I374 L391 D398 F399 A400 F407L312-F396 HydrophobicContact CD2-CE1 4.37Å; L312-F396 HydrophobicContact CD2-CZ 3.84Å; D370-F396 HydrophobicContact CB-CE1 4.1Å; D370-F396 HydrophobicContact CB-CZ 3.79Å; I374-F396 HydrophobicContact CD1-CB 4.15Å; I374-F396 HydrophobicContact CD1-CD1 3.59Å; I374-F396 HydrophobicContact CD1-CD2 3.72Å; I374-F396 HydrophobicContact CD1-CE1 3.83Å; I374-F396 HydrophobicContact CD1-CE2 3.92Å; I374-F396 HydrophobicContact CD1-CG 3.55Å; I374-F396 HydrophobicContact CD1-CZ 3.99Å; L391-F396 HydrophobicContact CB-CD2 4.29Å; L391-F396 HydrophobicContact CD2-CD2 3.78Å; L391-F396 HydrophobicContact CD2-CE2 3.65Å; L391-F396 CarbonylContact O-C 3.52Å; L391-F396 WeakPolarHBondContact O-CA 3.47Å; L391-F396 PolarHBondContact O-N 3.06Å; F396-D398 VanDerWaalsContact C-N 3.32Å; F396-D398 PolarHBondContact O-N 3.04Å; F396-F399 HydrophobicContact CB-CB 4.34Å; F396-F399 HydrophobicContact CB-CD2 4.15Å; F396-F399 HydrophobicContact CD1-CD2 4.29Å; F396-F399 WeakPolarHBondContact O-CB 3.35Å; F396-F399 PolarHBondContact O-N 3.46Å; F396-A400 PolarHBondContact O-N 2.89Å; F396-F407 HydrophobicContact CB-CE1 4.03Å; F396-F407 HydrophobicContact CB-CZ 4.03Å; F396-F407 HydrophobicContact CD2-CE1 4.33Å
397K96Very high95.1Very high94 Ų9444.2 Ų44.241%0.40924%0.24SC..Hα-helixtrans-51.6-48.9-176.2-168.9-158.4175.5-52.90112.7I392 F399 A400 D401I392-K397 VanDerWaalsContact O-CA 3.28Å; I392-K397 WeakPolarHBondContact O-CA 3.47Å; K397-F399 VanDerWaalsContact C-N 3.26Å; K397-F399 PolarHBondContact O-N 3.32Å; K397-A400 PolarHBondContact O-N 3.47Å; K397-A400 VanDerWaalsContact O-N 3.15Å; K397-D401 IonicContact NZ-OD1 3.93Å; K397-D401 PolarHBondContact NZ-OD1 2.63Å; K397-D401 IonicContact NZ-OD2 3.89Å; K397-D401 PolarHBondContact NZ-OD2 3.05Å; K397-D401 VanDerWaalsContact O-CG 3.25Å; K397-D401 PolarHBondContact O-N 2.68Å
398D96.6Very high95.2Very high26 Ų2645.7 Ų45.714%0.13925%0.249CC..Hα-helixtrans-64.5-31.8-178.4-74.3-18.2000112.3R352 R355 M356 F396 L402R352-D398 IonicContact CZ-OD1 3.84Å; R352-D398 IonicContact NH1-OD1 2.97Å; R352-D398 PolarHBondContact NH1-OD1 3.04Å; R352-D398 IonicContact NH1-OD2 3.52Å; R352-D398 IonicContact NH2-OD1 3.79Å; R352-D398 PolarHBondContact NH2-OD1 2.97Å; R355-D398 IonicContact CZ-OD2 3.15Å; R355-D398 IonicContact NE-OD2 2.81Å; R355-D398 PolarHBondContact NE-OD2 2.96Å; R355-D398 IonicContact NH2-OD1 2.7Å; R355-D398 IonicContact NH2-OD2 2.83Å; R355-D398 PolarHBondContact NH2-OD2 3.44Å; M356-D398 HydrophobicContact CE-CB 4.06Å; M356-D398 VanDerWaalsContact CE-O 3.24Å; M356-D398 WeakPolarHBondContact CE-O 3.46Å; M356-D398 HydrophobicContact CG-CB 3.74Å; M356-D398 HydrophobicContact SD-CB 3.62Å; F396-D398 VanDerWaalsContact C-N 3.32Å; F396-D398 PolarHBondContact O-N 3.04Å; D398-L402 PolarHBondContact O-N 3.44Å
399F97.6Very high95.3Very high4 Ų447.6 Ų47.62%0.01826%0.259CS..Hα-helixtrans-73.5-38.4173.6-68.2-82.1000112.2F338 M356 H371 I374 I375 F396 K397 D401 L402 W403 F407F338-F399 AromaticContact CE1-CE1 3.98Å; F338-F399 HydrophobicContact CE1-CE1 3.98Å; F338-F399 HydrophobicContact CZ-CD1 4.15Å; F338-F399 AromaticContact CZ-CE1 3.7Å; F338-F399 HydrophobicContact CZ-CE1 3.7Å; M356-F399 HydrophobicContact CB-CE1 4.14Å; M356-F399 HydrophobicContact CB-CE2 4.27Å; M356-F399 HydrophobicContact CB-CZ 3.84Å; M356-F399 HydrophobicContact CE-CB 4.23Å; M356-F399 HydrophobicContact CE-CD1 3.52Å; M356-F399 HydrophobicContact CE-CD2 4.3Å; M356-F399 HydrophobicContact CE-CE1 3.91Å; M356-F399 HydrophobicContact CE-CG 3.75Å; M356-F399 HydrophobicContact CE-CZ 4.45Å; M356-F399 HydrophobicContact CG-CE2 4.38Å; M356-F399 HydrophobicContact CG-CZ 4.38Å; M356-F399 VanDerWaalsContact O-CZ 3.28Å; M356-F399 WeakPolarHBondContact O-CZ 3.39Å; H371-F399 HydrophobicContact CB-CZ 3.98Å; H371-F399 AromaticContact CD2-CE2 3.55Å; H371-F399 AromaticContact CD2-CZ 3.77Å; H371-F399 AromaticContact CG-CE2 3.94Å; H371-F399 AromaticContact CG-CZ 3.67Å; H371-F399 AromaticContact NE2-CE2 3.71Å; I374-F399 HydrophobicContact CB-CD1 4.35Å; I374-F399 HydrophobicContact CD1-CD2 4.18Å; I374-F399 HydrophobicContact CD1-CE2 4.44Å; I374-F399 HydrophobicContact CD1-CG 4.38Å; I374-F399 HydrophobicContact CG2-CB 3.85Å; I374-F399 HydrophobicContact CG2-CD1 3.5Å; I374-F399 HydrophobicContact CG2-CE1 4.14Å; I374-F399 HydrophobicContact CG2-CG 3.73Å; I375-F399 HydrophobicContact CD1-CE1 4.18Å; I375-F399 HydrophobicContact CG1-CE1 3.9Å; F396-F399 HydrophobicContact CB-CB 4.34Å; F396-F399 HydrophobicContact CB-CD2 4.15Å; F396-F399 HydrophobicContact CD1-CD2 4.29Å; F396-F399 WeakPolarHBondContact O-CB 3.35Å; F396-F399 PolarHBondContact O-N 3.46Å; K397-F399 VanDerWaalsContact C-N 3.26Å; K397-F399 PolarHBondContact O-N 3.32Å; F399-D401 VanDerWaalsContact C-N 3.34Å; F399-L402 WeakPolarHBondContact O-CB 3.42Å; F399-L402 PolarHBondContact O-N 3.27Å; F399-W403 HydrophobicContact CD1-CZ3 4.39Å; F399-W403 PolarHBondContact O-N 2.77Å; F399-F407 HydrophobicContact CB-CE2 4.01Å; F399-F407 HydrophobicContact CB-CZ 3.8Å
400A96.7Very high95.4Very high6 Ų643.9 Ų43.95%0.0524%0.239CC..Hα-helixtrans-67.6-35.5175.700000111.8I392 F396 K397 L402 W403 P404 F407I392-A400 HydrophobicContact CB-CB 4.37Å; I392-A400 HydrophobicContact CG1-CB 4.49Å; I392-A400 HydrophobicContact CG2-CB 3.98Å; F396-A400 PolarHBondContact O-N 2.89Å; K397-A400 PolarHBondContact O-N 3.47Å; K397-A400 VanDerWaalsContact O-N 3.15Å; A400-L402 VanDerWaalsContact C-N 3.25Å; A400-L402 PolarHBondContact O-N 3.38Å; A400-W403 CarbonylContact O-C 3.53Å; A400-P404 WeakPolarHBondContact O-CA 3.36Å; A400-P404 WeakPolarHBondContact O-CD 3.36Å; A400-F407 HydrophobicContact CB-CD2 3.93Å; A400-F407 HydrophobicContact CB-CE2 3.99Å; A400-F407 HydrophobicContact CB-CG 4.42Å
401D96.6Very high95.7Very high62 Ų6241.7 Ų41.733%0.33223%0.229SC..Hα-helixtrans-63.7-31.7171.7-67.5-18.7000111.7W346 R352 K397 F399W346-D401 HydrophobicContact CH2-CB 4.19Å; W346-D401 HydrophobicContact CZ2-CB 4Å; R352-D401 IonicContact NH1-OD2 3.62Å; K397-D401 IonicContact NZ-OD1 3.93Å; K397-D401 PolarHBondContact NZ-OD1 2.63Å; K397-D401 IonicContact NZ-OD2 3.89Å; K397-D401 PolarHBondContact NZ-OD2 3.05Å; K397-D401 VanDerWaalsContact O-CG 3.25Å; K397-D401 PolarHBondContact O-N 2.68Å; F399-D401 VanDerWaalsContact C-N 3.34Å
402L96.6Very high95.9Very high19 Ų1943.1 Ų43.110%0.09924%0.236CC..Hα-helixtrans-77.5-46.7177.9-175.959.6000112.1F338 V341 I342 R345 W346 M356 D398 F399 A400F338-L402 HydrophobicContact CE2-CD2 3.65Å; F338-L402 HydrophobicContact CZ-CD2 4.08Å; V341-L402 HydrophobicContact CG1-CD1 4.4Å; V341-L402 HydrophobicContact CG1-CD2 4.42Å; I342-L402 HydrophobicContact CD1-CD2 3.71Å; R345-L402 HydrophobicContact CB-CD1 4.16Å; R345-L402 HydrophobicContact CG-CD1 3.88Å; W346-L402 HydrophobicContact CH2-CB 3.62Å; W346-L402 HydrophobicContact CH2-CD1 3.94Å; W346-L402 HydrophobicContact CH2-CG 4.34Å; W346-L402 HydrophobicContact CZ3-CB 3.96Å; W346-L402 HydrophobicContact CZ3-CD1 3.73Å; W346-L402 HydrophobicContact CZ3-CG 4.29Å; M356-L402 HydrophobicContact CE-CB 4.36Å; M356-L402 HydrophobicContact CE-CD2 4.18Å; D398-L402 PolarHBondContact O-N 3.44Å; F399-L402 WeakPolarHBondContact O-CB 3.42Å; F399-L402 PolarHBondContact O-N 3.27Å; A400-L402 VanDerWaalsContact C-N 3.25Å; A400-L402 PolarHBondContact O-N 3.38Å
403W96.4Very high96Very high69 Ų6941.8 Ų41.826%0.26123%0.234SC..  trans-132.370.9-174.8-61.2-52.3000111.7F338 I375 F399 A400 S405 K406F338-W403 AromaticContact CD2-CH2 3.95Å; F338-W403 HydrophobicContact CD2-CH2 3.95Å; F338-W403 AromaticContact CE2-CH2 3.37Å; F338-W403 HydrophobicContact CE2-CH2 3.37Å; F338-W403 HydrophobicContact CE2-CZ2 4.11Å; F338-W403 AromaticContact CE2-CZ3 3.93Å; F338-W403 HydrophobicContact CE2-CZ3 3.93Å; F338-W403 HydrophobicContact CZ-CH2 4.3Å; F338-W403 HydrophobicContact CZ-CZ3 4.45Å; I375-W403 HydrophobicContact CG1-CZ3 4.48Å; F399-W403 HydrophobicContact CD1-CZ3 4.39Å; F399-W403 PolarHBondContact O-N 2.77Å; A400-W403 CarbonylContact O-C 3.53Å; W403-S405 VanDerWaalsContact C-N 3.27Å; W403-S405 PolarHBondContact O-N 3.09Å; W403-K406 HydrophobicContact CB-CB 3.71Å; W403-K406 HydrophobicContact CB-CD 4.33Å; W403-K406 HydrophobicContact CE3-CD 4.05Å; W403-K406 VanDerWaalsContact O-CB 3.29Å; W403-K406 WeakPolarHBondContact O-CB 3.24Å; W403-K406 PolarHBondContact O-N 3.48Å
404P94.8Very high96.2Very high95 Ų9537.3 Ų37.362%0.61721%0.21SC*.G310 helixtrans-60.1-36.3-174.521.3-32.9000112.8A400 K406A400-P404 WeakPolarHBondContact O-CA 3.36Å; A400-P404 WeakPolarHBondContact O-CD 3.36Å; P404-K406 VanDerWaalsContact C-N 3.26Å; P404-K406 PolarHBondContact O-N 3.28Å
405S95.3Very high96.4Very high101 Ų10134.7 Ų34.771%0.70620%0.196SC*.G310 helixtrans-74-12178.461.90000114.5W403W403-S405 VanDerWaalsContact C-N 3.27Å; W403-S405 PolarHBondContact O-N 3.09Å
406K95.9Very high96.5Very high21 Ų2133.2 Ų33.29%0.09119%0.188CC..G310 helixtrans-74.6-30.8177.9179.4176.2-77.5-167.30111I374 S377 V380 W403 P404I374-K406 PolarHBondContact O-NZ 3.46Å; S377-K406 WeakPolarHBondContact O-CD 3.38Å; S377-K406 WeakPolarHBondContact O-CE 3.45Å; S377-K406 PolarHBondContact O-NZ 2.98Å; V380-K406 HydrophobicContact CB-CG 4.35Å; V380-K406 HydrophobicContact CG2-CD 4.05Å; V380-K406 HydrophobicContact CG2-CG 4Å; V380-K406 PolarHBondContact N-O 3.04Å; W403-K406 HydrophobicContact CB-CB 3.71Å; W403-K406 HydrophobicContact CB-CD 4.33Å; W403-K406 HydrophobicContact CE3-CD 4.05Å; W403-K406 VanDerWaalsContact O-CB 3.29Å; W403-K406 WeakPolarHBondContact O-CB 3.24Å; W403-K406 PolarHBondContact O-N 3.48Å; P404-K406 VanDerWaalsContact C-N 3.26Å; P404-K406 PolarHBondContact O-N 3.28Å
407F97.1Very high96.4Very high14 Ų1435.2 Ų35.26%0.06120%0.196CC..EExtended strand (participates in β ladder)trans-88.1122.8-177.7-70.1-96.4000111.3I374 V380 I392 F396 F399 A400I374-F407 HydrophobicContact CG2-CZ 4.09Å; V380-F407 HydrophobicContact CB-CD1 4.24Å; V380-F407 HydrophobicContact CB-CE1 4.26Å; V380-F407 HydrophobicContact CG1-CD1 4Å; V380-F407 HydrophobicContact CG1-CE1 3.85Å; V380-F407 CarbonylContact O-C 3.57Å; V380-F407 VanDerWaalsContact O-CA 3.28Å; V380-F407 WeakPolarHBondContact O-CA 3.26Å; I392-F407 HydrophobicContact CD1-CB 3.9Å; I392-F407 HydrophobicContact CG1-CB 3.76Å; I392-F407 HydrophobicContact CG1-CD1 4.2Å; I392-F407 HydrophobicContact CG1-CG 4.11Å; F396-F407 HydrophobicContact CB-CE1 4.03Å; F396-F407 HydrophobicContact CB-CZ 4.03Å; F396-F407 HydrophobicContact CD2-CE1 4.33Å; F399-F407 HydrophobicContact CB-CE2 4.01Å; F399-F407 HydrophobicContact CB-CZ 3.8Å; A400-F407 HydrophobicContact CB-CD2 3.93Å; A400-F407 HydrophobicContact CB-CE2 3.99Å; A400-F407 HydrophobicContact CB-CG 4.42Å
408T96.5Very high96.1Very high32 Ų3234 Ų3420%0.19619%0.188CC..EExtended strand (participates in β ladder)trans-133.4165.8177.771.80000111.6F379 V380 N381 G382 T388F379-T408 HydrophobicContact CD1-CG2 4.17Å; F379-T408 HydrophobicContact CE1-CG2 4.42Å; V380-T408 PolarHBondContact O-N 3.05Å; N381-T408 WeakPolarHBondContact CA-O 3.44Å; N381-T408 WeakPolarHBondContact CB-O 3.38Å; N381-T408 WeakPolarHBondContact CB-OG1 3.27Å; G382-T408 PolarHBondContact N-O 2.99Å; G382-T408 VanDerWaalsContact N-O 3.16Å; T388-T408 WeakPolarHBondContact CG2-O 3.46Å
409N97Very high96.1Very high47 Ų4733.9 Ų33.925%0.25119%0.186SC..EExtended strand (participates in β ladder)trans-103.3141.9170.1175.353.7000110.4S384 I385 T388 T411S384-N409 PolarHBondContact O-OD1 3.41Å; I385-N409 WeakPolarHBondContact CG1-ND2 3.24Å; I385-N409 PolarHBondContact N-OD1 2.98Å; T388-N409 HydrophobicContact CG2-CB 3.99Å; T388-N409 PolarHBondContact OG1-OD1 2.81Å; T388-N409 VanDerWaalsContact OG1-OD1 3.13Å; N409-T411 PolarHBondContact ND2-OG1 2.86Å
410K97.5Very high95.9Very high7 Ų733.7 Ų33.73%0.0319%0.185CC..  trans-137.985.5164.8-65.8-68.9171.4-70.70109.3N381 G382 N412 E748 Y749 D752 I753N381-K410 HydrophobicContact CB-CG 4.33Å; G382-K410 PolarHBondContact O-N 3Å; G382-K410 VanDerWaalsContact O-N 3.07Å; K410-N412 PolarHBondContact O-N 2.86Å; K410-E748 HydrophobicContact CD-CB 3.62Å; K410-E748 VanDerWaalsContact CE-C 3.4Å; K410-E748 VanDerWaalsContact CE-O 3.24Å; K410-E748 WeakPolarHBondContact CE-O 3.43Å; K410-Y749 HydrophobicContact CB-CD2 4.08Å; K410-Y749 HydrophobicContact CB-CE1 4.09Å; K410-Y749 HydrophobicContact CB-CE2 3.4Å; K410-Y749 VanDerWaalsContact CB-CZ 3.41Å; K410-Y749 HydrophobicContact CD-CD2 4.15Å; K410-Y749 HydrophobicContact CD-CE2 4.33Å; K410-Y749 HydrophobicContact CD-CG 4.26Å; K410-Y749 HydrophobicContact CG-CD1 4.08Å; K410-Y749 HydrophobicContact CG-CD2 4.04Å; K410-Y749 HydrophobicContact CG-CE1 3.81Å; K410-Y749 HydrophobicContact CG-CE2 3.78Å; K410-Y749 HydrophobicContact CG-CG 4.18Å; K410-D752 IonicContact NZ-OD2 3.44Å; K410-D752 PolarHBondContact NZ-OD2 3.17Å; K410-I753 HydrophobicContact CD-CD1 4.25Å; K410-I753 HydrophobicContact CG-CD1 3.71Å
411T97.6Very high95.7Very high5 Ų535.1 Ų35.13%0.03119%0.192CC..  trans-52129.1178.3-57.20000110.2V383 N409 E627 R744 T745V383-T411 WeakPolarHBondContact O-CA 3.45Å; N409-T411 PolarHBondContact ND2-OG1 2.86Å; T411-E627 WeakPolarHBondContact CB-OE1 3.48Å; T411-E627 WeakPolarHBondContact CG2-OE1 3.3Å; T411-E627 VanDerWaalsContact CG2-OE2 3.23Å; T411-E627 WeakPolarHBondContact CG2-OE2 3.48Å; T411-E627 PolarHBondContact OG1-OE1 2.74Å; T411-E627 PolarHBondContact OG1-OE2 2.83Å; T411-R744 PolarHBondContact O-NH1 3.05Å; T411-R744 PolarHBondContact O-NH2 3.14Å; T411-T745 WeakPolarHBondContact O-CG2 3.3Å; T411-T745 PolarHBondContact O-OG1 2.91Å
412N97.9Very high95.3Very high31 Ų3134.6 Ų34.617%0.16619%0.191CC..  trans-55.2164.9178.1-81.1-23.2000113V383 K410 S603 T605 M608 R744V383-N412 PolarHBondContact O-N 3.19Å; K410-N412 PolarHBondContact O-N 2.86Å; N412-S603 PolarHBondContact ND2-OG 3.25Å; N412-T605 HydrophobicContact CB-CG2 3.92Å; N412-M608 HydrophobicContact CB-CE 4.07Å; N412-M608 WeakPolarHBondContact O-CE 3.36Å; N412-R744 PolarHBondContact O-NH2 3.43Å; N412-R744 VanDerWaalsContact O-NH2 3.08Å
413G97.6Very high95.1Very high19 Ų1934.1 Ų34.120%0.19619%0.189CC..  trans-154.5168176.400000111.8F740 T745G413-F740 CarbonylContact C-O 3.49Å; G413-F740 WeakPolarHBondContact CA-O 3.37Å; G413-T745 PolarHBondContact N-OG1 3.35Å
414I97.8Very high95.1Very high7 Ų731 Ų314%0.03618%0.177CC..BIsolated β-bridgetrans-122.1149.2-179.360.5166.9000111.1P416 W419 M608 K609 L612 F740 S741 S742I414-P416 WeakPolarHBondContact O-CD 3.49Å; I414-W419 HydrophobicContact CD1-CB 4.04Å; I414-W419 HydrophobicContact CD1-CG 4.46Å; I414-M608 VanDerWaalsContact CD1-C 3.5Å; I414-M608 HydrophobicContact CD1-CB 3.91Å; I414-M608 WeakPolarHBondContact CD1-O 3.3Å; I414-M608 HydrophobicContact CG1-CB 4.11Å; I414-M608 HydrophobicContact CG2-CB 4.12Å; I414-M608 HydrophobicContact CG2-SD 4.33Å; I414-K609 HydrophobicContact CB-CG 4.46Å; I414-K609 VanDerWaalsContact CD1-CA 3.48Å; I414-K609 HydrophobicContact CD1-CB 4.1Å; I414-K609 HydrophobicContact CD1-CG 3.66Å; I414-K609 HydrophobicContact CG2-CG 3.97Å; I414-L612 HydrophobicContact CD1-CB 4.36Å; I414-L612 HydrophobicContact CD1-CD2 3.93Å; I414-F740 WeakPolarHBondContact CG1-O 3.37Å; I414-F740 PolarHBondContact N-O 3.42Å; I414-S741 WeakPolarHBondContact O-CA 3.44Å; I414-S742 PolarHBondContact O-N 3.4Å; I414-S742 PolarHBondContact O-OG 2.97Å
415S95.9Very high95.1Very high35 Ų3528.8 Ų28.825%0.24516%0.163CC..  trans-76.1112.5176.9173.70000110.5R417 R418 W419 S742S415-R417 PolarHBondContact O-N 3.1Å; S415-R417 VanDerWaalsContact O-N 3.13Å; S415-R417 VanDerWaalsContact OG-CZ 3.3Å; S415-R417 PolarHBondContact OG-NE 3.16Å; S415-R417 PolarHBondContact OG-NH2 2.91Å; S415-R417 VanDerWaalsContact OG-NH2 3.12Å; S415-R418 PolarHBondContact O-N 2.9Å; S415-W419 PolarHBondContact O-N 3.31Å; S415-S742 WeakPolarHBondContact CA-OG 3.42Å; S415-S742 PolarHBondContact N-OG 2.9Å
416P94Very high95.1Very high0 Ų025.3 Ų25.30%014%0.143CC..Hα-helixtrans-62.4-18.5175.724.5-36.2000112.9I414 L420 L421 L444 L612I414-P416 WeakPolarHBondContact O-CD 3.49Å; P416-L420 WeakPolarHBondContact O-CB 3.49Å; P416-L420 PolarHBondContact O-N 3.09Å; P416-L421 PolarHBondContact O-N 2.95Å; P416-L444 HydrophobicContact CB-CD1 3.67Å; P416-L444 HydrophobicContact CB-CD2 4.16Å; P416-L444 HydrophobicContact CG-CD1 4.08Å; P416-L444 HydrophobicContact CG-CD2 4.32Å; P416-L612 HydrophobicContact CB-CD2 4.37Å
417R92.7Very high95.2Very high46 Ų4624.6 Ų24.617%0.17414%0.14CC..Iπ-helixtrans-62.9-49.8175.7-70.16652.9169.210.7110.9Y167 S415 L421 V422 V441 S742 D743Y167-R417 HydrophobicContact CD1-CG 4.45Å; Y167-R417 HydrophobicContact CD2-CG 3.53Å; Y167-R417 HydrophobicContact CE2-CG 4.22Å; Y167-R417 HydrophobicContact CG-CG 3.66Å; S415-R417 PolarHBondContact O-N 3.1Å; S415-R417 VanDerWaalsContact O-N 3.13Å; S415-R417 VanDerWaalsContact OG-CZ 3.3Å; S415-R417 PolarHBondContact OG-NE 3.16Å; S415-R417 PolarHBondContact OG-NH2 2.91Å; S415-R417 VanDerWaalsContact OG-NH2 3.12Å; R417-L421 WeakPolarHBondContact O-CB 3.46Å; R417-V422 VanDerWaalsContact O-CG2 3.27Å; R417-V422 WeakPolarHBondContact O-CG2 3.45Å; R417-V422 PolarHBondContact O-N 2.78Å; R417-V441 HydrophobicContact CG-CG1 4.12Å; R417-V441 PolarHBondContact NH1-O 3.24Å; R417-S742 PolarHBondContact NH2-OG 3.42Å; R417-D743 IonicContact CZ-OD1 2.83Å; R417-D743 VanDerWaalsContact CZ-OD1 3.24Å; R417-D743 IonicContact CZ-OD2 3.43Å; R417-D743 IonicContact NH1-OD1 2.79Å; R417-D743 PolarHBondContact NH1-OD1 2.83Å; R417-D743 IonicContact NH1-OD2 2.73Å; R417-D743 PolarHBondContact NH1-OD2 2.96Å; R417-D743 IonicContact NH2-OD1 3.31Å; R417-D743 PolarHBondContact NH2-OD1 3.37Å; R417-D743 IonicContact NH2-OD2 3.73Å
418R90.1Very high95.1Very high68 Ų6823.9 Ų23.926%0.25714%0.137SC..Iπ-helixtrans-79.6-46.2178.3-172.7173.3-66.9-84.25.3111.2M85 R87 S415 L420 C423 E583M85-R418 PolarHBondContact O-NH2 2.92Å; R87-R418 PolarHBondContact O-NH1 3.21Å; S415-R418 PolarHBondContact O-N 2.9Å; R418-L420 PolarHBondContact O-N 2.82Å; R418-C423 PolarHBondContact O-N 3.32Å; R418-C423 PolarHBondContact O-SG 3Å; R418-E583 WeakPolarHBondContact CD-OE1 3.36Å; R418-E583 WeakPolarHBondContact CG-OE1 3.28Å; R418-E583 IonicContact CZ-OE1 3.02Å; R418-E583 IonicContact NH1-OE1 3.9Å; R418-E583 PolarHBondContact NH1-OE1 3.1Å
419W96.4Very high95.1Very high23 Ų2326.5 Ų26.59%0.08715%0.15CC..Iπ-helixtrans-91.711.4-167.7-59.5114.1000114.9I414 S415 C423 V579 A582 E583 I586 K609 N613I414-W419 HydrophobicContact CD1-CB 4.04Å; I414-W419 HydrophobicContact CD1-CG 4.46Å; S415-W419 PolarHBondContact O-N 3.31Å; W419-C423 PolarHBondContact O-SG 3.48Å; W419-C423 VanDerWaalsContact O-SG 3.38Å; W419-V579 HydrophobicContact CH2-CG1 4.07Å; W419-V579 HydrophobicContact CZ2-CG1 4.39Å; W419-A582 HydrophobicContact CH2-CB 3.87Å; W419-A582 HydrophobicContact CZ3-CB 3.86Å; W419-E583 HydrophobicContact CZ3-CG 4.17Å; W419-I586 HydrophobicContact CE3-CD1 4.02Å; W419-I586 HydrophobicContact CZ3-CD1 3.72Å; W419-K609 HydrophobicContact CB-CG 4.29Å; W419-K609 HydrophobicContact CD2-CD 3.67Å; W419-K609 HydrophobicContact CD2-CG 3.83Å; W419-K609 VanDerWaalsContact CE2-CE 3.46Å; W419-K609 HydrophobicContact CE3-CD 3.84Å; W419-K609 HydrophobicContact CE3-CG 4.17Å; W419-K609 HydrophobicContact CG-CD 4.23Å; W419-K609 HydrophobicContact CG-CG 3.88Å; W419-K609 HydrophobicContact CH2-CD 4.12Å; W419-K609 HydrophobicContact CZ2-CD 3.95Å; W419-K609 HydrophobicContact CZ3-CD 4.07Å; W419-N613 PolarHBondContact O-ND2 2.92Å
420L94.4Very high95Very high0 Ų024.4 Ų24.40%014%0.139CC..Iπ-helixtrans-145.7-60166.8178.252.1000110.7P416 R418 V422 N424 L427 T428 I431 W440 L612P416-L420 WeakPolarHBondContact O-CB 3.49Å; P416-L420 PolarHBondContact O-N 3.09Å; R418-L420 PolarHBondContact O-N 2.82Å; L420-V422 PolarHBondContact O-N 3.28Å; L420-N424 HydrophobicContact CD1-CB 4.22Å; L420-N424 CarbonylContact O-C 3.55Å; L420-N424 WeakPolarHBondContact O-CA 3.35Å; L420-N424 PolarHBondContact O-N 2.96Å; L420-L427 HydrophobicContact CD1-CB 4.16Å; L420-L427 HydrophobicContact CD1-CD2 3.64Å; L420-L427 HydrophobicContact CD1-CG 3.88Å; L420-T428 PolarHBondContact O-OG1 3.22Å; L420-I431 HydrophobicContact CD2-CD1 4Å; L420-W440 HydrophobicContact CD2-CE3 4.5Å; L420-W440 HydrophobicContact CD2-CH2 3.84Å; L420-W440 HydrophobicContact CD2-CZ3 3.47Å; L420-W440 VanDerWaalsContact CD2-CZ3 3.47Å; L420-W440 HydrophobicContact CG-CH2 4.11Å; L420-W440 HydrophobicContact CG-CZ3 4.15Å; L420-L612 HydrophobicContact CB-CD2 3.9Å; L420-L612 HydrophobicContact CB-CG 4.16Å; L420-L612 HydrophobicContact CD2-CD1 3.79Å; L420-L612 HydrophobicContact CD2-CD2 4.38Å; L420-L612 HydrophobicContact CD2-CG 4.03Å
421L91.6Very high95Very high36 Ų3624.1 Ų24.119%0.18814%0.138CC..Iπ-helixtrans-61.1-44.1-175.4175.465000113.1Y167 P416 R417 T428 V441Y167-L421 HydrophobicContact CD2-CD2 4.41Å; Y167-L421 HydrophobicContact CE2-CD2 3.45Å; Y167-L421 VanDerWaalsContact CE2-CD2 3.45Å; P416-L421 PolarHBondContact O-N 2.95Å; R417-L421 WeakPolarHBondContact O-CB 3.46Å; L421-T428 WeakPolarHBondContact CA-OG1 3.33Å; L421-T428 HydrophobicContact CD1-CG2 3.52Å; L421-V441 HydrophobicContact CD2-CG1 4.43Å
422V88Confident94.8Very high52 Ų5227 Ų2732%0.31515%0.148SC..Iπ-helixtrans-80.4-45.7179.9170.20000112.1K90 R417 L420K90-V422 HydrophobicContact CD-CG1 4.18Å; K90-V422 PolarHBondContact NZ-O 3Å; R417-V422 VanDerWaalsContact O-CG2 3.27Å; R417-V422 WeakPolarHBondContact O-CG2 3.45Å; R417-V422 PolarHBondContact O-N 2.78Å; L420-V422 PolarHBondContact O-N 3.28Å
423C92.6Very high94.6Very high9 Ų928.5 Ų28.56%0.06116%0.16CC..THydrogen-bonded Turntrans-83-26.8-17264.90000113.9R418 W419 E583 P587R418-C423 PolarHBondContact O-N 3.32Å; R418-C423 PolarHBondContact O-SG 3Å; W419-C423 PolarHBondContact O-SG 3.48Å; W419-C423 VanDerWaalsContact O-SG 3.38Å; C423-E583 HydrophobicContact CB-CB 4.1Å; C423-E583 HydrophobicContact CB-CG 4.31Å; C423-E583 WeakPolarHBondContact CB-O 3.5Å; C423-P587 HydrophobicContact CB-CG 3.97Å; C423-P587 WeakPolarHBondContact O-CG 3.47Å
424N97.1Very high94.4Very high2 Ų229.5 Ų29.51%0.01116%0.163CC..  trans-134.569.1-172.4-163.7-7.1000112.1L420 G426 L427 T428 N470 P587 N613L420-N424 HydrophobicContact CD1-CB 4.22Å; L420-N424 CarbonylContact O-C 3.55Å; L420-N424 WeakPolarHBondContact O-CA 3.35Å; L420-N424 PolarHBondContact O-N 2.96Å; N424-G426 VanDerWaalsContact C-N 3.32Å; N424-G426 PolarHBondContact O-N 3.27Å; N424-L427 HydrophobicContact CB-CB 4.3Å; N424-L427 VanDerWaalsContact CG-CB 3.42Å; N424-L427 WeakPolarHBondContact ND2-CB 3.46Å; N424-L427 PolarHBondContact O-N 3.05Å; N424-L427 WeakPolarHBondContact OD1-CB 3.08Å; N424-L427 PolarHBondContact OD1-N 3.38Å; N424-T428 PolarHBondContact O-N 3.07Å; N424-T428 PolarHBondContact O-OG1 3.07Å; N424-N470 PolarHBondContact ND2-ND2 2.92Å; N424-N470 PolarHBondContact OD1-ND2 3.47Å; N424-P587 HydrophobicContact CB-CB 4.15Å; N424-P587 HydrophobicContact CB-CG 4.15Å; N424-N613 VanDerWaalsContact CB-OD1 3.24Å; N424-N613 WeakPolarHBondContact CB-OD1 3.37Å; N424-N613 PolarHBondContact ND2-OD1 3.25Å
425P93.7Very high94Very high50 Ų5030.6 Ų30.633%0.32517%0.168SC..Hα-helixtrans-61.1-37.3-178.623.6-33.8000112.8L427 T428 D429P425-L427 PolarHBondContact O-N 3.07Å; P425-T428 VanDerWaalsContact O-CB 3.32Å; P425-T428 WeakPolarHBondContact O-CB 3.45Å; P425-T428 PolarHBondContact O-N 3.06Å; P425-T428 VanDerWaalsContact O-N 3.15Å; P425-D429 PolarHBondContact O-N 3.11Å
426G96.5Very high93.8Very high28 Ų2837.4 Ų37.429%0.28920%0.196SC..Hα-helixtrans-60.5-43.1177.700000112.9N424 D429 L430N424-G426 VanDerWaalsContact C-N 3.32Å; N424-G426 PolarHBondContact O-N 3.27Å; G426-D429 PolarHBondContact O-N 3.18Å; G426-L430 PolarHBondContact O-N 3.35Å; G426-L430 VanDerWaalsContact O-N 3.12Å
427L97.5Very high93.5Very high5 Ų539 Ų393%0.02621%0.208CC..Hα-helixtrans-68.9-38.2175.1-178.755.8000111.4L420 N424 P425 D429 L430 I431 L463 V466 I734L420-L427 HydrophobicContact CD1-CB 4.16Å; L420-L427 HydrophobicContact CD1-CD2 3.64Å; L420-L427 HydrophobicContact CD1-CG 3.88Å; N424-L427 HydrophobicContact CB-CB 4.3Å; N424-L427 VanDerWaalsContact CG-CB 3.42Å; N424-L427 WeakPolarHBondContact ND2-CB 3.46Å; N424-L427 PolarHBondContact O-N 3.05Å; N424-L427 WeakPolarHBondContact OD1-CB 3.08Å; N424-L427 PolarHBondContact OD1-N 3.38Å; P425-L427 PolarHBondContact O-N 3.07Å; L427-D429 VanDerWaalsContact C-N 3.33Å; L427-D429 PolarHBondContact O-N 3.34Å; L427-L430 HydrophobicContact CD1-CD2 4.49Å; L427-L430 PolarHBondContact O-N 3.45Å; L427-I431 HydrophobicContact CD1-CD1 4.13Å; L427-I431 HydrophobicContact CD1-CG1 4.22Å; L427-I431 HydrophobicContact CG-CD1 3.92Å; L427-I431 HydrophobicContact CG-CG1 4.45Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.27Å; L427-I431 PolarHBondContact O-N 3.12Å; L427-L463 HydrophobicContact CD1-CD1 3.58Å; L427-V466 HydrophobicContact CB-CG1 3.94Å; L427-I734 HydrophobicContact CD1-CD1 4.16Å; L427-I734 HydrophobicContact CD2-CD1 4.04Å
428T95.5Very high93.2Very high0 Ų038.6 Ų38.60%021%0.209CC..Hα-helixtrans-58-47175.9-58.50000111L420 L421 N424 P425 I431 R432 W440L420-T428 PolarHBondContact O-OG1 3.22Å; L421-T428 WeakPolarHBondContact CA-OG1 3.33Å; L421-T428 HydrophobicContact CD1-CG2 3.52Å; N424-T428 PolarHBondContact O-N 3.07Å; N424-T428 PolarHBondContact O-OG1 3.07Å; P425-T428 VanDerWaalsContact O-CB 3.32Å; P425-T428 WeakPolarHBondContact O-CB 3.45Å; P425-T428 PolarHBondContact O-N 3.06Å; P425-T428 VanDerWaalsContact O-N 3.15Å; T428-I431 PolarHBondContact O-N 3.07Å; T428-R432 WeakPolarHBondContact O-CB 3.47Å; T428-R432 VanDerWaalsContact O-CG 3.31Å; T428-R432 WeakPolarHBondContact O-CG 3.42Å; T428-R432 PolarHBondContact O-N 2.93Å; T428-W440 HydrophobicContact CG2-CH2 4.01Å; T428-W440 HydrophobicContact CG2-CZ2 3.84Å
429D95.3Very high93.2Very high86 Ų8640.1 Ų40.146%0.4622%0.222SC..Hα-helixtrans-68.8-35.5-178.8-65.6-22.6000111.7P425 G426 L427 R432 S433P425-D429 PolarHBondContact O-N 3.11Å; G426-D429 PolarHBondContact O-N 3.18Å; L427-D429 VanDerWaalsContact C-N 3.33Å; L427-D429 PolarHBondContact O-N 3.34Å; D429-R432 PolarHBondContact O-N 3.07Å; D429-R432 IonicContact OD1-NH1 3.69Å; D429-R432 PolarHBondContact OD1-NH1 3.21Å; D429-S433 WeakPolarHBondContact O-CB 3.38Å; D429-S433 PolarHBondContact O-N 2.92Å; D429-S433 PolarHBondContact O-OG 3.22Å
430L96.4Very high93.1Very high4 Ų439 Ų392%0.02122%0.218CC..Hα-helixtrans-61.1-47.4171.7-178.260.2000111.7G426 L427 S433 T434 F459 R462 L463G426-L430 PolarHBondContact O-N 3.35Å; G426-L430 VanDerWaalsContact O-N 3.12Å; L427-L430 HydrophobicContact CD1-CD2 4.49Å; L427-L430 PolarHBondContact O-N 3.45Å; L430-S433 PolarHBondContact O-N 3.36Å; L430-S433 PolarHBondContact O-OG 3.13Å; L430-T434 PolarHBondContact O-N 3.12Å; L430-T434 PolarHBondContact O-OG1 3.11Å; L430-F459 HydrophobicContact CD1-CD2 4.04Å; L430-F459 HydrophobicContact CD1-CE2 3.72Å; L430-F459 HydrophobicContact CD1-CZ 4.48Å; L430-F459 HydrophobicContact CD2-CE2 4.13Å; L430-F459 HydrophobicContact CD2-CZ 4.08Å; L430-F459 HydrophobicContact CG-CD2 4.48Å; L430-F459 HydrophobicContact CG-CE2 3.71Å; L430-F459 HydrophobicContact CG-CZ 4.04Å; L430-R462 HydrophobicContact CD1-CB 4.01Å; L430-R462 VanDerWaalsContact CD1-CZ 3.48Å; L430-R462 HydrophobicContact CD2-CB 4.43Å; L430-L463 HydrophobicContact CD2-CB 3.92Å; L430-L463 HydrophobicContact CD2-CD1 4.14Å
431I95.8Very high92.9Very high1 Ų139 Ų391%0.00522%0.218CC..Hα-helixtrans-62-47.8177.1-67.3169.1000110.3L420 L427 T428 S433 T434 M435 W440 L447 L450 I734L420-I431 HydrophobicContact CD2-CD1 4Å; L427-I431 HydrophobicContact CD1-CD1 4.13Å; L427-I431 HydrophobicContact CD1-CG1 4.22Å; L427-I431 HydrophobicContact CG-CD1 3.92Å; L427-I431 HydrophobicContact CG-CG1 4.45Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.27Å; L427-I431 PolarHBondContact O-N 3.12Å; T428-I431 PolarHBondContact O-N 3.07Å; I431-S433 PolarHBondContact O-N 3.07Å; I431-T434 WeakPolarHBondContact O-CB 3.33Å; I431-T434 PolarHBondContact O-N 3.28Å; I431-M435 HydrophobicContact CG2-CG 4.03Å; I431-M435 HydrophobicContact CG2-SD 3.45Å; I431-M435 WeakPolarHBondContact CG2-SD 3.18Å; I431-M435 WeakPolarHBondContact O-CG 3.34Å; I431-M435 PolarHBondContact O-N 2.91Å; I431-W440 HydrophobicContact CB-CZ2 4.3Å; I431-W440 HydrophobicContact CG2-CD2 3.91Å; I431-W440 HydrophobicContact CG2-CG 4.22Å; I431-W440 HydrophobicContact CG2-CZ2 3.93Å; I431-L447 HydrophobicContact CD1-CD2 4.11Å; I431-L447 HydrophobicContact CG2-CD2 3.91Å; I431-L450 HydrophobicContact CD1-CD1 4.49Å; I431-L450 HydrophobicContact CG1-CD1 4.15Å; I431-I734 HydrophobicContact CD1-CG2 4.48Å
432R94Very high92.8Very high66 Ų6642 Ų4225%0.24923%0.229CC..Hα-helixtrans-56.1-47.1176.5-77.8171.2171155.4-4112.6T428 D429 T434 M435 Q436 D438 W440T428-R432 WeakPolarHBondContact O-CB 3.47Å; T428-R432 VanDerWaalsContact O-CG 3.31Å; T428-R432 WeakPolarHBondContact O-CG 3.42Å; T428-R432 PolarHBondContact O-N 2.93Å; D429-R432 PolarHBondContact O-N 3.07Å; D429-R432 IonicContact OD1-NH1 3.69Å; D429-R432 PolarHBondContact OD1-NH1 3.21Å; R432-T434 PolarHBondContact O-N 3.44Å; R432-M435 PolarHBondContact O-N 3.19Å; R432-Q436 WeakPolarHBondContact O-CA 3.33Å; R432-Q436 PolarHBondContact O-N 2.98Å; R432-D438 WeakPolarHBondContact CG-OD1 3.37Å; R432-D438 IonicContact CZ-OD1 3.81Å; R432-D438 IonicContact NE-OD1 3.71Å; R432-D438 PolarHBondContact NE-OD1 3.08Å; R432-D438 IonicContact NE-OD2 3.27Å; R432-D438 IonicContact NH2-OD1 2.74Å; R432-D438 PolarHBondContact NH2-OD1 3.05Å; R432-D438 IonicContact NH2-OD2 3.8Å; R432-W440 HydrophobicContact CG-CZ2 4.45Å
433S92.9Very high93.1Very high61 Ų6142.9 Ų42.943%0.42723%0.232SC..Hα-helixtrans-61.9-24.9178.972.20000112.7D429 L430 I431 R462D429-S433 WeakPolarHBondContact O-CB 3.38Å; D429-S433 PolarHBondContact O-N 2.92Å; D429-S433 PolarHBondContact O-OG 3.22Å; L430-S433 PolarHBondContact O-N 3.36Å; L430-S433 PolarHBondContact O-OG 3.13Å; I431-S433 PolarHBondContact O-N 3.07Å; S433-R462 PolarHBondContact OG-NH2 2.83Å
434T93.2Very high93.3Very high40 Ų4042.6 Ų42.625%0.24523%0.23CC..Hα-helixtrans-89.9-43.4-179.2-55.70000112.3L430 I431 R432 L450 K453 F459L430-T434 PolarHBondContact O-N 3.12Å; L430-T434 PolarHBondContact O-OG1 3.11Å; I431-T434 WeakPolarHBondContact O-CB 3.33Å; I431-T434 PolarHBondContact O-N 3.28Å; R432-T434 PolarHBondContact O-N 3.44Å; T434-L450 HydrophobicContact CG2-CD2 4Å; T434-K453 HydrophobicContact CG2-CG 4Å; T434-F459 HydrophobicContact CG2-CE2 4.24Å; T434-F459 WeakPolarHBondContact OG1-CE2 3.49Å
435M90.7Very high93.3Very high30 Ų3046.4 Ų46.415%0.14825%0.25CC..Hα-helixtrans-85.3-18-176.4-59.4-173.892.200113.2I431 R432 S437 W440 M446 L447I431-M435 HydrophobicContact CG2-CG 4.03Å; I431-M435 HydrophobicContact CG2-SD 3.45Å; I431-M435 WeakPolarHBondContact CG2-SD 3.18Å; I431-M435 WeakPolarHBondContact O-CG 3.34Å; I431-M435 PolarHBondContact O-N 2.91Å; R432-M435 PolarHBondContact O-N 3.19Å; M435-S437 PolarHBondContact O-N 2.87Å; M435-S437 VanDerWaalsContact O-N 3.11Å; M435-W440 HydrophobicContact CE-CB 3.9Å; M435-W440 HydrophobicContact CE-CG 4.48Å; M435-W440 HydrophobicContact SD-CB 3.68Å; M435-W440 VanDerWaalsContact SD-CD1 3.52Å; M435-W440 HydrophobicContact SD-CD2 4.48Å; M435-W440 HydrophobicContact SD-CG 3.62Å; M435-M446 VanDerWaalsContact CE-C 3.48Å; M435-M446 HydrophobicContact CE-CB 3.58Å; M435-M446 HydrophobicContact CE-CE 4.42Å; M435-M446 WeakPolarHBondContact CE-O 3.28Å; M435-L447 HydrophobicContact SD-CD2 4.2Å
436Q90.9Very high93.4Very high178 Ų17846.2 Ų46.283%0.83225%0.245SC*.SBendtrans54.126.3-176.2-55.4178.916.600113.6R432R432-Q436 WeakPolarHBondContact O-CA 3.33Å; R432-Q436 PolarHBondContact O-N 2.98Å
437S88.7Confident93.4Very high35 Ų3544.9 Ų44.925%0.24523%0.231CC..SBendtrans-155.8157.7178.1173.10000110.6M435 D439 W440M435-S437 PolarHBondContact O-N 2.87Å; M435-S437 VanDerWaalsContact O-N 3.11Å; S437-D439 WeakPolarHBondContact OG-CB 3.18Å; S437-D439 PolarHBondContact OG-N 3.16Å; S437-D439 PolarHBondContact OG-OD2 3.07Å; S437-W440 PolarHBondContact O-NE1 3.39Å
438D85.5Confident93.3Very high37 Ų3747.4 Ų47.420%0.19825%0.245CC..SBendtrans-96.90.5170.7-89.2-21.3000113R168 R432 W440 V441R168-D438 IonicContact CZ-OD2 2.81Å; R168-D438 IonicContact NH1-OD2 2.81Å; R168-D438 PolarHBondContact NH1-OD2 2.95Å; R168-D438 IonicContact NH2-OD2 3.19Å; R168-D438 PolarHBondContact NH2-OD2 2.78Å; R432-D438 WeakPolarHBondContact CG-OD1 3.37Å; R432-D438 IonicContact CZ-OD1 3.81Å; R432-D438 IonicContact NE-OD1 3.71Å; R432-D438 PolarHBondContact NE-OD1 3.08Å; R432-D438 IonicContact NE-OD2 3.27Å; R432-D438 IonicContact NH2-OD1 2.74Å; R432-D438 PolarHBondContact NH2-OD1 3.05Å; R432-D438 IonicContact NH2-OD2 3.8Å; D438-W440 PolarHBondContact O-N 2.76Å; D438-V441 WeakPolarHBondContact O-CB 3.23Å; D438-V441 WeakPolarHBondContact O-CG2 3.09Å; D438-V441 PolarHBondContact O-N 3.24Å
439D90.8Very high93.3Very high99 Ų9954.3 Ų54.353%0.52927%0.271SS..G310 helixtrans-61.8-27.9-174.8-66.1-35.9000113.1S437 V441 K442 N443 M446S437-D439 WeakPolarHBondContact OG-CB 3.18Å; S437-D439 PolarHBondContact OG-N 3.16Å; S437-D439 PolarHBondContact OG-OD2 3.07Å; D439-V441 PolarHBondContact O-N 3.07Å; D439-V441 VanDerWaalsContact O-N 3.11Å; D439-K442 PolarHBondContact O-N 3.3Å; D439-N443 PolarHBondContact O-N 3.4Å; D439-M446 HydrophobicContact CB-CE 4.13Å; D439-M446 HydrophobicContact CB-SD 3.95Å
440W93.3Very high93.4Very high0 Ų050.3 Ų50.30%025%0.249CC..G310 helixtrans-59.1-23.4175.866.1-95.4000112.8L420 T428 I431 R432 M435 S437 D438 K442 N443 L444 M446 L447L420-W440 HydrophobicContact CD2-CE3 4.5Å; L420-W440 HydrophobicContact CD2-CH2 3.84Å; L420-W440 HydrophobicContact CD2-CZ3 3.47Å; L420-W440 VanDerWaalsContact CD2-CZ3 3.47Å; L420-W440 HydrophobicContact CG-CH2 4.11Å; L420-W440 HydrophobicContact CG-CZ3 4.15Å; T428-W440 HydrophobicContact CG2-CH2 4.01Å; T428-W440 HydrophobicContact CG2-CZ2 3.84Å; I431-W440 HydrophobicContact CB-CZ2 4.3Å; I431-W440 HydrophobicContact CG2-CD2 3.91Å; I431-W440 HydrophobicContact CG2-CG 4.22Å; I431-W440 HydrophobicContact CG2-CZ2 3.93Å; R432-W440 HydrophobicContact CG-CZ2 4.45Å; M435-W440 HydrophobicContact CE-CB 3.9Å; M435-W440 HydrophobicContact CE-CG 4.48Å; M435-W440 HydrophobicContact SD-CB 3.68Å; M435-W440 VanDerWaalsContact SD-CD1 3.52Å; M435-W440 HydrophobicContact SD-CD2 4.48Å; M435-W440 HydrophobicContact SD-CG 3.62Å; S437-W440 PolarHBondContact O-NE1 3.39Å; D438-W440 PolarHBondContact O-N 2.76Å; W440-K442 VanDerWaalsContact C-N 3.28Å; W440-K442 PolarHBondContact O-N 2.87Å; W440-N443 WeakPolarHBondContact CA-O 3.47Å; W440-N443 CarbonylContact O-C 3.52Å; W440-N443 PolarHBondContact O-N 3.32Å; W440-L444 HydrophobicContact CE3-CD1 4.13Å; W440-L444 HydrophobicContact CZ3-CD1 4.43Å; W440-L444 VanDerWaalsContact O-CA 3.3Å; W440-L444 WeakPolarHBondContact O-CA 3.19Å; W440-L444 PolarHBondContact O-N 2.8Å; W440-M446 HydrophobicContact CB-CB 4.07Å; W440-M446 HydrophobicContact CB-SD 4.5Å; W440-L447 HydrophobicContact CD2-CD2 4.35Å; W440-L447 HydrophobicContact CE3-CD2 4.07Å
441V90.9Very high93.4Very high0 Ų053.8 Ų53.80%026%0.264CS..G310 helixtrans-69.2-29.7177.2-174.60000111.6Y167 R417 L421 D438 D439Y167-V441 HydrophobicContact CD1-CB 4.45Å; Y167-V441 HydrophobicContact CD1-CG1 3.85Å; Y167-V441 HydrophobicContact CE1-CB 3.71Å; Y167-V441 HydrophobicContact CE1-CG1 3.37Å; Y167-V441 HydrophobicContact CE1-CG2 4.49Å; Y167-V441 HydrophobicContact CE2-CG1 4.13Å; Y167-V441 HydrophobicContact CG-CG1 4.41Å; R417-V441 HydrophobicContact CG-CG1 4.12Å; R417-V441 PolarHBondContact NH1-O 3.24Å; L421-V441 HydrophobicContact CD2-CG1 4.43Å; D438-V441 WeakPolarHBondContact O-CB 3.23Å; D438-V441 WeakPolarHBondContact O-CG2 3.09Å; D438-V441 PolarHBondContact O-N 3.24Å; D439-V441 PolarHBondContact O-N 3.07Å; D439-V441 VanDerWaalsContact O-N 3.11Å
442K90Very high93.4Very high99 Ų9960.5 Ų60.543%0.4330%0.296SS..THydrogen-bonded Turntrans-94.7-22.2175.2-64.1179.9178.8-179.50112.3Y167 R168 D439 W440Y167-K442 HydrophobicContact CD1-CG 3.93Å; Y167-K442 HydrophobicContact CE1-CG 4.34Å; Y167-K442 WeakPolarHBondContact O-CE 3.47Å; R168-K442 PolarHBondContact O-NZ 2.94Å; D439-K442 PolarHBondContact O-N 3.3Å; W440-K442 VanDerWaalsContact C-N 3.28Å; W440-K442 PolarHBondContact O-N 2.87Å
443N94.5Very high93.5Very high71 Ų7160.6 Ų60.638%0.3830%0.298SS..  trans-132.781.9176.5-175.210.1000111.5D439 W440 I445 M446D439-N443 PolarHBondContact O-N 3.4Å; W440-N443 WeakPolarHBondContact CA-O 3.47Å; W440-N443 CarbonylContact O-C 3.52Å; W440-N443 PolarHBondContact O-N 3.32Å; N443-I445 PolarHBondContact O-N 3.49Å; N443-I445 VanDerWaalsContact O-N 3.07Å; N443-M446 HydrophobicContact CB-CG 4.22Å; N443-M446 HydrophobicContact CB-SD 4.07Å; N443-M446 WeakPolarHBondContact O-CB 3.29Å; N443-M446 WeakPolarHBondContact O-CG 3.28Å; N443-M446 PolarHBondContact O-N 2.99Å
444L96.4Very high93.6Very high3 Ų359.8 Ų59.82%0.01629%0.289CS..G310 helixtrans-63-19.4-173.2-156.865.5000113.8P416 W440 M446 L447 L612 G738P416-L444 HydrophobicContact CB-CD1 3.67Å; P416-L444 HydrophobicContact CB-CD2 4.16Å; P416-L444 HydrophobicContact CG-CD1 4.08Å; P416-L444 HydrophobicContact CG-CD2 4.32Å; W440-L444 HydrophobicContact CE3-CD1 4.13Å; W440-L444 HydrophobicContact CZ3-CD1 4.43Å; W440-L444 VanDerWaalsContact O-CA 3.3Å; W440-L444 WeakPolarHBondContact O-CA 3.19Å; W440-L444 PolarHBondContact O-N 2.8Å; L444-M446 PolarHBondContact O-N 3.48Å; L444-M446 VanDerWaalsContact O-N 3.16Å; L444-L447 HydrophobicContact CD1-CD1 3.55Å; L444-L447 HydrophobicContact CD1-CG 4.01Å; L444-L447 HydrophobicContact CG-CD1 3.85Å; L444-L447 HydrophobicContact CG-CG 4.33Å; L444-L447 WeakPolarHBondContact O-CB 3.07Å; L444-L447 WeakPolarHBondContact O-CG 3.33Å; L444-L447 PolarHBondContact O-N 2.99Å; L444-L612 HydrophobicContact CD1-CD1 4.29Å; L444-L612 HydrophobicContact CD2-CD1 4.12Å; L444-L612 HydrophobicContact CD2-CD2 4.41Å; L444-G738 VanDerWaalsContact O-CA 3.28Å; L444-G738 WeakPolarHBondContact O-CA 3.32Å
445I96Very high93.7Very high82 Ų8264.2 Ų64.242%0.42131%0.311SS..G310 helixtrans-58.6-27.1175.2-64.1173.4000111.4N443 L447 N448N443-I445 PolarHBondContact O-N 3.49Å; N443-I445 VanDerWaalsContact O-N 3.07Å; I445-L447 PolarHBondContact O-N 2.93Å; I445-L447 VanDerWaalsContact O-N 3.12Å; I445-N448 WeakPolarHBondContact O-CB 3.27Å; I445-N448 PolarHBondContact O-N 3.32Å; I445-N448 VanDerWaalsContact O-N 3.13Å; I445-N448 PolarHBondContact O-ND2 2.9Å
446M96.2Very high94Very high46 Ų4665.1 Ų65.123%0.22732%0.316CS..G310 helixtrans-60-21.9177-63.6176.264.600113.1M435 D439 W440 N443 L444 N448 R449M435-M446 VanDerWaalsContact CE-C 3.48Å; M435-M446 HydrophobicContact CE-CB 3.58Å; M435-M446 HydrophobicContact CE-CE 4.42Å; M435-M446 WeakPolarHBondContact CE-O 3.28Å; D439-M446 HydrophobicContact CB-CE 4.13Å; D439-M446 HydrophobicContact CB-SD 3.95Å; W440-M446 HydrophobicContact CB-CB 4.07Å; W440-M446 HydrophobicContact CB-SD 4.5Å; N443-M446 HydrophobicContact CB-CG 4.22Å; N443-M446 HydrophobicContact CB-SD 4.07Å; N443-M446 WeakPolarHBondContact O-CB 3.29Å; N443-M446 WeakPolarHBondContact O-CG 3.28Å; N443-M446 PolarHBondContact O-N 2.99Å; L444-M446 PolarHBondContact O-N 3.48Å; L444-M446 VanDerWaalsContact O-N 3.16Å; M446-N448 PolarHBondContact O-N 3.07Å; M446-N448 VanDerWaalsContact O-N 3.07Å; M446-R449 WeakPolarHBondContact O-CB 3.45Å; M446-R449 WeakPolarHBondContact O-CG 3.34Å; M446-R449 PolarHBondContact O-N 3.37Å
447L96.9Very high94.3Very high0 Ų057.9 Ų57.90%029%0.289CS..G310 helixtrans-57.5-21.6175.6-67.2-174000113I431 M435 W440 L444 I445 R449 L450 L612 A735I431-L447 HydrophobicContact CD1-CD2 4.11Å; I431-L447 HydrophobicContact CG2-CD2 3.91Å; M435-L447 HydrophobicContact SD-CD2 4.2Å; W440-L447 HydrophobicContact CD2-CD2 4.35Å; W440-L447 HydrophobicContact CE3-CD2 4.07Å; L444-L447 HydrophobicContact CD1-CD1 3.55Å; L444-L447 HydrophobicContact CD1-CG 4.01Å; L444-L447 HydrophobicContact CG-CD1 3.85Å; L444-L447 HydrophobicContact CG-CG 4.33Å; L444-L447 WeakPolarHBondContact O-CB 3.07Å; L444-L447 WeakPolarHBondContact O-CG 3.33Å; L444-L447 PolarHBondContact O-N 2.99Å; I445-L447 PolarHBondContact O-N 2.93Å; I445-L447 VanDerWaalsContact O-N 3.12Å; L447-R449 PolarHBondContact O-N 2.86Å; L447-R449 VanDerWaalsContact O-N 3.07Å; L447-L450 HydrophobicContact CB-CD1 4.44Å; L447-L450 HydrophobicContact CD2-CD1 4.01Å; L447-L450 VanDerWaalsContact O-CB 3.23Å; L447-L450 WeakPolarHBondContact O-CB 3.36Å; L447-L450 WeakPolarHBondContact O-CG 3.37Å; L447-L450 PolarHBondContact O-N 3.23Å; L447-L612 HydrophobicContact CD1-CD1 3.72Å; L447-A735 CarbonylContact C-O 3.54Å; L447-A735 WeakPolarHBondContact O-CA 3.46Å
448N96.3Very high94.7Very high58 Ų5862.2 Ų62.231%0.3131%0.31SS..G310 helixtrans-54-28.7173.5-86.7-47000113.2I445 M446 L450 K451 A735I445-N448 WeakPolarHBondContact O-CB 3.27Å; I445-N448 PolarHBondContact O-N 3.32Å; I445-N448 VanDerWaalsContact O-N 3.13Å; I445-N448 PolarHBondContact O-ND2 2.9Å; M446-N448 PolarHBondContact O-N 3.07Å; M446-N448 VanDerWaalsContact O-N 3.07Å; N448-L450 PolarHBondContact O-N 2.82Å; N448-K451 VanDerWaalsContact O-CB 3.28Å; N448-K451 WeakPolarHBondContact O-CB 3.26Å; N448-K451 VanDerWaalsContact O-CG 3.23Å; N448-K451 WeakPolarHBondContact O-CG 3.47Å; N448-K451 PolarHBondContact O-N 2.9Å; N448-K451 VanDerWaalsContact O-N 3.07Å; N448-K451 WeakPolarHBondContact OD1-CE 3.43Å; N448-K451 PolarHBondContact OD1-NZ 3.03Å; N448-A735 WeakPolarHBondContact CA-O 3.36Å; N448-A735 PolarHBondContact N-O 3.22Å; N448-A735 PolarHBondContact OD1-O 3.23Å
449R95.6Very high95.3Very high145 Ų14560.9 Ų60.955%0.54730%0.302SS..G310 helixtrans-63.9-21.6177.1-61.5-178.276.1-179.14.5112.9M446 L447 K451 E452M446-R449 WeakPolarHBondContact O-CB 3.45Å; M446-R449 WeakPolarHBondContact O-CG 3.34Å; M446-R449 PolarHBondContact O-N 3.37Å; L447-R449 PolarHBondContact O-N 2.86Å; L447-R449 VanDerWaalsContact O-N 3.07Å; R449-K451 PolarHBondContact O-N 2.81Å; R449-K451 VanDerWaalsContact O-N 3.11Å; R449-E452 WeakPolarHBondContact O-CB 3.38Å; R449-E452 WeakPolarHBondContact O-CG 3.21Å; R449-E452 PolarHBondContact O-N 3.15Å
450L96.5Very high95.6Very high2 Ų257.4 Ų57.41%0.0128%0.282CS..G310 helixtrans-62-17.3173.6-62.9176000112.7I431 T434 L447 N448 E452 K453 F459 L731 I734 A735I431-L450 HydrophobicContact CD1-CD1 4.49Å; I431-L450 HydrophobicContact CG1-CD1 4.15Å; T434-L450 HydrophobicContact CG2-CD2 4Å; L447-L450 HydrophobicContact CB-CD1 4.44Å; L447-L450 HydrophobicContact CD2-CD1 4.01Å; L447-L450 VanDerWaalsContact O-CB 3.23Å; L447-L450 WeakPolarHBondContact O-CB 3.36Å; L447-L450 WeakPolarHBondContact O-CG 3.37Å; L447-L450 PolarHBondContact O-N 3.23Å; N448-L450 PolarHBondContact O-N 2.82Å; L450-E452 PolarHBondContact O-N 3.45Å; L450-K453 WeakPolarHBondContact O-CB 3.46Å; L450-K453 PolarHBondContact O-N 3.32Å; L450-F459 HydrophobicContact CD2-CZ 4.22Å; L450-L731 HydrophobicContact CB-CD1 3.9Å; L450-I734 HydrophobicContact CD1-CG2 3.92Å; L450-A735 HydrophobicContact CB-CB 4Å
451K95.7Very high95.7Very high76 Ų7662.2 Ų62.233%0.3331%0.307SS..G310 helixtrans-57.9-29.2171.8-67.4176.6-174.51780112.3N448 R449 K453 L454 M732 A735N448-K451 VanDerWaalsContact O-CB 3.28Å; N448-K451 WeakPolarHBondContact O-CB 3.26Å; N448-K451 VanDerWaalsContact O-CG 3.23Å; N448-K451 WeakPolarHBondContact O-CG 3.47Å; N448-K451 PolarHBondContact O-N 2.9Å; N448-K451 VanDerWaalsContact O-N 3.07Å; N448-K451 WeakPolarHBondContact OD1-CE 3.43Å; N448-K451 PolarHBondContact OD1-NZ 3.03Å; R449-K451 PolarHBondContact O-N 2.81Å; R449-K451 VanDerWaalsContact O-N 3.11Å; K451-K453 PolarHBondContact O-N 3.12Å; K451-K453 VanDerWaalsContact O-N 3.14Å; K451-L454 HydrophobicContact CB-CD1 4.08Å; K451-L454 HydrophobicContact CG-CD1 4.42Å; K451-L454 VanDerWaalsContact O-CB 3.28Å; K451-L454 WeakPolarHBondContact O-CB 3.48Å; K451-L454 WeakPolarHBondContact O-CD1 3.36Å; K451-L454 WeakPolarHBondContact O-CG 3.39Å; K451-L454 PolarHBondContact O-N 3.31Å; K451-M732 HydrophobicContact CD-CE 4.39Å; K451-M732 HydrophobicContact CD-SD 4.14Å; K451-M732 HydrophobicContact CG-SD 4.07Å; K451-A735 HydrophobicContact CG-CB 3.79Å
452E96Very high96Very high143 Ų14368.2 Ų68.267%0.66833%0.33SS*.G310 helixtrans-61-22.5175-63.1168.7-159.800112.3R449 L450R449-E452 WeakPolarHBondContact O-CB 3.38Å; R449-E452 WeakPolarHBondContact O-CG 3.21Å; R449-E452 PolarHBondContact O-N 3.15Å; L450-E452 PolarHBondContact O-N 3.45Å
453K96.4Very high96.4Very high68 Ų6863.9 Ų63.930%0.29631%0.312SS..G310 helixtrans-91.83.7177.9-59.9-56.3-167.9171.30114.1T434 L450 K451 N455 D456 F459 L731T434-K453 HydrophobicContact CG2-CG 4Å; L450-K453 WeakPolarHBondContact O-CB 3.46Å; L450-K453 PolarHBondContact O-N 3.32Å; K451-K453 PolarHBondContact O-N 3.12Å; K451-K453 VanDerWaalsContact O-N 3.14Å; K453-N455 PolarHBondContact O-N 3.31Å; K453-N455 VanDerWaalsContact O-N 3.15Å; K453-D456 HydrophobicContact CB-CB 4.34Å; K453-D456 HydrophobicContact CD-CB 4.07Å; K453-D456 IonicContact NZ-OD2 2.63Å; K453-D456 PolarHBondContact NZ-OD2 3.42Å; K453-D456 WeakPolarHBondContact O-CB 3.44Å; K453-D456 PolarHBondContact O-N 3.43Å; K453-F459 HydrophobicContact CB-CB 4.22Å; K453-F459 HydrophobicContact CB-CD1 3.6Å; K453-F459 HydrophobicContact CB-CD2 4.33Å; K453-F459 HydrophobicContact CB-CE1 4.05Å; K453-F459 HydrophobicContact CB-CG 3.76Å; K453-F459 HydrophobicContact CG-CD1 4.29Å; K453-F459 HydrophobicContact CG-CD2 4.14Å; K453-F459 HydrophobicContact CG-CE2 4.47Å; K453-F459 HydrophobicContact CG-CG 4.05Å; K453-L731 HydrophobicContact CB-CD2 4.12Å
454L95.1Very high96.6Very high44 Ų4463.3 Ų63.323%0.2331%0.308CS..THydrogen-bonded Turntrans-56.3-34.3-179.1-79.7168.2000113.4K451 R460 L731 M732K451-L454 HydrophobicContact CB-CD1 4.08Å; K451-L454 HydrophobicContact CG-CD1 4.42Å; K451-L454 VanDerWaalsContact O-CB 3.28Å; K451-L454 WeakPolarHBondContact O-CB 3.48Å; K451-L454 WeakPolarHBondContact O-CD1 3.36Å; K451-L454 WeakPolarHBondContact O-CG 3.39Å; K451-L454 PolarHBondContact O-N 3.31Å; L454-R460 PolarHBondContact O-NH1 3.43Å; L454-L731 HydrophobicContact CD2-CB 4.26Å; L454-L731 HydrophobicContact CD2-CD2 4.1Å; L454-L731 HydrophobicContact CD2-CG 4.08Å; L454-L731 HydrophobicContact CG-CD2 4.4Å; L454-M732 HydrophobicContact CD2-CB 4.43Å
455N96.2Very high96.6Very high132 Ų13268.3 Ų68.371%0.70633%0.334SS*.THydrogen-bonded Turntrans-98.6-3.8179.3-66.7-36.9000113.9K453 G457 R460 K728K453-N455 PolarHBondContact O-N 3.31Å; K453-N455 VanDerWaalsContact O-N 3.15Å; N455-G457 PolarHBondContact O-N 3.48Å; N455-R460 VanDerWaalsContact CA-NH1 3.29Å; N455-R460 PolarHBondContact O-NH1 3.43Å; N455-R460 VanDerWaalsContact O-NH1 3.16Å; N455-K728 PolarHBondContact OD1-NZ 2.97Å
456D97Very high96.7Very high50 Ų5065.4 Ų65.427%0.26732%0.32SS..  trans-77.9100175.2-175-21.4000110.9K453 N458 F459 R460K453-D456 HydrophobicContact CB-CB 4.34Å; K453-D456 HydrophobicContact CD-CB 4.07Å; K453-D456 IonicContact NZ-OD2 2.63Å; K453-D456 PolarHBondContact NZ-OD2 3.42Å; K453-D456 WeakPolarHBondContact O-CB 3.44Å; K453-D456 PolarHBondContact O-N 3.43Å; D456-N458 VanDerWaalsContact C-N 3.29Å; D456-N458 PolarHBondContact O-N 2.85Å; D456-N458 WeakPolarHBondContact OD1-CB 3.42Å; D456-N458 PolarHBondContact OD1-N 3.43Å; D456-N458 VanDerWaalsContact OD1-N 3.12Å; D456-F459 HydrophobicContact CB-CB 3.88Å; D456-F459 PolarHBondContact O-N 3.23Å; D456-F459 PolarHBondContact OD1-N 3.26Å; D456-R460 VanDerWaalsContact C-NH1 3.28Å; D456-R460 WeakPolarHBondContact O-CG 3.29Å; D456-R460 PolarHBondContact O-N 3.37Å; D456-R460 VanDerWaalsContact O-N 3.09Å; D456-R460 PolarHBondContact O-NH1 3.44Å
457G96.7Very high96.8Very high26 Ų2663.9 Ų63.927%0.26831%0.312SS..Hα-helixtrans-62-35-17900000113.5N455 R460 N461N455-G457 PolarHBondContact O-N 3.48Å; G457-R460 PolarHBondContact O-N 3.27Å; G457-N461 WeakPolarHBondContact O-CB 3.41Å; G457-N461 PolarHBondContact O-N 3.27Å; G457-N461 PolarHBondContact O-ND2 2.94Å; G457-N461 PolarHBondContact O-OD1 2.95Å
458N96.5Very high96.9Very high125 Ų12566.4 Ų66.467%0.66832%0.324SS*.Hα-helixtrans-67.9-43.1178.9-70.3-24.9000111.1D456 N461 R462D456-N458 VanDerWaalsContact C-N 3.29Å; D456-N458 PolarHBondContact O-N 2.85Å; D456-N458 WeakPolarHBondContact OD1-CB 3.42Å; D456-N458 PolarHBondContact OD1-N 3.43Å; D456-N458 VanDerWaalsContact OD1-N 3.12Å; N458-N461 PolarHBondContact O-N 3.02Å; N458-R462 WeakPolarHBondContact O-CG 3.45Å; N458-R462 PolarHBondContact O-N 2.87Å; N458-R462 VanDerWaalsContact O-N 3.07Å
459F97.5Very high97Very high10 Ų1068.1 Ų68.14%0.04433%0.333CS..Hα-helixtrans-61.4-46.3174.9-178.2-88.3000111.6L430 T434 L450 K453 D456 N461 R462 L463 L731L430-F459 HydrophobicContact CD1-CD2 4.04Å; L430-F459 HydrophobicContact CD1-CE2 3.72Å; L430-F459 HydrophobicContact CD1-CZ 4.48Å; L430-F459 HydrophobicContact CD2-CE2 4.13Å; L430-F459 HydrophobicContact CD2-CZ 4.08Å; L430-F459 HydrophobicContact CG-CD2 4.48Å; L430-F459 HydrophobicContact CG-CE2 3.71Å; L430-F459 HydrophobicContact CG-CZ 4.04Å; T434-F459 HydrophobicContact CG2-CE2 4.24Å; T434-F459 WeakPolarHBondContact OG1-CE2 3.49Å; L450-F459 HydrophobicContact CD2-CZ 4.22Å; K453-F459 HydrophobicContact CB-CB 4.22Å; K453-F459 HydrophobicContact CB-CD1 3.6Å; K453-F459 HydrophobicContact CB-CD2 4.33Å; K453-F459 HydrophobicContact CB-CE1 4.05Å; K453-F459 HydrophobicContact CB-CG 3.76Å; K453-F459 HydrophobicContact CG-CD1 4.29Å; K453-F459 HydrophobicContact CG-CD2 4.14Å; K453-F459 HydrophobicContact CG-CE2 4.47Å; K453-F459 HydrophobicContact CG-CG 4.05Å; D456-F459 HydrophobicContact CB-CB 3.88Å; D456-F459 PolarHBondContact O-N 3.23Å; D456-F459 PolarHBondContact OD1-N 3.26Å; F459-N461 VanDerWaalsContact C-N 3.35Å; F459-N461 PolarHBondContact O-N 3.38Å; F459-R462 PolarHBondContact O-N 3.5Å; F459-L463 HydrophobicContact CE1-CD2 4.48Å; F459-L463 PolarHBondContact O-N 2.81Å; F459-L731 HydrophobicContact CD1-CD1 4.48Å; F459-L731 HydrophobicContact CD1-CD2 3.94Å; F459-L731 HydrophobicContact CE1-CD1 3.6Å; F459-L731 HydrophobicContact CE1-CD2 3.88Å; F459-L731 HydrophobicContact CE1-CG 4.38Å; F459-L731 HydrophobicContact CZ-CD1 4.36Å
460R96.9Very high97.1Very high26 Ų2661.5 Ų61.510%0.09831%0.308CS..Hα-helixtrans-61.3-41.3178-69.5-165.5-50.2-77.5-4.1112.2L454 N455 D456 G457 R462 L463 I464 S727 L731L454-R460 PolarHBondContact O-NH1 3.43Å; N455-R460 VanDerWaalsContact CA-NH1 3.29Å; N455-R460 PolarHBondContact O-NH1 3.43Å; N455-R460 VanDerWaalsContact O-NH1 3.16Å; D456-R460 VanDerWaalsContact C-NH1 3.28Å; D456-R460 WeakPolarHBondContact O-CG 3.29Å; D456-R460 PolarHBondContact O-N 3.37Å; D456-R460 VanDerWaalsContact O-N 3.09Å; D456-R460 PolarHBondContact O-NH1 3.44Å; G457-R460 PolarHBondContact O-N 3.27Å; R460-R462 PolarHBondContact O-N 2.89Å; R460-L463 WeakPolarHBondContact O-CB 3.46Å; R460-L463 PolarHBondContact O-N 2.76Å; R460-I464 WeakPolarHBondContact O-CG1 3.45Å; R460-I464 PolarHBondContact O-N 3.38Å; R460-S727 WeakPolarHBondContact CD-OG 3.26Å; R460-L731 HydrophobicContact CG-CD2 4.4Å
461N97Very high97.2Very high100 Ų10061.4 Ų61.454%0.53531%0.308SS..Hα-helixtrans-61.9-45.3176.1-70.4-9.3000111.5G457 N458 F459 L463 I464 L465G457-N461 WeakPolarHBondContact O-CB 3.41Å; G457-N461 PolarHBondContact O-N 3.27Å; G457-N461 PolarHBondContact O-ND2 2.94Å; G457-N461 PolarHBondContact O-OD1 2.95Å; N458-N461 PolarHBondContact O-N 3.02Å; F459-N461 VanDerWaalsContact C-N 3.35Å; F459-N461 PolarHBondContact O-N 3.38Å; N461-L463 VanDerWaalsContact C-N 3.3Å; N461-L463 PolarHBondContact O-N 3.47Å; N461-I464 PolarHBondContact O-N 3.46Å; N461-L465 WeakPolarHBondContact O-CG 3.24Å; N461-L465 PolarHBondContact O-N 3.41Å
462R97.5Very high97.3Very high127 Ų12761 Ų6148%0.47931%0.31SS..Hα-helixtrans-60.4-38.6174.6-71.2176.665.3-160.1-3.7112.4L430 S433 N458 F459 R460 L465 V466L430-R462 HydrophobicContact CD1-CB 4.01Å; L430-R462 VanDerWaalsContact CD1-CZ 3.48Å; L430-R462 HydrophobicContact CD2-CB 4.43Å; S433-R462 PolarHBondContact OG-NH2 2.83Å; N458-R462 WeakPolarHBondContact O-CG 3.45Å; N458-R462 PolarHBondContact O-N 2.87Å; N458-R462 VanDerWaalsContact O-N 3.07Å; F459-R462 PolarHBondContact O-N 3.5Å; R460-R462 PolarHBondContact O-N 2.89Å; R462-L465 PolarHBondContact O-N 2.93Å; R462-V466 WeakPolarHBondContact O-CG2 3.4Å; R462-V466 PolarHBondContact O-N 2.67Å
463L98Very high97.4Very high8 Ų860 Ų604%0.04230%0.3CS..Hα-helixtrans-62.8-44.1176.5177.360.6000112.1L427 L430 F459 R460 N461 V466 K467 V730 L731 I734L427-L463 HydrophobicContact CD1-CD1 3.58Å; L430-L463 HydrophobicContact CD2-CB 3.92Å; L430-L463 HydrophobicContact CD2-CD1 4.14Å; F459-L463 HydrophobicContact CE1-CD2 4.48Å; F459-L463 PolarHBondContact O-N 2.81Å; R460-L463 WeakPolarHBondContact O-CB 3.46Å; R460-L463 PolarHBondContact O-N 2.76Å; N461-L463 VanDerWaalsContact C-N 3.3Å; N461-L463 PolarHBondContact O-N 3.47Å; L463-V466 PolarHBondContact O-N 2.52Å; L463-K467 PolarHBondContact O-N 3.13Å; L463-V730 HydrophobicContact CD2-CG1 3.95Å; L463-V730 HydrophobicContact CG-CG1 4.28Å; L463-L731 HydrophobicContact CD2-CB 3.88Å; L463-L731 HydrophobicContact CD2-CD1 4.29Å; L463-I734 HydrophobicContact CD1-CD1 3.72Å; L463-I734 HydrophobicContact CD2-CD1 4.26Å
464I97.8Very high97.4Very high59 Ų5957 Ų5730%0.30329%0.286SS..Hα-helixtrans-68.3-37.6176.5-63-55.1000111.4R460 N461 V466 K467 Q468R460-I464 WeakPolarHBondContact O-CG1 3.45Å; R460-I464 PolarHBondContact O-N 3.38Å; N461-I464 PolarHBondContact O-N 3.46Å; I464-V466 VanDerWaalsContact C-N 3.33Å; I464-V466 PolarHBondContact O-N 2.94Å; I464-K467 WeakPolarHBondContact O-CB 3.4Å; I464-K467 PolarHBondContact O-N 3.46Å; I464-K467 VanDerWaalsContact O-N 3.1Å; I464-Q468 PolarHBondContact O-N 3.01Å
465L97.6Very high97.5Very high108 Ų10856 Ų5657%0.56528%0.282SS*.Hα-helixtrans-59.5-42.7173.2-71.7172.3000111.9N461 R462 K467 Q468 D469N461-L465 WeakPolarHBondContact O-CG 3.24Å; N461-L465 PolarHBondContact O-N 3.41Å; R462-L465 PolarHBondContact O-N 2.93Å; L465-K467 VanDerWaalsContact C-N 3.31Å; L465-K467 PolarHBondContact O-N 2.99Å; L465-Q468 WeakPolarHBondContact O-CB 3.39Å; L465-Q468 PolarHBondContact O-N 3.18Å; L465-Q468 VanDerWaalsContact O-N 3.13Å; L465-D469 PolarHBondContact O-N 3.08Å
466V98.2Very high97.5Very high20 Ų2052.4 Ų52.412%0.12127%0.271CS..Hα-helixtrans-59-41.3173.6168.10000111.6L427 R462 L463 I464 D469 N470L427-V466 HydrophobicContact CB-CG1 3.94Å; R462-V466 WeakPolarHBondContact O-CG2 3.4Å; R462-V466 PolarHBondContact O-N 2.67Å; L463-V466 PolarHBondContact O-N 2.52Å; I464-V466 VanDerWaalsContact C-N 3.33Å; I464-V466 PolarHBondContact O-N 2.94Å; V466-D469 PolarHBondContact O-N 3.19Å; V466-N470 PolarHBondContact O-N 3.31Å; V466-N470 PolarHBondContact O-ND2 2.99Å; V466-N470 PolarHBondContact O-OD1 3.32Å
467K98.5Very high97.3Very high14 Ų1450.8 Ų50.86%0.06126%0.261CS..Hα-helixtrans-61.4-45.2174.6179.562.960.9-179.50110.9L463 I464 L465 D469 N470 K471 P587 T589 D590 N613L463-K467 PolarHBondContact O-N 3.13Å; I464-K467 WeakPolarHBondContact O-CB 3.4Å; I464-K467 PolarHBondContact O-N 3.46Å; I464-K467 VanDerWaalsContact O-N 3.1Å; L465-K467 VanDerWaalsContact C-N 3.31Å; L465-K467 PolarHBondContact O-N 2.99Å; K467-D469 PolarHBondContact O-N 3.35Å; K467-N470 WeakPolarHBondContact O-CB 3.45Å; K467-N470 PolarHBondContact O-N 3.39Å; K467-K471 HydrophobicContact CG-CD 4.27Å; K467-K471 WeakPolarHBondContact O-CG 3.42Å; K467-K471 PolarHBondContact O-N 2.72Å; K467-P587 PolarHBondContact NZ-O 3.27Å; K467-T589 WeakPolarHBondContact CE-O 3.4Å; K467-T589 PolarHBondContact NZ-O 3.32Å; K467-D590 WeakPolarHBondContact CG-OD1 3.27Å; K467-N613 PolarHBondContact NZ-O 3.12Å
468Q98Very high97.1Very high54 Ų5449.6 Ų49.625%0.25225%0.249SC..Hα-helixtrans-62.9-41.6178.9-166.558.636.100112.1I464 L465 N470 K471 N472 P488I464-Q468 PolarHBondContact O-N 3.01Å; L465-Q468 WeakPolarHBondContact O-CB 3.39Å; L465-Q468 PolarHBondContact O-N 3.18Å; L465-Q468 VanDerWaalsContact O-N 3.13Å; Q468-N470 VanDerWaalsContact C-N 3.32Å; Q468-N470 PolarHBondContact O-N 3.37Å; Q468-K471 WeakPolarHBondContact O-CB 3.31Å; Q468-K471 PolarHBondContact O-N 2.91Å; Q468-N472 VanDerWaalsContact O-CG 3.27Å; Q468-N472 PolarHBondContact O-N 3.48Å; Q468-N472 PolarHBondContact O-ND2 2.84Å; Q468-P488 PolarHBondContact NE2-O 3.09Å; Q468-P488 PolarHBondContact OE1-O 3.31Å
469D98.1Very high96.9Very high94 Ų9446.9 Ų46.950%0.50323%0.232SC..Hα-helixtrans-62.4-39.4174.2-72.9-16.8000111.9L465 V466 K467 N472 R473L465-D469 PolarHBondContact O-N 3.08Å; V466-D469 PolarHBondContact O-N 3.19Å; K467-D469 PolarHBondContact O-N 3.35Å; D469-N472 PolarHBondContact O-N 3.48Å; D469-R473 VanDerWaalsContact O-CG 3.3Å; D469-R473 WeakPolarHBondContact O-CG 3.34Å; D469-R473 PolarHBondContact O-N 2.95Å
470N98.4Very high96.6Very high5 Ų553.6 Ų53.63%0.02726%0.264CS..Hα-helixtrans-62.1-43.4173.9-66.4-21.8000111.7N424 V466 K467 Q468 R473 F474 P587 A588N424-N470 PolarHBondContact ND2-ND2 2.92Å; N424-N470 PolarHBondContact OD1-ND2 3.47Å; V466-N470 PolarHBondContact O-N 3.31Å; V466-N470 PolarHBondContact O-ND2 2.99Å; V466-N470 PolarHBondContact O-OD1 3.32Å; K467-N470 WeakPolarHBondContact O-CB 3.45Å; K467-N470 PolarHBondContact O-N 3.39Å; Q468-N470 VanDerWaalsContact C-N 3.32Å; Q468-N470 PolarHBondContact O-N 3.37Å; N470-R473 PolarHBondContact O-N 2.96Å; N470-R473 PolarHBondContact OD1-NH2 3.47Å; N470-F474 PolarHBondContact O-N 3.45Å; N470-P587 HydrophobicContact CB-CB 4.06Å; N470-P587 WeakPolarHBondContact CB-O 3.49Å; N470-P587 PolarHBondContact ND2-O 2.9Å; N470-P587 VanDerWaalsContact ND2-O 3.14Å; N470-A588 HydrophobicContact CB-CB 4.39Å
471K98.5Very high95.9Very high1 Ų155.4 Ų55.40%0.00427%0.273CS..Hα-helixtrans-61.4-49.8175.7-69.4171.375.4176.90110.9K467 Q468 R473 F474 V475 P488 S490 F492 A588 D590K467-K471 HydrophobicContact CG-CD 4.27Å; K467-K471 WeakPolarHBondContact O-CG 3.42Å; K467-K471 PolarHBondContact O-N 2.72Å; Q468-K471 WeakPolarHBondContact O-CB 3.31Å; Q468-K471 PolarHBondContact O-N 2.91Å; K471-R473 VanDerWaalsContact C-N 3.32Å; K471-R473 PolarHBondContact O-N 3.31Å; K471-F474 CarbonylContact O-C 3.44Å; K471-F474 WeakPolarHBondContact O-CA 3.12Å; K471-F474 WeakPolarHBondContact O-CB 3.41Å; K471-F474 PolarHBondContact O-N 2.97Å; K471-V475 WeakPolarHBondContact O-CG2 3.36Å; K471-V475 PolarHBondContact O-N 3.29Å; K471-P488 HydrophobicContact CB-CB 4.45Å; K471-P488 WeakPolarHBondContact CE-O 3.39Å; K471-P488 PolarHBondContact NZ-O 3.28Å; K471-P488 VanDerWaalsContact NZ-O 3.11Å; K471-S490 WeakPolarHBondContact CE-O 3.36Å; K471-S490 PolarHBondContact NZ-O 3Å; K471-F492 HydrophobicContact CB-CE2 4.08Å; K471-F492 HydrophobicContact CG-CD2 3.94Å; K471-F492 HydrophobicContact CG-CE2 3.98Å; K471-A588 HydrophobicContact CG-CB 4.28Å; K471-A588 WeakPolarHBondContact CG-O 3.18Å; K471-D590 VanDerWaalsContact CE-OD2 3.26Å; K471-D590 WeakPolarHBondContact CE-OD2 3.48Å; K471-D590 IonicContact NZ-OD1 3.86Å; K471-D590 IonicContact NZ-OD2 3.67Å; K471-D590 PolarHBondContact NZ-OD2 2.93Å
472N98.1Very high95.3Very high68 Ų6851.6 Ų51.636%0.36425%0.251SS..Hα-helixtrans-56.4-43.8177.3-69.8-25.7000112.2Q468 D469 F474 V475 A476 P488Q468-N472 VanDerWaalsContact O-CG 3.27Å; Q468-N472 PolarHBondContact O-N 3.48Å; Q468-N472 PolarHBondContact O-ND2 2.84Å; D469-N472 PolarHBondContact O-N 3.48Å; N472-F474 VanDerWaalsContact C-N 3.34Å; N472-F474 PolarHBondContact O-N 3.31Å; N472-V475 PolarHBondContact O-N 3.21Å; N472-A476 WeakPolarHBondContact O-CB 3.08Å; N472-A476 PolarHBondContact O-N 3.07Å; N472-P488 WeakPolarHBondContact OD1-CB 3.32Å
473R96.6Very high94.7Very high122 Ų12249.7 Ų49.746%0.4625%0.25SS..Hα-helixtrans-64.4-36.9175.6-71-173.3-59.4159.53.8112.8D469 N470 K471 Y477D469-R473 VanDerWaalsContact O-CG 3.3Å; D469-R473 WeakPolarHBondContact O-CG 3.34Å; D469-R473 PolarHBondContact O-N 2.95Å; N470-R473 PolarHBondContact O-N 2.96Å; N470-R473 PolarHBondContact OD1-NH2 3.47Å; K471-R473 VanDerWaalsContact C-N 3.32Å; K471-R473 PolarHBondContact O-N 3.31Å; R473-Y477 WeakPolarHBondContact O-CB 3.25Å; R473-Y477 PolarHBondContact O-N 2.65Å; R473-Y477 VanDerWaalsContact O-N 3.1Å
474F97.1Very high94.2Very high3 Ų350.8 Ų50.81%0.01326%0.256CS..Hα-helixtrans-69.5-44.1175.2-176.1-103.2000111.6N470 K471 N472 A476 Y477 M478 L486 F492 I533 L574 L581 R584 I585 A588N470-F474 PolarHBondContact O-N 3.45Å; K471-F474 CarbonylContact O-C 3.44Å; K471-F474 WeakPolarHBondContact O-CA 3.12Å; K471-F474 WeakPolarHBondContact O-CB 3.41Å; K471-F474 PolarHBondContact O-N 2.97Å; N472-F474 VanDerWaalsContact C-N 3.34Å; N472-F474 PolarHBondContact O-N 3.31Å; F474-A476 PolarHBondContact O-N 3.16Å; F474-Y477 HydrophobicContact CE2-CD1 4.46Å; F474-Y477 WeakPolarHBondContact O-CB 3.47Å; F474-Y477 PolarHBondContact O-N 2.98Å; F474-Y477 VanDerWaalsContact O-N 3.16Å; F474-M478 HydrophobicContact CD1-CG 3.99Å; F474-M478 HydrophobicContact CE1-CG 3.53Å; F474-M478 HydrophobicContact CE1-SD 4.07Å; F474-M478 HydrophobicContact CE2-CG 4.11Å; F474-M478 HydrophobicContact CE2-SD 4.02Å; F474-M478 HydrophobicContact CG-CG 4.45Å; F474-M478 HydrophobicContact CZ-CE 4.48Å; F474-M478 HydrophobicContact CZ-CG 3.59Å; F474-M478 HydrophobicContact CZ-SD 3.53Å; F474-M478 VanDerWaalsContact CZ-SD 3.53Å; F474-M478 VanDerWaalsContact O-CG 3.3Å; F474-M478 WeakPolarHBondContact O-CG 3.47Å; F474-M478 PolarHBondContact O-N 3.03Å; F474-L486 HydrophobicContact CD1-CD1 4.13Å; F474-L486 HydrophobicContact CE1-CD1 3.81Å; F474-F492 AromaticContact CD1-CE2 3.86Å; F474-F492 HydrophobicContact CD1-CE2 3.86Å; F474-I533 HydrophobicContact CE1-CD1 4.01Å; F474-L574 HydrophobicContact CZ-CD1 4.17Å; F474-L581 HydrophobicContact CE2-CD1 4.47Å; F474-R584 HydrophobicContact CD2-CB 4.11Å; F474-I585 HydrophobicContact CD1-CD1 4.06Å; F474-I585 HydrophobicContact CD2-CB 4.38Å; F474-I585 HydrophobicContact CD2-CD1 4.31Å; F474-I585 HydrophobicContact CE1-CD1 3.61Å; F474-I585 HydrophobicContact CE2-CB 3.9Å; F474-I585 HydrophobicContact CE2-CD1 3.9Å; F474-I585 HydrophobicContact CE2-CG1 4.42Å; F474-I585 HydrophobicContact CG-CD1 4.4Å; F474-I585 HydrophobicContact CZ-CB 4.29Å; F474-I585 HydrophobicContact CZ-CD1 3.53Å; F474-I585 HydrophobicContact CZ-CG1 4.35Å; F474-A588 HydrophobicContact CB-CB 3.69Å; F474-A588 HydrophobicContact CG-CB 4.16Å
475V96.9Very high93.9Very high24 Ų2454.9 Ų54.915%0.14527%0.274CS..Hα-helixtrans-57.6-48.2174.5174.30000111K471 N472 Y477 M478 Q479 L486 P488 F492K471-V475 WeakPolarHBondContact O-CG2 3.36Å; K471-V475 PolarHBondContact O-N 3.29Å; N472-V475 PolarHBondContact O-N 3.21Å; V475-Y477 VanDerWaalsContact C-N 3.3Å; V475-Y477 PolarHBondContact O-N 3.36Å; V475-M478 PolarHBondContact O-N 2.85Å; V475-M478 VanDerWaalsContact O-N 3.15Å; V475-Q479 PolarHBondContact O-N 2.83Å; V475-L486 HydrophobicContact CG1-CB 4.27Å; V475-L486 WeakPolarHBondContact CG1-O 3.03Å; V475-L486 HydrophobicContact CG2-CB 3.8Å; V475-P488 HydrophobicContact CG2-CB 3.89Å; V475-F492 HydrophobicContact CG2-CE2 4.44Å; V475-F492 HydrophobicContact CG2-CZ 3.81Å
476A96.7Very high93.7Very high57 Ų5750.4 Ų50.447%0.47125%0.25SS..Hα-helixtrans-59.4-40.2176.500000112.3N472 F474 Q480N472-A476 WeakPolarHBondContact O-CB 3.08Å; N472-A476 PolarHBondContact O-N 3.07Å; F474-A476 PolarHBondContact O-N 3.16Å; A476-Q480 VanDerWaalsContact O-CB 3.27Å; A476-Q480 WeakPolarHBondContact O-CB 2.96Å; A476-Q480 PolarHBondContact O-N 3.38Å
477Y93.7Very high93.6Very high16 Ų1652.2 Ų52.26%0.06326%0.259CS..Hα-helixtrans-63.1-44.4175.1170.9-97.4000112.3M93 R473 F474 V475 Q480 H481 L581M93-Y477 HydrophobicContact CE-CD2 3.85Å; M93-Y477 HydrophobicContact CE-CE2 3.48Å; M93-Y477 VanDerWaalsContact CE-CE2 3.48Å; M93-Y477 HydrophobicContact SD-CE2 3.98Å; R473-Y477 WeakPolarHBondContact O-CB 3.25Å; R473-Y477 PolarHBondContact O-N 2.65Å; R473-Y477 VanDerWaalsContact O-N 3.1Å; F474-Y477 HydrophobicContact CE2-CD1 4.46Å; F474-Y477 WeakPolarHBondContact O-CB 3.47Å; F474-Y477 PolarHBondContact O-N 2.98Å; F474-Y477 VanDerWaalsContact O-N 3.16Å; V475-Y477 VanDerWaalsContact C-N 3.3Å; V475-Y477 PolarHBondContact O-N 3.36Å; Y477-Q480 PolarHBondContact O-N 3.07Å; Y477-H481 AromaticContact CD2-CE1 3.79Å; Y477-H481 AromaticContact CD2-CG 3.93Å; Y477-H481 AromaticContact CD2-ND1 3.33Å; Y477-H481 VanDerWaalsContact CD2-ND1 3.33Å; Y477-H481 WeakPolarHBondContact CD2-ND1 3.31Å; Y477-H481 HydrophobicContact CE2-CB 4.14Å; Y477-H481 AromaticContact CE2-CG 3.72Å; Y477-H481 AromaticContact CE2-ND1 3.61Å; Y477-H481 WeakPolarHBondContact O-CB 3.36Å; Y477-H481 PolarHBondContact O-N 2.87Å; Y477-H481 PolarHBondContact O-ND1 3.43Å; Y477-L581 HydrophobicContact CD1-CD1 4.49Å; Y477-L581 HydrophobicContact CE1-CD1 3.61Å
478M92.2Very high93.5Very high1 Ų153 Ų531%0.00527%0.266CS..Hα-helixtrans-65.9-40.4179.5-68.2-62.1-67.900111.8F474 V475 R482 N483 I484 L486 I572 L574F474-M478 HydrophobicContact CD1-CG 3.99Å; F474-M478 HydrophobicContact CE1-CG 3.53Å; F474-M478 HydrophobicContact CE1-SD 4.07Å; F474-M478 HydrophobicContact CE2-CG 4.11Å; F474-M478 HydrophobicContact CE2-SD 4.02Å; F474-M478 HydrophobicContact CG-CG 4.45Å; F474-M478 HydrophobicContact CZ-CE 4.48Å; F474-M478 HydrophobicContact CZ-CG 3.59Å; F474-M478 HydrophobicContact CZ-SD 3.53Å; F474-M478 VanDerWaalsContact CZ-SD 3.53Å; F474-M478 VanDerWaalsContact O-CG 3.3Å; F474-M478 WeakPolarHBondContact O-CG 3.47Å; F474-M478 PolarHBondContact O-N 3.03Å; V475-M478 PolarHBondContact O-N 2.85Å; V475-M478 VanDerWaalsContact O-N 3.15Å; M478-R482 CarbonylContact O-C 3.56Å; M478-R482 WeakPolarHBondContact O-CA 3.36Å; M478-R482 WeakPolarHBondContact O-CB 3.42Å; M478-R482 PolarHBondContact O-N 3.17Å; M478-N483 PolarHBondContact O-N 3.03Å; M478-I484 CarbonylContact C-O 3.58Å; M478-I484 HydrophobicContact CB-CB 4.48Å; M478-I484 HydrophobicContact CE-CB 4.2Å; M478-I484 HydrophobicContact CE-CD1 3.77Å; M478-I484 HydrophobicContact CE-CG2 4.36Å; M478-I484 PolarHBondContact O-N 3.23Å; M478-L486 HydrophobicContact CB-CD1 4.07Å; M478-L486 HydrophobicContact CG-CD1 3.81Å; M478-I572 HydrophobicContact CE-CD1 3.88Å; M478-L574 HydrophobicContact CE-CD1 3.94Å; M478-L574 HydrophobicContact SD-CD1 3.87Å
479Q91.9Very high93.4Very high67 Ų6754.4 Ų54.431%0.31328%0.282SS..Hα-helixtrans-63.8-51.3174.4-174.657.531.400111.2V475 H481 N483 I484V475-Q479 PolarHBondContact O-N 2.83Å; Q479-H481 PolarHBondContact O-N 3.15Å; Q479-N483 PolarHBondContact NE2-OD1 3.41Å; Q479-N483 VanDerWaalsContact NE2-OD1 3.08Å; Q479-N483 VanDerWaalsContact O-CA 3.32Å; Q479-N483 WeakPolarHBondContact O-CA 3.48Å; Q479-N483 PolarHBondContact O-N 2.96Å; Q479-N483 VanDerWaalsContact O-N 3.14Å; Q479-I484 PolarHBondContact N-O 3.29Å
480Q90.2Very high93.3Very high152 Ų15250 Ų5071%0.7126%0.259SS*.Hα-helixtrans-69.2-33.5-173.7-177-176.92.800113.8A476 Y477A476-Q480 VanDerWaalsContact O-CB 3.27Å; A476-Q480 WeakPolarHBondContact O-CB 2.96Å; A476-Q480 PolarHBondContact O-N 3.38Å; Y477-Q480 PolarHBondContact O-N 3.07Å
481H83.8Confident93.3Very high63 Ų6349.8 Ų49.829%0.29226%0.257SS..Hα-helixtrans-112-8.6-169.7-59.881.3000114.2M93 Y477 Q479M93-H481 WeakPolarHBondContact CE-CE1 3.46Å; M93-H481 WeakPolarHBondContact CE-NE2 3.38Å; Y477-H481 AromaticContact CD2-CE1 3.79Å; Y477-H481 AromaticContact CD2-CG 3.93Å; Y477-H481 AromaticContact CD2-ND1 3.33Å; Y477-H481 VanDerWaalsContact CD2-ND1 3.33Å; Y477-H481 WeakPolarHBondContact CD2-ND1 3.31Å; Y477-H481 HydrophobicContact CE2-CB 4.14Å; Y477-H481 AromaticContact CE2-CG 3.72Å; Y477-H481 AromaticContact CE2-ND1 3.61Å; Y477-H481 WeakPolarHBondContact O-CB 3.36Å; Y477-H481 PolarHBondContact O-N 2.87Å; Y477-H481 PolarHBondContact O-ND1 3.43Å; Q479-H481 PolarHBondContact O-N 3.15Å
482R83.1Confident93.3Very high20 Ų2049.8 Ų49.88%0.07526%0.257CS..Hα-helixtrans-140.1-1.6-177.2-55.9-173.2-179.7-138.9-2.9113.3M478 I484 R575 L581M478-R482 CarbonylContact O-C 3.56Å; M478-R482 WeakPolarHBondContact O-CA 3.36Å; M478-R482 WeakPolarHBondContact O-CB 3.42Å; M478-R482 PolarHBondContact O-N 3.17Å; R482-I484 HydrophobicContact CB-CD1 3.97Å; R482-I484 HydrophobicContact CB-CG1 4.12Å; R482-I484 WeakPolarHBondContact O-CG1 3.34Å; R482-I484 PolarHBondContact O-N 3.01Å; R482-R575 VanDerWaalsContact NH1-N 3.12Å; R482-R575 PolarHBondContact NH1-O 3.19Å; R482-R575 PolarHBondContact NH2-O 3.33Å; R482-L581 VanDerWaalsContact NH2-CD2 3.33Å
483N86.1Confident93.4Very high87 Ų8746.6 Ų46.647%0.46524%0.24SC..  trans5329.3-172.8-158.132.4000114.6E100 M478 Q479E100-N483 WeakPolarHBondContact OE1-CB 3.16Å; E100-N483 PolarHBondContact OE1-ND2 3.38Å; M478-N483 PolarHBondContact O-N 3.03Å; Q479-N483 PolarHBondContact NE2-OD1 3.41Å; Q479-N483 VanDerWaalsContact NE2-OD1 3.08Å; Q479-N483 VanDerWaalsContact O-CA 3.32Å; Q479-N483 WeakPolarHBondContact O-CA 3.48Å; Q479-N483 PolarHBondContact O-N 2.96Å; Q479-N483 VanDerWaalsContact O-N 3.14Å
484I87.2Confident93.5Very high32 Ų3240.8 Ų40.816%0.16422%0.218CC..  trans-100.5113.8179.7-64.1167.9000109.5M478 Q479 R482 L486 I572M478-I484 CarbonylContact C-O 3.58Å; M478-I484 HydrophobicContact CB-CB 4.48Å; M478-I484 HydrophobicContact CE-CB 4.2Å; M478-I484 HydrophobicContact CE-CD1 3.77Å; M478-I484 HydrophobicContact CE-CG2 4.36Å; M478-I484 PolarHBondContact O-N 3.23Å; Q479-I484 PolarHBondContact N-O 3.29Å; R482-I484 HydrophobicContact CB-CD1 3.97Å; R482-I484 HydrophobicContact CB-CG1 4.12Å; R482-I484 WeakPolarHBondContact O-CG1 3.34Å; R482-I484 PolarHBondContact O-N 3.01Å; I484-L486 HydrophobicContact CG2-CD2 3.66Å; I484-L486 HydrophobicContact CG2-CG 4.07Å; I484-I572 HydrophobicContact CG2-CG2 4.22Å
485Q91Very high93.6Very high144 Ų14440.9 Ų40.967%0.67322%0.219SC*.  trans-77.9126.5171.6-69.1-176.11.700110.9K570Q485-K570 WeakPolarHBondContact O-CE 3.41Å; Q485-K570 PolarHBondContact O-NZ 2.81Å; Q485-K570 VanDerWaalsContact O-NZ 3.14Å
486L94.3Very high93.6Very high14 Ų1440 Ų407%0.07321%0.213CC..  trans-125.3144.7178-59.7-178.2000110.1F474 V475 M478 I484 P488 F492 T531 K570 I572F474-L486 HydrophobicContact CD1-CD1 4.13Å; F474-L486 HydrophobicContact CE1-CD1 3.81Å; V475-L486 HydrophobicContact CG1-CB 4.27Å; V475-L486 WeakPolarHBondContact CG1-O 3.03Å; V475-L486 HydrophobicContact CG2-CB 3.8Å; M478-L486 HydrophobicContact CB-CD1 4.07Å; M478-L486 HydrophobicContact CG-CD1 3.81Å; I484-L486 HydrophobicContact CG2-CD2 3.66Å; I484-L486 HydrophobicContact CG2-CG 4.07Å; L486-P488 VanDerWaalsContact O-CD 3.31Å; L486-P488 WeakPolarHBondContact O-CD 3.49Å; L486-F492 HydrophobicContact CB-CZ 4.46Å; L486-F492 HydrophobicContact CD1-CZ 4.47Å; L486-T531 HydrophobicContact CD2-CG2 3.93Å; L486-K570 HydrophobicContact CD2-CD 3.81Å; L486-I572 HydrophobicContact CD1-CD1 4.28Å; L486-I572 HydrophobicContact CD2-CD1 4.11Å; L486-I572 HydrophobicContact CD2-CG2 4.25Å
487N95.1Very high93.5Very high58 Ų5838.6 Ų38.631%0.3120%0.197SC..  trans-86108.8174.4178.7-1.4000110S489 S490 F492N487-S489 PolarHBondContact O-N 3.5Å; N487-S489 WeakPolarHBondContact OD1-CB 3.45Å; N487-S489 PolarHBondContact OD1-N 3.47Å; N487-S490 WeakPolarHBondContact O-CB 3.42Å; N487-S490 PolarHBondContact O-N 3.18Å; N487-S490 VanDerWaalsContact O-N 3.12Å; N487-S490 PolarHBondContact O-OG 3.16Å; N487-F492 WeakPolarHBondContact O-CE1 3.26Å
488P96.3Very high93.3Very high31 Ų3144.1 Ų44.120%0.20122%0.217CC..THydrogen-bonded Turntrans-69.6-12.3-17832.3-37.6000113.5Q468 K471 N472 V475 L486Q468-P488 PolarHBondContact NE2-O 3.09Å; Q468-P488 PolarHBondContact OE1-O 3.31Å; K471-P488 HydrophobicContact CB-CB 4.45Å; K471-P488 WeakPolarHBondContact CE-O 3.39Å; K471-P488 PolarHBondContact NZ-O 3.28Å; K471-P488 VanDerWaalsContact NZ-O 3.11Å; N472-P488 WeakPolarHBondContact OD1-CB 3.32Å; V475-P488 HydrophobicContact CG2-CB 3.89Å; L486-P488 VanDerWaalsContact O-CD 3.31Å; L486-P488 WeakPolarHBondContact O-CD 3.49Å
489S95.6Very high93.3Very high83 Ų8344.3 Ų44.358%0.5822%0.219SC*.THydrogen-bonded Turntrans-84.2-16174.6-54.20000112.9N487N487-S489 PolarHBondContact O-N 3.5Å; N487-S489 WeakPolarHBondContact OD1-CB 3.45Å; N487-S489 PolarHBondContact OD1-N 3.47Å
490S97.4Very high93.4Very high3 Ų342.5 Ų42.52%0.02121%0.211CC..SBendtrans-72.3152.6177.468.80000112.2K471 N487 F492 P529 T531K471-S490 WeakPolarHBondContact CE-O 3.36Å; K471-S490 PolarHBondContact NZ-O 3Å; N487-S490 WeakPolarHBondContact O-CB 3.42Å; N487-S490 PolarHBondContact O-N 3.18Å; N487-S490 VanDerWaalsContact O-N 3.12Å; N487-S490 PolarHBondContact O-OG 3.16Å; S490-F492 PolarHBondContact O-N 3.19Å; S490-P529 CarbonylContact C-O 3.05Å; S490-P529 WeakPolarHBondContact CA-O 3.46Å; S490-P529 VanDerWaalsContact CB-O 3.27Å; S490-P529 WeakPolarHBondContact CB-O 3.38Å; S490-T531 PolarHBondContact OG-OG1 3.19Å
491L98.4Very high93.6Very high0 Ų036.4 Ų36.40%018%0.182CC..EExtended strand (participates in β ladder)trans-63.5119.9170.8-174.8160.7000109D493 P529 R530 T531 D590 L591 V716 Y720L491-D493 HydrophobicContact CD2-CB 3.68Å; L491-D493 PolarHBondContact O-N 3.45Å; L491-P529 PolarHBondContact N-O 3.42Å; L491-R530 HydrophobicContact CB-CG 4.39Å; L491-R530 HydrophobicContact CD2-CG 4.16Å; L491-T531 PolarHBondContact O-N 3.28Å; L491-D590 HydrophobicContact CG-CB 4.32Å; L491-L591 HydrophobicContact CD2-CB 3.94Å; L491-V716 HydrophobicContact CD1-CG1 3.82Å; L491-Y720 HydrophobicContact CB-CD1 4.4Å; L491-Y720 HydrophobicContact CB-CD2 4.38Å; L491-Y720 HydrophobicContact CB-CE1 4.09Å; L491-Y720 HydrophobicContact CB-CE2 4.08Å; L491-Y720 HydrophobicContact CD1-CD1 4.22Å; L491-Y720 HydrophobicContact CD1-CD2 3.62Å; L491-Y720 HydrophobicContact CD1-CE2 4.14Å; L491-Y720 HydrophobicContact CD1-CG 3.66Å; L491-Y720 HydrophobicContact CG-CD2 3.99Å; L491-Y720 HydrophobicContact CG-CE2 3.98Å; L491-Y720 HydrophobicContact CG-CG 4.37Å
492F98.7Very high94.1Very high0 Ų035.5 Ų35.50%018%0.177CC..EExtended strand (participates in β ladder)trans-84.8102.9174.3-80.413.3000110.1K471 F474 V475 L486 N487 S490 V494 T531 I533 A588 D590 L591K471-F492 HydrophobicContact CB-CE2 4.08Å; K471-F492 HydrophobicContact CG-CD2 3.94Å; K471-F492 HydrophobicContact CG-CE2 3.98Å; F474-F492 AromaticContact CD1-CE2 3.86Å; F474-F492 HydrophobicContact CD1-CE2 3.86Å; V475-F492 HydrophobicContact CG2-CE2 4.44Å; V475-F492 HydrophobicContact CG2-CZ 3.81Å; L486-F492 HydrophobicContact CB-CZ 4.46Å; L486-F492 HydrophobicContact CD1-CZ 4.47Å; N487-F492 WeakPolarHBondContact O-CE1 3.26Å; S490-F492 PolarHBondContact O-N 3.19Å; F492-V494 HydrophobicContact CB-CG2 4.4Å; F492-T531 HydrophobicContact CD1-CG2 4.44Å; F492-T531 HydrophobicContact CE1-CG2 4.36Å; F492-I533 HydrophobicContact CD2-CD1 4.37Å; F492-I533 HydrophobicContact CG-CD1 4.42Å; F492-A588 HydrophobicContact CD2-CB 4.32Å; F492-A588 WeakPolarHBondContact CD2-O 3.18Å; F492-D590 PolarHBondContact N-OD2 2.87Å; F492-D590 PolarHBondContact O-N 3.4Å; F492-D590 VanDerWaalsContact O-N 3.08Å; F492-L591 PolarHBondContact O-N 3.39Å
493D98.7Very high94.7Very high1 Ų135.4 Ų35.41%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-101.3109.2-176.6-169.9-15.8000109.6L491 R530 T531 I532 I533 E593 Q713L491-D493 HydrophobicContact CD2-CB 3.68Å; L491-D493 PolarHBondContact O-N 3.45Å; D493-R530 HydrophobicContact CB-CG 4.1Å; D493-R530 IonicContact OD2-CZ 3.18Å; D493-R530 IonicContact OD2-NH1 3.02Å; D493-R530 PolarHBondContact OD2-NH1 3.37Å; D493-T531 PolarHBondContact N-O 3.43Å; D493-I532 HydrophobicContact CB-CG1 4.34Å; D493-I532 CarbonylContact O-C 3.55Å; D493-I532 WeakPolarHBondContact O-CA 3.46Å; D493-I533 PolarHBondContact O-N 2.9Å; D493-E593 VanDerWaalsContact OD1-CG 3.26Å; D493-E593 WeakPolarHBondContact OD1-CG 3.46Å; D493-Q713 PolarHBondContact OD2-NE2 3.25Å
494V98.8Very high95.3Very high0 Ų031.3 Ų31.30%016%0.155CC..EExtended strand (participates in β ladder)trans-125.2120-159.1-175.80000113.1F492 V496 I533 I585 T589 L591 E593 F610F492-V494 HydrophobicContact CB-CG2 4.4Å; V494-V496 HydrophobicContact CG1-CB 4.36Å; V494-V496 HydrophobicContact CG1-CG1 3.71Å; V494-V496 HydrophobicContact CG1-CG2 3.88Å; V494-I533 WeakPolarHBondContact CA-O 3.24Å; V494-I533 HydrophobicContact CG1-CB 4.49Å; V494-I533 HydrophobicContact CG2-CB 4.12Å; V494-I533 HydrophobicContact CG2-CD1 4.15Å; V494-I533 HydrophobicContact CG2-CG1 4.42Å; V494-I585 HydrophobicContact CG1-CD1 4.36Å; V494-I585 HydrophobicContact CG1-CG1 3.78Å; V494-I585 HydrophobicContact CG2-CD1 4.05Å; V494-I585 HydrophobicContact CG2-CG1 4.32Å; V494-T589 HydrophobicContact CB-CG2 3.65Å; V494-T589 HydrophobicContact CG2-CG2 3.61Å; V494-T589 VanDerWaalsContact CG2-OG1 3.31Å; V494-T589 WeakPolarHBondContact CG2-OG1 3.31Å; V494-L591 PolarHBondContact N-O 3.34Å; V494-E593 PolarHBondContact O-N 2.92Å; V494-F610 HydrophobicContact CG1-CE1 4.37Å; V494-F610 HydrophobicContact CG1-CZ 4.1Å
495H98.6Very high95.8Very high6 Ų629.9 Ų29.93%0.02815%0.148CC..EExtended strand (participates in β ladder)trans-115.790.1171.3-170.3101.5000110.6K503 P508 I533 I534 G535 E593H495-K503 PolarHBondContact CE1-O 2.79Å; H495-P508 HydrophobicContact CB-CG 4.28Å; H495-I533 PolarHBondContact N-O 3.45Å; H495-I534 HydrophobicContact CB-CG1 4.31Å; H495-I534 HydrophobicContact CB-CG2 4.43Å; H495-I534 CarbonylContact O-C 3.59Å; H495-I534 VanDerWaalsContact O-CA 3.31Å; H495-I534 WeakPolarHBondContact O-CA 3.27Å; H495-G535 PolarHBondContact O-N 3.2Å; H495-E593 HydrophobicContact CB-CB 3.72Å; H495-E593 HydrophobicContact CB-CG 4.17Å
496V97.4Very high96.1Very high5 Ų523.6 Ų23.63%0.0312%0.119CC..EExtended strand (participates in β ladder)trans-121.1111.1180-64.50000113.3V494 G535 L574 Y577 I585 F610V494-V496 HydrophobicContact CG1-CB 4.36Å; V494-V496 HydrophobicContact CG1-CG1 3.71Å; V494-V496 HydrophobicContact CG1-CG2 3.88Å; V496-G535 VanDerWaalsContact CA-O 3.27Å; V496-G535 WeakPolarHBondContact CA-O 3.22Å; V496-L574 HydrophobicContact CG1-CD2 4.08Å; V496-Y577 HydrophobicContact CB-CD1 4.5Å; V496-Y577 HydrophobicContact CB-CD2 3.87Å; V496-Y577 HydrophobicContact CB-CE1 4.25Å; V496-Y577 HydrophobicContact CB-CE2 3.58Å; V496-Y577 HydrophobicContact CB-CG 4.32Å; V496-Y577 HydrophobicContact CG1-CD2 4.23Å; V496-Y577 HydrophobicContact CG1-CE2 4.25Å; V496-Y577 HydrophobicContact CG2-CD2 4.39Å; V496-Y577 HydrophobicContact CG2-CE2 3.61Å; V496-I585 HydrophobicContact CG2-CG2 4.37Å; V496-F610 HydrophobicContact CG2-CE2 4.07Å; V496-F610 HydrophobicContact CG2-CZ 3.62Å
497K95Very high96.3Very high27 Ų2723 Ų2312%0.11712%0.115CC..SBendtrans-169.7176.4-178.755.3-162.981.7-178.50110.3V499 K503 G535 G536 E593K497-V499 PolarHBondContact O-N 2.87Å; K497-K503 HydrophobicContact CB-CD 4.35Å; K497-K503 HydrophobicContact CD-CB 4.03Å; K497-K503 HydrophobicContact CD-CD 3.75Å; K497-K503 HydrophobicContact CD-CG 4.19Å; K497-K503 HydrophobicContact CG-CD 3.87Å; K497-G535 PolarHBondContact N-O 3.41Å; K497-G536 WeakPolarHBondContact O-CA 3.38Å; K497-E593 WeakPolarHBondContact CE-O 3.19Å; K497-E593 PolarHBondContact NZ-O 3.19Å
498R90.6Very high96.4Very high133 Ų13320.2 Ų20.250%0.50210%0.101SC..  trans-56.2135.8171-173.5177-90.1176.6-2.6109L500 K503 K537R498-L500 HydrophobicContact CB-CD1 4.49Å; R498-L500 HydrophobicContact CG-CD1 4.26Å; R498-L500 HydrophobicContact CG-CD2 4.33Å; R498-L500 HydrophobicContact CG-CG 4.05Å; R498-L500 PolarHBondContact O-N 3.34Å; R498-K503 VanDerWaalsContact O-CD 3.31Å; R498-K503 WeakPolarHBondContact O-CD 3.39Å; R498-K537 WeakPolarHBondContact CG-O 3.25Å
499V92.5Very high96.5Very high5 Ų518.8 Ų18.83%0.039%0.091CC..  trans-79107.7-179.8-176.50000108K497 P505 K537 A538 A545 I548 I549 F573K497-V499 PolarHBondContact O-N 2.87Å; V499-P505 HydrophobicContact CG1-CG 4.16Å; V499-K537 PolarHBondContact N-O 3.36Å; V499-A538 HydrophobicContact CB-CB 4.49Å; V499-A545 HydrophobicContact CG1-CB 4.18Å; V499-A545 WeakPolarHBondContact O-CB 3.49Å; V499-I548 HydrophobicContact CG1-CB 4.4Å; V499-I548 HydrophobicContact CG1-CG2 3.99Å; V499-I549 HydrophobicContact CB-CD1 4.29Å; V499-I549 HydrophobicContact CB-CG1 4.34Å; V499-I549 HydrophobicContact CG1-CD1 4.49Å; V499-I549 HydrophobicContact CG1-CG1 4.06Å; V499-I549 HydrophobicContact CG2-CD1 3.95Å; V499-I549 HydrophobicContact CG2-CG1 3.95Å; V499-F573 HydrophobicContact CG2-CZ 4.35Å
500L92.2Very high96.7Very high28 Ų2815 Ų1515%0.1477%0.065CC..  trans-137.5146.5178.2-61.2172.5000108.1R498 Y502 K503 P505 Y542R498-L500 HydrophobicContact CB-CD1 4.49Å; R498-L500 HydrophobicContact CG-CD1 4.26Å; R498-L500 HydrophobicContact CG-CD2 4.33Å; R498-L500 HydrophobicContact CG-CG 4.05Å; R498-L500 PolarHBondContact O-N 3.34Å; L500-Y502 VanDerWaalsContact C-N 3.33Å; L500-Y502 HydrophobicContact CB-CD1 3.89Å; L500-Y502 HydrophobicContact CB-CE1 3.88Å; L500-Y502 HydrophobicContact CD1-CD1 4.23Å; L500-Y502 HydrophobicContact CD1-CE1 3.38Å; L500-Y502 HydrophobicContact CG-CE1 4.22Å; L500-Y502 PolarHBondContact O-N 3.11Å; L500-K503 HydrophobicContact CB-CD 4.29Å; L500-K503 HydrophobicContact CB-CG 4.3Å; L500-K503 HydrophobicContact CD1-CD 4.24Å; L500-K503 PolarHBondContact O-N 3.48Å; L500-K503 VanDerWaalsContact O-N 3.15Å; L500-P505 WeakPolarHBondContact O-CD 3.39Å; L500-Y542 HydrophobicContact CD2-CD1 3.8Å; L500-Y542 HydrophobicContact CD2-CE1 3.57Å
501E94.7Very high96.7Very high25 Ų2515.1 Ų15.112%0.1177%0.065CC..G310 helixtrans-59.3-42.2-177.5-68.7177.476.600112.2K503 R504 Y542 M544 I548 K693 F700E501-K503 PolarHBondContact O-N 2.8Å; E501-R504 WeakPolarHBondContact O-CA 3.46Å; E501-R504 PolarHBondContact O-N 2.89Å; E501-Y542 VanDerWaalsContact CD-OH 3.23Å; E501-Y542 VanDerWaalsContact CG-OH 3.22Å; E501-Y542 WeakPolarHBondContact CG-OH 3.44Å; E501-Y542 WeakPolarHBondContact OE2-CE2 3.31Å; E501-Y542 PolarHBondContact OE2-OH 2.99Å; E501-M544 HydrophobicContact CG-CB 4.41Å; E501-M544 HydrophobicContact CG-CG 3.82Å; E501-I548 HydrophobicContact CG-CD1 4.03Å; E501-K693 WeakPolarHBondContact OE1-CE 3.3Å; E501-K693 IonicContact OE1-NZ 2.66Å; E501-K693 PolarHBondContact OE1-NZ 3.5Å; E501-K693 IonicContact OE2-NZ 2.85Å; E501-K693 PolarHBondContact OE2-NZ 3.42Å; E501-F700 HydrophobicContact CB-CD2 3.45Å; E501-F700 VanDerWaalsContact CB-CD2 3.45Å; E501-F700 HydrophobicContact CB-CE2 3.32Å; E501-F700 HydrophobicContact CB-CZ 4.38Å; E501-F700 HydrophobicContact CG-CE2 4.4Å
502Y94.6Very high96.7Very high44 Ų4415.1 Ų15.117%0.1737%0.065CC..G310 helixtrans-66-23.6179.881-102.9000114L500 R504 P596 C597 T600L500-Y502 VanDerWaalsContact C-N 3.33Å; L500-Y502 HydrophobicContact CB-CD1 3.89Å; L500-Y502 HydrophobicContact CB-CE1 3.88Å; L500-Y502 HydrophobicContact CD1-CD1 4.23Å; L500-Y502 HydrophobicContact CD1-CE1 3.38Å; L500-Y502 HydrophobicContact CG-CE1 4.22Å; L500-Y502 PolarHBondContact O-N 3.11Å; Y502-R504 PolarHBondContact O-N 3.4Å; Y502-P596 HydrophobicContact CD2-CB 4.29Å; Y502-P596 CarbonylContact O-C 3.56Å; Y502-P596 VanDerWaalsContact O-CA 3.24Å; Y502-P596 WeakPolarHBondContact O-CA 3.18Å; Y502-C597 PolarHBondContact O-N 3.21Å; Y502-T600 WeakPolarHBondContact CD2-OG1 3.38Å
503K96.3Very high96.7Very high18 Ų1815.1 Ų15.18%0.0787%0.065CC..G310 helixtrans-78.1-5.6174.8-68.9-179.2-175.1-69.70112H495 K497 R498 L500 E501 P505 E601H495-K503 PolarHBondContact CE1-O 2.79Å; K497-K503 HydrophobicContact CB-CD 4.35Å; K497-K503 HydrophobicContact CD-CB 4.03Å; K497-K503 HydrophobicContact CD-CD 3.75Å; K497-K503 HydrophobicContact CD-CG 4.19Å; K497-K503 HydrophobicContact CG-CD 3.87Å; R498-K503 VanDerWaalsContact O-CD 3.31Å; R498-K503 WeakPolarHBondContact O-CD 3.39Å; L500-K503 HydrophobicContact CB-CD 4.29Å; L500-K503 HydrophobicContact CB-CG 4.3Å; L500-K503 HydrophobicContact CD1-CD 4.24Å; L500-K503 PolarHBondContact O-N 3.48Å; L500-K503 VanDerWaalsContact O-N 3.15Å; E501-K503 PolarHBondContact O-N 2.8Å; K503-P505 VanDerWaalsContact C-CD 3.48Å; K503-E601 IonicContact NZ-OE1 3.22Å; K503-E601 PolarHBondContact NZ-OE1 3.01Å; K503-E601 IonicContact NZ-OE2 3.43Å; K503-E601 PolarHBondContact NZ-OE2 3.22Å
504R97.8Very high96.7Very high1 Ų115.1 Ų15.10%0.0047%0.065CC..  trans49.649.2173-57-173.8-62.7178.12.7115.7E501 Y502 L506 L507 P508 I595 P596 F700 V702 D705E501-R504 WeakPolarHBondContact O-CA 3.46Å; E501-R504 PolarHBondContact O-N 2.89Å; Y502-R504 PolarHBondContact O-N 3.4Å; R504-L506 PolarHBondContact O-N 3.05Å; R504-L507 HydrophobicContact CB-CD1 3.91Å; R504-L507 HydrophobicContact CB-CG 4.14Å; R504-L507 PolarHBondContact O-N 3.47Å; R504-P508 WeakPolarHBondContact O-CD 3.45Å; R504-I595 VanDerWaalsContact CZ-O 3.23Å; R504-I595 PolarHBondContact NE-O 3.12Å; R504-I595 PolarHBondContact NH2-O 2.7Å; R504-I595 WeakPolarHBondContact O-CD1 3.31Å; R504-P596 PolarHBondContact NH2-O 3.28Å; R504-F700 WeakPolarHBondContact CD-O 3.21Å; R504-F700 HydrophobicContact CG-CB 4.39Å; R504-V702 HydrophobicContact CB-CG2 4.44Å; R504-V702 HydrophobicContact CG-CG2 3.99Å; R504-D705 IonicContact CZ-OD2 2.72Å; R504-D705 IonicContact NH1-OD2 3.7Å; R504-D705 PolarHBondContact NH1-OD2 2.74Å; R504-D705 IonicContact NH2-OD2 2.93Å
505P97.7Very high96.7Very high2 Ų215.5 Ų15.51%0.0137%0.066CC..THydrogen-bonded Turntrans-59.8-16170.330.4-39.4000113.2V499 L500 K503 L507 P508 C509 I534 I548 I552V499-P505 HydrophobicContact CG1-CG 4.16Å; L500-P505 WeakPolarHBondContact O-CD 3.39Å; K503-P505 VanDerWaalsContact C-CD 3.48Å; P505-L507 VanDerWaalsContact C-N 3.33Å; P505-P508 WeakPolarHBondContact O-CD 3.4Å; P505-P508 WeakPolarHBondContact O-CG 2.9Å; P505-C509 PolarHBondContact O-N 3.39Å; P505-I534 HydrophobicContact CB-CG2 4.29Å; P505-I548 HydrophobicContact CB-CG2 4.27Å; P505-I548 HydrophobicContact CG-CG2 3.63Å; P505-I552 HydrophobicContact CB-CD1 4.38Å
506L97.7Very high96.6Very high12 Ų1215.5 Ų15.56%0.0637%0.066CC..Hα-helixtrans-66.9-28.9172.9-72.5169.8000113.3R504 C509 L510 I548 L551 L690 L694 V702R504-L506 PolarHBondContact O-N 3.05Å; L506-C509 WeakPolarHBondContact O-CB 3.29Å; L506-C509 PolarHBondContact O-N 3.11Å; L506-L510 WeakPolarHBondContact O-CB 3.43Å; L506-L510 VanDerWaalsContact O-CG 3.26Å; L506-L510 WeakPolarHBondContact O-CG 3.48Å; L506-L510 PolarHBondContact O-N 2.85Å; L506-I548 HydrophobicContact CD1-CD1 4.06Å; L506-I548 HydrophobicContact CD1-CG1 4.14Å; L506-I548 HydrophobicContact CD2-CG1 4.08Å; L506-I548 HydrophobicContact CD2-CG2 4.39Å; L506-I548 HydrophobicContact CG-CD1 4.17Å; L506-I548 HydrophobicContact CG-CG1 4.05Å; L506-I548 HydrophobicContact CG-CG2 4.44Å; L506-L551 HydrophobicContact CD2-CD2 3.82Å; L506-L690 HydrophobicContact CD1-CD1 4.07Å; L506-L690 HydrophobicContact CD2-CD2 4.35Å; L506-L694 HydrophobicContact CD1-CD1 4.21Å; L506-L694 HydrophobicContact CD1-CD2 4.02Å; L506-V702 HydrophobicContact CB-CG1 4.31Å
507L98.3Very high96.7Very high0 Ų016.3 Ų16.30%07%0.07CC..Hα-helixtrans-61.5-54.5178-79.2174.8000112.5R504 P505 C509 L510 Y511 I595 F640 V702 Y709R504-L507 HydrophobicContact CB-CD1 3.91Å; R504-L507 HydrophobicContact CB-CG 4.14Å; R504-L507 PolarHBondContact O-N 3.47Å; P505-L507 VanDerWaalsContact C-N 3.33Å; L507-C509 PolarHBondContact O-N 3.38Å; L507-L510 PolarHBondContact O-N 3.48Å; L507-Y511 PolarHBondContact O-N 2.91Å; L507-I595 HydrophobicContact CB-CD1 3.82Å; L507-I595 HydrophobicContact CD1-CD1 4.16Å; L507-F640 HydrophobicContact CD1-CE2 4.28Å; L507-F640 HydrophobicContact CD1-CZ 4.31Å; L507-V702 HydrophobicContact CD2-CG1 3.96Å; L507-V702 HydrophobicContact CG-CG1 4.21Å; L507-Y709 HydrophobicContact CB-CD1 4.04Å; L507-Y709 HydrophobicContact CB-CE1 3.86Å; L507-Y709 HydrophobicContact CD2-CD1 4.1Å; L507-Y709 HydrophobicContact CD2-CG 4.47Å; L507-Y709 WeakPolarHBondContact O-CE1 3.34Å
508P98.4Very high96.8Very high1 Ų119.1 Ų19.11%0.0068%0.08CC..Hα-helixtrans-64.5-27.1175.921.9-32.1000112.5H495 R504 P505 A512 I532 I534 I595 Y709H495-P508 HydrophobicContact CB-CG 4.28Å; R504-P508 WeakPolarHBondContact O-CD 3.45Å; P505-P508 WeakPolarHBondContact O-CD 3.4Å; P505-P508 WeakPolarHBondContact O-CG 2.9Å; P508-A512 PolarHBondContact O-N 2.9Å; P508-I532 HydrophobicContact CB-CG2 4.35Å; P508-I534 HydrophobicContact CB-CD1 4.15Å; P508-I534 HydrophobicContact CG-CD1 3.95Å; P508-I534 HydrophobicContact CG-CG1 4.36Å; P508-I595 VanDerWaalsContact CD-CD1 3.46Å; P508-I595 HydrophobicContact CG-CD1 4.22Å; P508-Y709 WeakPolarHBondContact CA-OH 3.41Å
509C98.3Very high97.1Very high1 Ų112.8 Ų12.81%0.0076%0.057CC..Hα-helixtrans-66.9-47.5171.8-1730000112P505 L506 L507 Y511 A512 I513 I534 I552P505-C509 PolarHBondContact O-N 3.39Å; L506-C509 WeakPolarHBondContact O-CB 3.29Å; L506-C509 PolarHBondContact O-N 3.11Å; L507-C509 PolarHBondContact O-N 3.38Å; C509-Y511 VanDerWaalsContact C-N 3.31Å; C509-Y511 PolarHBondContact O-N 2.92Å; C509-A512 WeakPolarHBondContact O-CB 3.46Å; C509-A512 PolarHBondContact O-N 3.5Å; C509-A512 VanDerWaalsContact O-N 3.15Å; C509-I513 WeakPolarHBondContact O-CG1 3.47Å; C509-I513 PolarHBondContact O-N 3.04Å; C509-I534 HydrophobicContact CB-CD1 4.37Å; C509-I552 HydrophobicContact CB-CG1 4.08Å
510L98.5Very high97.3Very high3 Ų316.7 Ų16.72%0.0167%0.073CC..Hα-helixtrans-63.3-37175-71.4170.7000111.6L506 L507 I513 T514 L667 C670 L671 I674 V702 Y706L506-L510 WeakPolarHBondContact O-CB 3.43Å; L506-L510 VanDerWaalsContact O-CG 3.26Å; L506-L510 WeakPolarHBondContact O-CG 3.48Å; L506-L510 PolarHBondContact O-N 2.85Å; L507-L510 PolarHBondContact O-N 3.48Å; L510-I513 HydrophobicContact CD2-CD1 4.49Å; L510-I513 PolarHBondContact O-N 2.9Å; L510-T514 WeakPolarHBondContact O-CB 3.13Å; L510-T514 PolarHBondContact O-N 3.46Å; L510-T514 PolarHBondContact O-OG1 3.29Å; L510-L667 HydrophobicContact CD1-CD1 4.2Å; L510-C670 HydrophobicContact CD2-CB 3.82Å; L510-L671 HydrophobicContact CD2-CD2 4.23Å; L510-I674 HydrophobicContact CD2-CD1 4.14Å; L510-V702 HydrophobicContact CD1-CG1 3.75Å; L510-Y706 HydrophobicContact CB-CD2 4.21Å; L510-Y706 HydrophobicContact CB-CE2 4.02Å; L510-Y706 HydrophobicContact CD1-CD2 4.34Å
511Y98.6Very high97.5Very high5 Ų519.7 Ų19.72%0.0210%0.102CC..Hα-helixtrans-60.8-46.1171.3172.4-92.7000111.4L507 C509 I513 T514 M515 R530 I532 Y709 M710 Q713L507-Y511 PolarHBondContact O-N 2.91Å; C509-Y511 VanDerWaalsContact C-N 3.31Å; C509-Y511 PolarHBondContact O-N 2.92Å; Y511-I513 VanDerWaalsContact C-N 3.34Å; Y511-I513 PolarHBondContact O-N 3.19Å; Y511-T514 WeakPolarHBondContact O-CB 3.5Å; Y511-T514 PolarHBondContact O-N 2.88Å; Y511-T514 VanDerWaalsContact O-N 3.17Å; Y511-M515 HydrophobicContact CD1-CG 4.25Å; Y511-M515 HydrophobicContact CD2-CG 4.33Å; Y511-M515 HydrophobicContact CE1-CG 3.75Å; Y511-M515 HydrophobicContact CE2-CG 3.84Å; Y511-M515 HydrophobicContact CE2-SD 4.05Å; Y511-M515 WeakPolarHBondContact O-CG 3.15Å; Y511-M515 PolarHBondContact O-N 2.98Å; Y511-R530 PolarHBondContact OH-NE 3.2Å; Y511-R530 PolarHBondContact OH-NH1 3.31Å; Y511-R530 PolarHBondContact OH-NH2 3.43Å; Y511-I532 HydrophobicContact CD1-CD1 3.68Å; Y511-I532 HydrophobicContact CE1-CD1 3.9Å; Y511-Y709 HydrophobicContact CG-CE1 4.49Å; Y511-M710 HydrophobicContact CD2-CE 3.73Å; Y511-M710 HydrophobicContact CD2-SD 3.62Å; Y511-M710 HydrophobicContact CE2-CE 4.06Å; Y511-M710 HydrophobicContact CE2-SD 4.48Å; Y511-M710 HydrophobicContact CG-SD 4.45Å; Y511-Q713 HydrophobicContact CD2-CB 3.94Å; Y511-Q713 HydrophobicContact CD2-CG 3.79Å; Y511-Q713 HydrophobicContact CE2-CB 3.54Å; Y511-Q713 HydrophobicContact CE2-CG 3.82Å; Y511-Q713 HydrophobicContact CG-CG 4.43Å
512A98.4Very high97.6Very high0 Ų022.4 Ų22.40%012%0.117CC..Hα-helixtrans-58.6-44.5175.900000112P508 C509 M515 Y516 I532 I559 L571P508-A512 PolarHBondContact O-N 2.9Å; C509-A512 WeakPolarHBondContact O-CB 3.46Å; C509-A512 PolarHBondContact O-N 3.5Å; C509-A512 VanDerWaalsContact O-N 3.15Å; A512-M515 PolarHBondContact O-N 3.02Å; A512-Y516 WeakPolarHBondContact O-CB 3.48Å; A512-Y516 PolarHBondContact O-N 3.13Å; A512-I532 HydrophobicContact CB-CD1 3.65Å; A512-I559 HydrophobicContact CB-CD1 4.04Å; A512-L571 HydrophobicContact CB-CD2 3.99Å
513I98.5Very high97.6Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-60.7-45175-66170.2000111C509 L510 Y511 M515 Y516 N517 V555 C670 I674 Y679C509-I513 WeakPolarHBondContact O-CG1 3.47Å; C509-I513 PolarHBondContact O-N 3.04Å; L510-I513 HydrophobicContact CD2-CD1 4.49Å; L510-I513 PolarHBondContact O-N 2.9Å; Y511-I513 VanDerWaalsContact C-N 3.34Å; Y511-I513 PolarHBondContact O-N 3.19Å; I513-M515 PolarHBondContact O-N 3.24Å; I513-Y516 WeakPolarHBondContact O-CB 3.32Å; I513-Y516 PolarHBondContact O-N 2.94Å; I513-N517 WeakPolarHBondContact CG2-ND2 3.37Å; I513-N517 WeakPolarHBondContact O-CB 3.38Å; I513-N517 VanDerWaalsContact O-CG 3.3Å; I513-N517 PolarHBondContact O-N 3.32Å; I513-N517 PolarHBondContact O-ND2 3.48Å; I513-V555 HydrophobicContact CD1-CG1 4.48Å; I513-V555 HydrophobicContact CD1-CG2 3.93Å; I513-V555 HydrophobicContact CG1-CG1 3.72Å; I513-V555 HydrophobicContact CG1-CG2 4.06Å; I513-C670 HydrophobicContact CB-CB 4.48Å; I513-C670 HydrophobicContact CG2-CB 3.8Å; I513-C670 WeakPolarHBondContact CG2-SG 3.45Å; I513-I674 HydrophobicContact CD1-CD1 3.99Å; I513-I674 HydrophobicContact CD1-CG1 4.24Å; I513-Y679 HydrophobicContact CD1-CE2 3.84Å; I513-Y679 HydrophobicContact CG1-CE1 4.44Å; I513-Y679 HydrophobicContact CG1-CE2 4.31Å; I513-Y679 WeakPolarHBondContact CG1-OH 3.32Å; I513-Y679 WeakPolarHBondContact CG2-OH 3.37Å
514T98.4Very high97.4Very high1 Ų129.6 Ų29.61%0.00616%0.157CC..Hα-helixtrans-61.2-46.6-179.9-54.50000110.8L510 Y511 Y516 N517 R518 E666 C670 Y706 M710L510-T514 WeakPolarHBondContact O-CB 3.13Å; L510-T514 PolarHBondContact O-N 3.46Å; L510-T514 PolarHBondContact O-OG1 3.29Å; Y511-T514 WeakPolarHBondContact O-CB 3.5Å; Y511-T514 PolarHBondContact O-N 2.88Å; Y511-T514 VanDerWaalsContact O-N 3.17Å; T514-Y516 VanDerWaalsContact C-N 3.34Å; T514-Y516 PolarHBondContact O-N 2.75Å; T514-N517 PolarHBondContact O-N 2.77Å; T514-R518 WeakPolarHBondContact O-CG 3.02Å; T514-R518 PolarHBondContact O-N 2.77Å; T514-E666 HydrophobicContact CG2-CB 4.3Å; T514-C670 PolarHBondContact OG1-SG 2.98Å; T514-C670 VanDerWaalsContact OG1-SG 3.35Å; T514-Y706 WeakPolarHBondContact CG2-OH 3.42Å; T514-Y706 PolarHBondContact OG1-OH 3.07Å; T514-M710 HydrophobicContact CG2-CE 3.65Å; T514-M710 HydrophobicContact CG2-SD 4.44Å
515M97.9Very high97.2Very high8 Ų831.5 Ų31.54%0.03917%0.167CC..Hα-helixtrans-65.6-38177.7-65.9-51.4-64.700112.1Y511 A512 I513 R518 L519 M525 M527 L569Y511-M515 HydrophobicContact CD1-CG 4.25Å; Y511-M515 HydrophobicContact CD2-CG 4.33Å; Y511-M515 HydrophobicContact CE1-CG 3.75Å; Y511-M515 HydrophobicContact CE2-CG 3.84Å; Y511-M515 HydrophobicContact CE2-SD 4.05Å; Y511-M515 WeakPolarHBondContact O-CG 3.15Å; Y511-M515 PolarHBondContact O-N 2.98Å; A512-M515 PolarHBondContact O-N 3.02Å; I513-M515 PolarHBondContact O-N 3.24Å; M515-R518 PolarHBondContact O-N 2.91Å; M515-L519 WeakPolarHBondContact O-CB 3.44Å; M515-L519 WeakPolarHBondContact O-CG 3.5Å; M515-L519 PolarHBondContact O-N 3.08Å; M515-M525 HydrophobicContact CE-CE 3.95Å; M515-M527 HydrophobicContact CE-CE 3.76Å; M515-M527 HydrophobicContact CE-SD 4.02Å; M515-L569 HydrophobicContact CB-CD1 4.44Å; M515-L569 HydrophobicContact CB-CD2 3.89Å
516Y98Very high96.9Very high6 Ų641 Ų412%0.02421%0.208CC..Hα-helixtrans-59.5-49.8171.8176.7-107.4000111.3A512 I513 T514 R518 L519 K520 I558 I559 D562 T565 Y678A512-Y516 WeakPolarHBondContact O-CB 3.48Å; A512-Y516 PolarHBondContact O-N 3.13Å; I513-Y516 WeakPolarHBondContact O-CB 3.32Å; I513-Y516 PolarHBondContact O-N 2.94Å; T514-Y516 VanDerWaalsContact C-N 3.34Å; T514-Y516 PolarHBondContact O-N 2.75Å; Y516-R518 PolarHBondContact O-N 3.45Å; Y516-L519 WeakPolarHBondContact O-CB 3.38Å; Y516-L519 PolarHBondContact O-N 3.39Å; Y516-L519 VanDerWaalsContact O-N 3.15Å; Y516-K520 HydrophobicContact CD1-CG 4.33Å; Y516-K520 HydrophobicContact CD2-CG 4.44Å; Y516-K520 HydrophobicContact CE1-CD 4.42Å; Y516-K520 HydrophobicContact CE1-CG 3.92Å; Y516-K520 HydrophobicContact CE2-CD 3.95Å; Y516-K520 HydrophobicContact CE2-CG 4.04Å; Y516-K520 WeakPolarHBondContact O-CG 3.27Å; Y516-K520 PolarHBondContact O-N 2.98Å; Y516-I558 HydrophobicContact CE1-CG2 4.12Å; Y516-I559 HydrophobicContact CD2-CG1 4.02Å; Y516-I559 HydrophobicContact CG-CG1 4.18Å; Y516-D562 HydrophobicContact CE2-CB 3.87Å; Y516-D562 WeakPolarHBondContact CE2-OD2 3.48Å; Y516-D562 PolarHBondContact OH-OD2 3.34Å; Y516-T565 HydrophobicContact CD2-CG2 3.63Å; Y516-T565 HydrophobicContact CE2-CG2 3.86Å; Y516-Y678 HydrophobicContact CE1-CE1 4.04Å; Y516-Y678 PolarHBondContact OH-OH 3.17Å
517N97.9Very high96.7Very high22 Ų2241.6 Ų41.612%0.11821%0.21CC..Hα-helixtrans-61.2-41.3178.6-71.4-24.3000112.5I513 T514 K520 A521 L669 Q673I513-N517 WeakPolarHBondContact CG2-ND2 3.37Å; I513-N517 WeakPolarHBondContact O-CB 3.38Å; I513-N517 VanDerWaalsContact O-CG 3.3Å; I513-N517 PolarHBondContact O-N 3.32Å; I513-N517 PolarHBondContact O-ND2 3.48Å; T514-N517 PolarHBondContact O-N 2.77Å; N517-K520 PolarHBondContact O-N 2.89Å; N517-A521 WeakPolarHBondContact O-CB 3.18Å; N517-A521 PolarHBondContact O-N 3.15Å; N517-L669 HydrophobicContact CB-CD2 4.17Å; N517-Q673 PolarHBondContact ND2-OE1 3.35Å; N517-Q673 PolarHBondContact OD1-NE2 2.92Å; N517-Q673 PolarHBondContact OD1-OE1 3.27Å
518R97.6Very high96.5Very high87 Ų8742.2 Ų42.233%0.32822%0.215SC..Hα-helixtrans-61.9-42.4174.2-72.3176.3-179.8-177.8-0.1112.1T514 M515 Y516 A521 N522 M525 E666T514-R518 WeakPolarHBondContact O-CG 3.02Å; T514-R518 PolarHBondContact O-N 2.77Å; M515-R518 PolarHBondContact O-N 2.91Å; Y516-R518 PolarHBondContact O-N 3.45Å; R518-A521 PolarHBondContact O-N 3.16Å; R518-N522 PolarHBondContact O-N 3.03Å; R518-M525 HydrophobicContact CB-CE 3.92Å; R518-M525 HydrophobicContact CB-SD 3.98Å; R518-E666 IonicContact CZ-OE1 3.9Å; R518-E666 VanDerWaalsContact CZ-OE1 3.29Å; R518-E666 IonicContact CZ-OE2 3.53Å; R518-E666 IonicContact NE-OE1 3.45Å; R518-E666 PolarHBondContact NE-OE1 3.27Å; R518-E666 IonicContact NE-OE2 2.79Å; R518-E666 VanDerWaalsContact NH2-CD 3.29Å; R518-E666 IonicContact NH2-OE1 2.72Å; R518-E666 PolarHBondContact NH2-OE1 3.15Å; R518-E666 IonicContact NH2-OE2 3.79Å; R518-E666 PolarHBondContact NH2-OE2 2.95Å
519L96.9Very high96.4Very high0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-64.8-37.7174.6-77.7170000112.2M515 Y516 N522 P523 M525 M527 I564 K568 L569M515-L519 WeakPolarHBondContact O-CB 3.44Å; M515-L519 WeakPolarHBondContact O-CG 3.5Å; M515-L519 PolarHBondContact O-N 3.08Å; Y516-L519 WeakPolarHBondContact O-CB 3.38Å; Y516-L519 PolarHBondContact O-N 3.39Å; Y516-L519 VanDerWaalsContact O-N 3.15Å; L519-N522 CarbonylContact O-C 3.53Å; L519-N522 PolarHBondContact O-N 3.1Å; L519-P523 VanDerWaalsContact O-CA 3.22Å; L519-P523 WeakPolarHBondContact O-CA 3.2Å; L519-M525 HydrophobicContact CD2-CE 3.8Å; L519-M525 HydrophobicContact CG-CE 3.83Å; L519-M527 HydrophobicContact CD1-SD 3.85Å; L519-M527 HydrophobicContact CD2-SD 3.9Å; L519-M527 HydrophobicContact CG-SD 4.04Å; L519-I564 HydrophobicContact CB-CG2 4.1Å; L519-K568 HydrophobicContact CD1-CB 4.43Å; L519-K568 HydrophobicContact CD2-CD 3.84Å; L519-L569 HydrophobicContact CD1-CB 4Å; L519-L569 HydrophobicContact CD1-CD2 4.31Å
520K96.5Very high96.4Very high87 Ų8744.4 Ų44.438%0.37823%0.229SC..Hα-helixtrans-66.3-38.7174.6-66-62.1-71.2-167.10112.3Y516 N517 D562 I564Y516-K520 HydrophobicContact CD1-CG 4.33Å; Y516-K520 HydrophobicContact CD2-CG 4.44Å; Y516-K520 HydrophobicContact CE1-CD 4.42Å; Y516-K520 HydrophobicContact CE1-CG 3.92Å; Y516-K520 HydrophobicContact CE2-CD 3.95Å; Y516-K520 HydrophobicContact CE2-CG 4.04Å; Y516-K520 WeakPolarHBondContact O-CG 3.27Å; Y516-K520 PolarHBondContact O-N 2.98Å; N517-K520 PolarHBondContact O-N 2.89Å; K520-D562 VanDerWaalsContact CD-OD2 3.3Å; K520-D562 WeakPolarHBondContact CD-OD2 3.48Å; K520-D562 WeakPolarHBondContact CE-OD2 3.46Å; K520-D562 IonicContact NZ-OD1 3.05Å; K520-D562 IonicContact NZ-OD2 3.72Å; K520-D562 PolarHBondContact NZ-OD2 2.97Å; K520-I564 HydrophobicContact CD-CD1 3.89Å
521A96.9Very high96.4Very high91 Ų9144.4 Ų44.475%0.75223%0.229SC*.Hα-helixtrans-71.9-33.6177.200000112.7N517 R518N517-A521 WeakPolarHBondContact O-CB 3.18Å; N517-A521 PolarHBondContact O-N 3.15Å; R518-A521 PolarHBondContact O-N 3.16Å
522N96.8Very high96.4Very high82 Ų8244.2 Ų44.244%0.43923%0.228SC..  trans-140.788.8176.8-178.77.5000110.9R518 L519 E524 M525R518-N522 PolarHBondContact O-N 3.03Å; L519-N522 CarbonylContact O-C 3.53Å; L519-N522 PolarHBondContact O-N 3.1Å; N522-E524 PolarHBondContact O-N 3.18Å; N522-E524 VanDerWaalsContact O-N 3.15Å; N522-E524 PolarHBondContact OD1-N 3.21Å; N522-M525 HydrophobicContact CB-CB 4.29Å; N522-M525 WeakPolarHBondContact O-CB 3.46Å; N522-M525 PolarHBondContact O-N 2.79Å; N522-M525 PolarHBondContact OD1-N 3.17Å
523P94Very high96.4Very high54 Ų5444.2 Ų44.235%0.35123%0.228SC..THydrogen-bonded Turntrans-58.5-27.2-179.8-28.336.8000114.2L519 M525 I564 K568L519-P523 VanDerWaalsContact O-CA 3.22Å; L519-P523 WeakPolarHBondContact O-CA 3.2Å; P523-M525 VanDerWaalsContact C-N 3.28Å; P523-M525 PolarHBondContact O-N 2.72Å; P523-I564 HydrophobicContact CB-CG2 4.17Å; P523-I564 HydrophobicContact CG-CD1 4.41Å; P523-K568 PolarHBondContact O-NZ 2.78Å
524E92.9Very high96.4Very high159 Ų15944.3 Ų44.374%0.74323%0.229SC*.THydrogen-bonded Turntrans-85.54.6178.7-62-54.7136.500113.5N522 K526N522-E524 PolarHBondContact O-N 3.18Å; N522-E524 VanDerWaalsContact O-N 3.15Å; N522-E524 PolarHBondContact OD1-N 3.21Å; E524-K526 PolarHBondContact O-N 2.9Å; E524-K526 VanDerWaalsContact O-N 3.16Å
525M93.3Very high96.1Very high40 Ų4044.3 Ų44.320%0.19723%0.229CC..  trans-56.3121.8177.8-177.7-179.969.100110.8M515 R518 L519 N522 P523 M527M515-M525 HydrophobicContact CE-CE 3.95Å; R518-M525 HydrophobicContact CB-CE 3.92Å; R518-M525 HydrophobicContact CB-SD 3.98Å; L519-M525 HydrophobicContact CD2-CE 3.8Å; L519-M525 HydrophobicContact CG-CE 3.83Å; N522-M525 HydrophobicContact CB-CB 4.29Å; N522-M525 WeakPolarHBondContact O-CB 3.46Å; N522-M525 PolarHBondContact O-N 2.79Å; N522-M525 PolarHBondContact OD1-N 3.17Å; P523-M525 VanDerWaalsContact C-N 3.28Å; P523-M525 PolarHBondContact O-N 2.72Å; M525-M527 HydrophobicContact CE-CB 4.39Å; M525-M527 HydrophobicContact CE-SD 3.99Å; M525-M527 PolarHBondContact O-N 3.36Å
526K91Very high95.8Very high201 Ų20144 Ų4487%0.87423%0.227SC*.  trans-75.8117.3171.6-66.6-176180179.70109.4E524E524-K526 PolarHBondContact O-N 2.9Å; E524-K526 VanDerWaalsContact O-N 3.16Å
527M93.2Very high95.3Very high25 Ų2548.2 Ų48.212%0.12325%0.246CC..  trans-135.9158.4173.864.9177.2-73.900110.7M515 L519 M525 P529 K568M515-M527 HydrophobicContact CE-CE 3.76Å; M515-M527 HydrophobicContact CE-SD 4.02Å; L519-M527 HydrophobicContact CD1-SD 3.85Å; L519-M527 HydrophobicContact CD2-SD 3.9Å; L519-M527 HydrophobicContact CG-SD 4.04Å; M525-M527 HydrophobicContact CE-CB 4.39Å; M525-M527 HydrophobicContact CE-SD 3.99Å; M525-M527 PolarHBondContact O-N 3.36Å; M527-P529 WeakPolarHBondContact O-CD 3.49Å; M527-K568 HydrophobicContact CG-CB 4.43Å; M527-K568 HydrophobicContact SD-CB 4.19Å
528C94.4Very high94.7Very high13 Ų1347.6 Ų47.69%0.08824%0.244CC..  trans-67.6125.8167-177.70000109.6R530 E717 Y720C528-R530 PolarHBondContact O-N 3.3Å; C528-E717 HydrophobicContact CB-CG 3.88Å; C528-E717 PolarHBondContact N-OE1 3.13Å; C528-Y720 WeakPolarHBondContact SG-CD1 3.39Å; C528-Y720 VanDerWaalsContact SG-CE1 3.56Å
529P97.2Very high93.8Very high47 Ų4745.4 Ų45.431%0.30524%0.244SC..  trans-53129.9172.8-29.537.9000111.3S490 L491 M527 G567 K568S490-P529 CarbonylContact C-O 3.05Å; S490-P529 WeakPolarHBondContact CA-O 3.46Å; S490-P529 VanDerWaalsContact CB-O 3.27Å; S490-P529 WeakPolarHBondContact CB-O 3.38Å; L491-P529 PolarHBondContact N-O 3.42Å; M527-P529 WeakPolarHBondContact O-CD 3.49Å; P529-G567 WeakPolarHBondContact CB-O 3.35Å; P529-K568 CarbonylContact C-O 3.12Å; P529-K568 VanDerWaalsContact CA-O 3.29Å; P529-K568 WeakPolarHBondContact CA-O 3.29Å
530R98Very high92.6Very high1 Ų148.6 Ų48.60%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-134133.5-175.3-166.6177.5-72.6-1516.6112.4L491 D493 Y511 C528 I532 K568 L569 K570 Q713L491-R530 HydrophobicContact CB-CG 4.39Å; L491-R530 HydrophobicContact CD2-CG 4.16Å; D493-R530 HydrophobicContact CB-CG 4.1Å; D493-R530 IonicContact OD2-CZ 3.18Å; D493-R530 IonicContact OD2-NH1 3.02Å; D493-R530 PolarHBondContact OD2-NH1 3.37Å; Y511-R530 PolarHBondContact OH-NE 3.2Å; Y511-R530 PolarHBondContact OH-NH1 3.31Å; Y511-R530 PolarHBondContact OH-NH2 3.43Å; C528-R530 PolarHBondContact O-N 3.3Å; R530-I532 HydrophobicContact CG-CG1 4.14Å; R530-K568 PolarHBondContact N-O 2.97Å; R530-L569 WeakPolarHBondContact O-CA 3.19Å; R530-K570 PolarHBondContact O-N 2.84Å; R530-Q713 VanDerWaalsContact NH1-CD 3.31Å
531T98.4Very high91.4Very high3 Ų347.2 Ų47.22%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-110.7107.3169.8-61.40000108.6L486 S490 L491 F492 D493 I533 K570L486-T531 HydrophobicContact CD2-CG2 3.93Å; S490-T531 PolarHBondContact OG-OG1 3.19Å; L491-T531 PolarHBondContact O-N 3.28Å; F492-T531 HydrophobicContact CD1-CG2 4.44Å; F492-T531 HydrophobicContact CE1-CG2 4.36Å; D493-T531 PolarHBondContact N-O 3.43Å; T531-I533 HydrophobicContact CG2-CD1 4.08Å; T531-I533 HydrophobicContact CG2-CG1 3.8Å; T531-K570 CarbonylContact C-O 3.16Å; T531-K570 WeakPolarHBondContact CA-O 3.49Å
532I98.6Very high90.7Very high2 Ų246.1 Ų46.11%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-88.4121.2176.7-55.1167.8000108.5D493 P508 Y511 A512 R530 I534 L569 K570 L571 I572D493-I532 HydrophobicContact CB-CG1 4.34Å; D493-I532 CarbonylContact O-C 3.55Å; D493-I532 WeakPolarHBondContact O-CA 3.46Å; P508-I532 HydrophobicContact CB-CG2 4.35Å; Y511-I532 HydrophobicContact CD1-CD1 3.68Å; Y511-I532 HydrophobicContact CE1-CD1 3.9Å; A512-I532 HydrophobicContact CB-CD1 3.65Å; R530-I532 HydrophobicContact CG-CG1 4.14Å; I532-I534 HydrophobicContact CG2-CG1 4.2Å; I532-L569 HydrophobicContact CD1-CD1 3.95Å; I532-K570 PolarHBondContact N-O 3.45Å; I532-L571 HydrophobicContact CB-CD1 3.78Å; I532-L571 HydrophobicContact CG2-CD1 3.59Å; I532-L571 CarbonylContact O-C 3.55Å; I532-L571 WeakPolarHBondContact O-CA 3.25Å; I532-I572 PolarHBondContact O-N 2.96Å
533I98.2Very high90.2Very high0 Ų047.4 Ų47.40%026%0.256CS..EExtended strand (participates in β ladder)trans-120.2102.3-175.1-52.2177.9000108.1F474 F492 D493 V494 H495 T531 I572 L574 I585F474-I533 HydrophobicContact CE1-CD1 4.01Å; F492-I533 HydrophobicContact CD2-CD1 4.37Å; F492-I533 HydrophobicContact CG-CD1 4.42Å; D493-I533 PolarHBondContact O-N 2.9Å; V494-I533 WeakPolarHBondContact CA-O 3.24Å; V494-I533 HydrophobicContact CG1-CB 4.49Å; V494-I533 HydrophobicContact CG2-CB 4.12Å; V494-I533 HydrophobicContact CG2-CD1 4.15Å; V494-I533 HydrophobicContact CG2-CG1 4.42Å; H495-I533 PolarHBondContact N-O 3.45Å; T531-I533 HydrophobicContact CG2-CD1 4.08Å; T531-I533 HydrophobicContact CG2-CG1 3.8Å; I533-I572 HydrophobicContact CB-CD1 4.39Å; I533-I572 HydrophobicContact CB-CG1 4.11Å; I533-I572 HydrophobicContact CD1-CD1 4.28Å; I533-I572 HydrophobicContact CG1-CD1 3.88Å; I533-I572 HydrophobicContact CG1-CG1 3.83Å; I533-I572 HydrophobicContact CG2-CD1 4Å; I533-I572 HydrophobicContact CG2-CG1 3.98Å; I533-L574 HydrophobicContact CG2-CB 3.93Å; I533-L574 HydrophobicContact CG2-CD2 4.26Å; I533-I585 HydrophobicContact CD1-CD1 3.72Å; I533-I585 HydrophobicContact CG2-CD1 4.44Å
534I97.9Very high90Very high1 Ų145.9 Ų45.91%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-100.4135.9173.7-54.1176.4000108.1H495 P505 P508 C509 I532 I552 L571 I572 F573 L574H495-I534 HydrophobicContact CB-CG1 4.31Å; H495-I534 HydrophobicContact CB-CG2 4.43Å; H495-I534 CarbonylContact O-C 3.59Å; H495-I534 VanDerWaalsContact O-CA 3.31Å; H495-I534 WeakPolarHBondContact O-CA 3.27Å; P505-I534 HydrophobicContact CB-CG2 4.29Å; P508-I534 HydrophobicContact CB-CD1 4.15Å; P508-I534 HydrophobicContact CG-CD1 3.95Å; P508-I534 HydrophobicContact CG-CG1 4.36Å; C509-I534 HydrophobicContact CB-CD1 4.37Å; I532-I534 HydrophobicContact CG2-CG1 4.2Å; I534-I552 HydrophobicContact CB-CD1 4.45Å; I534-I552 HydrophobicContact CB-CG2 4.32Å; I534-I552 HydrophobicContact CD1-CD1 4.02Å; I534-I552 HydrophobicContact CD1-CG1 4.14Å; I534-I552 HydrophobicContact CD1-CG2 4.05Å; I534-I552 HydrophobicContact CG2-CD1 3.85Å; I534-L571 HydrophobicContact CD1-CD1 4.04Å; I534-L571 HydrophobicContact CG1-CD1 4.24Å; I534-I572 PolarHBondContact N-O 3.36Å; I534-F573 HydrophobicContact CB-CD2 4.45Å; I534-F573 HydrophobicContact CG2-CD2 4.38Å; I534-F573 HydrophobicContact CG2-CE2 4.33Å; I534-F573 CarbonylContact O-C 3.49Å; I534-F573 WeakPolarHBondContact O-CA 3.37Å; I534-L574 PolarHBondContact O-N 2.85Å
535G93.4Very high89.9Confident1 Ų138.3 Ų38.31%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-154.8150.5179.900000113.3H495 V496 K497H495-G535 PolarHBondContact O-N 3.2Å; V496-G535 VanDerWaalsContact CA-O 3.27Å; V496-G535 WeakPolarHBondContact CA-O 3.22Å; K497-G535 PolarHBondContact N-O 3.41Å
536G90.8Very high89.6Confident1 Ų138 Ų381%0.0121%0.207CC..  trans166.9-177.8-175.200000112.8K497K497-G536 WeakPolarHBondContact O-CA 3.38Å
537K88.3Confident89.7Confident96 Ų9628.7 Ų28.742%0.41717%0.166SC..  trans-124.5138.3167.8-59.2-176.3-179.4-169.70108.2R498 V499 N576 Y577R498-K537 WeakPolarHBondContact CG-O 3.25Å; V499-K537 PolarHBondContact N-O 3.36Å; K537-N576 WeakPolarHBondContact CE-OD1 3.35Å; K537-N576 PolarHBondContact NZ-OD1 3.49Å; K537-Y577 WeakPolarHBondContact CE-O 3.39Å
538A84.9Confident89.8Confident8 Ų827.6 Ų27.67%0.06616%0.161CC..  trans-85.6152.7163.200000109.5Q108 V499 A545 K546 I549Q108-A538 PolarHBondContact NE2-O 3.11Å; V499-A538 HydrophobicContact CB-CB 4.49Å; A538-A545 HydrophobicContact CB-CB 3.63Å; A538-K546 HydrophobicContact CB-CG 3.98Å; A538-I549 HydrophobicContact CB-CD1 3.72Å
539A78.8Confident89.6Confident41 Ų4127.2 Ų27.234%0.33916%0.158SC..  trans-67.1145.2167.200000109.5G541 Y542A539-G541 VanDerWaalsContact C-N 3.27Å; A539-G541 PolarHBondContact O-N 2.8Å; A539-Y542 PolarHBondContact O-N 3.49Å
540P70.5Confident89.4Confident67 Ų6725.7 Ų25.744%0.43515%0.147SC..THydrogen-bonded Turntrans-56.1-39.1-173.9-25.633000113.8E110 I216 K546E110-P540 HydrophobicContact CG-CB 4.47Å; E110-P540 HydrophobicContact CG-CG 4.21Å; I216-P540 HydrophobicContact CD1-CB 4.45Å; P540-K546 WeakPolarHBondContact O-CE 3.46Å; P540-K546 PolarHBondContact O-NZ 3.2Å
541G71.2Confident89.2Confident59 Ų5925.7 Ų25.761%0.60815%0.147SC*.THydrogen-bonded Turntrans-84.9-4.4178.800000115.3A539 H543A539-G541 VanDerWaalsContact C-N 3.27Å; A539-G541 PolarHBondContact O-N 2.8Å; G541-H543 PolarHBondContact O-N 3.4Å; G541-H543 VanDerWaalsContact O-N 3.12Å
542Y82.4Confident89.1Confident68 Ų6825.6 Ų25.627%0.26715%0.146SC..  trans-89.382.9-176.2-165.5177.6000111.2L500 E501 A539 M544 A545 K546L500-Y542 HydrophobicContact CD2-CD1 3.8Å; L500-Y542 HydrophobicContact CD2-CE1 3.57Å; E501-Y542 VanDerWaalsContact CD-OH 3.23Å; E501-Y542 VanDerWaalsContact CG-OH 3.22Å; E501-Y542 WeakPolarHBondContact CG-OH 3.44Å; E501-Y542 WeakPolarHBondContact OE2-CE2 3.31Å; E501-Y542 PolarHBondContact OE2-OH 2.99Å; A539-Y542 PolarHBondContact O-N 3.49Å; Y542-M544 HydrophobicContact CD2-CB 4.23Å; Y542-M544 HydrophobicContact CE2-CB 3.81Å; Y542-M544 PolarHBondContact O-N 3.18Å; Y542-A545 HydrophobicContact CD1-CB 3.55Å; Y542-A545 HydrophobicContact CD2-CB 4.17Å; Y542-A545 HydrophobicContact CE1-CB 4.02Å; Y542-A545 HydrophobicContact CG-CB 3.63Å; Y542-A545 PolarHBondContact O-N 3.11Å; Y542-A545 VanDerWaalsContact O-N 3.14Å; Y542-K546 PolarHBondContact O-N 3.49Å; Y542-K546 VanDerWaalsContact O-N 3.1Å
543H86.2Confident88.8Confident108 Ų10827.3 Ų27.350%0.516%0.155SC..Hα-helixtrans-50.5-49.9-176.7178.274000113.2G541 A545 K546 M547G541-H543 PolarHBondContact O-N 3.4Å; G541-H543 VanDerWaalsContact O-N 3.12Å; H543-A545 VanDerWaalsContact C-N 3.34Å; H543-A545 PolarHBondContact O-N 3.45Å; H543-K546 WeakPolarHBondContact O-CB 3.48Å; H543-K546 PolarHBondContact O-N 3.02Å; H543-K546 VanDerWaalsContact O-N 3.08Å; H543-M547 WeakPolarHBondContact NE2-CG 3.36Å; H543-M547 WeakPolarHBondContact O-CG 3.3Å; H543-M547 PolarHBondContact O-N 2.91Å
544M90.6Very high88.5Confident22 Ų2227.5 Ų27.511%0.10816%0.156CC..Hα-helixtrans-62.1-39-178.6-167.658.357.700112.8E501 Y542 K546 M547 I548 L690 K693E501-M544 HydrophobicContact CG-CB 4.41Å; E501-M544 HydrophobicContact CG-CG 3.82Å; Y542-M544 HydrophobicContact CD2-CB 4.23Å; Y542-M544 HydrophobicContact CE2-CB 3.81Å; Y542-M544 PolarHBondContact O-N 3.18Å; M544-K546 VanDerWaalsContact C-N 3.35Å; M544-M547 PolarHBondContact O-N 3.42Å; M544-I548 WeakPolarHBondContact O-CG1 3.15Å; M544-I548 PolarHBondContact O-N 2.83Å; M544-L690 HydrophobicContact SD-CB 4.2Å; M544-L690 HydrophobicContact SD-CD1 3.45Å; M544-L690 WeakPolarHBondContact SD-CD1 3.44Å; M544-L690 HydrophobicContact SD-CG 4.42Å; M544-K693 HydrophobicContact CE-CB 4.38Å; M544-K693 HydrophobicContact CE-CD 3.62Å; M544-K693 HydrophobicContact CG-CD 4.32Å; M544-K693 HydrophobicContact SD-CD 4.21Å
545A90Very high88.5Confident0 Ų027.5 Ų27.50%016%0.156CC..Hα-helixtrans-65.6-37.7175.100000112V499 A538 Y542 H543 I548 I549V499-A545 HydrophobicContact CG1-CB 4.18Å; V499-A545 WeakPolarHBondContact O-CB 3.49Å; A538-A545 HydrophobicContact CB-CB 3.63Å; Y542-A545 HydrophobicContact CD1-CB 3.55Å; Y542-A545 HydrophobicContact CD2-CB 4.17Å; Y542-A545 HydrophobicContact CE1-CB 4.02Å; Y542-A545 HydrophobicContact CG-CB 3.63Å; Y542-A545 PolarHBondContact O-N 3.11Å; Y542-A545 VanDerWaalsContact O-N 3.14Å; H543-A545 VanDerWaalsContact C-N 3.34Å; H543-A545 PolarHBondContact O-N 3.45Å; A545-I548 PolarHBondContact O-N 2.8Å; A545-I549 WeakPolarHBondContact O-CG1 3.29Å; A545-I549 PolarHBondContact O-N 3.26Å; A545-I549 VanDerWaalsContact O-N 3.17Å
546K88.5Confident88.5Confident34 Ų3428 Ų2815%0.14816%0.16CC..Hα-helixtrans-65.4-40.3172.7-71.9-172.8166.7-173.10112.1E110 A538 P540 Y542 H543 M544 I548 I549 K550E110-K546 VanDerWaalsContact CD-NZ 3.25Å; E110-K546 WeakPolarHBondContact OE1-CE 3.41Å; E110-K546 IonicContact OE1-NZ 2.92Å; E110-K546 PolarHBondContact OE1-NZ 3.19Å; E110-K546 IonicContact OE2-NZ 3.98Å; E110-K546 PolarHBondContact OE2-NZ 3.24Å; A538-K546 HydrophobicContact CB-CG 3.98Å; P540-K546 WeakPolarHBondContact O-CE 3.46Å; P540-K546 PolarHBondContact O-NZ 3.2Å; Y542-K546 PolarHBondContact O-N 3.49Å; Y542-K546 VanDerWaalsContact O-N 3.1Å; H543-K546 WeakPolarHBondContact O-CB 3.48Å; H543-K546 PolarHBondContact O-N 3.02Å; H543-K546 VanDerWaalsContact O-N 3.08Å; M544-K546 VanDerWaalsContact C-N 3.35Å; K546-I548 VanDerWaalsContact C-N 3.34Å; K546-I548 PolarHBondContact O-N 2.99Å; K546-I549 WeakPolarHBondContact O-CB 3.27Å; K546-I549 PolarHBondContact O-N 3.17Å; K546-K550 PolarHBondContact O-N 2.88Å
547M92Very high88.5Confident6 Ų631 Ų313%0.0317%0.171CC..Hα-helixtrans-61.4-40.7174.8-71.5-52.6-58.900112.4Y107 H543 M544 I549 K550 L551 L686 F687Y107-M547 HydrophobicContact CE1-SD 3.77Å; H543-M547 WeakPolarHBondContact NE2-CG 3.36Å; H543-M547 WeakPolarHBondContact O-CG 3.3Å; H543-M547 PolarHBondContact O-N 2.91Å; M544-M547 PolarHBondContact O-N 3.42Å; M547-I549 PolarHBondContact O-N 2.93Å; M547-K550 PolarHBondContact O-N 2.76Å; M547-L551 PolarHBondContact O-N 2.91Å; M547-L686 HydrophobicContact CE-CD1 3.93Å; M547-L686 HydrophobicContact CE-CG 4.08Å; M547-L686 WeakPolarHBondContact CE-O 3.4Å; M547-F687 HydrophobicContact CE-CD1 3.73Å; M547-F687 HydrophobicContact CE-CE1 4.01Å
548I94.6Very high88.7Confident1 Ų128.3 Ų28.31%0.00516%0.161CC..Hα-helixtrans-60.1-44.6173.7-72.1169.6000111.2V499 E501 P505 L506 M544 A545 K546 K550 L551 I552 L690V499-I548 HydrophobicContact CG1-CB 4.4Å; V499-I548 HydrophobicContact CG1-CG2 3.99Å; E501-I548 HydrophobicContact CG-CD1 4.03Å; P505-I548 HydrophobicContact CB-CG2 4.27Å; P505-I548 HydrophobicContact CG-CG2 3.63Å; L506-I548 HydrophobicContact CD1-CD1 4.06Å; L506-I548 HydrophobicContact CD1-CG1 4.14Å; L506-I548 HydrophobicContact CD2-CG1 4.08Å; L506-I548 HydrophobicContact CD2-CG2 4.39Å; L506-I548 HydrophobicContact CG-CD1 4.17Å; L506-I548 HydrophobicContact CG-CG1 4.05Å; L506-I548 HydrophobicContact CG-CG2 4.44Å; M544-I548 WeakPolarHBondContact O-CG1 3.15Å; M544-I548 PolarHBondContact O-N 2.83Å; A545-I548 PolarHBondContact O-N 2.8Å; K546-I548 VanDerWaalsContact C-N 3.34Å; K546-I548 PolarHBondContact O-N 2.99Å; I548-K550 VanDerWaalsContact C-N 3.34Å; I548-K550 PolarHBondContact O-N 2.49Å; I548-L551 PolarHBondContact O-N 2.73Å; I548-I552 HydrophobicContact CG2-CD1 3.82Å; I548-I552 WeakPolarHBondContact O-CD1 3.4Å; I548-I552 VanDerWaalsContact O-CG1 3.31Å; I548-I552 WeakPolarHBondContact O-CG1 3.32Å; I548-I552 PolarHBondContact O-N 2.98Å; I548-L690 HydrophobicContact CG1-CD1 4.14Å
549I92.1Very high89.2Confident5 Ų528 Ų283%0.02616%0.158CC..Hα-helixtrans-60.5-45.3176.4-66173.9000110.5Q108 V499 A538 A545 K546 M547 I552 N553 F573Q108-I549 HydrophobicContact CB-CD1 4.19Å; Q108-I549 VanDerWaalsContact OE1-CD1 3.28Å; V499-I549 HydrophobicContact CB-CD1 4.29Å; V499-I549 HydrophobicContact CB-CG1 4.34Å; V499-I549 HydrophobicContact CG1-CD1 4.49Å; V499-I549 HydrophobicContact CG1-CG1 4.06Å; V499-I549 HydrophobicContact CG2-CD1 3.95Å; V499-I549 HydrophobicContact CG2-CG1 3.95Å; A538-I549 HydrophobicContact CB-CD1 3.72Å; A545-I549 WeakPolarHBondContact O-CG1 3.29Å; A545-I549 PolarHBondContact O-N 3.26Å; A545-I549 VanDerWaalsContact O-N 3.17Å; K546-I549 WeakPolarHBondContact O-CB 3.27Å; K546-I549 PolarHBondContact O-N 3.17Å; M547-I549 PolarHBondContact O-N 2.93Å; I549-I552 PolarHBondContact O-N 3.46Å; I549-N553 PolarHBondContact O-N 3.04Å; I549-N553 VanDerWaalsContact O-N 3.14Å; I549-N553 PolarHBondContact O-ND2 3.24Å; I549-F573 HydrophobicContact CB-CE2 4.4Å; I549-F573 HydrophobicContact CB-CZ 4.28Å; I549-F573 HydrophobicContact CD1-CZ 3.95Å; I549-F573 HydrophobicContact CG1-CE2 3.93Å; I549-F573 HydrophobicContact CG1-CZ 3.7Å; I549-F573 HydrophobicContact CG2-CD1 4.3Å; I549-F573 HydrophobicContact CG2-CE1 3.87Å; I549-F573 HydrophobicContact CG2-CE2 4.09Å; I549-F573 HydrophobicContact CG2-CZ 3.76Å
550K91.8Very high89.8Confident16 Ų1630.3 Ų30.37%0.0717%0.165CC..Hα-helixtrans-60.6-45.7177.9-179.859.7179.2-174.60111.2Y107 K546 M547 I548 I552 N553 S554 L686 F687Y107-K550 HydrophobicContact CD1-CB 4.3Å; Y107-K550 HydrophobicContact CE1-CB 4.41Å; Y107-K550 HydrophobicContact CE1-CG 4.43Å; K546-K550 PolarHBondContact O-N 2.88Å; M547-K550 PolarHBondContact O-N 2.76Å; I548-K550 VanDerWaalsContact C-N 3.34Å; I548-K550 PolarHBondContact O-N 2.49Å; K550-I552 PolarHBondContact O-N 2.87Å; K550-N553 PolarHBondContact O-N 2.98Å; K550-S554 WeakPolarHBondContact O-CB 3.42Å; K550-S554 PolarHBondContact O-N 3.11Å; K550-S554 PolarHBondContact O-OG 2.93Å; K550-L686 HydrophobicContact CG-CD2 4.04Å; K550-F687 HydrophobicContact CB-CE1 4.28Å; K550-F687 HydrophobicContact CG-CE1 3.99Å; K550-F687 HydrophobicContact CG-CZ 4.05Å
551L95.2Very high90.7Very high1 Ų134.9 Ų34.91%0.00518%0.178CC..Hα-helixtrans-57.8-48.4177177.463.4000111.7L506 M547 I548 N553 S554 V555 I674 Y679 F687 L690L506-L551 HydrophobicContact CD2-CD2 3.82Å; M547-L551 PolarHBondContact O-N 2.91Å; I548-L551 PolarHBondContact O-N 2.73Å; L551-N553 VanDerWaalsContact C-N 3.31Å; L551-N553 PolarHBondContact O-N 3.02Å; L551-S554 WeakPolarHBondContact O-CB 3.25Å; L551-S554 PolarHBondContact O-N 2.87Å; L551-S554 VanDerWaalsContact O-N 3.17Å; L551-V555 HydrophobicContact CD1-CG2 3.92Å; L551-V555 HydrophobicContact CG-CG2 4.27Å; L551-V555 VanDerWaalsContact O-CG2 3.32Å; L551-V555 WeakPolarHBondContact O-CG2 3.2Å; L551-V555 PolarHBondContact O-N 3.44Å; L551-I674 HydrophobicContact CD1-CG1 4.16Å; L551-I674 HydrophobicContact CD1-CG2 4.42Å; L551-I674 HydrophobicContact CD2-CD1 3.98Å; L551-I674 HydrophobicContact CD2-CG1 4.46Å; L551-Y679 HydrophobicContact CD1-CD2 4.33Å; L551-F687 VanDerWaalsContact CA-CE1 3.49Å; L551-F687 VanDerWaalsContact CA-CZ 3.49Å; L551-F687 HydrophobicContact CB-CD1 4.04Å; L551-F687 HydrophobicContact CB-CE1 3.62Å; L551-F687 HydrophobicContact CB-CZ 4Å; L551-F687 HydrophobicContact CD1-CD1 4.23Å; L551-F687 HydrophobicContact CD1-CD2 3.93Å; L551-F687 HydrophobicContact CD1-CE1 4.16Å; L551-F687 HydrophobicContact CD1-CE2 3.82Å; L551-F687 HydrophobicContact CD1-CG 4.14Å; L551-F687 HydrophobicContact CD1-CZ 3.95Å; L551-F687 HydrophobicContact CG-CE1 4.49Å; L551-L690 HydrophobicContact CB-CD2 4.22Å; L551-L690 HydrophobicContact CD2-CD2 3.56Å; L551-L690 HydrophobicContact CG-CD2 4.47Å
552I95.5Very high91.9Very high0 Ų032.9 Ų32.90%015%0.154CC..Hα-helixtrans-59.3-43.6-179.1-67.8159.4000111.2P505 C509 I534 I548 I549 K550 V555 A556 L571 F573P505-I552 HydrophobicContact CB-CD1 4.38Å; C509-I552 HydrophobicContact CB-CG1 4.08Å; I534-I552 HydrophobicContact CB-CD1 4.45Å; I534-I552 HydrophobicContact CB-CG2 4.32Å; I534-I552 HydrophobicContact CD1-CD1 4.02Å; I534-I552 HydrophobicContact CD1-CG1 4.14Å; I534-I552 HydrophobicContact CD1-CG2 4.05Å; I534-I552 HydrophobicContact CG2-CD1 3.85Å; I548-I552 HydrophobicContact CG2-CD1 3.82Å; I548-I552 WeakPolarHBondContact O-CD1 3.4Å; I548-I552 VanDerWaalsContact O-CG1 3.31Å; I548-I552 WeakPolarHBondContact O-CG1 3.32Å; I548-I552 PolarHBondContact O-N 2.98Å; I549-I552 PolarHBondContact O-N 3.46Å; K550-I552 PolarHBondContact O-N 2.87Å; I552-V555 PolarHBondContact O-N 3.35Å; I552-A556 VanDerWaalsContact O-CB 3.23Å; I552-A556 WeakPolarHBondContact O-CB 3.07Å; I552-A556 PolarHBondContact O-N 3.17Å; I552-L571 HydrophobicContact CG2-CD1 4.47Å; I552-L571 HydrophobicContact CG2-CD2 4.38Å; I552-F573 HydrophobicContact CB-CD2 4.34Å; I552-F573 HydrophobicContact CD1-CD2 4.4Å; I552-F573 HydrophobicContact CD1-CE2 4.43Å; I552-F573 HydrophobicContact CG2-CB 4.28Å; I552-F573 HydrophobicContact CG2-CD2 3.9Å
553N91.7Very high92.5Very high39 Ų3934.6 Ų34.621%0.20917%0.173CC..Hα-helixtrans-66.7-40.7177.1-75.4-78.4000111.9I549 K550 L551 V555 A556 R557 F573I549-N553 PolarHBondContact O-N 3.04Å; I549-N553 VanDerWaalsContact O-N 3.14Å; I549-N553 PolarHBondContact O-ND2 3.24Å; K550-N553 PolarHBondContact O-N 2.98Å; L551-N553 VanDerWaalsContact C-N 3.31Å; L551-N553 PolarHBondContact O-N 3.02Å; N553-V555 PolarHBondContact O-N 3Å; N553-A556 WeakPolarHBondContact O-CB 3.42Å; N553-A556 PolarHBondContact O-N 3.45Å; N553-R557 WeakPolarHBondContact O-CB 3.39Å; N553-R557 PolarHBondContact O-N 3.16Å; N553-F573 WeakPolarHBondContact OD1-CB 3.37Å
554S93.3Very high92.9Very high3 Ų331.9 Ų31.92%0.02116%0.162CC..Hα-helixtrans-60.9-44.3175.6-73.30000112.5K550 L551 I558 Y679K550-S554 WeakPolarHBondContact O-CB 3.42Å; K550-S554 PolarHBondContact O-N 3.11Å; K550-S554 PolarHBondContact O-OG 2.93Å; L551-S554 WeakPolarHBondContact O-CB 3.25Å; L551-S554 PolarHBondContact O-N 2.87Å; L551-S554 VanDerWaalsContact O-N 3.17Å; S554-I558 PolarHBondContact O-N 3.02Å; S554-Y679 WeakPolarHBondContact CB-O 3.44Å
555V95.9Very high93.1Very high1 Ų131 Ų311%0.00616%0.158CC..Hα-helixtrans-65.6-44.8175.1175.90000110.8I513 L551 I552 N553 R557 I558 I559 L571 Y679I513-V555 HydrophobicContact CD1-CG1 4.48Å; I513-V555 HydrophobicContact CD1-CG2 3.93Å; I513-V555 HydrophobicContact CG1-CG1 3.72Å; I513-V555 HydrophobicContact CG1-CG2 4.06Å; L551-V555 HydrophobicContact CD1-CG2 3.92Å; L551-V555 HydrophobicContact CG-CG2 4.27Å; L551-V555 VanDerWaalsContact O-CG2 3.32Å; L551-V555 WeakPolarHBondContact O-CG2 3.2Å; L551-V555 PolarHBondContact O-N 3.44Å; I552-V555 PolarHBondContact O-N 3.35Å; N553-V555 PolarHBondContact O-N 3Å; V555-R557 VanDerWaalsContact C-N 3.28Å; V555-R557 PolarHBondContact O-N 3.11Å; V555-I558 PolarHBondContact O-N 3.03Å; V555-I559 HydrophobicContact CG1-CD1 3.85Å; V555-I559 HydrophobicContact CG1-CG1 4.46Å; V555-I559 WeakPolarHBondContact O-CG1 3.41Å; V555-I559 PolarHBondContact O-N 3.3Å; V555-L571 HydrophobicContact CB-CD2 4.06Å; V555-L571 HydrophobicContact CG1-CD2 3.72Å; V555-Y679 HydrophobicContact CB-CD1 4.23Å; V555-Y679 HydrophobicContact CB-CE1 4.39Å; V555-Y679 HydrophobicContact CG1-CE1 4.29Å; V555-Y679 HydrophobicContact CG2-CD1 3.69Å; V555-Y679 HydrophobicContact CG2-CD2 4.08Å; V555-Y679 HydrophobicContact CG2-CE1 3.9Å; V555-Y679 HydrophobicContact CG2-CE2 4.26Å; V555-Y679 HydrophobicContact CG2-CG 3.8Å
556A93.9Very high93.2Very high11 Ų1136 Ų369%0.09119%0.188CC..Hα-helixtrans-55.5-44.7178.400000111.7I552 N553 I559 D560 L571I552-A556 VanDerWaalsContact O-CB 3.23Å; I552-A556 WeakPolarHBondContact O-CB 3.07Å; I552-A556 PolarHBondContact O-N 3.17Å; N553-A556 WeakPolarHBondContact O-CB 3.42Å; N553-A556 PolarHBondContact O-N 3.45Å; A556-I559 PolarHBondContact O-N 2.98Å; A556-D560 WeakPolarHBondContact O-CB 3.35Å; A556-D560 PolarHBondContact O-N 2.7Å; A556-L571 HydrophobicContact CB-CB 4.22Å; A556-L571 HydrophobicContact CB-CD2 4.11Å; A556-L571 HydrophobicContact CB-CG 3.93Å; A556-L571 VanDerWaalsContact CB-O 3.26Å; A556-L571 WeakPolarHBondContact CB-O 3.3Å
557R90.7Very high93.3Very high65 Ų6536.7 Ų36.725%0.24521%0.205CC..Hα-helixtrans-60.7-47.9178.4-174177.562.8162.7-3.7112.5E104 N553 V555 I559 D560 F561E104-R557 IonicContact OE1-NH1 3.78Å; E104-R557 PolarHBondContact OE1-NH1 2.98Å; E104-R557 VanDerWaalsContact OE1-NH1 3.15Å; N553-R557 WeakPolarHBondContact O-CB 3.39Å; N553-R557 PolarHBondContact O-N 3.16Å; V555-R557 VanDerWaalsContact C-N 3.28Å; V555-R557 PolarHBondContact O-N 3.11Å; R557-I559 VanDerWaalsContact C-N 3.31Å; R557-I559 PolarHBondContact O-N 3.16Å; R557-D560 PolarHBondContact O-N 2.8Å; R557-F561 HydrophobicContact CG-CD2 3.54Å; R557-F561 HydrophobicContact CG-CE2 3.48Å; R557-F561 VanDerWaalsContact CG-CE2 3.48Å; R557-F561 VanDerWaalsContact O-CD2 3.23Å; R557-F561 WeakPolarHBondContact O-CD2 3.44Å; R557-F561 PolarHBondContact O-N 3.19Å
558I93.8Very high93.5Very high39 Ų3939.4 Ų39.420%0.222%0.217CC..Hα-helixtrans-61-43177.6-63.9-62.3000110.9Y516 S554 V555 D562 Y678 Y679Y516-I558 HydrophobicContact CE1-CG2 4.12Å; S554-I558 PolarHBondContact O-N 3.02Å; V555-I558 PolarHBondContact O-N 3.03Å; I558-D562 PolarHBondContact O-N 3.21Å; I558-Y678 HydrophobicContact CG2-CE1 4.14Å; I558-Y679 HydrophobicContact CB-CD1 4.38Å; I558-Y679 HydrophobicContact CG1-CD1 4.02Å
559I95.3Very high93.6Very high1 Ų139.7 Ų39.71%0.00522%0.218CC..Hα-helixtrans-62.3-45.1176.7-70173.9000110.8A512 Y516 V555 A556 R557 F561 D562 T565 L569 L571A512-I559 HydrophobicContact CB-CD1 4.04Å; Y516-I559 HydrophobicContact CD2-CG1 4.02Å; Y516-I559 HydrophobicContact CG-CG1 4.18Å; V555-I559 HydrophobicContact CG1-CD1 3.85Å; V555-I559 HydrophobicContact CG1-CG1 4.46Å; V555-I559 WeakPolarHBondContact O-CG1 3.41Å; V555-I559 PolarHBondContact O-N 3.3Å; A556-I559 PolarHBondContact O-N 2.98Å; R557-I559 VanDerWaalsContact C-N 3.31Å; R557-I559 PolarHBondContact O-N 3.16Å; I559-F561 PolarHBondContact O-N 3.22Å; I559-D562 PolarHBondContact O-N 2.97Å; I559-T565 HydrophobicContact CG2-CG2 4.1Å; I559-T565 PolarHBondContact O-OG1 2.88Å; I559-L569 HydrophobicContact CD1-CD2 4.1Å; I559-L569 HydrophobicContact CG2-CD2 4.34Å; I559-L569 HydrophobicContact CG2-CG 4.14Å; I559-L569 WeakPolarHBondContact CG2-O 3.27Å; I559-L571 HydrophobicContact CD1-CB 4.05Å; I559-L571 HydrophobicContact CD1-CD2 4.34Å
560D90Very high93.8Very high91 Ų9141.2 Ų41.249%0.48723%0.225SC..Hα-helixtrans-71-29.8-174.8-148.537.2000113A556 R557 K570A556-D560 WeakPolarHBondContact O-CB 3.35Å; A556-D560 PolarHBondContact O-N 2.7Å; R557-D560 PolarHBondContact O-N 2.8Å; D560-K570 IonicContact OD1-NZ 3.39Å; D560-K570 PolarHBondContact OD1-NZ 3.44Å; D560-K570 IonicContact OD2-NZ 2.69Å; D560-K570 PolarHBondContact OD2-NZ 3.38Å
561F91.3Very high94.1Very high162 Ų16240.6 Ų40.671%0.71122%0.222SC*.Hα-helixtrans-86.2-13.7178.1-78.1-62.3000114.8R557 I559 P563R557-F561 HydrophobicContact CG-CD2 3.54Å; R557-F561 HydrophobicContact CG-CE2 3.48Å; R557-F561 VanDerWaalsContact CG-CE2 3.48Å; R557-F561 VanDerWaalsContact O-CD2 3.23Å; R557-F561 WeakPolarHBondContact O-CD2 3.44Å; R557-F561 PolarHBondContact O-N 3.19Å; I559-F561 PolarHBondContact O-N 3.22Å; F561-P563 WeakPolarHBondContact O-CD 3.35Å
562D95Very high94.1Very high18 Ų1841.1 Ų41.110%0.09623%0.225CC..  trans-86.5114.3180-165.8-37.3000110.9Y516 K520 I558 I559 I564 T565Y516-D562 HydrophobicContact CE2-CB 3.87Å; Y516-D562 WeakPolarHBondContact CE2-OD2 3.48Å; Y516-D562 PolarHBondContact OH-OD2 3.34Å; K520-D562 VanDerWaalsContact CD-OD2 3.3Å; K520-D562 WeakPolarHBondContact CD-OD2 3.48Å; K520-D562 WeakPolarHBondContact CE-OD2 3.46Å; K520-D562 IonicContact NZ-OD1 3.05Å; K520-D562 IonicContact NZ-OD2 3.72Å; K520-D562 PolarHBondContact NZ-OD2 2.97Å; I558-D562 PolarHBondContact O-N 3.21Å; I559-D562 PolarHBondContact O-N 2.97Å; D562-I564 PolarHBondContact O-N 3.45Å; D562-I564 WeakPolarHBondContact OD1-CB 3.36Å; D562-I564 WeakPolarHBondContact OD1-CG1 3.4Å; D562-I564 PolarHBondContact OD1-N 2.72Å; D562-T565 HydrophobicContact CB-CG2 4.2Å; D562-T565 PolarHBondContact O-N 3.12Å; D562-T565 PolarHBondContact O-OG1 2.77Å
563P94.6Very high94Very high104 Ų10441.9 Ų41.968%0.67523%0.228SC*.G310 helixtrans-57.4-25-177.5-25.835.9000114.2F561 T565 T566F561-P563 WeakPolarHBondContact O-CD 3.35Å; P563-T565 PolarHBondContact O-N 2.88Å; P563-T566 WeakPolarHBondContact O-CB 3.17Å; P563-T566 PolarHBondContact O-N 2.93Å; P563-T566 PolarHBondContact O-OG1 2.66Å
564I94.9Very high94Very high51 Ų5140 Ų4026%0.26222%0.219SC..G310 helixtrans-62.7-27.3179.9-65.2170.1000111.8L519 K520 P523 D562L519-I564 HydrophobicContact CB-CG2 4.1Å; K520-I564 HydrophobicContact CD-CD1 3.89Å; P523-I564 HydrophobicContact CB-CG2 4.17Å; P523-I564 HydrophobicContact CG-CD1 4.41Å; D562-I564 PolarHBondContact O-N 3.45Å; D562-I564 WeakPolarHBondContact OD1-CB 3.36Å; D562-I564 WeakPolarHBondContact OD1-CG1 3.4Å; D562-I564 PolarHBondContact OD1-N 2.72Å
565T94.5Very high93.7Very high3 Ų342.3 Ų42.32%0.01823%0.227CC..G310 helixtrans-86.5-14.3-178.470.30000112.8Y516 I559 D562 P563 G567 K568 L569Y516-T565 HydrophobicContact CD2-CG2 3.63Å; Y516-T565 HydrophobicContact CE2-CG2 3.86Å; I559-T565 HydrophobicContact CG2-CG2 4.1Å; I559-T565 PolarHBondContact O-OG1 2.88Å; D562-T565 HydrophobicContact CB-CG2 4.2Å; D562-T565 PolarHBondContact O-N 3.12Å; D562-T565 PolarHBondContact O-OG1 2.77Å; P563-T565 PolarHBondContact O-N 2.88Å; T565-G567 PolarHBondContact O-N 2.7Å; T565-K568 WeakPolarHBondContact O-CA 3.32Å; T565-K568 PolarHBondContact O-N 3.43Å; T565-L569 PolarHBondContact O-N 3.44Å
566T92.3Very high93.1Very high104 Ų10445.9 Ų45.964%0.63825%0.246SC*.THydrogen-bonded Turntrans-56.1123.8-171.7-65.70000110.9P563 K568P563-T566 WeakPolarHBondContact O-CB 3.17Å; P563-T566 PolarHBondContact O-N 2.93Å; P563-T566 PolarHBondContact O-OG1 2.66Å; T566-K568 PolarHBondContact O-N 2.88Å
567G90.9Very high93Very high50 Ų5047.2 Ų47.252%0.51525%0.249SC..THydrogen-bonded Turntrans73.2-4.1-17800000115.6P529 T565P529-G567 WeakPolarHBondContact CB-O 3.35Å; T565-G567 PolarHBondContact O-N 2.7Å
568K95.5Very high93Very high62 Ų6247.4 Ų47.427%0.2725%0.249SC..THydrogen-bonded Turntrans-110.1-48.9-178.4-62.7179.7-177.3171.70112.8L519 P523 M527 P529 R530 T565 T566L519-K568 HydrophobicContact CD1-CB 4.43Å; L519-K568 HydrophobicContact CD2-CD 3.84Å; P523-K568 PolarHBondContact O-NZ 2.78Å; M527-K568 HydrophobicContact CG-CB 4.43Å; M527-K568 HydrophobicContact SD-CB 4.19Å; P529-K568 CarbonylContact C-O 3.12Å; P529-K568 VanDerWaalsContact CA-O 3.29Å; P529-K568 WeakPolarHBondContact CA-O 3.29Å; R530-K568 PolarHBondContact N-O 2.97Å; T565-K568 WeakPolarHBondContact O-CA 3.32Å; T565-K568 PolarHBondContact O-N 3.43Å; T566-K568 PolarHBondContact O-N 2.88Å
569L97.5Very high92.8Very high7 Ų746.1 Ų46.14%0.03724%0.243CC..EExtended strand (participates in β ladder)trans-138.3127-175.9-179.566.1000109.9M515 L519 R530 I532 I559 T565M515-L569 HydrophobicContact CB-CD1 4.44Å; M515-L569 HydrophobicContact CB-CD2 3.89Å; L519-L569 HydrophobicContact CD1-CB 4Å; L519-L569 HydrophobicContact CD1-CD2 4.31Å; R530-L569 WeakPolarHBondContact O-CA 3.19Å; I532-L569 HydrophobicContact CD1-CD1 3.95Å; I559-L569 HydrophobicContact CD1-CD2 4.1Å; I559-L569 HydrophobicContact CG2-CD2 4.34Å; I559-L569 HydrophobicContact CG2-CG 4.14Å; I559-L569 WeakPolarHBondContact CG2-O 3.27Å; T565-L569 PolarHBondContact O-N 3.44Å
570K96.7Very high92.5Very high37 Ų3746.5 Ų46.516%0.16125%0.246CC..EExtended strand (participates in β ladder)trans-132.6135.1170.5-166.3168.8-178.6105.30109.3Q485 L486 R530 T531 I532 D560 I572Q485-K570 WeakPolarHBondContact O-CE 3.41Å; Q485-K570 PolarHBondContact O-NZ 2.81Å; Q485-K570 VanDerWaalsContact O-NZ 3.14Å; L486-K570 HydrophobicContact CD2-CD 3.81Å; R530-K570 PolarHBondContact O-N 2.84Å; T531-K570 CarbonylContact C-O 3.16Å; T531-K570 WeakPolarHBondContact CA-O 3.49Å; I532-K570 PolarHBondContact N-O 3.45Å; D560-K570 IonicContact OD1-NZ 3.39Å; D560-K570 PolarHBondContact OD1-NZ 3.44Å; D560-K570 IonicContact OD2-NZ 2.69Å; D560-K570 PolarHBondContact OD2-NZ 3.38Å; K570-I572 HydrophobicContact CD-CG2 4.44Å; K570-I572 HydrophobicContact CG-CG2 4.15Å
571L97.4Very high92.6Very high4 Ų442.1 Ų42.12%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-117.8131.6171.6173.465.6000107.9A512 I532 I534 I552 V555 A556 I559A512-L571 HydrophobicContact CB-CD2 3.99Å; I532-L571 HydrophobicContact CB-CD1 3.78Å; I532-L571 HydrophobicContact CG2-CD1 3.59Å; I532-L571 CarbonylContact O-C 3.55Å; I532-L571 WeakPolarHBondContact O-CA 3.25Å; I534-L571 HydrophobicContact CD1-CD1 4.04Å; I534-L571 HydrophobicContact CG1-CD1 4.24Å; I552-L571 HydrophobicContact CG2-CD1 4.47Å; I552-L571 HydrophobicContact CG2-CD2 4.38Å; V555-L571 HydrophobicContact CB-CD2 4.06Å; V555-L571 HydrophobicContact CG1-CD2 3.72Å; A556-L571 HydrophobicContact CB-CB 4.22Å; A556-L571 HydrophobicContact CB-CD2 4.11Å; A556-L571 HydrophobicContact CB-CG 3.93Å; A556-L571 VanDerWaalsContact CB-O 3.26Å; A556-L571 WeakPolarHBondContact CB-O 3.3Å; I559-L571 HydrophobicContact CD1-CB 4.05Å; I559-L571 HydrophobicContact CD1-CD2 4.34Å
572I94.8Very high92.9Very high11 Ų1134.5 Ų34.56%0.05619%0.19CC..EExtended strand (participates in β ladder)trans-133147.3175.167.3169.3000111.3M478 I484 L486 I532 I533 I534 K570M478-I572 HydrophobicContact CE-CD1 3.88Å; I484-I572 HydrophobicContact CG2-CG2 4.22Å; L486-I572 HydrophobicContact CD1-CD1 4.28Å; L486-I572 HydrophobicContact CD2-CD1 4.11Å; L486-I572 HydrophobicContact CD2-CG2 4.25Å; I532-I572 PolarHBondContact O-N 2.96Å; I533-I572 HydrophobicContact CB-CD1 4.39Å; I533-I572 HydrophobicContact CB-CG1 4.11Å; I533-I572 HydrophobicContact CD1-CD1 4.28Å; I533-I572 HydrophobicContact CG1-CD1 3.88Å; I533-I572 HydrophobicContact CG1-CG1 3.83Å; I533-I572 HydrophobicContact CG2-CD1 4Å; I533-I572 HydrophobicContact CG2-CG1 3.98Å; I534-I572 PolarHBondContact N-O 3.36Å; K570-I572 HydrophobicContact CD-CG2 4.44Å; K570-I572 HydrophobicContact CG-CG2 4.15Å
573F93.6Very high92.9Very high17 Ų1734.2 Ų34.28%0.07519%0.188CC..EExtended strand (participates in β ladder)trans-98.4114.1166.5-166.3-94000111.3V499 I534 I549 I552 N553 R575V499-F573 HydrophobicContact CG2-CZ 4.35Å; I534-F573 HydrophobicContact CB-CD2 4.45Å; I534-F573 HydrophobicContact CG2-CD2 4.38Å; I534-F573 HydrophobicContact CG2-CE2 4.33Å; I534-F573 CarbonylContact O-C 3.49Å; I534-F573 WeakPolarHBondContact O-CA 3.37Å; I549-F573 HydrophobicContact CB-CE2 4.4Å; I549-F573 HydrophobicContact CB-CZ 4.28Å; I549-F573 HydrophobicContact CD1-CZ 3.95Å; I549-F573 HydrophobicContact CG1-CE2 3.93Å; I549-F573 HydrophobicContact CG1-CZ 3.7Å; I549-F573 HydrophobicContact CG2-CD1 4.3Å; I549-F573 HydrophobicContact CG2-CE1 3.87Å; I549-F573 HydrophobicContact CG2-CE2 4.09Å; I549-F573 HydrophobicContact CG2-CZ 3.76Å; I552-F573 HydrophobicContact CB-CD2 4.34Å; I552-F573 HydrophobicContact CD1-CD2 4.4Å; I552-F573 HydrophobicContact CD1-CE2 4.43Å; I552-F573 HydrophobicContact CG2-CB 4.28Å; I552-F573 HydrophobicContact CG2-CD2 3.9Å; N553-F573 WeakPolarHBondContact OD1-CB 3.37Å; F573-R575 HydrophobicContact CD1-CG 4.2Å; F573-R575 PolarHBondContact O-N 3.37Å
574L91.5Very high92.9Very high0 Ų033.2 Ų33.20%017%0.17CC..EExtended strand (participates in β ladder)trans-79.686.6-179.1-169.868.8000111.1F474 M478 V496 I533 I534 Y577 L581 I585F474-L574 HydrophobicContact CZ-CD1 4.17Å; M478-L574 HydrophobicContact CE-CD1 3.94Å; M478-L574 HydrophobicContact SD-CD1 3.87Å; V496-L574 HydrophobicContact CG1-CD2 4.08Å; I533-L574 HydrophobicContact CG2-CB 3.93Å; I533-L574 HydrophobicContact CG2-CD2 4.26Å; I534-L574 PolarHBondContact O-N 2.85Å; L574-Y577 HydrophobicContact CD2-CD2 4.45Å; L574-L581 HydrophobicContact CD1-CD1 4.34Å; L574-L581 HydrophobicContact CD1-CD2 3.86Å; L574-L581 HydrophobicContact CD1-CG 4.42Å; L574-L581 HydrophobicContact CD2-CD1 4.45Å; L574-L581 HydrophobicContact CD2-CD2 3.64Å; L574-L581 HydrophobicContact CD2-CG 3.87Å; L574-L581 HydrophobicContact CG-CD2 3.5Å; L574-L581 HydrophobicContact CG-CG 4.23Å; L574-I585 HydrophobicContact CD2-CB 4.38Å; L574-I585 HydrophobicContact CD2-CG1 4.44Å; L574-I585 HydrophobicContact CD2-CG2 4.35Å
575R86.7Confident93.1Very high50 Ų5030.8 Ų30.819%0.18916%0.158CC..  trans-54.3146.3178.8-62178.2-72.9178.9-6.5114T99 D103 R482 F573 Y577T99-R575 VanDerWaalsContact CG2-CZ 3.48Å; T99-R575 PolarHBondContact O-NH1 3.05Å; T99-R575 VanDerWaalsContact O-NH1 3.13Å; D103-R575 VanDerWaalsContact OD1-CD 3.27Å; D103-R575 WeakPolarHBondContact OD1-CD 3.47Å; D103-R575 IonicContact OD1-CZ 2.7Å; D103-R575 IonicContact OD1-NE 2.74Å; D103-R575 PolarHBondContact OD1-NE 2.89Å; D103-R575 IonicContact OD1-NH1 3.92Å; D103-R575 PolarHBondContact OD1-NH1 3.17Å; D103-R575 IonicContact OD1-NH2 3.46Å; D103-R575 IonicContact OD2-CZ 3.22Å; D103-R575 IonicContact OD2-NE 2.7Å; D103-R575 IonicContact OD2-NH1 3.36Å; D103-R575 PolarHBondContact OD2-NH1 2.84Å; D103-R575 IonicContact OD2-NH2 2.88Å; D103-R575 PolarHBondContact OD2-NH2 3.33Å; R482-R575 VanDerWaalsContact NH1-N 3.12Å; R482-R575 PolarHBondContact NH1-O 3.19Å; R482-R575 PolarHBondContact NH2-O 3.33Å; F573-R575 HydrophobicContact CD1-CG 4.2Å; F573-R575 PolarHBondContact O-N 3.37Å; R575-Y577 PolarHBondContact O-N 2.91Å
576N85.4Confident93.3Very high76 Ų7630.7 Ų30.741%0.40616%0.157SC..SBendtrans50.750176.4-166.78.9000113.2K537 R578K537-N576 WeakPolarHBondContact CE-OD1 3.35Å; K537-N576 PolarHBondContact NZ-OD1 3.49Å; N576-R578 PolarHBondContact ND2-NH1 3.17Å; N576-R578 WeakPolarHBondContact O-CG 3.34Å; N576-R578 PolarHBondContact O-N 3.39Å; N576-R578 PolarHBondContact O-NH1 3.31Å
577Y91.3Very high93.5Very high39 Ų3925.8 Ų25.815%0.15313%0.127CC..  trans-58.3127.4174-178.9-109.5000110.8V496 K537 L574 R575 A582 I585V496-Y577 HydrophobicContact CB-CD1 4.5Å; V496-Y577 HydrophobicContact CB-CD2 3.87Å; V496-Y577 HydrophobicContact CB-CE1 4.25Å; V496-Y577 HydrophobicContact CB-CE2 3.58Å; V496-Y577 HydrophobicContact CB-CG 4.32Å; V496-Y577 HydrophobicContact CG1-CD2 4.23Å; V496-Y577 HydrophobicContact CG1-CE2 4.25Å; V496-Y577 HydrophobicContact CG2-CD2 4.39Å; V496-Y577 HydrophobicContact CG2-CE2 3.61Å; K537-Y577 WeakPolarHBondContact CE-O 3.39Å; L574-Y577 HydrophobicContact CD2-CD2 4.45Å; R575-Y577 PolarHBondContact O-N 2.91Å; Y577-A582 HydrophobicContact CE2-CB 3.76Å; Y577-A582 WeakPolarHBondContact OH-CB 3.3Å; Y577-I585 HydrophobicContact CE2-CG2 4.25Å
578R89.4Confident93.9Very high70 Ų7023.4 Ų23.426%0.26410%0.103SC..  trans-159.9168.7-173.263-167.1-177.9-87.614.7109.8F84 N576 S580 L581 A582F84-R578 HydrophobicContact CZ-CB 4.2Å; N576-R578 PolarHBondContact ND2-NH1 3.17Å; N576-R578 WeakPolarHBondContact O-CG 3.34Å; N576-R578 PolarHBondContact O-N 3.39Å; N576-R578 PolarHBondContact O-NH1 3.31Å; R578-S580 VanDerWaalsContact C-N 3.29Å; R578-S580 PolarHBondContact NE-OG 3.06Å; R578-S580 PolarHBondContact O-N 3.36Å; R578-S580 VanDerWaalsContact O-N 3.16Å; R578-L581 HydrophobicContact CG-CB 4.34Å; R578-L581 PolarHBondContact O-N 3.05Å; R578-A582 PolarHBondContact O-N 2.9Å
579V91Very high94.1Very high12 Ų1220.5 Ų20.57%0.0739%0.09CC..Hα-helixtrans-50.2-45.5-176177.50000112.8F84 W419 L581 A582 E583F84-V579 HydrophobicContact CD1-CG2 4.05Å; F84-V579 HydrophobicContact CD2-CG2 3.71Å; F84-V579 HydrophobicContact CE1-CG2 4.17Å; F84-V579 HydrophobicContact CE2-CG2 3.85Å; F84-V579 HydrophobicContact CG-CG2 3.83Å; F84-V579 HydrophobicContact CZ-CG2 4.09Å; W419-V579 HydrophobicContact CH2-CG1 4.07Å; W419-V579 HydrophobicContact CZ2-CG1 4.39Å; V579-L581 VanDerWaalsContact C-N 3.26Å; V579-L581 PolarHBondContact O-N 2.99Å; V579-A582 WeakPolarHBondContact O-CB 3.45Å; V579-A582 PolarHBondContact O-N 3.14Å; V579-E583 WeakPolarHBondContact O-CG 3.43Å; V579-E583 PolarHBondContact O-N 2.75Å
580S88.9Confident94.1Very high8 Ų820.4 Ų20.46%0.0569%0.089CC..Hα-helixtrans-65.7-27.5-179.563.80000114.3R87 R578R87-S580 VanDerWaalsContact CZ-CB 3.41Å; R87-S580 VanDerWaalsContact NE-CB 3.3Å; R87-S580 PolarHBondContact NH2-OG 3.45Å; R578-S580 VanDerWaalsContact C-N 3.29Å; R578-S580 PolarHBondContact NE-OG 3.06Å; R578-S580 PolarHBondContact O-N 3.36Å; R578-S580 VanDerWaalsContact O-N 3.16Å
581L92.2Very high94.2Very high0 Ų018.6 Ų18.60%08%0.082CC..Hα-helixtrans-83.2-37.4176-171.357.1000110.5F474 Y477 R482 L574 R578 V579 E583 R584 I585F474-L581 HydrophobicContact CE2-CD1 4.47Å; Y477-L581 HydrophobicContact CD1-CD1 4.49Å; Y477-L581 HydrophobicContact CE1-CD1 3.61Å; R482-L581 VanDerWaalsContact NH2-CD2 3.33Å; L574-L581 HydrophobicContact CD1-CD1 4.34Å; L574-L581 HydrophobicContact CD1-CD2 3.86Å; L574-L581 HydrophobicContact CD1-CG 4.42Å; L574-L581 HydrophobicContact CD2-CD1 4.45Å; L574-L581 HydrophobicContact CD2-CD2 3.64Å; L574-L581 HydrophobicContact CD2-CG 3.87Å; L574-L581 HydrophobicContact CG-CD2 3.5Å; L574-L581 HydrophobicContact CG-CG 4.23Å; R578-L581 HydrophobicContact CG-CB 4.34Å; R578-L581 PolarHBondContact O-N 3.05Å; V579-L581 VanDerWaalsContact C-N 3.26Å; V579-L581 PolarHBondContact O-N 2.99Å; L581-E583 VanDerWaalsContact C-N 3.3Å; L581-E583 PolarHBondContact O-N 3.19Å; L581-R584 WeakPolarHBondContact O-CB 3.35Å; L581-R584 PolarHBondContact O-N 3.45Å; L581-I585 WeakPolarHBondContact O-CG2 3.31Å; L581-I585 PolarHBondContact O-N 3.48Å
582A96.4Very high94.3Very high2 Ų218.4 Ų18.42%0.0178%0.081CC..Hα-helixtrans-55.7-43.5171.200000111.8W419 Y577 R578 V579 R584 I585 I586W419-A582 HydrophobicContact CH2-CB 3.87Å; W419-A582 HydrophobicContact CZ3-CB 3.86Å; Y577-A582 HydrophobicContact CE2-CB 3.76Å; Y577-A582 WeakPolarHBondContact OH-CB 3.3Å; R578-A582 PolarHBondContact O-N 2.9Å; V579-A582 WeakPolarHBondContact O-CB 3.45Å; V579-A582 PolarHBondContact O-N 3.14Å; A582-R584 PolarHBondContact O-N 2.86Å; A582-I585 PolarHBondContact O-N 3.38Å; A582-I586 HydrophobicContact CB-CD1 3.87Å; A582-I586 VanDerWaalsContact O-CB 3.27Å; A582-I586 WeakPolarHBondContact O-CB 3.39Å; A582-I586 WeakPolarHBondContact O-CD1 3.31Å; A582-I586 VanDerWaalsContact O-CG1 3.26Å; A582-I586 WeakPolarHBondContact O-CG1 3.27Å; A582-I586 PolarHBondContact O-N 2.82Å
583E95.3Very high94.5Very high12 Ų1218 Ų186%0.0568%0.078CC..Hα-helixtrans-59.2-15.9174.7-73.7174.1177.300113.9R418 W419 C423 V579 L581R418-E583 WeakPolarHBondContact CD-OE1 3.36Å; R418-E583 WeakPolarHBondContact CG-OE1 3.28Å; R418-E583 IonicContact CZ-OE1 3.02Å; R418-E583 IonicContact NH1-OE1 3.9Å; R418-E583 PolarHBondContact NH1-OE1 3.1Å; W419-E583 HydrophobicContact CZ3-CG 4.17Å; C423-E583 HydrophobicContact CB-CB 4.1Å; C423-E583 HydrophobicContact CB-CG 4.31Å; C423-E583 WeakPolarHBondContact CB-O 3.5Å; V579-E583 WeakPolarHBondContact O-CG 3.43Å; V579-E583 PolarHBondContact O-N 2.75Å; L581-E583 VanDerWaalsContact C-N 3.3Å; L581-E583 PolarHBondContact O-N 3.19Å
584R95.6Very high94.7Very high83 Ų8317.8 Ų17.831%0.3138%0.078SC..Hα-helixtrans-102.5-47.2177.7-63.6177.8175.3-86.81.3112.6M93 F474 L581 A582M93-R584 PolarHBondContact SD-NH2 2.9Å; F474-R584 HydrophobicContact CD2-CB 4.11Å; L581-R584 WeakPolarHBondContact O-CB 3.35Å; L581-R584 PolarHBondContact O-N 3.45Å; A582-R584 PolarHBondContact O-N 2.86Å
585I97.6Very high95Very high0 Ų017.8 Ų17.80%08%0.078CC..Hα-helixtrans-73.5-37.1-176.3-174.961.5000112.4F474 V494 V496 I533 L574 Y577 L581 A582 A588 T589F474-I585 HydrophobicContact CD1-CD1 4.06Å; F474-I585 HydrophobicContact CD2-CB 4.38Å; F474-I585 HydrophobicContact CD2-CD1 4.31Å; F474-I585 HydrophobicContact CE1-CD1 3.61Å; F474-I585 HydrophobicContact CE2-CB 3.9Å; F474-I585 HydrophobicContact CE2-CD1 3.9Å; F474-I585 HydrophobicContact CE2-CG1 4.42Å; F474-I585 HydrophobicContact CG-CD1 4.4Å; F474-I585 HydrophobicContact CZ-CB 4.29Å; F474-I585 HydrophobicContact CZ-CD1 3.53Å; F474-I585 HydrophobicContact CZ-CG1 4.35Å; V494-I585 HydrophobicContact CG1-CD1 4.36Å; V494-I585 HydrophobicContact CG1-CG1 3.78Å; V494-I585 HydrophobicContact CG2-CD1 4.05Å; V494-I585 HydrophobicContact CG2-CG1 4.32Å; V496-I585 HydrophobicContact CG2-CG2 4.37Å; I533-I585 HydrophobicContact CD1-CD1 3.72Å; I533-I585 HydrophobicContact CG2-CD1 4.44Å; L574-I585 HydrophobicContact CD2-CB 4.38Å; L574-I585 HydrophobicContact CD2-CG1 4.44Å; L574-I585 HydrophobicContact CD2-CG2 4.35Å; Y577-I585 HydrophobicContact CE2-CG2 4.25Å; L581-I585 WeakPolarHBondContact O-CG2 3.31Å; L581-I585 PolarHBondContact O-N 3.48Å; A582-I585 PolarHBondContact O-N 3.38Å; I585-A588 PolarHBondContact O-N 3.19Å; I585-A588 VanDerWaalsContact O-N 3.11Å; I585-T589 PolarHBondContact O-N 2.94Å; I585-T589 VanDerWaalsContact O-N 3.09Å; I585-T589 PolarHBondContact O-OG1 3.05Å
586I98.5Very high95.5Very high0 Ų015.6 Ų15.60%07%0.07CC..Hα-helixtrans-60.1-49.4-176.7-68.4167.1000111.8W419 A582 A588 T589 K609 F610 N613W419-I586 HydrophobicContact CE3-CD1 4.02Å; W419-I586 HydrophobicContact CZ3-CD1 3.72Å; A582-I586 HydrophobicContact CB-CD1 3.87Å; A582-I586 VanDerWaalsContact O-CB 3.27Å; A582-I586 WeakPolarHBondContact O-CB 3.39Å; A582-I586 WeakPolarHBondContact O-CD1 3.31Å; A582-I586 VanDerWaalsContact O-CG1 3.26Å; A582-I586 WeakPolarHBondContact O-CG1 3.27Å; A582-I586 PolarHBondContact O-N 2.82Å; I586-A588 PolarHBondContact O-N 2.68Å; I586-T589 PolarHBondContact O-N 3.31Å; I586-K609 HydrophobicContact CD1-CB 3.83Å; I586-K609 HydrophobicContact CD1-CD 3.85Å; I586-K609 HydrophobicContact CD1-CG 4.43Å; I586-K609 HydrophobicContact CG2-CB 4.07Å; I586-K609 WeakPolarHBondContact CG2-O 3.31Å; I586-F610 HydrophobicContact CB-CD1 4.41Å; I586-F610 HydrophobicContact CB-CE1 4.16Å; I586-F610 HydrophobicContact CG1-CD1 4.27Å; I586-F610 HydrophobicContact CG1-CE1 3.75Å; I586-F610 HydrophobicContact CG1-CE2 4.3Å; I586-F610 HydrophobicContact CG1-CZ 3.78Å; I586-F610 HydrophobicContact CG2-CD1 4.12Å; I586-F610 HydrophobicContact CG2-CE1 4.36Å; I586-N613 HydrophobicContact CG2-CB 3.95Å
587P98.5Very high96Very high2 Ų212 Ų121%0.0135%0.051CC..Hα-helixtrans-59.6-30.9175.4-26.235.6000114.5C423 N424 K467 N470C423-P587 HydrophobicContact CB-CG 3.97Å; C423-P587 WeakPolarHBondContact O-CG 3.47Å; N424-P587 HydrophobicContact CB-CB 4.15Å; N424-P587 HydrophobicContact CB-CG 4.15Å; K467-P587 PolarHBondContact NZ-O 3.27Å; N470-P587 HydrophobicContact CB-CB 4.06Å; N470-P587 WeakPolarHBondContact CB-O 3.49Å; N470-P587 PolarHBondContact ND2-O 2.9Å; N470-P587 VanDerWaalsContact ND2-O 3.14Å
588A98.5Very high96.2Very high0 Ų010.2 Ų10.20%04%0.044CC..Hα-helixtrans-85.7-10-176.400000114.2N470 K471 F474 F492 I585 I586N470-A588 HydrophobicContact CB-CB 4.39Å; K471-A588 HydrophobicContact CG-CB 4.28Å; K471-A588 WeakPolarHBondContact CG-O 3.18Å; F474-A588 HydrophobicContact CB-CB 3.69Å; F474-A588 HydrophobicContact CG-CB 4.16Å; F492-A588 HydrophobicContact CD2-CB 4.32Å; F492-A588 WeakPolarHBondContact CD2-O 3.18Å; I585-A588 PolarHBondContact O-N 3.19Å; I585-A588 VanDerWaalsContact O-N 3.11Å; I586-A588 PolarHBondContact O-N 2.68Å
589T98.8Very high96.3Very high0 Ų07.5 Ų7.50%04%0.038CC..  trans-78.9137.7-173.3-640000111.9K467 V494 I585 I586 L591 F610 A615K467-T589 WeakPolarHBondContact CE-O 3.4Å; K467-T589 PolarHBondContact NZ-O 3.32Å; V494-T589 HydrophobicContact CB-CG2 3.65Å; V494-T589 HydrophobicContact CG2-CG2 3.61Å; V494-T589 VanDerWaalsContact CG2-OG1 3.31Å; V494-T589 WeakPolarHBondContact CG2-OG1 3.31Å; I585-T589 PolarHBondContact O-N 2.94Å; I585-T589 VanDerWaalsContact O-N 3.09Å; I585-T589 PolarHBondContact O-OG1 3.05Å; I586-T589 PolarHBondContact O-N 3.31Å; T589-L591 WeakPolarHBondContact CG2-O 3.48Å; T589-F610 HydrophobicContact CG2-CD1 3.7Å; T589-F610 HydrophobicContact CG2-CE1 3.62Å; T589-F610 VanDerWaalsContact OG1-CE1 3.29Å; T589-F610 WeakPolarHBondContact OG1-CE1 3.37Å; T589-A615 HydrophobicContact CG2-CB 3.8Å; T589-A615 WeakPolarHBondContact O-CB 3.35Å
590D98.8Very high96.3Very high5 Ų57.2 Ų7.23%0.0274%0.036CC..SBendtrans-95-48.2173.6-65.2-48.3000110.7K467 K471 L491 F492 A615 L616 Y720 W726K467-D590 WeakPolarHBondContact CG-OD1 3.27Å; K471-D590 VanDerWaalsContact CE-OD2 3.26Å; K471-D590 WeakPolarHBondContact CE-OD2 3.48Å; K471-D590 IonicContact NZ-OD1 3.86Å; K471-D590 IonicContact NZ-OD2 3.67Å; K471-D590 PolarHBondContact NZ-OD2 2.93Å; L491-D590 HydrophobicContact CG-CB 4.32Å; F492-D590 PolarHBondContact N-OD2 2.87Å; F492-D590 PolarHBondContact O-N 3.4Å; F492-D590 VanDerWaalsContact O-N 3.08Å; D590-A615 CarbonylContact O-C 3.58Å; D590-A615 WeakPolarHBondContact O-CA 3.3Å; D590-L616 PolarHBondContact O-N 3.39Å; D590-Y720 HydrophobicContact CB-CE2 4.32Å; D590-W726 HydrophobicContact CB-CZ2 3.95Å
591L98.8Very high96.5Very high0 Ų08.3 Ų8.30%04%0.04CC..EExtended strand (participates in β ladder)trans-120.5130.2178.6-172.675.9000110.8L491 F492 V494 T589 L616 I618 F638 V716L491-L591 HydrophobicContact CD2-CB 3.94Å; F492-L591 PolarHBondContact O-N 3.39Å; V494-L591 PolarHBondContact N-O 3.34Å; T589-L591 WeakPolarHBondContact CG2-O 3.48Å; L591-L616 CarbonylContact C-O 3.6Å; L591-L616 WeakPolarHBondContact CA-O 3.28Å; L591-L616 HydrophobicContact CD1-CB 4.39Å; L591-I618 HydrophobicContact CD1-CB 4.09Å; L591-I618 HydrophobicContact CD1-CG2 4Å; L591-I618 HydrophobicContact CD2-CB 4.38Å; L591-I618 HydrophobicContact CD2-CG2 3.69Å; L591-I618 HydrophobicContact CG-CB 4.41Å; L591-I618 HydrophobicContact CG-CG2 3.78Å; L591-F638 HydrophobicContact CD1-CD2 3.96Å; L591-F638 HydrophobicContact CD1-CE2 4.11Å; L591-V716 HydrophobicContact CD1-CG1 4Å; L591-V716 HydrophobicContact CD1-CG2 3.82Å; L591-V716 HydrophobicContact CD2-CG1 3.8Å; L591-V716 HydrophobicContact CD2-CG2 4.05Å; L591-V716 HydrophobicContact CG-CG1 4.4Å
592S98.7Very high96.5Very high0 Ų08.8 Ų8.80%05%0.045CC..EExtended strand (participates in β ladder)trans-107.3122.7177.6-169.70000111.5Q594 F610 L616 I618S592-Q594 PolarHBondContact O-N 3.06Å; S592-Q594 PolarHBondContact OG-NE2 3.39Å; S592-F610 WeakPolarHBondContact OG-CD2 3.37Å; S592-F610 WeakPolarHBondContact OG-CE2 3.33Å; S592-F610 WeakPolarHBondContact OG-CG 3.36Å; S592-L616 PolarHBondContact N-O 2.93Å; S592-I618 PolarHBondContact O-N 3.34Å
593E98.7Very high96.4Very high1 Ų18.9 Ų8.91%0.0055%0.045CC..EExtended strand (participates in β ladder)trans-85.198.9-179.6-70.8-77-171.100111.2D493 V494 H495 K497 I595 I618 Y709 Q713D493-E593 VanDerWaalsContact OD1-CG 3.26Å; D493-E593 WeakPolarHBondContact OD1-CG 3.46Å; V494-E593 PolarHBondContact O-N 2.92Å; H495-E593 HydrophobicContact CB-CB 3.72Å; H495-E593 HydrophobicContact CB-CG 4.17Å; K497-E593 WeakPolarHBondContact CE-O 3.19Å; K497-E593 PolarHBondContact NZ-O 3.19Å; E593-I595 WeakPolarHBondContact OE2-CG2 3.08Å; E593-I618 VanDerWaalsContact CD-CG2 3.46Å; E593-I618 HydrophobicContact CG-CG2 4.21Å; E593-I618 VanDerWaalsContact OE2-CG2 3.25Å; E593-I618 WeakPolarHBondContact OE2-CG2 3.45Å; E593-Y709 VanDerWaalsContact CD-OH 3.28Å; E593-Y709 PolarHBondContact OE1-OH 3.02Å; E593-Y709 PolarHBondContact OE2-OH 2.92Å; E593-Q713 PolarHBondContact OE1-NE2 3.19Å
594Q98.3Very high96.1Very high13 Ų139 Ų96%0.0615%0.05CC..EExtended strand (participates in β ladder)trans-113.366.5-179.9-54.6-60.1-17.400110.8S592 P596 N607 T617 I618 G619 T620 N625S592-Q594 PolarHBondContact O-N 3.06Å; S592-Q594 PolarHBondContact OG-NE2 3.39Å; Q594-P596 WeakPolarHBondContact O-CD 3.24Å; Q594-N607 HydrophobicContact CB-CB 4.46Å; Q594-N607 HydrophobicContact CG-CB 3.66Å; Q594-T617 HydrophobicContact CB-CG2 3.79Å; Q594-T617 HydrophobicContact CG-CG2 3.67Å; Q594-I618 PolarHBondContact N-O 3.35Å; Q594-G619 WeakPolarHBondContact O-CA 3.37Å; Q594-T620 PolarHBondContact O-N 2.92Å; Q594-N625 PolarHBondContact O-ND2 3.46Å
595I98.3Very high96.1Very high0 Ų07.5 Ų7.50%05%0.05CC..  trans-114.138.8-162.362.2176.6000115.2R504 L507 P508 E593 F640 Y709R504-I595 VanDerWaalsContact CZ-O 3.23Å; R504-I595 PolarHBondContact NE-O 3.12Å; R504-I595 PolarHBondContact NH2-O 2.7Å; R504-I595 WeakPolarHBondContact O-CD1 3.31Å; L507-I595 HydrophobicContact CB-CD1 3.82Å; L507-I595 HydrophobicContact CD1-CD1 4.16Å; P508-I595 VanDerWaalsContact CD-CD1 3.46Å; P508-I595 HydrophobicContact CG-CD1 4.22Å; E593-I595 WeakPolarHBondContact OE2-CG2 3.08Å; I595-F640 HydrophobicContact CB-CE1 4.26Å; I595-F640 HydrophobicContact CB-CZ 3.86Å; I595-F640 HydrophobicContact CG2-CE1 3.44Å; I595-F640 VanDerWaalsContact CG2-CE1 3.44Å; I595-F640 HydrophobicContact CG2-CZ 3.5Å; I595-F640 VanDerWaalsContact CG2-CZ 3.5Å; I595-Y709 HydrophobicContact CG2-CE2 4.42Å
596P97.1Very high96.1Very high4 Ų48.4 Ų8.43%0.0266%0.059CC..PPolyproline II helixtrans-61.5155.9174.632.6-36000111.2Y502 R504 Q594 V598 E601 T620 D622Y502-P596 HydrophobicContact CD2-CB 4.29Å; Y502-P596 CarbonylContact O-C 3.56Å; Y502-P596 VanDerWaalsContact O-CA 3.24Å; Y502-P596 WeakPolarHBondContact O-CA 3.18Å; R504-P596 PolarHBondContact NH2-O 3.28Å; Q594-P596 WeakPolarHBondContact O-CD 3.24Å; P596-V598 PolarHBondContact O-N 3.28Å; P596-E601 HydrophobicContact CB-CB 3.85Å; P596-E601 HydrophobicContact CG-CB 3.64Å; P596-E601 HydrophobicContact CG-CG 4.38Å; P596-T620 WeakPolarHBondContact CD-OG1 3.45Å; P596-T620 WeakPolarHBondContact O-CG2 3.45Å; P596-T620 PolarHBondContact O-OG1 3.12Å; P596-D622 HydrophobicContact CG-CB 3.95Å; P596-D622 WeakPolarHBondContact CG-OD2 3.42Å
597C96.2Very high96Very high0 Ų08.5 Ų8.50%06%0.06CC..PPolyproline II helixtrans-62.9132168.9-178.20000109Y502 G599 T600 D622 F700Y502-C597 PolarHBondContact O-N 3.21Å; C597-G599 PolarHBondContact O-N 3.49Å; C597-T600 HydrophobicContact CB-CG2 4.1Å; C597-T600 WeakPolarHBondContact O-CB 3.27Å; C597-T600 WeakPolarHBondContact O-CG2 3.23Å; C597-T600 PolarHBondContact O-N 2.91Å; C597-T600 PolarHBondContact O-OG1 3.07Å; C597-D622 VanDerWaalsContact O-OD2 3.08Å; C597-F700 HydrophobicContact CB-CB 3.97Å; C597-F700 HydrophobicContact CB-CD1 4.32Å; C597-F700 WeakPolarHBondContact CB-O 3.39Å; C597-F700 PolarHBondContact SG-O 3.45Å; C597-F700 VanDerWaalsContact SG-O 3.33Å
598V94.9Very high96Very high2 Ų28.5 Ų8.51%0.0126%0.06CC..THydrogen-bonded Turntrans-59.2132.7-174.7175.50000111.2P596 T620 D622 R642 I644 V647P596-V598 PolarHBondContact O-N 3.28Å; V598-T620 HydrophobicContact CG2-CG2 4.09Å; V598-D622 HydrophobicContact CG2-CB 4.29Å; V598-R642 WeakPolarHBondContact CG2-O 3.37Å; V598-I644 HydrophobicContact CG1-CB 3.8Å; V598-I644 HydrophobicContact CG1-CD1 4.1Å; V598-V647 HydrophobicContact CB-CG2 4.23Å
599G90.8Very high96Very high14 Ų149.9 Ų9.914%0.1447%0.066CC..THydrogen-bonded Turntrans92.79.2-17500000114.8C597 D622C597-G599 PolarHBondContact O-N 3.49Å; G599-D622 PolarHBondContact N-OD1 3.34Å
600T92.2Very high96Very high5 Ų510 Ų103%0.0317%0.066CC..SBendtrans-117.4-32-174.964.80000114.1Q308 Y502 C597 D622 F700Q308-T600 HydrophobicContact CG-CG2 4.45Å; Y502-T600 WeakPolarHBondContact CD2-OG1 3.38Å; C597-T600 HydrophobicContact CB-CG2 4.1Å; C597-T600 WeakPolarHBondContact O-CB 3.27Å; C597-T600 WeakPolarHBondContact O-CG2 3.23Å; C597-T600 PolarHBondContact O-N 2.91Å; C597-T600 PolarHBondContact O-OG1 3.07Å; T600-D622 PolarHBondContact N-OD2 3.48Å; T600-F700 HydrophobicContact CG2-CD1 4.41Å
601E92.3Very high96Very high31 Ų319.7 Ų9.715%0.1457%0.065CC..  trans-90.8115.4176.1-168.981-145.100111.2K503 P596 S603 D622 G623K503-E601 IonicContact NZ-OE1 3.22Å; K503-E601 PolarHBondContact NZ-OE1 3.01Å; K503-E601 IonicContact NZ-OE2 3.43Å; K503-E601 PolarHBondContact NZ-OE2 3.22Å; P596-E601 HydrophobicContact CB-CB 3.85Å; P596-E601 HydrophobicContact CG-CB 3.64Å; P596-E601 HydrophobicContact CG-CG 4.38Å; E601-S603 VanDerWaalsContact C-N 3.26Å; E601-S603 PolarHBondContact O-N 3.43Å; E601-D622 WeakPolarHBondContact CB-OD2 3.22Å; E601-D622 PolarHBondContact N-OD2 2.9Å; E601-G623 WeakPolarHBondContact O-CA 3.41Å; E601-G623 PolarHBondContact O-N 2.95Å
602A92.7Very high96Very high11 Ų119.8 Ų9.89%0.0917%0.065CC..SBendtrans-61.3-33.9177.600000113.5H305 S307 V383 S384 Q387H305-A602 VanDerWaalsContact O-CB 3.23Å; H305-A602 WeakPolarHBondContact O-CB 3.22Å; S307-A602 VanDerWaalsContact OG-CA 3.22Å; S307-A602 WeakPolarHBondContact OG-CA 2.9Å; S307-A602 WeakPolarHBondContact OG-CB 3.1Å; S307-A602 PolarHBondContact OG-N 3.09Å; V383-A602 HydrophobicContact CG2-CB 3.71Å; S384-A602 VanDerWaalsContact CB-O 3.24Å; S384-A602 WeakPolarHBondContact CB-O 3.38Å; S384-A602 PolarHBondContact OG-O 2.97Å; Q387-A602 HydrophobicContact CB-CB 4.3Å; Q387-A602 WeakPolarHBondContact CB-O 3.47Å; Q387-A602 HydrophobicContact CG-CB 3.8Å
603S93.4Very high96Very high3 Ų39.9 Ų9.92%0.0217%0.065CC..  trans-158-65.9-179.8163.60000111.6V383 N412 E601 N607 S624V383-S603 WeakPolarHBondContact O-CB 3.42Å; V383-S603 PolarHBondContact O-OG 3.21Å; N412-S603 PolarHBondContact ND2-OG 3.25Å; E601-S603 VanDerWaalsContact C-N 3.26Å; E601-S603 PolarHBondContact O-N 3.43Å; S603-N607 PolarHBondContact O-ND2 3.42Å; S603-S624 WeakPolarHBondContact CA-OG 3.27Å; S603-S624 WeakPolarHBondContact CB-OG 3.4Å; S603-S624 VanDerWaalsContact O-CB 3.27Å; S603-S624 WeakPolarHBondContact O-CB 3.27Å; S603-S624 PolarHBondContact O-N 2.85Å; S603-S624 PolarHBondContact OG-OG 2.95Å
604G89.5Confident95.9Very high15 Ų159.9 Ų9.916%0.1557%0.066CC..  trans78.3128.7-166.800000111.7N607G604-N607 PolarHBondContact O-ND2 3.49Å; G604-N607 PolarHBondContact O-OD1 3.09Å
605T96.2Very high95.9Very high51 Ų519.3 Ų9.331%0.3136%0.063SC..SBendtrans-113.5-8.9174.658.20000112.8N412 N607 M608 K609N412-T605 HydrophobicContact CB-CG2 3.92Å; T605-N607 WeakPolarHBondContact CA-OD1 3.38Å; T605-M608 HydrophobicContact CG2-SD 4.43Å; T605-K609 WeakPolarHBondContact O-CE 3.2Å; T605-K609 WeakPolarHBondContact O-CG 3.33Å; T605-K609 PolarHBondContact O-N 3.31Å
606G96.4Very high95.9Very high20 Ų209.3 Ų9.321%0.2066%0.063CC..Hα-helixtrans-64.2-48.3174.100000111.3M608 K609 F610G606-M608 VanDerWaalsContact C-N 3.32Å; G606-M608 PolarHBondContact O-N 3.36Å; G606-K609 WeakPolarHBondContact O-CB 3.32Å; G606-K609 PolarHBondContact O-N 3.38Å; G606-F610 WeakPolarHBondContact O-CD2 3.31Å; G606-F610 PolarHBondContact O-N 3.09Å; G606-F610 VanDerWaalsContact O-N 3.11Å
607N97.4Very high96Very high2 Ų29.1 Ų9.11%0.0116%0.062CC..Hα-helixtrans-46.5-48.5173.253.30.7000113Q594 S603 G604 T605 K609 F610 M611 N625 I628Q594-N607 HydrophobicContact CB-CB 4.46Å; Q594-N607 HydrophobicContact CG-CB 3.66Å; S603-N607 PolarHBondContact O-ND2 3.42Å; G604-N607 PolarHBondContact O-ND2 3.49Å; G604-N607 PolarHBondContact O-OD1 3.09Å; T605-N607 WeakPolarHBondContact CA-OD1 3.38Å; N607-K609 VanDerWaalsContact C-N 3.31Å; N607-K609 PolarHBondContact O-N 2.95Å; N607-F610 PolarHBondContact O-N 2.69Å; N607-M611 WeakPolarHBondContact O-CB 3.46Å; N607-M611 PolarHBondContact O-N 2.96Å; N607-N625 PolarHBondContact ND2-OD1 2.95Å; N607-I628 HydrophobicContact CB-CD1 3.63Å
608M98.4Very high96.1Very high1 Ų19.1 Ų9.11%0.0056%0.062CC..Hα-helixtrans-61.6-37.8178.5-58.8171.3-172.600112.1N412 I414 T605 G606 L612 S624 I628 F740N412-M608 HydrophobicContact CB-CE 4.07Å; N412-M608 WeakPolarHBondContact O-CE 3.36Å; I414-M608 VanDerWaalsContact CD1-C 3.5Å; I414-M608 HydrophobicContact CD1-CB 3.91Å; I414-M608 WeakPolarHBondContact CD1-O 3.3Å; I414-M608 HydrophobicContact CG1-CB 4.11Å; I414-M608 HydrophobicContact CG2-CB 4.12Å; I414-M608 HydrophobicContact CG2-SD 4.33Å; T605-M608 HydrophobicContact CG2-SD 4.43Å; G606-M608 VanDerWaalsContact C-N 3.32Å; G606-M608 PolarHBondContact O-N 3.36Å; M608-L612 WeakPolarHBondContact O-CB 3.29Å; M608-L612 PolarHBondContact O-N 3.27Å; M608-S624 WeakPolarHBondContact CE-OG 3.37Å; M608-I628 HydrophobicContact CG-CD1 4.31Å; M608-F740 HydrophobicContact CB-CB 4.03Å; M608-F740 HydrophobicContact CB-CG 4.5Å; M608-F740 HydrophobicContact CE-CD1 3.84Å; M608-F740 HydrophobicContact CE-CE1 4.48Å; M608-F740 HydrophobicContact CG-CB 3.82Å; M608-F740 HydrophobicContact CG-CD1 3.93Å; M608-F740 HydrophobicContact CG-CG 3.93Å; M608-F740 HydrophobicContact SD-CB 3.94Å; M608-F740 HydrophobicContact SD-CD1 4.04Å; M608-F740 HydrophobicContact SD-CG 4.33Å
609K98.6Very high96.3Very high30 Ų309 Ų913%0.136%0.062CC..Hα-helixtrans-69.7-40.5-179.7-58.6163.9-168.7174.10110.9I414 W419 I586 T605 G606 N607 N613I414-K609 HydrophobicContact CB-CG 4.46Å; I414-K609 VanDerWaalsContact CD1-CA 3.48Å; I414-K609 HydrophobicContact CD1-CB 4.1Å; I414-K609 HydrophobicContact CD1-CG 3.66Å; I414-K609 HydrophobicContact CG2-CG 3.97Å; W419-K609 HydrophobicContact CB-CG 4.29Å; W419-K609 HydrophobicContact CD2-CD 3.67Å; W419-K609 HydrophobicContact CD2-CG 3.83Å; W419-K609 VanDerWaalsContact CE2-CE 3.46Å; W419-K609 HydrophobicContact CE3-CD 3.84Å; W419-K609 HydrophobicContact CE3-CG 4.17Å; W419-K609 HydrophobicContact CG-CD 4.23Å; W419-K609 HydrophobicContact CG-CG 3.88Å; W419-K609 HydrophobicContact CH2-CD 4.12Å; W419-K609 HydrophobicContact CZ2-CD 3.95Å; W419-K609 HydrophobicContact CZ3-CD 4.07Å; I586-K609 HydrophobicContact CD1-CB 3.83Å; I586-K609 HydrophobicContact CD1-CD 3.85Å; I586-K609 HydrophobicContact CD1-CG 4.43Å; I586-K609 HydrophobicContact CG2-CB 4.07Å; I586-K609 WeakPolarHBondContact CG2-O 3.31Å; T605-K609 WeakPolarHBondContact O-CE 3.2Å; T605-K609 WeakPolarHBondContact O-CG 3.33Å; T605-K609 PolarHBondContact O-N 3.31Å; G606-K609 WeakPolarHBondContact O-CB 3.32Å; G606-K609 PolarHBondContact O-N 3.38Å; N607-K609 VanDerWaalsContact C-N 3.31Å; N607-K609 PolarHBondContact O-N 2.95Å; K609-N613 PolarHBondContact O-N 3.33Å; K609-N613 PolarHBondContact O-ND2 2.87Å
610F98.6Very high96.6Very high1 Ų18.3 Ų8.30%0.0046%0.055CC..Hα-helixtrans-64.8-49.1176-77.8-66.5000111.6V494 V496 I586 T589 S592 G606 N607 L612 N613 G614 A615V494-F610 HydrophobicContact CG1-CE1 4.37Å; V494-F610 HydrophobicContact CG1-CZ 4.1Å; V496-F610 HydrophobicContact CG2-CE2 4.07Å; V496-F610 HydrophobicContact CG2-CZ 3.62Å; I586-F610 HydrophobicContact CB-CD1 4.41Å; I586-F610 HydrophobicContact CB-CE1 4.16Å; I586-F610 HydrophobicContact CG1-CD1 4.27Å; I586-F610 HydrophobicContact CG1-CE1 3.75Å; I586-F610 HydrophobicContact CG1-CE2 4.3Å; I586-F610 HydrophobicContact CG1-CZ 3.78Å; I586-F610 HydrophobicContact CG2-CD1 4.12Å; I586-F610 HydrophobicContact CG2-CE1 4.36Å; T589-F610 HydrophobicContact CG2-CD1 3.7Å; T589-F610 HydrophobicContact CG2-CE1 3.62Å; T589-F610 VanDerWaalsContact OG1-CE1 3.29Å; T589-F610 WeakPolarHBondContact OG1-CE1 3.37Å; S592-F610 WeakPolarHBondContact OG-CD2 3.37Å; S592-F610 WeakPolarHBondContact OG-CE2 3.33Å; S592-F610 WeakPolarHBondContact OG-CG 3.36Å; G606-F610 WeakPolarHBondContact O-CD2 3.31Å; G606-F610 PolarHBondContact O-N 3.09Å; G606-F610 VanDerWaalsContact O-N 3.11Å; N607-F610 PolarHBondContact O-N 2.69Å; F610-L612 VanDerWaalsContact C-N 3.35Å; F610-L612 PolarHBondContact O-N 3.43Å; F610-N613 CarbonylContact O-C 3.58Å; F610-N613 PolarHBondContact O-N 3.32Å; F610-G614 PolarHBondContact O-N 3.21Å; F610-A615 HydrophobicContact CB-CB 3.94Å; F610-A615 HydrophobicContact CD1-CB 3.96Å; F610-A615 HydrophobicContact CG-CB 4.41Å; F610-A615 PolarHBondContact O-N 3.3Å
611M98.2Very high96.8Very high0 Ų011 Ų110%07%0.068CC..Hα-helixtrans-53.4-49.9175.1-178.3-168.1-173.400111.6N607 N613 G614 I628 V632 N733 A736 A737 F740N607-M611 WeakPolarHBondContact O-CB 3.46Å; N607-M611 PolarHBondContact O-N 2.96Å; M611-N613 PolarHBondContact O-N 3.17Å; M611-G614 PolarHBondContact O-N 3.28Å; M611-G614 VanDerWaalsContact O-N 3.1Å; M611-I628 HydrophobicContact CE-CG2 4.36Å; M611-I628 HydrophobicContact SD-CB 4.45Å; M611-I628 HydrophobicContact SD-CG1 4.04Å; M611-I628 HydrophobicContact SD-CG2 3.86Å; M611-V632 HydrophobicContact CE-CB 4.3Å; M611-N733 WeakPolarHBondContact CE-O 3.45Å; M611-N733 HydrophobicContact CG-CB 4.22Å; M611-N733 WeakPolarHBondContact CG-O 3.26Å; M611-A736 VanDerWaalsContact CE-C 3.45Å; M611-A736 HydrophobicContact CE-CB 3.62Å; M611-A737 HydrophobicContact CE-CB 4.31Å; M611-A737 HydrophobicContact CG-CB 4.2Å; M611-A737 HydrophobicContact SD-CB 4.15Å; M611-F740 HydrophobicContact CE-CD2 4.33Å; M611-F740 HydrophobicContact CE-CE2 3.97Å; M611-F740 HydrophobicContact SD-CD2 3.65Å; M611-F740 HydrophobicContact SD-CE2 3.63Å
612L98.3Very high96.8Very high1 Ų19.6 Ų9.61%0.0056%0.061CC..Hα-helixtrans-62.6-25.8-180-175.760.7000113.4I414 P416 L420 L444 L447 M608 F610 A737I414-L612 HydrophobicContact CD1-CB 4.36Å; I414-L612 HydrophobicContact CD1-CD2 3.93Å; P416-L612 HydrophobicContact CB-CD2 4.37Å; L420-L612 HydrophobicContact CB-CD2 3.9Å; L420-L612 HydrophobicContact CB-CG 4.16Å; L420-L612 HydrophobicContact CD2-CD1 3.79Å; L420-L612 HydrophobicContact CD2-CD2 4.38Å; L420-L612 HydrophobicContact CD2-CG 4.03Å; L444-L612 HydrophobicContact CD1-CD1 4.29Å; L444-L612 HydrophobicContact CD2-CD1 4.12Å; L444-L612 HydrophobicContact CD2-CD2 4.41Å; L447-L612 HydrophobicContact CD1-CD1 3.72Å; M608-L612 WeakPolarHBondContact O-CB 3.29Å; M608-L612 PolarHBondContact O-N 3.27Å; F610-L612 VanDerWaalsContact C-N 3.35Å; F610-L612 PolarHBondContact O-N 3.43Å; L612-A737 HydrophobicContact CB-CB 4.21Å; L612-A737 HydrophobicContact CD1-CB 3.76Å
613N98.7Very high96.9Very high2 Ų29 Ų91%0.0116%0.057CC..THydrogen-bonded Turntrans-98.710.9179.2-76.8-88.2000113.5W419 N424 K467 I586 K609 F610 M611W419-N613 PolarHBondContact O-ND2 2.92Å; N424-N613 VanDerWaalsContact CB-OD1 3.24Å; N424-N613 WeakPolarHBondContact CB-OD1 3.37Å; N424-N613 PolarHBondContact ND2-OD1 3.25Å; K467-N613 PolarHBondContact NZ-O 3.12Å; I586-N613 HydrophobicContact CG2-CB 3.95Å; K609-N613 PolarHBondContact O-N 3.33Å; K609-N613 PolarHBondContact O-ND2 2.87Å; F610-N613 CarbonylContact O-C 3.58Å; F610-N613 PolarHBondContact O-N 3.32Å; M611-N613 PolarHBondContact O-N 3.17Å
614G97.8Very high96.9Very high2 Ų28.9 Ų8.92%0.0216%0.056CC..THydrogen-bonded Turntrans72.430.917600000114.3F610 M611 V730F610-G614 PolarHBondContact O-N 3.21Å; M611-G614 PolarHBondContact O-N 3.28Å; M611-G614 VanDerWaalsContact O-N 3.1Å; G614-V730 WeakPolarHBondContact O-CG1 3.39Å
615A98.6Very high97.3Very high0 Ų08.4 Ų8.40%05%0.049CC..  trans-88.8136.2161.900000109.1T589 D590 F610T589-A615 HydrophobicContact CG2-CB 3.8Å; T589-A615 WeakPolarHBondContact O-CB 3.35Å; D590-A615 CarbonylContact O-C 3.58Å; D590-A615 WeakPolarHBondContact O-CA 3.3Å; F610-A615 HydrophobicContact CB-CB 3.94Å; F610-A615 HydrophobicContact CD1-CB 3.96Å; F610-A615 HydrophobicContact CG-CB 4.41Å; F610-A615 PolarHBondContact O-N 3.3Å
616L98.6Very high97.3Very high0 Ų07.3 Ų7.30%04%0.041CC..EExtended strand (participates in β ladder)trans-76.1152.2171.7-57.7-170.5000109.8D590 L591 S592 F638 W726 M729 V730 N733D590-L616 PolarHBondContact O-N 3.39Å; L591-L616 CarbonylContact C-O 3.6Å; L591-L616 WeakPolarHBondContact CA-O 3.28Å; L591-L616 HydrophobicContact CD1-CB 4.39Å; S592-L616 PolarHBondContact N-O 2.93Å; L616-F638 HydrophobicContact CB-CE2 3.98Å; L616-F638 HydrophobicContact CD1-CE2 3.81Å; L616-F638 HydrophobicContact CD1-CZ 4.18Å; L616-W726 HydrophobicContact CB-CH2 4.26Å; L616-W726 HydrophobicContact CD1-CD2 3.85Å; L616-W726 HydrophobicContact CD1-CE3 3.58Å; L616-W726 HydrophobicContact CD1-CH2 3.66Å; L616-W726 HydrophobicContact CD1-CZ2 3.88Å; L616-W726 HydrophobicContact CD1-CZ3 3.52Å; L616-W726 HydrophobicContact CG-CH2 4.06Å; L616-W726 HydrophobicContact CG-CZ2 4Å; L616-W726 HydrophobicContact CG-CZ3 4.42Å; L616-M729 HydrophobicContact CD1-CB 3.84Å; L616-M729 HydrophobicContact CD1-CE 3.84Å; L616-M729 HydrophobicContact CD1-SD 4.12Å; L616-M729 HydrophobicContact CD2-CB 3.74Å; L616-M729 HydrophobicContact CG-CB 4.49Å; L616-V730 HydrophobicContact CD2-CG2 4Å; L616-V730 HydrophobicContact CG-CG2 4.19Å; L616-N733 VanDerWaalsContact CD2-ND2 3.27Å; L616-N733 WeakPolarHBondContact CD2-ND2 3.46Å
617T98.6Very high97.3Very high0 Ų06.5 Ų6.50%03%0.032CC..EExtended strand (participates in β ladder)trans-107.5125.1-178.2-59.70000110.2Q594 F629 F638Q594-T617 HydrophobicContact CB-CG2 3.79Å; Q594-T617 HydrophobicContact CG-CG2 3.67Å; T617-F629 HydrophobicContact CG2-CE1 3.88Å; T617-F629 HydrophobicContact CG2-CZ 4.06Å; T617-F638 PolarHBondContact O-N 2.97Å
618I98.7Very high97.3Very high0 Ų06.4 Ų6.40%03%0.032CC..EExtended strand (participates in β ladder)trans-97.9128.2157.9-177.2169.1000107.7L591 S592 E593 Q594 F638 F640 Y709 A712 Q713 V716L591-I618 HydrophobicContact CD1-CB 4.09Å; L591-I618 HydrophobicContact CD1-CG2 4Å; L591-I618 HydrophobicContact CD2-CB 4.38Å; L591-I618 HydrophobicContact CD2-CG2 3.69Å; L591-I618 HydrophobicContact CG-CB 4.41Å; L591-I618 HydrophobicContact CG-CG2 3.78Å; S592-I618 PolarHBondContact O-N 3.34Å; E593-I618 VanDerWaalsContact CD-CG2 3.46Å; E593-I618 HydrophobicContact CG-CG2 4.21Å; E593-I618 VanDerWaalsContact OE2-CG2 3.25Å; E593-I618 WeakPolarHBondContact OE2-CG2 3.45Å; Q594-I618 PolarHBondContact N-O 3.35Å; I618-F638 CarbonylContact C-O 3.08Å; I618-F638 VanDerWaalsContact CA-O 3.29Å; I618-F638 WeakPolarHBondContact CA-O 3.42Å; I618-F638 HydrophobicContact CB-CB 4.04Å; I618-F638 HydrophobicContact CG1-CB 4.07Å; I618-F640 HydrophobicContact CD1-CD1 4.32Å; I618-F640 HydrophobicContact CD1-CE1 4.39Å; I618-F640 HydrophobicContact CG1-CD1 3.77Å; I618-F640 HydrophobicContact CG1-CE1 3.81Å; I618-Y709 HydrophobicContact CD1-CD2 3.96Å; I618-Y709 HydrophobicContact CD1-CE2 3.73Å; I618-Y709 HydrophobicContact CG1-CE2 4.42Å; I618-A712 HydrophobicContact CD1-CB 3.87Å; I618-A712 HydrophobicContact CG1-CB 4.37Å; I618-Q713 HydrophobicContact CD1-CG 3.89Å; I618-V716 HydrophobicContact CD1-CG2 4.28Å
619G98.1Very high97.2Very high0 Ų06.4 Ų6.40%03%0.031CC..EExtended strand (participates in β ladder)trans-171.3166.1-171.400000116.1Q594 F638 V639 F640Q594-G619 WeakPolarHBondContact O-CA 3.37Å; G619-F638 PolarHBondContact N-O 2.85Å; G619-V639 WeakPolarHBondContact O-CA 3.36Å; G619-F640 PolarHBondContact O-N 3.32Å; G619-F640 VanDerWaalsContact O-N 3.15Å
620T97.5Very high97.1Very high0 Ų010.3 Ų10.30%05%0.05CC..  trans-86.9158.9171.643.90000111.7Q594 P596 V598 D622 N625 F640Q594-T620 PolarHBondContact O-N 2.92Å; P596-T620 WeakPolarHBondContact CD-OG1 3.45Å; P596-T620 WeakPolarHBondContact O-CG2 3.45Å; P596-T620 PolarHBondContact O-OG1 3.12Å; V598-T620 HydrophobicContact CG2-CG2 4.09Å; T620-D622 PolarHBondContact O-N 3.4Å; T620-N625 VanDerWaalsContact O-CB 3.3Å; T620-N625 WeakPolarHBondContact O-CB 3.32Å; T620-N625 PolarHBondContact O-ND2 3.41Å; T620-F640 WeakPolarHBondContact CA-O 3.34Å; T620-F640 HydrophobicContact CG2-CE2 4.44Å; T620-F640 HydrophobicContact CG2-CZ 4.37Å; T620-F640 WeakPolarHBondContact CG2-O 3.33Å
621M95.7Very high97Very high61 Ų6113.4 Ų13.430%0.37%0.065SC..SBendtrans-73.765.4170.6-68.9-65.3-72.900110.9I626 F629 V639M621-I626 HydrophobicContact CB-CG1 4.23Å; M621-I626 HydrophobicContact CE-CB 4.38Å; M621-I626 HydrophobicContact CE-CG1 4.08Å; M621-I626 HydrophobicContact CE-CG2 4.06Å; M621-F629 HydrophobicContact SD-CD2 3.58Å; M621-F629 VanDerWaalsContact SD-CD2 3.58Å; M621-F629 HydrophobicContact SD-CE2 4.21Å; M621-V639 HydrophobicContact CG-CG1 3.79Å; M621-V639 HydrophobicContact SD-CG1 4.07Å
622D94Very high96.8Very high1 Ų113.5 Ų13.51%0.0057%0.065CC..  trans-132.9149.5-178.8-160.730.7000112.1F386 P596 C597 V598 G599 T600 E601 T620 S624 N625F386-D622 WeakPolarHBondContact CE1-OD1 3.45Å; P596-D622 HydrophobicContact CG-CB 3.95Å; P596-D622 WeakPolarHBondContact CG-OD2 3.42Å; C597-D622 VanDerWaalsContact O-OD2 3.08Å; V598-D622 HydrophobicContact CG2-CB 4.29Å; G599-D622 PolarHBondContact N-OD1 3.34Å; T600-D622 PolarHBondContact N-OD2 3.48Å; E601-D622 WeakPolarHBondContact CB-OD2 3.22Å; E601-D622 PolarHBondContact N-OD2 2.9Å; T620-D622 PolarHBondContact O-N 3.4Å; D622-S624 PolarHBondContact O-N 2.87Å; D622-N625 VanDerWaalsContact O-CB 3.24Å; D622-N625 WeakPolarHBondContact O-CB 3.46Å; D622-N625 PolarHBondContact O-N 2.91Å
623G93.3Very high96.6Very high0 Ų014.7 Ų14.70%08%0.078CC..THydrogen-bonded Turntrans48.6-133.9179.800000114E601 N625E601-G623 WeakPolarHBondContact O-CA 3.41Å; E601-G623 PolarHBondContact O-N 2.95Å; G623-N625 VanDerWaalsContact C-N 3.25Å; G623-N625 PolarHBondContact O-N 3.4Å
624S95Very high96.2Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-77.6-4.1179.9-63.40000113.8S603 M608 D622 I626 E627 I628S603-S624 WeakPolarHBondContact CA-OG 3.27Å; S603-S624 WeakPolarHBondContact CB-OG 3.4Å; S603-S624 VanDerWaalsContact O-CB 3.27Å; S603-S624 WeakPolarHBondContact O-CB 3.27Å; S603-S624 PolarHBondContact O-N 2.85Å; S603-S624 PolarHBondContact OG-OG 2.95Å; M608-S624 WeakPolarHBondContact CE-OG 3.37Å; D622-S624 PolarHBondContact O-N 2.87Å; S624-I626 PolarHBondContact O-N 3.22Å; S624-E627 PolarHBondContact O-N 2.91Å; S624-I628 WeakPolarHBondContact O-CG1 3.35Å; S624-I628 PolarHBondContact O-N 3.31Å
625N96.6Very high96Very high4 Ų424.3 Ų24.32%0.02113%0.132CC..Hα-helixtrans-62.6-36.5171.3-67.4-10.1000111Q594 N607 T620 D622 G623 E627 I628 F629Q594-N625 PolarHBondContact O-ND2 3.46Å; N607-N625 PolarHBondContact ND2-OD1 2.95Å; T620-N625 VanDerWaalsContact O-CB 3.3Å; T620-N625 WeakPolarHBondContact O-CB 3.32Å; T620-N625 PolarHBondContact O-ND2 3.41Å; D622-N625 VanDerWaalsContact O-CB 3.24Å; D622-N625 WeakPolarHBondContact O-CB 3.46Å; D622-N625 PolarHBondContact O-N 2.91Å; G623-N625 VanDerWaalsContact C-N 3.25Å; G623-N625 PolarHBondContact O-N 3.4Å; N625-E627 VanDerWaalsContact C-N 3.31Å; N625-E627 PolarHBondContact O-N 2.81Å; N625-I628 PolarHBondContact O-N 3Å; N625-I628 VanDerWaalsContact O-N 3.16Å; N625-F629 HydrophobicContact CB-CD2 4.28Å; N625-F629 HydrophobicContact CB-CE2 3.78Å; N625-F629 HydrophobicContact CB-CZ 4.05Å; N625-F629 WeakPolarHBondContact O-CB 3.43Å; N625-F629 WeakPolarHBondContact O-CD2 3.43Å; N625-F629 WeakPolarHBondContact O-CG 3.26Å; N625-F629 PolarHBondContact O-N 3.24Å
626I95.9Very high95.9Very high29 Ų2925.6 Ų25.615%0.14914%0.139CC..Hα-helixtrans-56-50176.7-61.5172.8000109.9F386 M621 S624 F629 Q630F386-I626 HydrophobicContact CB-CD1 3.75Å; F386-I626 HydrophobicContact CD2-CD1 3.54Å; F386-I626 HydrophobicContact CE2-CD1 4.26Å; F386-I626 HydrophobicContact CG-CD1 3.69Å; M621-I626 HydrophobicContact CB-CG1 4.23Å; M621-I626 HydrophobicContact CE-CB 4.38Å; M621-I626 HydrophobicContact CE-CG1 4.08Å; M621-I626 HydrophobicContact CE-CG2 4.06Å; S624-I626 PolarHBondContact O-N 3.22Å; I626-F629 PolarHBondContact O-N 3.38Å; I626-Q630 VanDerWaalsContact O-CG 3.27Å; I626-Q630 WeakPolarHBondContact O-CG 3.43Å; I626-Q630 PolarHBondContact O-N 3.49Å
627E96.8Very high95.8Very high3 Ų326 Ų261%0.01414%0.143CC..Hα-helixtrans-65.7-39.6178.3-65.9176.87800111.4S384 I385 T411 S624 N625 Q630 E631 K739 F740S384-E627 WeakPolarHBondContact CB-OE2 3.38Å; I385-E627 HydrophobicContact CD1-CG 4.22Å; I385-E627 PolarHBondContact N-OE2 2.88Å; T411-E627 WeakPolarHBondContact CB-OE1 3.48Å; T411-E627 WeakPolarHBondContact CG2-OE1 3.3Å; T411-E627 VanDerWaalsContact CG2-OE2 3.23Å; T411-E627 WeakPolarHBondContact CG2-OE2 3.48Å; T411-E627 PolarHBondContact OG1-OE1 2.74Å; T411-E627 PolarHBondContact OG1-OE2 2.83Å; S624-E627 PolarHBondContact O-N 2.91Å; N625-E627 VanDerWaalsContact C-N 3.31Å; N625-E627 PolarHBondContact O-N 2.81Å; E627-Q630 PolarHBondContact O-N 3.39Å; E627-E631 VanDerWaalsContact O-CG 3.32Å; E627-E631 WeakPolarHBondContact O-CG 3.23Å; E627-E631 PolarHBondContact O-N 2.93Å; E627-K739 IonicContact OE1-NZ 2.88Å; E627-F740 HydrophobicContact CB-CE1 4.03Å; E627-F740 HydrophobicContact CB-CZ 4.17Å
628I96.8Very high95.8Very high0 Ų026.2 Ų26.20%014%0.143CC..Hα-helixtrans-60.8-47.4176-72.2168.9000111.1N607 M608 M611 S624 N625 Q630 E631 V632 F740N607-I628 HydrophobicContact CB-CD1 3.63Å; M608-I628 HydrophobicContact CG-CD1 4.31Å; M611-I628 HydrophobicContact CE-CG2 4.36Å; M611-I628 HydrophobicContact SD-CB 4.45Å; M611-I628 HydrophobicContact SD-CG1 4.04Å; M611-I628 HydrophobicContact SD-CG2 3.86Å; S624-I628 WeakPolarHBondContact O-CG1 3.35Å; S624-I628 PolarHBondContact O-N 3.31Å; N625-I628 PolarHBondContact O-N 3Å; N625-I628 VanDerWaalsContact O-N 3.16Å; I628-Q630 VanDerWaalsContact C-N 3.29Å; I628-Q630 PolarHBondContact O-N 2.68Å; I628-E631 PolarHBondContact O-N 3.11Å; I628-V632 VanDerWaalsContact O-CG1 3.29Å; I628-V632 WeakPolarHBondContact O-CG1 3.44Å; I628-V632 PolarHBondContact O-N 3.4Å; I628-F740 HydrophobicContact CB-CE2 4.45Å; I628-F740 HydrophobicContact CB-CZ 4.21Å; I628-F740 HydrophobicContact CG1-CD2 4.34Å; I628-F740 HydrophobicContact CG1-CE1 3.94Å; I628-F740 HydrophobicContact CG1-CE2 3.7Å; I628-F740 HydrophobicContact CG1-CZ 3.48Å; I628-F740 VanDerWaalsContact CG1-CZ 3.48Å
629F96.9Very high95.8Very high0 Ų028.3 Ų28.30%016%0.156CC..Hα-helixtrans-67.6-29.4-178.7-60.2-29.8000112.8T617 M621 N625 I626 G633 H634 A637 V639T617-F629 HydrophobicContact CG2-CE1 3.88Å; T617-F629 HydrophobicContact CG2-CZ 4.06Å; M621-F629 HydrophobicContact SD-CD2 3.58Å; M621-F629 VanDerWaalsContact SD-CD2 3.58Å; M621-F629 HydrophobicContact SD-CE2 4.21Å; N625-F629 HydrophobicContact CB-CD2 4.28Å; N625-F629 HydrophobicContact CB-CE2 3.78Å; N625-F629 HydrophobicContact CB-CZ 4.05Å; N625-F629 WeakPolarHBondContact O-CB 3.43Å; N625-F629 WeakPolarHBondContact O-CD2 3.43Å; N625-F629 WeakPolarHBondContact O-CG 3.26Å; N625-F629 PolarHBondContact O-N 3.24Å; I626-F629 PolarHBondContact O-N 3.38Å; F629-G633 CarbonylContact O-C 3.55Å; F629-G633 WeakPolarHBondContact O-CA 3.39Å; F629-G633 PolarHBondContact O-N 2.89Å; F629-H634 PolarHBondContact O-ND1 2.82Å; F629-A637 HydrophobicContact CD1-CB 3.42Å; F629-A637 VanDerWaalsContact CD1-CB 3.42Å; F629-A637 HydrophobicContact CE1-CB 3.5Å; F629-A637 HydrophobicContact CG-CB 4.44Å; F629-V639 HydrophobicContact CD1-CG2 4.43Å; F629-V639 HydrophobicContact CD2-CG2 3.73Å; F629-V639 HydrophobicContact CE1-CG2 4.46Å; F629-V639 HydrophobicContact CE2-CG1 4.41Å; F629-V639 HydrophobicContact CE2-CG2 3.75Å; F629-V639 HydrophobicContact CG-CG2 4.08Å; F629-V639 HydrophobicContact CZ-CG2 4.13Å
630Q96.3Very high95.8Very high113 Ų11328.5 Ų28.553%0.52816%0.157SC..Hα-helixtrans-68.1-47.4170.3-73.2169.9-10.300111.7I626 E627 I628I626-Q630 VanDerWaalsContact O-CG 3.27Å; I626-Q630 WeakPolarHBondContact O-CG 3.43Å; I626-Q630 PolarHBondContact O-N 3.49Å; E627-Q630 PolarHBondContact O-N 3.39Å; I628-Q630 VanDerWaalsContact C-N 3.29Å; I628-Q630 PolarHBondContact O-N 2.68Å
631E96.3Very high95.7Very high66 Ų6629.5 Ų29.531%0.30817%0.167SC..Hα-helixtrans-68-38.6-178.1-66.7-59.714000112.9E627 I628 A736 K739 F740E627-E631 VanDerWaalsContact O-CG 3.32Å; E627-E631 WeakPolarHBondContact O-CG 3.23Å; E627-E631 PolarHBondContact O-N 2.93Å; I628-E631 PolarHBondContact O-N 3.11Å; E631-A736 HydrophobicContact CB-CB 4.3Å; E631-A736 WeakPolarHBondContact O-CB 3.43Å; E631-K739 VanDerWaalsContact CD-CD 3.41Å; E631-K739 HydrophobicContact CG-CB 4.36Å; E631-K739 HydrophobicContact CG-CD 3.68Å; E631-K739 WeakPolarHBondContact OE1-CD 3.23Å; E631-K739 IonicContact OE1-NZ 2.79Å; E631-K739 PolarHBondContact OE1-NZ 3.41Å; E631-F740 HydrophobicContact CB-CE2 4.29Å; E631-F740 HydrophobicContact CG-CE2 4.01Å; E631-F740 HydrophobicContact CG-CZ 3.94Å
632V94.9Very high95.7Very high1 Ų128.7 Ų28.71%0.00616%0.161CC..Hα-helixtrans-86.5-22.3-177.579.90000113.3M611 I628 N636 A637 M732 N733 A736M611-V632 HydrophobicContact CE-CB 4.3Å; I628-V632 VanDerWaalsContact O-CG1 3.29Å; I628-V632 WeakPolarHBondContact O-CG1 3.44Å; I628-V632 PolarHBondContact O-N 3.4Å; V632-N636 HydrophobicContact CG1-CB 4.34Å; V632-N636 HydrophobicContact CG2-CB 3.72Å; V632-N636 PolarHBondContact O-ND2 2.81Å; V632-A637 HydrophobicContact CG1-CB 4.41Å; V632-M732 HydrophobicContact CG2-CB 4.45Å; V632-M732 HydrophobicContact CG2-CG 3.94Å; V632-M732 WeakPolarHBondContact O-CE 3.42Å; V632-N733 HydrophobicContact CG2-CB 4.22Å; V632-A736 HydrophobicContact CB-CB 4.28Å; V632-A736 HydrophobicContact CG2-CB 4.35Å
633G94.2Very high95.8Very high27 Ų2731.4 Ų31.428%0.27818%0.178SC..  trans81.1138.5-170.500000112.5F629 S635 N636F629-G633 CarbonylContact O-C 3.55Å; F629-G633 WeakPolarHBondContact O-CA 3.39Å; F629-G633 PolarHBondContact O-N 2.89Å; G633-S635 PolarHBondContact O-N 2.79Å; G633-S635 VanDerWaalsContact O-N 3.09Å; G633-N636 PolarHBondContact O-N 2.73Å
634H89.1Confident95.7Very high115 Ų11533.1 Ų33.153%0.53219%0.186SC..G310 helixtrans-60.2-26-171.1-63.1-7.9000114.4F629 N636 A637F629-H634 PolarHBondContact O-ND1 2.82Å; H634-N636 PolarHBondContact O-N 2.8Å; H634-A637 PolarHBondContact O-N 2.9Å
635S93.8Very high95.7Very high91 Ų9139.1 Ų39.164%0.63622%0.215SC*.G310 helixtrans-68.7-10.8176.261.40000114.3G633G633-S635 PolarHBondContact O-N 2.79Å; G633-S635 VanDerWaalsContact O-N 3.09Å
636N97.2Very high95.6Very high27 Ų2743.5 Ų43.514%0.14424%0.235CC..G310 helixtrans-111.314.3-175.7-60.1-60.6000113.1V632 G633 H634 M732 N733V632-N636 HydrophobicContact CG1-CB 4.34Å; V632-N636 HydrophobicContact CG2-CB 3.72Å; V632-N636 PolarHBondContact O-ND2 2.81Å; G633-N636 PolarHBondContact O-N 2.73Å; H634-N636 PolarHBondContact O-N 2.8Å; N636-M732 HydrophobicContact CB-CG 4.4Å; N636-M732 WeakPolarHBondContact ND2-CG 3.43Å; N636-N733 PolarHBondContact O-ND2 3.27Å
637A97.2Very high95.6Very high9 Ų942.1 Ų42.17%0.07423%0.228CC..SBendtrans-144.4167.6176.500000110.4F629 V632 H634F629-A637 HydrophobicContact CD1-CB 3.42Å; F629-A637 VanDerWaalsContact CD1-CB 3.42Å; F629-A637 HydrophobicContact CE1-CB 3.5Å; F629-A637 HydrophobicContact CG-CB 4.44Å; V632-A637 HydrophobicContact CG1-CB 4.41Å; H634-A637 PolarHBondContact O-N 2.9Å
638F98.3Very high95.4Very high3 Ų345.9 Ų45.91%0.01325%0.248CC..EExtended strand (participates in β ladder)trans-114.594.3179.4-52.6-81.6000109.4L591 L616 T617 I618 G619 E715 V716 A719 W726 M729L591-F638 HydrophobicContact CD1-CD2 3.96Å; L591-F638 HydrophobicContact CD1-CE2 4.11Å; L616-F638 HydrophobicContact CB-CE2 3.98Å; L616-F638 HydrophobicContact CD1-CE2 3.81Å; L616-F638 HydrophobicContact CD1-CZ 4.18Å; T617-F638 PolarHBondContact O-N 2.97Å; I618-F638 CarbonylContact C-O 3.08Å; I618-F638 VanDerWaalsContact CA-O 3.29Å; I618-F638 WeakPolarHBondContact CA-O 3.42Å; I618-F638 HydrophobicContact CB-CB 4.04Å; I618-F638 HydrophobicContact CG1-CB 4.07Å; G619-F638 PolarHBondContact N-O 2.85Å; F638-E715 HydrophobicContact CD1-CB 4.05Å; F638-E715 HydrophobicContact CE1-CB 4.32Å; F638-V716 HydrophobicContact CB-CG2 4.06Å; F638-V716 HydrophobicContact CD1-CG2 3.77Å; F638-V716 HydrophobicContact CD2-CG2 3.49Å; F638-V716 VanDerWaalsContact CD2-CG2 3.49Å; F638-V716 HydrophobicContact CE1-CB 4.43Å; F638-V716 HydrophobicContact CE1-CG2 4.02Å; F638-V716 HydrophobicContact CE2-CB 4.45Å; F638-V716 HydrophobicContact CE2-CG2 3.75Å; F638-V716 HydrophobicContact CG-CG2 3.49Å; F638-V716 VanDerWaalsContact CG-CG2 3.49Å; F638-V716 HydrophobicContact CZ-CB 4.36Å; F638-V716 HydrophobicContact CZ-CG2 4.01Å; F638-A719 HydrophobicContact CE1-CB 3.9Å; F638-A719 HydrophobicContact CZ-CB 3.69Å; F638-W726 HydrophobicContact CE2-CZ3 4.32Å; F638-W726 HydrophobicContact CZ-CZ3 4.27Å; F638-M729 HydrophobicContact CE1-CE 4.18Å; F638-M729 HydrophobicContact CE2-CE 4.08Å; F638-M729 HydrophobicContact CZ-CE 3.68Å
639V97.3Very high95.3Very high44 Ų4453.2 Ų53.227%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-90.3134.7-177.5-172.70000110G619 M621 F629 R711G619-V639 WeakPolarHBondContact O-CA 3.36Å; M621-V639 HydrophobicContact CG-CG1 3.79Å; M621-V639 HydrophobicContact SD-CG1 4.07Å; F629-V639 HydrophobicContact CD1-CG2 4.43Å; F629-V639 HydrophobicContact CD2-CG2 3.73Å; F629-V639 HydrophobicContact CE1-CG2 4.46Å; F629-V639 HydrophobicContact CE2-CG1 4.41Å; F629-V639 HydrophobicContact CE2-CG2 3.75Å; F629-V639 HydrophobicContact CG-CG2 4.08Å; F629-V639 HydrophobicContact CZ-CG2 4.13Å; V639-R711 PolarHBondContact O-NH2 3.22Å; V639-R711 VanDerWaalsContact O-NH2 3.16Å
640F98Very high95.2Very high5 Ų554.3 Ų54.32%0.02228%0.282CS..  trans-150172.7175.381.6-83.1000111.5L507 I595 I618 G619 T620 D705 D708 Y709 A712L507-F640 HydrophobicContact CD1-CE2 4.28Å; L507-F640 HydrophobicContact CD1-CZ 4.31Å; I595-F640 HydrophobicContact CB-CE1 4.26Å; I595-F640 HydrophobicContact CB-CZ 3.86Å; I595-F640 HydrophobicContact CG2-CE1 3.44Å; I595-F640 VanDerWaalsContact CG2-CE1 3.44Å; I595-F640 HydrophobicContact CG2-CZ 3.5Å; I595-F640 VanDerWaalsContact CG2-CZ 3.5Å; I618-F640 HydrophobicContact CD1-CD1 4.32Å; I618-F640 HydrophobicContact CD1-CE1 4.39Å; I618-F640 HydrophobicContact CG1-CD1 3.77Å; I618-F640 HydrophobicContact CG1-CE1 3.81Å; G619-F640 PolarHBondContact O-N 3.32Å; G619-F640 VanDerWaalsContact O-N 3.15Å; T620-F640 WeakPolarHBondContact CA-O 3.34Å; T620-F640 HydrophobicContact CG2-CE2 4.44Å; T620-F640 HydrophobicContact CG2-CZ 4.37Å; T620-F640 WeakPolarHBondContact CG2-O 3.33Å; F640-D705 HydrophobicContact CE2-CB 4.45Å; F640-D708 VanDerWaalsContact CA-OD2 3.26Å; F640-D708 WeakPolarHBondContact CA-OD2 3.09Å; F640-D708 WeakPolarHBondContact CB-OD2 3.22Å; F640-Y709 HydrophobicContact CD1-CD2 4.11Å; F640-Y709 VanDerWaalsContact CD2-CA 3.49Å; F640-Y709 HydrophobicContact CD2-CD2 4.14Å; F640-Y709 HydrophobicContact CD2-CG 4.37Å; F640-Y709 AromaticContact CE1-CD2 3.57Å; F640-Y709 HydrophobicContact CE1-CD2 3.57Å; F640-Y709 HydrophobicContact CE1-CE2 4.14Å; F640-Y709 VanDerWaalsContact CE2-CB 3.49Å; F640-Y709 AromaticContact CE2-CD2 3.64Å; F640-Y709 HydrophobicContact CE2-CD2 3.64Å; F640-Y709 AromaticContact CE2-CG 3.91Å; F640-Y709 HydrophobicContact CE2-CG 3.91Å; F640-Y709 HydrophobicContact CG-CD2 4.37Å; F640-Y709 AromaticContact CZ-CD2 3.3Å; F640-Y709 HydrophobicContact CZ-CD2 3.3Å; F640-Y709 HydrophobicContact CZ-CE2 4.04Å; F640-Y709 HydrophobicContact CZ-CG 4.02Å; F640-A712 HydrophobicContact CB-CB 3.72Å; F640-A712 HydrophobicContact CD1-CB 4.32Å; F640-A712 HydrophobicContact CG-CB 4.24Å
641G96.4Very high95Very high21 Ų2154.3 Ų54.322%0.21628%0.278CS..SBendtrans87.2176.6175.400000112.1D708G641-D708 PolarHBondContact N-OD2 2.73Å
642R96.3Very high94.9Very high43 Ų4360.4 Ų60.416%0.16230%0.303CS..  trans-71.4153.7-176.2-79.3164.2175.870.90.5113.7V598 E646 V647 Y660 A704 D705V598-R642 WeakPolarHBondContact CG2-O 3.37Å; R642-E646 WeakPolarHBondContact CA-OE2 3.18Å; R642-E646 HydrophobicContact CB-CB 3.91Å; R642-E646 HydrophobicContact CG-CB 3.99Å; R642-V647 HydrophobicContact CB-CG2 3.91Å; R642-Y660 VanDerWaalsContact NH2-CZ 3.29Å; R642-Y660 PolarHBondContact NH2-OH 2.8Å; R642-A704 VanDerWaalsContact CZ-CB 3.49Å; R642-A704 PolarHBondContact NH1-O 3.35Å; R642-A704 PolarHBondContact NH2-O 3.47Å; R642-D705 WeakPolarHBondContact CG-OD1 3.49Å; R642-D705 IonicContact CZ-OD1 3.76Å; R642-D705 PolarHBondContact N-OD1 3.05Å; R642-D705 IonicContact NH1-OD1 2.79Å; R642-D705 PolarHBondContact NH1-OD1 2.8Å
643T95.3Very high95Very high58 Ų5864.1 Ų64.136%0.35633%0.326SS..  trans-75167.4165.682.90000111.4E645 E646 V647T643-E645 VanDerWaalsContact C-N 3.26Å; T643-E645 VanDerWaalsContact CB-OE2 3.27Å; T643-E645 WeakPolarHBondContact CB-OE2 3.36Å; T643-E645 PolarHBondContact O-N 3.1Å; T643-E645 PolarHBondContact OG1-N 2.84Å; T643-E645 PolarHBondContact OG1-OE2 3.09Å; T643-E646 PolarHBondContact N-OE2 2.95Å; T643-E646 PolarHBondContact O-N 3.31Å; T643-E646 PolarHBondContact OG1-N 2.92Å; T643-V647 WeakPolarHBondContact O-CG2 3.13Å; T643-V647 PolarHBondContact O-N 2.85Å
644I91.7Very high94.9Very high36 Ų3665.3 Ų65.319%0.18534%0.338CS..Hα-helixtrans-63-34.8177-172.160.7000111.7F386 V598 V647 N648F386-I644 HydrophobicContact CE2-CB 4.4Å; F386-I644 HydrophobicContact CE2-CG2 4.38Å; F386-I644 HydrophobicContact CZ-CB 4.34Å; F386-I644 HydrophobicContact CZ-CD1 4.3Å; F386-I644 HydrophobicContact CZ-CG1 4.18Å; V598-I644 HydrophobicContact CG1-CB 3.8Å; V598-I644 HydrophobicContact CG1-CD1 4.1Å; I644-V647 PolarHBondContact O-N 2.89Å; I644-N648 WeakPolarHBondContact O-CB 3.43Å; I644-N648 PolarHBondContact O-N 2.85Å; I644-N648 PolarHBondContact O-ND2 3.33Å
645E93.6Very high95.2Very high127 Ų12761.6 Ų61.659%0.59332%0.32SS*.Hα-helixtrans-64.2-42.8175.8-60.972-154.300111.1T643 N648 Y649T643-E645 VanDerWaalsContact C-N 3.26Å; T643-E645 VanDerWaalsContact CB-OE2 3.27Å; T643-E645 WeakPolarHBondContact CB-OE2 3.36Å; T643-E645 PolarHBondContact O-N 3.1Å; T643-E645 PolarHBondContact OG1-N 2.84Å; T643-E645 PolarHBondContact OG1-OE2 3.09Å; E645-N648 PolarHBondContact O-N 2.82Å; E645-Y649 VanDerWaalsContact O-CB 3.28Å; E645-Y649 WeakPolarHBondContact O-CB 3.17Å; E645-Y649 PolarHBondContact O-N 3.3Å
646E96.4Very high95.3Very high95 Ų9560.6 Ų60.644%0.44431%0.307SS..Hα-helixtrans-68.5-40.8177.7-67.3176.4139.800112.1R642 T643 Y649 L650R642-E646 WeakPolarHBondContact CA-OE2 3.18Å; R642-E646 HydrophobicContact CB-CB 3.91Å; R642-E646 HydrophobicContact CG-CB 3.99Å; T643-E646 PolarHBondContact N-OE2 2.95Å; T643-E646 PolarHBondContact O-N 3.31Å; T643-E646 PolarHBondContact OG1-N 2.92Å; E646-Y649 PolarHBondContact O-N 2.86Å; E646-L650 WeakPolarHBondContact O-CG 3.49Å; E646-L650 PolarHBondContact O-N 3.39Å
647V94.3Very high95.3Very high0 Ų059.4 Ų59.40%030%0.301CS..Hα-helixtrans-59.7-48.3172.8170.20000110.2V598 R642 T643 I644 Y649 L650 R651 M701V598-V647 HydrophobicContact CB-CG2 4.23Å; R642-V647 HydrophobicContact CB-CG2 3.91Å; T643-V647 WeakPolarHBondContact O-CG2 3.13Å; T643-V647 PolarHBondContact O-N 2.85Å; I644-V647 PolarHBondContact O-N 2.89Å; V647-Y649 VanDerWaalsContact C-N 3.35Å; V647-Y649 PolarHBondContact O-N 3.49Å; V647-L650 PolarHBondContact O-N 3.09Å; V647-R651 WeakPolarHBondContact O-CG 3.38Å; V647-R651 PolarHBondContact O-N 2.79Å; V647-M701 HydrophobicContact CB-CE 4.44Å; V647-M701 HydrophobicContact CB-SD 4.29Å; V647-M701 HydrophobicContact CG1-CE 3.9Å; V647-M701 HydrophobicContact CG1-SD 4.09Å; V647-M701 HydrophobicContact CG2-SD 3.97Å; V647-M701 WeakPolarHBondContact O-CE 3.48Å
648N92.3Very high95.2Very high83 Ų8362.7 Ų62.744%0.44432%0.315SS..Hα-helixtrans-63.9-40.3178.6-72.9-24.8000112I644 E645 R651 K652I644-N648 WeakPolarHBondContact O-CB 3.43Å; I644-N648 PolarHBondContact O-N 2.85Å; I644-N648 PolarHBondContact O-ND2 3.33Å; E645-N648 PolarHBondContact O-N 2.82Å; N648-R651 PolarHBondContact O-N 2.88Å; N648-K652 VanDerWaalsContact O-CB 3.29Å; N648-K652 WeakPolarHBondContact O-CB 3.38Å; N648-K652 PolarHBondContact O-N 2.85Å
649Y95.9Very high95.1Very high154 Ų15471.4 Ų71.460%0.60435%0.348SS*.Hα-helixtrans-61.3-46.9175.8178-99.1000111.7E645 E646 V647 K652 T653E645-Y649 VanDerWaalsContact O-CB 3.28Å; E645-Y649 WeakPolarHBondContact O-CB 3.17Å; E645-Y649 PolarHBondContact O-N 3.3Å; E646-Y649 PolarHBondContact O-N 2.86Å; V647-Y649 VanDerWaalsContact C-N 3.35Å; V647-Y649 PolarHBondContact O-N 3.49Å; Y649-K652 PolarHBondContact O-N 3.03Å; Y649-T653 HydrophobicContact CD2-CG2 4.11Å; Y649-T653 HydrophobicContact CE1-CG2 4.15Å; Y649-T653 HydrophobicContact CE2-CG2 3.71Å; Y649-T653 HydrophobicContact CG-CG2 4.49Å; Y649-T653 WeakPolarHBondContact O-CB 3.35Å; Y649-T653 WeakPolarHBondContact O-CG2 3.36Å; Y649-T653 PolarHBondContact O-N 2.81Å; Y649-T653 PolarHBondContact O-OG1 3.21Å
650L94.8Very high95.1Very high22 Ų2272 Ų7212%0.11535%0.346CS..Hα-helixtrans-64.1-41.7177.1-74.9-176.3000112.5E646 V647 T653 G654 Y655 M701E646-L650 WeakPolarHBondContact O-CG 3.49Å; E646-L650 PolarHBondContact O-N 3.39Å; V647-L650 PolarHBondContact O-N 3.09Å; L650-T653 PolarHBondContact O-N 2.72Å; L650-G654 CarbonylContact O-C 3.51Å; L650-G654 PolarHBondContact O-N 2.88Å; L650-G654 VanDerWaalsContact O-N 3.13Å; L650-Y655 HydrophobicContact CD1-CD2 4.19Å; L650-Y655 PolarHBondContact O-N 2.94Å; L650-M701 HydrophobicContact CB-CE 3.74Å; L650-M701 HydrophobicContact CB-SD 4.48Å; L650-M701 HydrophobicContact CD1-CE 4.34Å; L650-M701 HydrophobicContact CD1-SD 4.05Å
651R92.6Very high95Very high114 Ų11472 Ų7243%0.4335%0.347SS..Hα-helixtrans-60.9-45.3175-73.7177.6175.7178.7-0.9111.3V647 N648 M701V647-R651 WeakPolarHBondContact O-CG 3.38Å; V647-R651 PolarHBondContact O-N 2.79Å; N648-R651 PolarHBondContact O-N 2.88Å; R651-M701 HydrophobicContact CG-CE 3.7Å
652K94.2Very high95Very high193 Ų19373.8 Ų73.884%0.83936%0.355SS*.Hα-helixtrans-67.2-37.2-179.5-174.7177.9179.2-179.60113.3N648 Y649N648-K652 VanDerWaalsContact O-CB 3.29Å; N648-K652 WeakPolarHBondContact O-CB 3.38Å; N648-K652 PolarHBondContact O-N 2.85Å; Y649-K652 PolarHBondContact O-N 3.03Å
653T95.2Very high95Very high79 Ų7976 Ų7649%0.48538%0.377SS..Hα-helixtrans-88.7-5-176.654.10000114.2Y649 L650Y649-T653 HydrophobicContact CD2-CG2 4.11Å; Y649-T653 HydrophobicContact CE1-CG2 4.15Å; Y649-T653 HydrophobicContact CE2-CG2 3.71Å; Y649-T653 HydrophobicContact CG-CG2 4.49Å; Y649-T653 WeakPolarHBondContact O-CB 3.35Å; Y649-T653 WeakPolarHBondContact O-CG2 3.36Å; Y649-T653 PolarHBondContact O-N 2.81Å; Y649-T653 PolarHBondContact O-OG1 3.21Å; L650-T653 PolarHBondContact O-N 2.72Å
654G93.7Very high95.2Very high52 Ų5274.5 Ų74.554%0.53637%0.367SS..THydrogen-bonded Turntrans88.281.7-177.900000112.2L650 N656L650-G654 CarbonylContact O-C 3.51Å; L650-G654 PolarHBondContact O-N 2.88Å; L650-G654 VanDerWaalsContact O-N 3.13Å; G654-N656 PolarHBondContact O-N 3.47Å
655Y95.3Very high95.5Very high38 Ų3877.4 Ų77.415%0.14939%0.388CS..  trans-56.7125.5174.2172.6-119.5000111L650 P657 Y660 D698 M701 A704L650-Y655 HydrophobicContact CD1-CD2 4.19Å; L650-Y655 PolarHBondContact O-N 2.94Å; Y655-P657 HydrophobicContact CD1-CG 4.25Å; Y655-P657 HydrophobicContact CE1-CB 4.38Å; Y655-P657 HydrophobicContact CE1-CG 3.64Å; Y655-Y660 AromaticContact CD2-CE2 3.88Å; Y655-Y660 HydrophobicContact CD2-CE2 3.88Å; Y655-Y660 AromaticContact CE2-CD2 3.7Å; Y655-Y660 HydrophobicContact CE2-CD2 3.7Å; Y655-Y660 AromaticContact CE2-CE2 3.4Å; Y655-Y660 HydrophobicContact CE2-CE2 3.4Å; Y655-Y660 VanDerWaalsContact CE2-CE2 3.4Å; Y655-D698 HydrophobicContact CE1-CB 3.85Å; Y655-D698 VanDerWaalsContact CE1-O 3.23Å; Y655-D698 WeakPolarHBondContact CE1-O 3.37Å; Y655-D698 PolarHBondContact OH-OD2 2.76Å; Y655-M701 HydrophobicContact CD1-CG 4.4Å; Y655-M701 HydrophobicContact CE1-CG 4.18Å; Y655-M701 HydrophobicContact CE2-CG 4.45Å; Y655-A704 HydrophobicContact CE2-CB 3.67Å; Y655-A704 PolarHBondContact OH-N 3.49Å
656N95.9Very high95.7Very high70 Ų7074.6 Ų74.637%0.37438%0.375SS..  trans-121.6107.2175.5-178.3-10.2000109.9G654 M658 R659G654-N656 PolarHBondContact O-N 3.47Å; N656-M658 PolarHBondContact O-N 3.43Å; N656-M658 WeakPolarHBondContact OD1-CB 3.49Å; N656-M658 PolarHBondContact OD1-N 2.98Å; N656-R659 HydrophobicContact CB-CG 4.31Å; N656-R659 PolarHBondContact O-N 3.17Å
657P96.4Very high95.7Very high1 Ų170.1 Ų70.11%0.00635%0.354CS..Hα-helixtrans-58.8-34.3-179.3-21.631.6000113Y655 R659 Y660 I661 L694 D698 C703Y655-P657 HydrophobicContact CD1-CG 4.25Å; Y655-P657 HydrophobicContact CE1-CB 4.38Å; Y655-P657 HydrophobicContact CE1-CG 3.64Å; P657-R659 PolarHBondContact O-N 3.17Å; P657-R659 VanDerWaalsContact O-N 3.13Å; P657-Y660 PolarHBondContact O-N 3.09Å; P657-I661 HydrophobicContact CB-CD1 4.25Å; P657-I661 WeakPolarHBondContact O-CG1 3.38Å; P657-I661 PolarHBondContact O-N 3.12Å; P657-L694 VanDerWaalsContact CB-O 3.24Å; P657-L694 WeakPolarHBondContact CB-O 3.32Å; P657-D698 HydrophobicContact CB-CB 4.3Å; P657-D698 HydrophobicContact CG-CB 3.8Å; P657-C703 HydrophobicContact CB-CB 4.34Å
658M95.7Very high95.9Very high78 Ų7874.9 Ų74.938%0.38437%0.373SS..Hα-helixtrans-61.3-25.2-177.1-72.9-60.8-6300113.6N656 I661 S662 V695N656-M658 PolarHBondContact O-N 3.43Å; N656-M658 WeakPolarHBondContact OD1-CB 3.49Å; N656-M658 PolarHBondContact OD1-N 2.98Å; M658-I661 HydrophobicContact SD-CD1 3.99Å; M658-S662 WeakPolarHBondContact O-CB 3.41Å; M658-S662 PolarHBondContact O-N 2.95Å; M658-S662 PolarHBondContact O-OG 3.32Å; M658-V695 HydrophobicContact SD-CB 3.94Å; M658-V695 HydrophobicContact SD-CG1 4.4Å
659R95.6Very high96.2Very high186 Ų18674.9 Ų74.970%0.70237%0.372SS*.Hα-helixtrans-63.8-45.6173.9-69.9-175.2176.1176.20.8111N656 P657 S662 S663N656-R659 HydrophobicContact CB-CG 4.31Å; N656-R659 PolarHBondContact O-N 3.17Å; P657-R659 PolarHBondContact O-N 3.17Å; P657-R659 VanDerWaalsContact O-N 3.13Å; R659-S662 PolarHBondContact O-N 3.19Å; R659-S663 PolarHBondContact O-N 3.26Å; R659-S663 VanDerWaalsContact O-N 3.13Å; R659-S663 PolarHBondContact O-OG 3.41Å
660Y96.9Very high96.3Very high56 Ų5667.6 Ų67.622%0.2234%0.344CS..Hα-helixtrans-70-45.4179.9-62.7-80.1000111.6R642 Y655 P657 S662 S663 N664 A704R642-Y660 VanDerWaalsContact NH2-CZ 3.29Å; R642-Y660 PolarHBondContact NH2-OH 2.8Å; Y655-Y660 AromaticContact CD2-CE2 3.88Å; Y655-Y660 HydrophobicContact CD2-CE2 3.88Å; Y655-Y660 AromaticContact CE2-CD2 3.7Å; Y655-Y660 HydrophobicContact CE2-CD2 3.7Å; Y655-Y660 AromaticContact CE2-CE2 3.4Å; Y655-Y660 HydrophobicContact CE2-CE2 3.4Å; Y655-Y660 VanDerWaalsContact CE2-CE2 3.4Å; P657-Y660 PolarHBondContact O-N 3.09Å; Y660-S662 VanDerWaalsContact C-N 3.25Å; Y660-S662 PolarHBondContact O-N 3.22Å; Y660-S663 PolarHBondContact O-N 2.65Å; Y660-S663 PolarHBondContact O-OG 3.07Å; Y660-N664 WeakPolarHBondContact O-CB 3.21Å; Y660-N664 PolarHBondContact O-N 2.94Å; Y660-A704 HydrophobicContact CD1-CB 4.43Å; Y660-A704 HydrophobicContact CD2-CB 4.28Å; Y660-A704 HydrophobicContact CE1-CB 4.26Å; Y660-A704 HydrophobicContact CE2-CB 4.1Å; Y660-A704 HydrophobicContact CG-CB 4.43Å
661I97.2Very high96.4Very high7 Ų766.6 Ų66.64%0.03634%0.338CS..Hα-helixtrans-59-41.6175.7-60.8167000110.1P657 M658 S663 N664 L667 R668 L671 V695 C703P657-I661 HydrophobicContact CB-CD1 4.25Å; P657-I661 WeakPolarHBondContact O-CG1 3.38Å; P657-I661 PolarHBondContact O-N 3.12Å; M658-I661 HydrophobicContact SD-CD1 3.99Å; I661-S663 PolarHBondContact O-N 3.26Å; I661-N664 PolarHBondContact O-N 3.22Å; I661-L667 HydrophobicContact CG1-CD2 4.11Å; I661-L667 HydrophobicContact CG1-CG 4.46Å; I661-R668 HydrophobicContact CG2-CB 4.14Å; I661-R668 HydrophobicContact CG2-CG 4.31Å; I661-L671 HydrophobicContact CB-CD1 4.49Å; I661-L671 HydrophobicContact CD1-CD1 3.53Å; I661-L671 HydrophobicContact CG1-CD1 3.61Å; I661-L671 HydrophobicContact CG2-CD1 4.1Å; I661-V695 HydrophobicContact CD1-CB 4.15Å; I661-V695 HydrophobicContact CD1-CG1 3.71Å; I661-C703 HydrophobicContact CG1-CB 4.25Å
662S96Very high96.6Very high57 Ų5763.1 Ų63.140%0.39933%0.328SS..Hα-helixtrans-73.8-28.2-176.5-61.80000114.5M658 R659 Y660 R668M658-S662 WeakPolarHBondContact O-CB 3.41Å; M658-S662 PolarHBondContact O-N 2.95Å; M658-S662 PolarHBondContact O-OG 3.32Å; R659-S662 PolarHBondContact O-N 3.19Å; Y660-S662 VanDerWaalsContact C-N 3.25Å; Y660-S662 PolarHBondContact O-N 3.22Å; S662-R668 PolarHBondContact O-NH2 3.09Å; S662-R668 PolarHBondContact OG-NH2 3.43Å
663S96.9Very high96.8Very high89 Ų8955.1 Ų55.162%0.62229%0.294SS*.Hα-helixtrans-81.2-12.4175.961.20000114.4R659 Y660 I661R659-S663 PolarHBondContact O-N 3.26Å; R659-S663 VanDerWaalsContact O-N 3.13Å; R659-S663 PolarHBondContact O-OG 3.41Å; Y660-S663 PolarHBondContact O-N 2.65Å; Y660-S663 PolarHBondContact O-OG 3.07Å; I661-S663 PolarHBondContact O-N 3.26Å
664N98Very high96.8Very high28 Ų2851.4 Ų51.415%0.1527%0.271CS..  trans-125.499-173.5-170.3-44.5000111.1Y660 I661 E666 L667 R668Y660-N664 WeakPolarHBondContact O-CB 3.21Å; Y660-N664 PolarHBondContact O-N 2.94Å; I661-N664 PolarHBondContact O-N 3.22Å; N664-E666 VanDerWaalsContact C-N 3.29Å; N664-E666 PolarHBondContact O-N 2.92Å; N664-E666 PolarHBondContact OD1-N 3.34Å; N664-L667 HydrophobicContact CB-CB 3.93Å; N664-L667 PolarHBondContact O-N 3.47Å; N664-L667 PolarHBondContact OD1-N 3.21Å; N664-R668 PolarHBondContact O-N 2.97Å
665P97.8Very high96.9Very high96 Ų9652.5 Ų52.562%0.62326%0.259SS*.Hα-helixtrans-59.6-34-178.6-26.235.2000114.4R668 L669P665-R668 PolarHBondContact O-N 3.21Å; P665-L669 WeakPolarHBondContact O-CB 3.48Å; P665-L669 PolarHBondContact O-N 2.77Å
666E97.9Very high96.8Very high68 Ų6855.4 Ų55.432%0.31828%0.277SS..Hα-helixtrans-69-45.4178.6-63.1-169.2109.400111.2T514 R518 N664 R668 L669 C670T514-E666 HydrophobicContact CG2-CB 4.3Å; R518-E666 IonicContact CZ-OE1 3.9Å; R518-E666 VanDerWaalsContact CZ-OE1 3.29Å; R518-E666 IonicContact CZ-OE2 3.53Å; R518-E666 IonicContact NE-OE1 3.45Å; R518-E666 PolarHBondContact NE-OE1 3.27Å; R518-E666 IonicContact NE-OE2 2.79Å; R518-E666 VanDerWaalsContact NH2-CD 3.29Å; R518-E666 IonicContact NH2-OE1 2.72Å; R518-E666 PolarHBondContact NH2-OE1 3.15Å; R518-E666 IonicContact NH2-OE2 3.79Å; R518-E666 PolarHBondContact NH2-OE2 2.95Å; N664-E666 VanDerWaalsContact C-N 3.29Å; N664-E666 PolarHBondContact O-N 2.92Å; N664-E666 PolarHBondContact OD1-N 3.34Å; E666-R668 VanDerWaalsContact C-N 3.34Å; E666-R668 PolarHBondContact O-N 3.37Å; E666-L669 PolarHBondContact O-N 2.79Å; E666-C670 PolarHBondContact O-N 2.7Å; E666-C670 PolarHBondContact O-SG 2.97Å
667L98.2Very high96.6Very high1 Ų152.3 Ų52.31%0.00526%0.261CS..Hα-helixtrans-60.4-45.6174.4179.356.6000111.1L510 I661 N664 L669 C670 L671 C703 Y706L510-L667 HydrophobicContact CD1-CD1 4.2Å; I661-L667 HydrophobicContact CG1-CD2 4.11Å; I661-L667 HydrophobicContact CG1-CG 4.46Å; N664-L667 HydrophobicContact CB-CB 3.93Å; N664-L667 PolarHBondContact O-N 3.47Å; N664-L667 PolarHBondContact OD1-N 3.21Å; L667-L669 VanDerWaalsContact C-N 3.34Å; L667-L669 PolarHBondContact O-N 3.19Å; L667-C670 WeakPolarHBondContact O-CB 3.28Å; L667-C670 PolarHBondContact O-N 3.1Å; L667-L671 HydrophobicContact CD1-CD1 4.07Å; L667-L671 HydrophobicContact CD1-CG 4.11Å; L667-L671 HydrophobicContact CG-CD1 4.12Å; L667-L671 WeakPolarHBondContact O-CG 3.28Å; L667-L671 PolarHBondContact O-N 2.85Å; L667-C703 HydrophobicContact CD2-CB 4.1Å; L667-Y706 HydrophobicContact CB-CD1 3.74Å; L667-Y706 HydrophobicContact CB-CE1 3.63Å; L667-Y706 HydrophobicContact CB-CG 4.35Å; L667-Y706 HydrophobicContact CD1-CD1 4.16Å; L667-Y706 HydrophobicContact CD1-CD2 3.91Å; L667-Y706 HydrophobicContact CD1-CE1 4.43Å; L667-Y706 HydrophobicContact CD1-CE2 4.2Å; L667-Y706 HydrophobicContact CD1-CG 3.89Å; L667-Y706 HydrophobicContact CD2-CD1 4.06Å; L667-Y706 HydrophobicContact CD2-CG 4.17Å; L667-Y706 HydrophobicContact CG-CD1 4.2Å; L667-Y706 HydrophobicContact CG-CE1 4.48Å; L667-Y706 HydrophobicContact CG-CG 4.36Å
668R98Very high96.5Very high101 Ų10156.6 Ų56.638%0.38128%0.278SS..Hα-helixtrans-57-48.4177.5-175.9-176.3-72.1164-11.8110.9I661 S662 N664 P665 E666 C670 L671 D672I661-R668 HydrophobicContact CG2-CB 4.14Å; I661-R668 HydrophobicContact CG2-CG 4.31Å; S662-R668 PolarHBondContact O-NH2 3.09Å; S662-R668 PolarHBondContact OG-NH2 3.43Å; N664-R668 PolarHBondContact O-N 2.97Å; P665-R668 PolarHBondContact O-N 3.21Å; E666-R668 VanDerWaalsContact C-N 3.34Å; E666-R668 PolarHBondContact O-N 3.37Å; R668-C670 VanDerWaalsContact C-N 3.34Å; R668-C670 PolarHBondContact O-N 2.88Å; R668-L671 PolarHBondContact O-N 3.33Å; R668-D672 WeakPolarHBondContact CG-OD2 3.28Å; R668-D672 WeakPolarHBondContact O-CB 3.45Å; R668-D672 VanDerWaalsContact O-CG 3.27Å; R668-D672 PolarHBondContact O-N 2.82Å
669L98Very high96.4Very high83 Ų8353 Ų5344%0.43526%0.26SS..Hα-helixtrans-58.9-43.8177.8178.961.4000112.2N517 P665 E666 L667 L671 D672 Q673N517-L669 HydrophobicContact CB-CD2 4.17Å; P665-L669 WeakPolarHBondContact O-CB 3.48Å; P665-L669 PolarHBondContact O-N 2.77Å; E666-L669 PolarHBondContact O-N 2.79Å; L667-L669 VanDerWaalsContact C-N 3.34Å; L667-L669 PolarHBondContact O-N 3.19Å; L669-L671 VanDerWaalsContact C-N 3.34Å; L669-L671 PolarHBondContact O-N 3.09Å; L669-D672 PolarHBondContact O-N 3.28Å; L669-Q673 HydrophobicContact CD1-CG 4.34Å; L669-Q673 WeakPolarHBondContact O-CG 3.4Å; L669-Q673 PolarHBondContact O-N 3.07Å
670C98Very high96Very high1 Ų144.5 Ų44.51%0.00723%0.229CC..Hα-helixtrans-58.5-46.9176.7-61.30000111.5L510 I513 T514 E666 L667 R668 Q673 I674L510-C670 HydrophobicContact CD2-CB 3.82Å; I513-C670 HydrophobicContact CB-CB 4.48Å; I513-C670 HydrophobicContact CG2-CB 3.8Å; I513-C670 WeakPolarHBondContact CG2-SG 3.45Å; T514-C670 PolarHBondContact OG1-SG 2.98Å; T514-C670 VanDerWaalsContact OG1-SG 3.35Å; E666-C670 PolarHBondContact O-N 2.7Å; E666-C670 PolarHBondContact O-SG 2.97Å; L667-C670 WeakPolarHBondContact O-CB 3.28Å; L667-C670 PolarHBondContact O-N 3.1Å; R668-C670 VanDerWaalsContact C-N 3.34Å; R668-C670 PolarHBondContact O-N 2.88Å; C670-Q673 PolarHBondContact O-N 3.23Å; C670-I674 VanDerWaalsContact O-CG1 3.32Å; C670-I674 WeakPolarHBondContact O-CG1 3.48Å; C670-I674 PolarHBondContact O-N 3.33Å; C670-I674 VanDerWaalsContact O-N 3.15Å
671L97.5Very high95.4Very high1 Ų145.8 Ų45.81%0.00524%0.244CC..Hα-helixtrans-71.6-36-177.8-65.4178.5000112.5L510 I661 L667 R668 L669 I674 R675 Y691 L694L510-L671 HydrophobicContact CD2-CD2 4.23Å; I661-L671 HydrophobicContact CB-CD1 4.49Å; I661-L671 HydrophobicContact CD1-CD1 3.53Å; I661-L671 HydrophobicContact CG1-CD1 3.61Å; I661-L671 HydrophobicContact CG2-CD1 4.1Å; L667-L671 HydrophobicContact CD1-CD1 4.07Å; L667-L671 HydrophobicContact CD1-CG 4.11Å; L667-L671 HydrophobicContact CG-CD1 4.12Å; L667-L671 WeakPolarHBondContact O-CG 3.28Å; L667-L671 PolarHBondContact O-N 2.85Å; R668-L671 PolarHBondContact O-N 3.33Å; L669-L671 VanDerWaalsContact C-N 3.34Å; L669-L671 PolarHBondContact O-N 3.09Å; L671-I674 HydrophobicContact CD2-CD1 4.41Å; L671-I674 PolarHBondContact O-N 2.94Å; L671-R675 WeakPolarHBondContact O-CB 3.37Å; L671-R675 PolarHBondContact O-N 2.89Å; L671-Y691 HydrophobicContact CB-CD2 4.16Å; L671-Y691 HydrophobicContact CB-CE2 3.92Å; L671-Y691 WeakPolarHBondContact O-CD2 3.34Å; L671-Y691 WeakPolarHBondContact O-CE2 3.44Å; L671-L694 HydrophobicContact CD2-CD1 4.06Å
672D96.7Very high94.9Very high41 Ų4152.5 Ų52.522%0.21928%0.281CS..Hα-helixtrans-63.3-44.5173.9-72.3-23.9000110.7R668 L669 I674 R675 D676R668-D672 WeakPolarHBondContact CG-OD2 3.28Å; R668-D672 WeakPolarHBondContact O-CB 3.45Å; R668-D672 VanDerWaalsContact O-CG 3.27Å; R668-D672 PolarHBondContact O-N 2.82Å; L669-D672 PolarHBondContact O-N 3.28Å; D672-I674 VanDerWaalsContact C-N 3.3Å; D672-I674 PolarHBondContact O-N 3.34Å; D672-R675 WeakPolarHBondContact O-CB 3.49Å; D672-R675 PolarHBondContact O-N 2.91Å; D672-R675 VanDerWaalsContact O-N 3.13Å; D672-R675 IonicContact OD1-CZ 3.3Å; D672-R675 VanDerWaalsContact OD1-CZ 3.3Å; D672-R675 IonicContact OD1-NH1 2.74Å; D672-R675 PolarHBondContact OD1-NH1 2.84Å; D672-R675 IonicContact OD1-NH2 3.28Å; D672-R675 PolarHBondContact OD1-NH2 2.64Å; D672-D676 WeakPolarHBondContact O-CB 3.19Å; D672-D676 PolarHBondContact O-N 3.15Å
673Q97.1Very high94.5Very high24 Ų2455 Ų5511%0.11229%0.286CS..Hα-helixtrans-59.9-38.4174.4-74.7172.1-34.200112.9N517 L669 C670 Y678 Y679N517-Q673 PolarHBondContact ND2-OE1 3.35Å; N517-Q673 PolarHBondContact OD1-NE2 2.92Å; N517-Q673 PolarHBondContact OD1-OE1 3.27Å; L669-Q673 HydrophobicContact CD1-CG 4.34Å; L669-Q673 WeakPolarHBondContact O-CG 3.4Å; L669-Q673 PolarHBondContact O-N 3.07Å; C670-Q673 PolarHBondContact O-N 3.23Å; Q673-Y678 HydrophobicContact CB-CD1 4.46Å; Q673-Y678 HydrophobicContact CB-CG 4.3Å; Q673-Y678 HydrophobicContact CG-CD1 4.5Å; Q673-Y678 HydrophobicContact CG-CG 4.28Å; Q673-Y678 WeakPolarHBondContact O-CB 3.2Å; Q673-Y678 PolarHBondContact O-N 2.97Å; Q673-Y678 VanDerWaalsContact O-N 3.1Å; Q673-Y679 HydrophobicContact CB-CE2 3.8Å; Q673-Y679 PolarHBondContact OE1-OH 3.06Å; Q673-Y679 VanDerWaalsContact OE1-OH 3.08Å
674I96.4Very high94.1Very high2 Ų253.6 Ų53.61%0.0128%0.275CS..Hα-helixtrans-66.2-43175.2-67.4167.6000110.7L510 I513 L551 C670 L671 D672 Y679 F687L510-I674 HydrophobicContact CD2-CD1 4.14Å; I513-I674 HydrophobicContact CD1-CD1 3.99Å; I513-I674 HydrophobicContact CD1-CG1 4.24Å; L551-I674 HydrophobicContact CD1-CG1 4.16Å; L551-I674 HydrophobicContact CD1-CG2 4.42Å; L551-I674 HydrophobicContact CD2-CD1 3.98Å; L551-I674 HydrophobicContact CD2-CG1 4.46Å; C670-I674 VanDerWaalsContact O-CG1 3.32Å; C670-I674 WeakPolarHBondContact O-CG1 3.48Å; C670-I674 PolarHBondContact O-N 3.33Å; C670-I674 VanDerWaalsContact O-N 3.15Å; L671-I674 HydrophobicContact CD2-CD1 4.41Å; L671-I674 PolarHBondContact O-N 2.94Å; D672-I674 VanDerWaalsContact C-N 3.3Å; D672-I674 PolarHBondContact O-N 3.34Å; I674-Y679 HydrophobicContact CG1-CD2 4Å; I674-Y679 HydrophobicContact CG1-CE2 3.85Å; I674-F687 HydrophobicContact CG2-CB 3.62Å; I674-F687 HydrophobicContact CG2-CG 4.33Å
675R95.3Very high93.9Very high75 Ų7556.9 Ų56.928%0.28329%0.292SS..Hα-helixtrans-65.3-43.7179.5-177.2-167.565.5-135-10.7112.5L671 D672 G677 Y691L671-R675 WeakPolarHBondContact O-CB 3.37Å; L671-R675 PolarHBondContact O-N 2.89Å; D672-R675 WeakPolarHBondContact O-CB 3.49Å; D672-R675 PolarHBondContact O-N 2.91Å; D672-R675 VanDerWaalsContact O-N 3.13Å; D672-R675 IonicContact OD1-CZ 3.3Å; D672-R675 VanDerWaalsContact OD1-CZ 3.3Å; D672-R675 IonicContact OD1-NH1 2.74Å; D672-R675 PolarHBondContact OD1-NH1 2.84Å; D672-R675 IonicContact OD1-NH2 3.28Å; D672-R675 PolarHBondContact OD1-NH2 2.64Å; R675-G677 PolarHBondContact O-N 2.61Å; R675-Y691 HydrophobicContact CB-CD1 4.17Å; R675-Y691 HydrophobicContact CB-CD2 3.77Å; R675-Y691 HydrophobicContact CB-CE1 4.3Å; R675-Y691 HydrophobicContact CB-CE2 3.88Å; R675-Y691 HydrophobicContact CB-CG 3.91Å; R675-Y691 HydrophobicContact CG-CD1 3.97Å; R675-Y691 HydrophobicContact CG-CD2 4.45Å; R675-Y691 HydrophobicContact CG-CE1 3.96Å; R675-Y691 HydrophobicContact CG-CE2 4.41Å; R675-Y691 HydrophobicContact CG-CG 4.22Å; R675-Y691 PolarHBondContact NH1-OH 3.1Å
676D93.9Very high93.5Very high99 Ų9953.3 Ų53.353%0.52927%0.268SS..THydrogen-bonded Turntrans-86.59.7-167.9-61.3-22.9000113D672 Y678D672-D676 WeakPolarHBondContact O-CB 3.19Å; D672-D676 PolarHBondContact O-N 3.15Å; D676-Y678 PolarHBondContact O-N 3.38Å
677G92.1Very high93.4Very high4 Ų450.1 Ų50.14%0.04125%0.253CS..THydrogen-bonded Turntrans79.812.9175.200000115.2R675 Y679 C680 P681 P684R675-G677 PolarHBondContact O-N 2.61Å; G677-Y679 VanDerWaalsContact C-N 3.25Å; G677-Y679 PolarHBondContact O-N 2.86Å; G677-C680 CarbonylContact O-C 3.42Å; G677-C680 PolarHBondContact O-N 3.09Å; G677-P681 VanDerWaalsContact O-N 3.15Å; G677-P684 WeakPolarHBondContact CA-O 3.49Å
678Y94.4Very high93.1Very high92 Ų9254.3 Ų54.336%0.36127%0.271SS..THydrogen-bonded Turntrans-55.9-39.2-176.3-174.4-95.7000112.9Y516 I558 Q673 D676Y516-Y678 HydrophobicContact CE1-CE1 4.04Å; Y516-Y678 PolarHBondContact OH-OH 3.17Å; I558-Y678 HydrophobicContact CG2-CE1 4.14Å; Q673-Y678 HydrophobicContact CB-CD1 4.46Å; Q673-Y678 HydrophobicContact CB-CG 4.3Å; Q673-Y678 HydrophobicContact CG-CD1 4.5Å; Q673-Y678 HydrophobicContact CG-CG 4.28Å; Q673-Y678 WeakPolarHBondContact O-CB 3.2Å; Q673-Y678 PolarHBondContact O-N 2.97Å; Q673-Y678 VanDerWaalsContact O-N 3.1Å; D676-Y678 PolarHBondContact O-N 3.38Å
679Y92.1Very high92.8Very high1 Ų154.5 Ų54.50%0.00428%0.28CS..THydrogen-bonded Turntrans-86.4-8.7179.7-57.6-67.3000113.9I513 L551 S554 V555 I558 Q673 I674 G677I513-Y679 HydrophobicContact CD1-CE2 3.84Å; I513-Y679 HydrophobicContact CG1-CE1 4.44Å; I513-Y679 HydrophobicContact CG1-CE2 4.31Å; I513-Y679 WeakPolarHBondContact CG1-OH 3.32Å; I513-Y679 WeakPolarHBondContact CG2-OH 3.37Å; L551-Y679 HydrophobicContact CD1-CD2 4.33Å; S554-Y679 WeakPolarHBondContact CB-O 3.44Å; V555-Y679 HydrophobicContact CB-CD1 4.23Å; V555-Y679 HydrophobicContact CB-CE1 4.39Å; V555-Y679 HydrophobicContact CG1-CE1 4.29Å; V555-Y679 HydrophobicContact CG2-CD1 3.69Å; V555-Y679 HydrophobicContact CG2-CD2 4.08Å; V555-Y679 HydrophobicContact CG2-CE1 3.9Å; V555-Y679 HydrophobicContact CG2-CE2 4.26Å; V555-Y679 HydrophobicContact CG2-CG 3.8Å; I558-Y679 HydrophobicContact CB-CD1 4.38Å; I558-Y679 HydrophobicContact CG1-CD1 4.02Å; Q673-Y679 HydrophobicContact CB-CE2 3.8Å; Q673-Y679 PolarHBondContact OE1-OH 3.06Å; Q673-Y679 VanDerWaalsContact OE1-OH 3.08Å; I674-Y679 HydrophobicContact CG1-CD2 4Å; I674-Y679 HydrophobicContact CG1-CE2 3.85Å; G677-Y679 VanDerWaalsContact C-N 3.25Å; G677-Y679 PolarHBondContact O-N 2.86Å
680C87Confident92.6Very high8 Ų850.8 Ų50.85%0.05426%0.26CS..  trans-145.372.5175.4-156.20000111.3G677 N682 E683 L686 F687G677-C680 CarbonylContact O-C 3.42Å; G677-C680 PolarHBondContact O-N 3.09Å; C680-N682 PolarHBondContact O-N 3.38Å; C680-N682 VanDerWaalsContact O-N 3.14Å; C680-E683 CarbonylContact O-C 3.49Å; C680-E683 PolarHBondContact O-N 3.38Å; C680-L686 HydrophobicContact CB-CD2 4.02Å; C680-L686 VanDerWaalsContact SG-CD2 3.59Å; C680-F687 HydrophobicContact CB-CE2 3.99Å
681P85.5Confident92.5Very high83 Ų8352.6 Ų52.654%0.53927%0.267SS..THydrogen-bonded Turntrans-61-27.1-174.6-25.835.6000114.4G677 E683 P684G677-P681 VanDerWaalsContact O-N 3.15Å; P681-E683 VanDerWaalsContact C-N 3.33Å; P681-P684 WeakPolarHBondContact O-CG 3.34Å
682N85.5Confident92.4Very high149 Ų14958.9 Ų58.980%0.79729%0.294SS*.THydrogen-bonded Turntrans-75.7-22.1178.6-62.8-14.2000112.8C680C680-N682 PolarHBondContact O-N 3.38Å; C680-N682 VanDerWaalsContact O-N 3.14Å
683E87.9Confident92.2Very high108 Ų10858.9 Ų58.951%0.50529%0.293SS..SBendtrans-136.972.1176.8-65.3176-109.400108.7C680 P681 D685 L686C680-E683 CarbonylContact O-C 3.49Å; C680-E683 PolarHBondContact O-N 3.38Å; P681-E683 VanDerWaalsContact C-N 3.33Å; E683-D685 PolarHBondContact O-N 3.28Å; E683-L686 HydrophobicContact CB-CB 4.04Å; E683-L686 WeakPolarHBondContact O-CB 3.47Å; E683-L686 PolarHBondContact O-N 3.01Å
684P89.7Confident92Very high60 Ų6058.1 Ų58.139%0.3929%0.289SS..THydrogen-bonded Turntrans-57.1-25.8-171.3-26.635.1000114G677 P681G677-P684 WeakPolarHBondContact CA-O 3.49Å; P681-P684 WeakPolarHBondContact O-CG 3.34Å
685D92.2Very high92Very high97 Ų9758.9 Ų58.952%0.51929%0.294SS..THydrogen-bonded Turntrans-87.4-6.5-175.6-71.911.2000113.6E683 F687 K688E683-D685 PolarHBondContact O-N 3.28Å; D685-F687 VanDerWaalsContact C-N 3.28Å; D685-F687 PolarHBondContact O-N 2.94Å; D685-F687 VanDerWaalsContact O-N 3.14Å; D685-K688 HydrophobicContact CB-CD 3.83Å; D685-K688 HydrophobicContact CB-CG 4.41Å; D685-K688 WeakPolarHBondContact O-CB 3.41Å; D685-K688 WeakPolarHBondContact O-CG 3.28Å; D685-K688 PolarHBondContact O-N 3.48Å; D685-K688 WeakPolarHBondContact OD1-CE 3.46Å; D685-K688 IonicContact OD1-NZ 2.7Å; D685-K688 PolarHBondContact OD1-NZ 3Å; D685-K688 IonicContact OD2-NZ 3.29Å; D685-K688 PolarHBondContact OD2-NZ 3.33Å
686L91Very high91.9Very high22 Ų2259.1 Ų59.112%0.11530%0.304CS..THydrogen-bonded Turntrans-53.6-40.3-170.6177.862000113.5Y107 M547 K550 C680 E683Y107-L686 WeakPolarHBondContact OH-CD1 3.41Å; M547-L686 HydrophobicContact CE-CD1 3.93Å; M547-L686 HydrophobicContact CE-CG 4.08Å; M547-L686 WeakPolarHBondContact CE-O 3.4Å; K550-L686 HydrophobicContact CG-CD2 4.04Å; C680-L686 HydrophobicContact CB-CD2 4.02Å; C680-L686 VanDerWaalsContact SG-CD2 3.59Å; E683-L686 HydrophobicContact CB-CB 4.04Å; E683-L686 WeakPolarHBondContact O-CB 3.47Å; E683-L686 PolarHBondContact O-N 3.01Å
687F94.3Very high91.8Very high1 Ų159 Ų590%0.00430%0.3CS..THydrogen-bonded Turntrans-1009-176.3-57.6-59.7000114M547 K550 L551 I674 C680 D685 D689 L690 Y691M547-F687 HydrophobicContact CE-CD1 3.73Å; M547-F687 HydrophobicContact CE-CE1 4.01Å; K550-F687 HydrophobicContact CB-CE1 4.28Å; K550-F687 HydrophobicContact CG-CE1 3.99Å; K550-F687 HydrophobicContact CG-CZ 4.05Å; L551-F687 VanDerWaalsContact CA-CE1 3.49Å; L551-F687 VanDerWaalsContact CA-CZ 3.49Å; L551-F687 HydrophobicContact CB-CD1 4.04Å; L551-F687 HydrophobicContact CB-CE1 3.62Å; L551-F687 HydrophobicContact CB-CZ 4Å; L551-F687 HydrophobicContact CD1-CD1 4.23Å; L551-F687 HydrophobicContact CD1-CD2 3.93Å; L551-F687 HydrophobicContact CD1-CE1 4.16Å; L551-F687 HydrophobicContact CD1-CE2 3.82Å; L551-F687 HydrophobicContact CD1-CG 4.14Å; L551-F687 HydrophobicContact CD1-CZ 3.95Å; L551-F687 HydrophobicContact CG-CE1 4.49Å; I674-F687 HydrophobicContact CG2-CB 3.62Å; I674-F687 HydrophobicContact CG2-CG 4.33Å; C680-F687 HydrophobicContact CB-CE2 3.99Å; D685-F687 VanDerWaalsContact C-N 3.28Å; D685-F687 PolarHBondContact O-N 2.94Å; D685-F687 VanDerWaalsContact O-N 3.14Å; F687-D689 VanDerWaalsContact C-N 3.31Å; F687-D689 PolarHBondContact O-N 2.87Å; F687-L690 HydrophobicContact CD1-CD2 4.47Å; F687-L690 PolarHBondContact O-N 3.18Å; F687-Y691 WeakPolarHBondContact O-CB 3.42Å; F687-Y691 PolarHBondContact O-N 2.89Å
688K92.8Very high91.9Very high88 Ų8859.1 Ų59.138%0.38330%0.3SS..Hα-helixtrans-59.2-39.4-178.4-78.4-177.5176.6175.30113D685 Y691 K692D685-K688 HydrophobicContact CB-CD 3.83Å; D685-K688 HydrophobicContact CB-CG 4.41Å; D685-K688 WeakPolarHBondContact O-CB 3.41Å; D685-K688 WeakPolarHBondContact O-CG 3.28Å; D685-K688 PolarHBondContact O-N 3.48Å; D685-K688 WeakPolarHBondContact OD1-CE 3.46Å; D685-K688 IonicContact OD1-NZ 2.7Å; D685-K688 PolarHBondContact OD1-NZ 3Å; D685-K688 IonicContact OD2-NZ 3.29Å; D685-K688 PolarHBondContact OD2-NZ 3.33Å; K688-Y691 PolarHBondContact O-N 2.97Å; K688-K692 VanDerWaalsContact O-CB 3.23Å; K688-K692 WeakPolarHBondContact O-CB 3.48Å; K688-K692 PolarHBondContact O-N 2.81Å
689D91.2Very high91.8Very high106 Ų10660.6 Ų60.657%0.56731%0.308SS*.Hα-helixtrans-68.5-40.9179.1-74.2-21.4000112.4F687 K692 K693F687-D689 VanDerWaalsContact C-N 3.31Å; F687-D689 PolarHBondContact O-N 2.87Å; D689-K692 PolarHBondContact O-N 3.27Å; D689-K693 WeakPolarHBondContact O-CB 3.32Å; D689-K693 PolarHBondContact O-N 3.22Å
690L93.4Very high92Very high4 Ų461.6 Ų61.62%0.02131%0.313CS..Hα-helixtrans-62.9-47174174.963.7000110.8L506 M544 I548 L551 F687 K693 L694L506-L690 HydrophobicContact CD1-CD1 4.07Å; L506-L690 HydrophobicContact CD2-CD2 4.35Å; M544-L690 HydrophobicContact SD-CB 4.2Å; M544-L690 HydrophobicContact SD-CD1 3.45Å; M544-L690 WeakPolarHBondContact SD-CD1 3.44Å; M544-L690 HydrophobicContact SD-CG 4.42Å; I548-L690 HydrophobicContact CG1-CD1 4.14Å; L551-L690 HydrophobicContact CB-CD2 4.22Å; L551-L690 HydrophobicContact CD2-CD2 3.56Å; L551-L690 HydrophobicContact CG-CD2 4.47Å; F687-L690 HydrophobicContact CD1-CD2 4.47Å; F687-L690 PolarHBondContact O-N 3.18Å; L690-K693 PolarHBondContact O-N 3Å; L690-L694 HydrophobicContact CD1-CD1 4.42Å; L690-L694 HydrophobicContact CG-CD1 4.39Å; L690-L694 WeakPolarHBondContact O-CG 3.48Å; L690-L694 PolarHBondContact O-N 3.29Å; L690-L694 VanDerWaalsContact O-N 3.08Å
691Y95.8Very high92.5Very high40 Ų4061.3 Ų61.316%0.15731%0.311CS..Hα-helixtrans-57.9-51.1174.3170.1-94000111.2L671 R675 F687 K688 K693 L694 V695L671-Y691 HydrophobicContact CB-CD2 4.16Å; L671-Y691 HydrophobicContact CB-CE2 3.92Å; L671-Y691 WeakPolarHBondContact O-CD2 3.34Å; L671-Y691 WeakPolarHBondContact O-CE2 3.44Å; R675-Y691 HydrophobicContact CB-CD1 4.17Å; R675-Y691 HydrophobicContact CB-CD2 3.77Å; R675-Y691 HydrophobicContact CB-CE1 4.3Å; R675-Y691 HydrophobicContact CB-CE2 3.88Å; R675-Y691 HydrophobicContact CB-CG 3.91Å; R675-Y691 HydrophobicContact CG-CD1 3.97Å; R675-Y691 HydrophobicContact CG-CD2 4.45Å; R675-Y691 HydrophobicContact CG-CE1 3.96Å; R675-Y691 HydrophobicContact CG-CE2 4.41Å; R675-Y691 HydrophobicContact CG-CG 4.22Å; R675-Y691 PolarHBondContact NH1-OH 3.1Å; F687-Y691 WeakPolarHBondContact O-CB 3.42Å; F687-Y691 PolarHBondContact O-N 2.89Å; K688-Y691 PolarHBondContact O-N 2.97Å; Y691-K693 VanDerWaalsContact C-N 3.28Å; Y691-K693 PolarHBondContact O-N 2.92Å; Y691-L694 PolarHBondContact O-N 2.93Å; Y691-V695 HydrophobicContact CD1-CG1 4.41Å; Y691-V695 HydrophobicContact CD1-CG2 4.33Å; Y691-V695 HydrophobicContact CD2-CG1 4.03Å; Y691-V695 HydrophobicContact CE1-CG1 4.01Å; Y691-V695 HydrophobicContact CE1-CG2 3.95Å; Y691-V695 HydrophobicContact CE2-CG1 3.61Å; Y691-V695 HydrophobicContact CG-CG1 4.42Å; Y691-V695 PolarHBondContact O-N 3.42Å
692K95.3Very high93Very high132 Ų13257.6 Ų57.657%0.57429%0.286SS*.Hα-helixtrans-54.4-46.3179.7-178179.4176.9-176.60110.6K688 D689 L694 V695 T696K688-K692 VanDerWaalsContact O-CB 3.23Å; K688-K692 WeakPolarHBondContact O-CB 3.48Å; K688-K692 PolarHBondContact O-N 2.81Å; D689-K692 PolarHBondContact O-N 3.27Å; K692-L694 PolarHBondContact O-N 2.91Å; K692-V695 WeakPolarHBondContact O-CG2 3.49Å; K692-V695 PolarHBondContact O-N 3.22Å; K692-T696 HydrophobicContact CG-CG2 4.36Å; K692-T696 WeakPolarHBondContact O-CB 3.46Å; K692-T696 WeakPolarHBondContact O-CG2 3.19Å; K692-T696 PolarHBondContact O-N 2.98Å; K692-T696 PolarHBondContact O-OG1 3.42Å
693K92.8Very high93.6Very high41 Ų4150.6 Ų50.618%0.17825%0.249CC..Hα-helixtrans-62.7-40.5178.1-167.4172.5-173.5-177.40112.5E501 M544 D689 L690 Y691 E697 D698E501-K693 WeakPolarHBondContact OE1-CE 3.3Å; E501-K693 IonicContact OE1-NZ 2.66Å; E501-K693 PolarHBondContact OE1-NZ 3.5Å; E501-K693 IonicContact OE2-NZ 2.85Å; E501-K693 PolarHBondContact OE2-NZ 3.42Å; M544-K693 HydrophobicContact CE-CB 4.38Å; M544-K693 HydrophobicContact CE-CD 3.62Å; M544-K693 HydrophobicContact CG-CD 4.32Å; M544-K693 HydrophobicContact SD-CD 4.21Å; D689-K693 WeakPolarHBondContact O-CB 3.32Å; D689-K693 PolarHBondContact O-N 3.22Å; L690-K693 PolarHBondContact O-N 3Å; Y691-K693 VanDerWaalsContact C-N 3.28Å; Y691-K693 PolarHBondContact O-N 2.92Å; K693-E697 HydrophobicContact CG-CB 4.39Å; K693-E697 PolarHBondContact O-N 2.99Å; K693-D698 PolarHBondContact O-N 3.37Å
694L94.1Very high94.1Very high9 Ų945.8 Ų45.85%0.04723%0.227CC..Hα-helixtrans-67.5-35.5177.8-73.3169.9000113.3L506 P657 L671 L690 Y691 K692 D698 V702L506-L694 HydrophobicContact CD1-CD1 4.21Å; L506-L694 HydrophobicContact CD1-CD2 4.02Å; P657-L694 VanDerWaalsContact CB-O 3.24Å; P657-L694 WeakPolarHBondContact CB-O 3.32Å; L671-L694 HydrophobicContact CD2-CD1 4.06Å; L690-L694 HydrophobicContact CD1-CD1 4.42Å; L690-L694 HydrophobicContact CG-CD1 4.39Å; L690-L694 WeakPolarHBondContact O-CG 3.48Å; L690-L694 PolarHBondContact O-N 3.29Å; L690-L694 VanDerWaalsContact O-N 3.08Å; Y691-L694 PolarHBondContact O-N 2.93Å; K692-L694 PolarHBondContact O-N 2.91Å; L694-D698 VanDerWaalsContact O-CB 3.28Å; L694-D698 WeakPolarHBondContact O-CB 3.35Å; L694-V702 HydrophobicContact CD2-CB 4.18Å; L694-V702 HydrophobicContact CD2-CG1 4.43Å; L694-V702 HydrophobicContact CD2-CG2 4.4Å
695V95.5Very high94.5Very high17 Ų1742.9 Ų42.910%0.10321%0.209CC..Hα-helixtrans-87.1-21.3-178-54.20000113.6M658 I661 Y691 K692M658-V695 HydrophobicContact SD-CB 3.94Å; M658-V695 HydrophobicContact SD-CG1 4.4Å; I661-V695 HydrophobicContact CD1-CB 4.15Å; I661-V695 HydrophobicContact CD1-CG1 3.71Å; Y691-V695 HydrophobicContact CD1-CG1 4.41Å; Y691-V695 HydrophobicContact CD1-CG2 4.33Å; Y691-V695 HydrophobicContact CD2-CG1 4.03Å; Y691-V695 HydrophobicContact CE1-CG1 4.01Å; Y691-V695 HydrophobicContact CE1-CG2 3.95Å; Y691-V695 HydrophobicContact CE2-CG1 3.61Å; Y691-V695 HydrophobicContact CG-CG1 4.42Å; Y691-V695 PolarHBondContact O-N 3.42Å; K692-V695 WeakPolarHBondContact O-CG2 3.49Å; K692-V695 PolarHBondContact O-N 3.22Å
696T93.3Very high94.8Very high81 Ų8138.3 Ų38.350%0.49718%0.184SC..Hα-helixtrans-103.3-47.9-177.7580000113.7K692K692-T696 HydrophobicContact CG-CG2 4.36Å; K692-T696 WeakPolarHBondContact O-CB 3.46Å; K692-T696 WeakPolarHBondContact O-CG2 3.19Å; K692-T696 PolarHBondContact O-N 2.98Å; K692-T696 PolarHBondContact O-OG1 3.42Å
697E91.3Very high95.1Very high97 Ų9740 Ų4045%0.45320%0.201SC..THydrogen-bonded Turntrans-108.7-50-171.1-68.1177.8-15100112.8K693 K699K693-E697 HydrophobicContact CG-CB 4.39Å; K693-E697 PolarHBondContact O-N 2.99Å; E697-K699 VanDerWaalsContact C-N 3.27Å; E697-K699 HydrophobicContact CB-CG 4.39Å; E697-K699 PolarHBondContact O-N 3.44Å; E697-K699 WeakPolarHBondContact OE2-CE 3.32Å; E697-K699 IonicContact OE2-NZ 3.93Å
698D94.8Very high95.3Very high6 Ų642.3 Ų42.33%0.03221%0.213CC..  trans24.863.2-171.5177.328.6000113.4Y655 P657 K693 L694 F700 M701 V702 C703Y655-D698 HydrophobicContact CE1-CB 3.85Å; Y655-D698 VanDerWaalsContact CE1-O 3.23Å; Y655-D698 WeakPolarHBondContact CE1-O 3.37Å; Y655-D698 PolarHBondContact OH-OD2 2.76Å; P657-D698 HydrophobicContact CB-CB 4.3Å; P657-D698 HydrophobicContact CG-CB 3.8Å; K693-D698 PolarHBondContact O-N 3.37Å; L694-D698 VanDerWaalsContact O-CB 3.28Å; L694-D698 WeakPolarHBondContact O-CB 3.35Å; D698-F700 PolarHBondContact O-N 2.86Å; D698-M701 PolarHBondContact O-N 2.82Å; D698-M701 PolarHBondContact OD1-N 3.41Å; D698-M701 VanDerWaalsContact OD1-N 3.13Å; D698-M701 WeakPolarHBondContact OD2-CA 3.42Å; D698-V702 VanDerWaalsContact CG-N 3.3Å; D698-V702 WeakPolarHBondContact OD1-CB 3.46Å; D698-V702 PolarHBondContact OD1-N 2.73Å; D698-V702 PolarHBondContact OD2-N 3.01Å; D698-C703 PolarHBondContact OD2-N 3.07Å
699K92.8Very high95.6Very high122 Ų12238.1 Ų38.153%0.5320%0.195SC..THydrogen-bonded Turntrans-52.7-22.2-173.8-62.2-171.7-178.2-174.40113.9E697E697-K699 VanDerWaalsContact C-N 3.27Å; E697-K699 HydrophobicContact CB-CG 4.39Å; E697-K699 PolarHBondContact O-N 3.44Å; E697-K699 WeakPolarHBondContact OE2-CE 3.32Å; E697-K699 IonicContact OE2-NZ 3.93Å
700F95.4Very high95.9Very high23 Ų2333.9 Ų33.910%0.10117%0.172CC..THydrogen-bonded Turntrans-112.713.5-174.2-53.3-66.6000113.5E501 R504 C597 T600 D698 V702E501-F700 HydrophobicContact CB-CD2 3.45Å; E501-F700 VanDerWaalsContact CB-CD2 3.45Å; E501-F700 HydrophobicContact CB-CE2 3.32Å; E501-F700 HydrophobicContact CB-CZ 4.38Å; E501-F700 HydrophobicContact CG-CE2 4.4Å; R504-F700 WeakPolarHBondContact CD-O 3.21Å; R504-F700 HydrophobicContact CG-CB 4.39Å; C597-F700 HydrophobicContact CB-CB 3.97Å; C597-F700 HydrophobicContact CB-CD1 4.32Å; C597-F700 WeakPolarHBondContact CB-O 3.39Å; C597-F700 PolarHBondContact SG-O 3.45Å; C597-F700 VanDerWaalsContact SG-O 3.33Å; T600-F700 HydrophobicContact CG2-CD1 4.41Å; D698-F700 PolarHBondContact O-N 2.86Å; F700-V702 VanDerWaalsContact C-N 3.27Å; F700-V702 PolarHBondContact O-N 3.24Å
701M96.9Very high96.1Very high2 Ų238.1 Ų38.11%0.0119%0.188CC..  trans5638.3169.4-59.3-176.4-178.100113.7V647 L650 R651 Y655 D698 C703 A704 D705V647-M701 HydrophobicContact CB-CE 4.44Å; V647-M701 HydrophobicContact CB-SD 4.29Å; V647-M701 HydrophobicContact CG1-CE 3.9Å; V647-M701 HydrophobicContact CG1-SD 4.09Å; V647-M701 HydrophobicContact CG2-SD 3.97Å; V647-M701 WeakPolarHBondContact O-CE 3.48Å; L650-M701 HydrophobicContact CB-CE 3.74Å; L650-M701 HydrophobicContact CB-SD 4.48Å; L650-M701 HydrophobicContact CD1-CE 4.34Å; L650-M701 HydrophobicContact CD1-SD 4.05Å; R651-M701 HydrophobicContact CG-CE 3.7Å; Y655-M701 HydrophobicContact CD1-CG 4.4Å; Y655-M701 HydrophobicContact CE1-CG 4.18Å; Y655-M701 HydrophobicContact CE2-CG 4.45Å; D698-M701 PolarHBondContact O-N 2.82Å; D698-M701 PolarHBondContact OD1-N 3.41Å; D698-M701 VanDerWaalsContact OD1-N 3.13Å; D698-M701 WeakPolarHBondContact OD2-CA 3.42Å; M701-C703 VanDerWaalsContact C-N 3.32Å; M701-A704 HydrophobicContact CB-CB 3.84Å; M701-A704 HydrophobicContact CG-CB 4.49Å; M701-A704 PolarHBondContact O-N 3.34Å; M701-D705 PolarHBondContact O-N 2.73Å; M701-D705 VanDerWaalsContact O-N 3.17Å
702V97.7Very high96.3Very high4 Ų436.2 Ų36.22%0.02418%0.18CC..Hα-helixtrans-58.4-46.5174.1175.70000110.2R504 L506 L507 L510 L694 D698 F700 A704 Y706R504-V702 HydrophobicContact CB-CG2 4.44Å; R504-V702 HydrophobicContact CG-CG2 3.99Å; L506-V702 HydrophobicContact CB-CG1 4.31Å; L507-V702 HydrophobicContact CD2-CG1 3.96Å; L507-V702 HydrophobicContact CG-CG1 4.21Å; L510-V702 HydrophobicContact CD1-CG1 3.75Å; L694-V702 HydrophobicContact CD2-CB 4.18Å; L694-V702 HydrophobicContact CD2-CG1 4.43Å; L694-V702 HydrophobicContact CD2-CG2 4.4Å; D698-V702 VanDerWaalsContact CG-N 3.3Å; D698-V702 WeakPolarHBondContact OD1-CB 3.46Å; D698-V702 PolarHBondContact OD1-N 2.73Å; D698-V702 PolarHBondContact OD2-N 3.01Å; F700-V702 VanDerWaalsContact C-N 3.27Å; F700-V702 PolarHBondContact O-N 3.24Å; V702-A704 VanDerWaalsContact C-N 3.35Å; V702-Y706 PolarHBondContact O-N 2.74Å
703C97.9Very high96.4Very high3 Ų330 Ų302%0.0215%0.153CC..Hα-helixtrans-70-34.9-178.9-58.90000111.8P657 I661 L667 D698 M701P657-C703 HydrophobicContact CB-CB 4.34Å; I661-C703 HydrophobicContact CG1-CB 4.25Å; L667-C703 HydrophobicContact CD2-CB 4.1Å; D698-C703 PolarHBondContact OD2-N 3.07Å; M701-C703 VanDerWaalsContact C-N 3.32Å
704A97.5Very high96.7Very high6 Ų631 Ų315%0.0517%0.169CC..Hα-helixtrans-65-45.5-179.300000111.7R642 Y655 Y660 M701 V702R642-A704 VanDerWaalsContact CZ-CB 3.49Å; R642-A704 PolarHBondContact NH1-O 3.35Å; R642-A704 PolarHBondContact NH2-O 3.47Å; Y655-A704 HydrophobicContact CE2-CB 3.67Å; Y655-A704 PolarHBondContact OH-N 3.49Å; Y660-A704 HydrophobicContact CD1-CB 4.43Å; Y660-A704 HydrophobicContact CD2-CB 4.28Å; Y660-A704 HydrophobicContact CE1-CB 4.26Å; Y660-A704 HydrophobicContact CE2-CB 4.1Å; Y660-A704 HydrophobicContact CG-CB 4.43Å; M701-A704 HydrophobicContact CB-CB 3.84Å; M701-A704 HydrophobicContact CG-CB 4.49Å; M701-A704 PolarHBondContact O-N 3.34Å; V702-A704 VanDerWaalsContact C-N 3.35Å
705D98.1Very high96.8Very high0 Ų034.3 Ų34.30%019%0.185CC..Hα-helixtrans-88-7.7-174.7-77-7.1000113.6R504 F640 R642 M701 A707 D708 Y709R504-D705 IonicContact CZ-OD2 2.72Å; R504-D705 IonicContact NH1-OD2 3.7Å; R504-D705 PolarHBondContact NH1-OD2 2.74Å; R504-D705 IonicContact NH2-OD2 2.93Å; F640-D705 HydrophobicContact CE2-CB 4.45Å; R642-D705 WeakPolarHBondContact CG-OD1 3.49Å; R642-D705 IonicContact CZ-OD1 3.76Å; R642-D705 PolarHBondContact N-OD1 3.05Å; R642-D705 IonicContact NH1-OD1 2.79Å; R642-D705 PolarHBondContact NH1-OD1 2.8Å; M701-D705 PolarHBondContact O-N 2.73Å; M701-D705 VanDerWaalsContact O-N 3.17Å; D705-A707 PolarHBondContact O-N 3.22Å; D705-D708 PolarHBondContact O-N 3.41Å; D705-Y709 WeakPolarHBondContact O-CB 3.42Å; D705-Y709 PolarHBondContact O-N 3.27Å
706Y98.6Very high97Very high1 Ų133.5 Ų33.50%0.00418%0.18CC..Hα-helixtrans-52.8-49.7-176.8170.6-93.3000113.3L510 T514 L667 V702 D708 Y709 M710L510-Y706 HydrophobicContact CB-CD2 4.21Å; L510-Y706 HydrophobicContact CB-CE2 4.02Å; L510-Y706 HydrophobicContact CD1-CD2 4.34Å; T514-Y706 WeakPolarHBondContact CG2-OH 3.42Å; T514-Y706 PolarHBondContact OG1-OH 3.07Å; L667-Y706 HydrophobicContact CB-CD1 3.74Å; L667-Y706 HydrophobicContact CB-CE1 3.63Å; L667-Y706 HydrophobicContact CB-CG 4.35Å; L667-Y706 HydrophobicContact CD1-CD1 4.16Å; L667-Y706 HydrophobicContact CD1-CD2 3.91Å; L667-Y706 HydrophobicContact CD1-CE1 4.43Å; L667-Y706 HydrophobicContact CD1-CE2 4.2Å; L667-Y706 HydrophobicContact CD1-CG 3.89Å; L667-Y706 HydrophobicContact CD2-CD1 4.06Å; L667-Y706 HydrophobicContact CD2-CG 4.17Å; L667-Y706 HydrophobicContact CG-CD1 4.2Å; L667-Y706 HydrophobicContact CG-CE1 4.48Å; L667-Y706 HydrophobicContact CG-CG 4.36Å; V702-Y706 PolarHBondContact O-N 2.74Å; Y706-D708 VanDerWaalsContact C-N 3.33Å; Y706-D708 PolarHBondContact O-N 3.46Å; Y706-Y709 WeakPolarHBondContact O-CB 3.44Å; Y706-Y709 PolarHBondContact O-N 2.88Å; Y706-M710 HydrophobicContact CD1-CG 4.3Å; Y706-M710 HydrophobicContact CD2-CG 4.42Å; Y706-M710 HydrophobicContact CE1-CG 3.87Å; Y706-M710 HydrophobicContact CE2-CG 4.01Å; Y706-M710 HydrophobicContact CE2-SD 3.99Å; Y706-M710 WeakPolarHBondContact O-CG 3.39Å; Y706-M710 PolarHBondContact O-N 3.34Å
707A98.1Very high97.2Very high56 Ų5630.9 Ų30.946%0.46316%0.162SC..Hα-helixtrans-63.9-39.6-176.400000112.2D705 M710 R711D705-A707 PolarHBondContact O-N 3.22Å; A707-M710 PolarHBondContact O-N 3.25Å; A707-R711 PolarHBondContact O-N 3.44Å; A707-R711 VanDerWaalsContact O-N 3.11Å
708D98.2Very high97.4Very high50 Ų5029.5 Ų29.527%0.26716%0.163SC..Hα-helixtrans-73.4-34.5179.3-161.746.8000112F640 G641 D705 Y706 R711 A712F640-D708 VanDerWaalsContact CA-OD2 3.26Å; F640-D708 WeakPolarHBondContact CA-OD2 3.09Å; F640-D708 WeakPolarHBondContact CB-OD2 3.22Å; G641-D708 PolarHBondContact N-OD2 2.73Å; D705-D708 PolarHBondContact O-N 3.41Å; Y706-D708 VanDerWaalsContact C-N 3.33Å; Y706-D708 PolarHBondContact O-N 3.46Å; D708-R711 WeakPolarHBondContact O-CB 3.36Å; D708-R711 PolarHBondContact O-N 3.2Å; D708-R711 IonicContact OD1-CZ 2.68Å; D708-R711 IonicContact OD1-NE 2.74Å; D708-R711 PolarHBondContact OD1-NE 2.67Å; D708-R711 IonicContact OD1-NH2 2.7Å; D708-R711 PolarHBondContact OD1-NH2 2.89Å; D708-R711 IonicContact OD2-NH2 2.73Å; D708-R711 PolarHBondContact OD2-NH2 3.03Å; D708-A712 PolarHBondContact O-N 3.18Å
709Y98.6Very high97.6Very high0 Ų029.2 Ų29.20%016%0.162CC..Hα-helixtrans-60.4-44.4169.5179.3-121.2000111.8L507 P508 Y511 E593 I595 I618 F640 D705 Y706 R711 A712 Q713L507-Y709 HydrophobicContact CB-CD1 4.04Å; L507-Y709 HydrophobicContact CB-CE1 3.86Å; L507-Y709 HydrophobicContact CD2-CD1 4.1Å; L507-Y709 HydrophobicContact CD2-CG 4.47Å; L507-Y709 WeakPolarHBondContact O-CE1 3.34Å; P508-Y709 WeakPolarHBondContact CA-OH 3.41Å; Y511-Y709 HydrophobicContact CG-CE1 4.49Å; E593-Y709 VanDerWaalsContact CD-OH 3.28Å; E593-Y709 PolarHBondContact OE1-OH 3.02Å; E593-Y709 PolarHBondContact OE2-OH 2.92Å; I595-Y709 HydrophobicContact CG2-CE2 4.42Å; I618-Y709 HydrophobicContact CD1-CD2 3.96Å; I618-Y709 HydrophobicContact CD1-CE2 3.73Å; I618-Y709 HydrophobicContact CG1-CE2 4.42Å; F640-Y709 HydrophobicContact CD1-CD2 4.11Å; F640-Y709 VanDerWaalsContact CD2-CA 3.49Å; F640-Y709 HydrophobicContact CD2-CD2 4.14Å; F640-Y709 HydrophobicContact CD2-CG 4.37Å; F640-Y709 AromaticContact CE1-CD2 3.57Å; F640-Y709 HydrophobicContact CE1-CD2 3.57Å; F640-Y709 HydrophobicContact CE1-CE2 4.14Å; F640-Y709 VanDerWaalsContact CE2-CB 3.49Å; F640-Y709 AromaticContact CE2-CD2 3.64Å; F640-Y709 HydrophobicContact CE2-CD2 3.64Å; F640-Y709 AromaticContact CE2-CG 3.91Å; F640-Y709 HydrophobicContact CE2-CG 3.91Å; F640-Y709 HydrophobicContact CG-CD2 4.37Å; F640-Y709 AromaticContact CZ-CD2 3.3Å; F640-Y709 HydrophobicContact CZ-CD2 3.3Å; F640-Y709 HydrophobicContact CZ-CE2 4.04Å; F640-Y709 HydrophobicContact CZ-CG 4.02Å; D705-Y709 WeakPolarHBondContact O-CB 3.42Å; D705-Y709 PolarHBondContact O-N 3.27Å; Y706-Y709 WeakPolarHBondContact O-CB 3.44Å; Y706-Y709 PolarHBondContact O-N 2.88Å; Y709-R711 VanDerWaalsContact C-N 3.34Å; Y709-R711 PolarHBondContact O-N 2.94Å; Y709-A712 PolarHBondContact O-N 3.1Å; Y709-Q713 HydrophobicContact CD2-CG 4.31Å; Y709-Q713 HydrophobicContact CE1-CG 4.29Å; Y709-Q713 HydrophobicContact CE2-CG 3.98Å; Y709-Q713 WeakPolarHBondContact O-CG 3.47Å; Y709-Q713 PolarHBondContact O-N 3.39Å; Y709-Q713 PolarHBondContact OH-NE2 2.91Å
710M98.4Very high97.8Very high18 Ų1825.7 Ų25.79%0.08915%0.145CC..Hα-helixtrans-61.7-39.5175.9-67.6-57.4-58.300112.2Y511 T514 Y706 A707 Q713 A714Y511-M710 HydrophobicContact CD2-CE 3.73Å; Y511-M710 HydrophobicContact CD2-SD 3.62Å; Y511-M710 HydrophobicContact CE2-CE 4.06Å; Y511-M710 HydrophobicContact CE2-SD 4.48Å; Y511-M710 HydrophobicContact CG-SD 4.45Å; T514-M710 HydrophobicContact CG2-CE 3.65Å; T514-M710 HydrophobicContact CG2-SD 4.44Å; Y706-M710 HydrophobicContact CD1-CG 4.3Å; Y706-M710 HydrophobicContact CD2-CG 4.42Å; Y706-M710 HydrophobicContact CE1-CG 3.87Å; Y706-M710 HydrophobicContact CE2-CG 4.01Å; Y706-M710 HydrophobicContact CE2-SD 3.99Å; Y706-M710 WeakPolarHBondContact O-CG 3.39Å; Y706-M710 PolarHBondContact O-N 3.34Å; A707-M710 PolarHBondContact O-N 3.25Å; M710-Q713 PolarHBondContact O-N 3.33Å; M710-A714 PolarHBondContact O-N 2.98Å; M710-A714 VanDerWaalsContact O-N 3.11Å
711R98.1Very high97.8Very high92 Ų9230.7 Ų30.735%0.34717%0.167SC..Hα-helixtrans-58.9-52.3172.4173.1-160.856.475.90.4110.8V639 A707 D708 Y709 Q713 A714 E715V639-R711 PolarHBondContact O-NH2 3.22Å; V639-R711 VanDerWaalsContact O-NH2 3.16Å; A707-R711 PolarHBondContact O-N 3.44Å; A707-R711 VanDerWaalsContact O-N 3.11Å; D708-R711 WeakPolarHBondContact O-CB 3.36Å; D708-R711 PolarHBondContact O-N 3.2Å; D708-R711 IonicContact OD1-CZ 2.68Å; D708-R711 IonicContact OD1-NE 2.74Å; D708-R711 PolarHBondContact OD1-NE 2.67Å; D708-R711 IonicContact OD1-NH2 2.7Å; D708-R711 PolarHBondContact OD1-NH2 2.89Å; D708-R711 IonicContact OD2-NH2 2.73Å; D708-R711 PolarHBondContact OD2-NH2 3.03Å; Y709-R711 VanDerWaalsContact C-N 3.34Å; Y709-R711 PolarHBondContact O-N 2.94Å; R711-Q713 VanDerWaalsContact C-N 3.25Å; R711-Q713 PolarHBondContact O-N 2.73Å; R711-A714 WeakPolarHBondContact O-CB 3.33Å; R711-A714 PolarHBondContact O-N 3.26Å; R711-E715 IonicContact CZ-OE1 3.78Å; R711-E715 VanDerWaalsContact NH1-CD 3.29Å; R711-E715 IonicContact NH1-OE1 3.24Å; R711-E715 PolarHBondContact NH1-OE1 3.48Å; R711-E715 IonicContact NH1-OE2 2.7Å; R711-E715 PolarHBondContact NH1-OE2 3.47Å; R711-E715 PolarHBondContact O-N 3.14Å; R711-E715 VanDerWaalsContact O-N 3.09Å
712A98.4Very high97.8Very high0 Ų034.1 Ų34.10%019%0.185CC..Hα-helixtrans-61.5-35.4-179.300000112.2I618 F640 D708 Y709 A714 E715 V716I618-A712 HydrophobicContact CD1-CB 3.87Å; I618-A712 HydrophobicContact CG1-CB 4.37Å; F640-A712 HydrophobicContact CB-CB 3.72Å; F640-A712 HydrophobicContact CD1-CB 4.32Å; F640-A712 HydrophobicContact CG-CB 4.24Å; D708-A712 PolarHBondContact O-N 3.18Å; Y709-A712 PolarHBondContact O-N 3.1Å; A712-A714 VanDerWaalsContact C-N 3.33Å; A712-A714 PolarHBondContact O-N 3.41Å; A712-E715 WeakPolarHBondContact O-CB 3.38Å; A712-E715 PolarHBondContact O-N 3.46Å; A712-V716 WeakPolarHBondContact O-CG2 3.37Å; A712-V716 PolarHBondContact O-N 2.97Å
713Q98.4Very high97.7Very high1 Ų141.5 Ų41.51%0.00522%0.22CC..Hα-helixtrans-66-32.3173.8-73.7-71.420.600113.7D493 Y511 R530 E593 I618 Y709 M710 R711 V716 E717D493-Q713 PolarHBondContact OD2-NE2 3.25Å; Y511-Q713 HydrophobicContact CD2-CB 3.94Å; Y511-Q713 HydrophobicContact CD2-CG 3.79Å; Y511-Q713 HydrophobicContact CE2-CB 3.54Å; Y511-Q713 HydrophobicContact CE2-CG 3.82Å; Y511-Q713 HydrophobicContact CG-CG 4.43Å; R530-Q713 VanDerWaalsContact NH1-CD 3.31Å; E593-Q713 PolarHBondContact OE1-NE2 3.19Å; I618-Q713 HydrophobicContact CD1-CG 3.89Å; Y709-Q713 HydrophobicContact CD2-CG 4.31Å; Y709-Q713 HydrophobicContact CE1-CG 4.29Å; Y709-Q713 HydrophobicContact CE2-CG 3.98Å; Y709-Q713 WeakPolarHBondContact O-CG 3.47Å; Y709-Q713 PolarHBondContact O-N 3.39Å; Y709-Q713 PolarHBondContact OH-NE2 2.91Å; M710-Q713 PolarHBondContact O-N 3.33Å; R711-Q713 VanDerWaalsContact C-N 3.25Å; R711-Q713 PolarHBondContact O-N 2.73Å; Q713-V716 WeakPolarHBondContact O-CB 3.41Å; Q713-V716 PolarHBondContact O-N 3.25Å; Q713-E717 PolarHBondContact O-N 2.86Å; Q713-E717 VanDerWaalsContact O-N 3.1Å
714A97.7Very high97.7Very high62 Ų6245 Ų4551%0.51224%0.241SC..Hα-helixtrans-68.6-36.9171.900000111.8M710 R711 A712 E717 S718M710-A714 PolarHBondContact O-N 2.98Å; M710-A714 VanDerWaalsContact O-N 3.11Å; R711-A714 WeakPolarHBondContact O-CB 3.33Å; R711-A714 PolarHBondContact O-N 3.26Å; A712-A714 VanDerWaalsContact C-N 3.33Å; A712-A714 PolarHBondContact O-N 3.41Å; A714-E717 PolarHBondContact O-N 3.06Å; A714-S718 PolarHBondContact O-N 3.04Å
715E97.8Very high97.7Very high80 Ų8049.8 Ų49.837%0.37426%0.258SS..Hα-helixtrans-65-39.8173-68.5172.2-16100112.1F638 R711 A712 S718 A719F638-E715 HydrophobicContact CD1-CB 4.05Å; F638-E715 HydrophobicContact CE1-CB 4.32Å; R711-E715 IonicContact CZ-OE1 3.78Å; R711-E715 VanDerWaalsContact NH1-CD 3.29Å; R711-E715 IonicContact NH1-OE1 3.24Å; R711-E715 PolarHBondContact NH1-OE1 3.48Å; R711-E715 IonicContact NH1-OE2 2.7Å; R711-E715 PolarHBondContact NH1-OE2 3.47Å; R711-E715 PolarHBondContact O-N 3.14Å; R711-E715 VanDerWaalsContact O-N 3.09Å; A712-E715 WeakPolarHBondContact O-CB 3.38Å; A712-E715 PolarHBondContact O-N 3.46Å; E715-S718 PolarHBondContact O-N 3.48Å; E715-A719 WeakPolarHBondContact O-CB 3.24Å; E715-A719 PolarHBondContact O-N 2.9Å
716V98.4Very high97.7Very high0 Ų050.5 Ų50.50%026%0.26CS..Hα-helixtrans-56.4-50.2171.8170.60000110.4L491 L591 I618 F638 A712 Q713 S718 A719 Y720 W726L491-V716 HydrophobicContact CD1-CG1 3.82Å; L591-V716 HydrophobicContact CD1-CG1 4Å; L591-V716 HydrophobicContact CD1-CG2 3.82Å; L591-V716 HydrophobicContact CD2-CG1 3.8Å; L591-V716 HydrophobicContact CD2-CG2 4.05Å; L591-V716 HydrophobicContact CG-CG1 4.4Å; I618-V716 HydrophobicContact CD1-CG2 4.28Å; F638-V716 HydrophobicContact CB-CG2 4.06Å; F638-V716 HydrophobicContact CD1-CG2 3.77Å; F638-V716 HydrophobicContact CD2-CG2 3.49Å; F638-V716 VanDerWaalsContact CD2-CG2 3.49Å; F638-V716 HydrophobicContact CE1-CB 4.43Å; F638-V716 HydrophobicContact CE1-CG2 4.02Å; F638-V716 HydrophobicContact CE2-CB 4.45Å; F638-V716 HydrophobicContact CE2-CG2 3.75Å; F638-V716 HydrophobicContact CG-CG2 3.49Å; F638-V716 VanDerWaalsContact CG-CG2 3.49Å; F638-V716 HydrophobicContact CZ-CB 4.36Å; F638-V716 HydrophobicContact CZ-CG2 4.01Å; A712-V716 WeakPolarHBondContact O-CG2 3.37Å; A712-V716 PolarHBondContact O-N 2.97Å; Q713-V716 WeakPolarHBondContact O-CB 3.41Å; Q713-V716 PolarHBondContact O-N 3.25Å; V716-S718 VanDerWaalsContact C-N 3.34Å; V716-S718 PolarHBondContact O-N 2.99Å; V716-A719 PolarHBondContact O-N 3.48Å; V716-Y720 WeakPolarHBondContact O-CB 3.49Å; V716-Y720 PolarHBondContact O-N 3.46Å; V716-W726 HydrophobicContact CG1-CZ3 4.38Å
717E97.3Very high97.7Very high25 Ų2550.6 Ų50.612%0.11726%0.261CS..Hα-helixtrans-62.7-41.2179.7179.9167.6155.800111.8C528 Q713 A714 A719 Y720 K721C528-E717 HydrophobicContact CB-CG 3.88Å; C528-E717 PolarHBondContact N-OE1 3.13Å; Q713-E717 PolarHBondContact O-N 2.86Å; Q713-E717 VanDerWaalsContact O-N 3.1Å; A714-E717 PolarHBondContact O-N 3.06Å; E717-A719 VanDerWaalsContact C-N 3.34Å; E717-A719 PolarHBondContact O-N 3.47Å; E717-Y720 PolarHBondContact O-N 2.92Å; E717-K721 HydrophobicContact CG-CD 4.4Å; E717-K721 WeakPolarHBondContact O-CG 3.43Å; E717-K721 PolarHBondContact O-N 3.37Å; E717-K721 VanDerWaalsContact O-N 3.15Å; E717-K721 VanDerWaalsContact OE1-CE 3.22Å; E717-K721 WeakPolarHBondContact OE1-CE 3.23Å; E717-K721 IonicContact OE1-NZ 2.68Å; E717-K721 PolarHBondContact OE1-NZ 3.25Å
718S97Very high97.7Very high69 Ų6951.4 Ų51.448%0.48325%0.254SS..Hα-helixtrans-62.1-41.1175.3-177.80000112.2A714 E715 V716A714-S718 PolarHBondContact O-N 3.04Å; E715-S718 PolarHBondContact O-N 3.48Å; V716-S718 VanDerWaalsContact C-N 3.34Å; V716-S718 PolarHBondContact O-N 2.99Å
719A97.5Very high97.7Very high0 Ų049.2 Ų49.20%024%0.243CC..Hα-helixtrans-70.7-38.1178.800000111.9F638 E715 V716 E717 K721 D722 W726 M729F638-A719 HydrophobicContact CE1-CB 3.9Å; F638-A719 HydrophobicContact CZ-CB 3.69Å; E715-A719 WeakPolarHBondContact O-CB 3.24Å; E715-A719 PolarHBondContact O-N 2.9Å; V716-A719 PolarHBondContact O-N 3.48Å; E717-A719 VanDerWaalsContact C-N 3.34Å; E717-A719 PolarHBondContact O-N 3.47Å; A719-K721 VanDerWaalsContact C-N 3.31Å; A719-K721 PolarHBondContact O-N 3.22Å; A719-D722 CarbonylContact O-C 3.51Å; A719-D722 PolarHBondContact O-N 2.83Å; A719-D722 VanDerWaalsContact O-N 3.16Å; A719-W726 HydrophobicContact CB-CE3 4.19Å; A719-M729 HydrophobicContact CB-SD 4.31Å
720Y97.3Very high97.7Very high48 Ų4849.4 Ų49.419%0.18824%0.244CC..Hα-helixtrans-67.9-30.7179.5-167.6-95.8000112.6L491 C528 D590 V716 E717 D722 W726L491-Y720 HydrophobicContact CB-CD1 4.4Å; L491-Y720 HydrophobicContact CB-CD2 4.38Å; L491-Y720 HydrophobicContact CB-CE1 4.09Å; L491-Y720 HydrophobicContact CB-CE2 4.08Å; L491-Y720 HydrophobicContact CD1-CD1 4.22Å; L491-Y720 HydrophobicContact CD1-CD2 3.62Å; L491-Y720 HydrophobicContact CD1-CE2 4.14Å; L491-Y720 HydrophobicContact CD1-CG 3.66Å; L491-Y720 HydrophobicContact CG-CD2 3.99Å; L491-Y720 HydrophobicContact CG-CE2 3.98Å; L491-Y720 HydrophobicContact CG-CG 4.37Å; C528-Y720 WeakPolarHBondContact SG-CD1 3.39Å; C528-Y720 VanDerWaalsContact SG-CE1 3.56Å; D590-Y720 HydrophobicContact CB-CE2 4.32Å; V716-Y720 WeakPolarHBondContact O-CB 3.49Å; V716-Y720 PolarHBondContact O-N 3.46Å; E717-Y720 PolarHBondContact O-N 2.92Å; Y720-D722 VanDerWaalsContact C-N 3.25Å; Y720-D722 PolarHBondContact O-N 3.41Å; Y720-W726 VanDerWaalsContact CA-CE3 3.49Å; Y720-W726 AromaticContact CD2-CD2 3.71Å; Y720-W726 HydrophobicContact CD2-CD2 3.71Å; Y720-W726 AromaticContact CD2-CE2 3.59Å; Y720-W726 AromaticContact CD2-CE3 3.83Å; Y720-W726 HydrophobicContact CD2-CE3 3.83Å; Y720-W726 HydrophobicContact CD2-CG 4.41Å; Y720-W726 AromaticContact CD2-CH2 3.76Å; Y720-W726 HydrophobicContact CD2-CH2 3.76Å; Y720-W726 AromaticContact CD2-CZ2 3.66Å; Y720-W726 HydrophobicContact CD2-CZ2 3.66Å; Y720-W726 AromaticContact CD2-CZ3 3.82Å; Y720-W726 HydrophobicContact CD2-CZ3 3.82Å; Y720-W726 HydrophobicContact CE2-CZ2 4.1Å; Y720-W726 HydrophobicContact CG-CD2 4.48Å; Y720-W726 HydrophobicContact CG-CE3 4.31Å; Y720-W726 HydrophobicContact CG-CZ3 4.37Å
721K96.3Very high97.7Very high128 Ų12848.7 Ų48.756%0.55724%0.24SC*.Hα-helixtrans-68.2-23.2172.7-73.4172.9-175.7167.80113.2E717 A719E717-K721 HydrophobicContact CG-CD 4.4Å; E717-K721 WeakPolarHBondContact O-CG 3.43Å; E717-K721 PolarHBondContact O-N 3.37Å; E717-K721 VanDerWaalsContact O-N 3.15Å; E717-K721 VanDerWaalsContact OE1-CE 3.22Å; E717-K721 WeakPolarHBondContact OE1-CE 3.23Å; E717-K721 IonicContact OE1-NZ 2.68Å; E717-K721 PolarHBondContact OE1-NZ 3.25Å; A719-K721 VanDerWaalsContact C-N 3.31Å; A719-K721 PolarHBondContact O-N 3.22Å
722D97.1Very high97.7Very high74 Ų7445.6 Ų45.640%0.39623%0.23SC..  trans-97.491.4175.3-179.5-14.8000109.7A719 Y720 V724 R725 W726A719-D722 CarbonylContact O-C 3.51Å; A719-D722 PolarHBondContact O-N 2.83Å; A719-D722 VanDerWaalsContact O-N 3.16Å; Y720-D722 VanDerWaalsContact C-N 3.25Å; Y720-D722 PolarHBondContact O-N 3.41Å; D722-V724 PolarHBondContact O-N 2.91Å; D722-V724 PolarHBondContact OD1-N 2.79Å; D722-R725 HydrophobicContact CB-CB 3.85Å; D722-R725 PolarHBondContact O-N 3.31Å; D722-R725 WeakPolarHBondContact OD1-CB 3.42Å; D722-R725 PolarHBondContact OD1-N 2.9Å; D722-R725 VanDerWaalsContact OD2-CB 3.23Å; D722-R725 WeakPolarHBondContact OD2-CB 3.45Å; D722-W726 WeakPolarHBondContact O-CB 3.38Å; D722-W726 PolarHBondContact O-N 3.39Å
723E96Very high97.7Very high159 Ų15945.6 Ų45.674%0.74323%0.23SC*.Hα-helixtrans-57.2-34.2-176.4-62.6-176.5174.200113.1S727E723-S727 VanDerWaalsContact O-CB 3.25Å; E723-S727 WeakPolarHBondContact O-CB 3.4Å; E723-S727 PolarHBondContact O-N 2.61Å; E723-S727 PolarHBondContact O-OG 3.41Å
724V97.3Very high97.7Very high77 Ų7745.7 Ų45.747%0.46723%0.23SC..Hα-helixtrans-72.3-45.7180178.80000110D722 S727 K728D722-V724 PolarHBondContact O-N 2.91Å; D722-V724 PolarHBondContact OD1-N 2.79Å; V724-S727 PolarHBondContact O-OG 3.1Å; V724-S727 VanDerWaalsContact O-OG 3.08Å; V724-K728 HydrophobicContact CG1-CD 4.38Å; V724-K728 WeakPolarHBondContact O-CB 3.46Å; V724-K728 VanDerWaalsContact O-CG 3.3Å; V724-K728 WeakPolarHBondContact O-CG 3.16Å; V724-K728 PolarHBondContact O-N 3.36Å; V724-K728 VanDerWaalsContact O-N 3.13Å
725R97.3Very high97.6Very high106 Ų10642.7 Ų42.740%0.421%0.206SC..Hα-helixtrans-63.1-48.5175.3179.7180175.3-171.9-1.7111.1D722 S727 K728 M729D722-R725 HydrophobicContact CB-CB 3.85Å; D722-R725 PolarHBondContact O-N 3.31Å; D722-R725 WeakPolarHBondContact OD1-CB 3.42Å; D722-R725 PolarHBondContact OD1-N 2.9Å; D722-R725 VanDerWaalsContact OD2-CB 3.23Å; D722-R725 WeakPolarHBondContact OD2-CB 3.45Å; R725-S727 PolarHBondContact O-N 2.72Å; R725-K728 PolarHBondContact O-N 2.94Å; R725-M729 HydrophobicContact CG-CG 4.48Å; R725-M729 HydrophobicContact CG-SD 3.95Å; R725-M729 VanDerWaalsContact O-CG 3.31Å; R725-M729 WeakPolarHBondContact O-CG 3.3Å; R725-M729 PolarHBondContact O-N 3.29Å
726W98Very high97.6Very high14 Ų1439 Ų395%0.05319%0.189CC..Hα-helixtrans-57.4-50.7179.6-173.3-94000111.7D590 L616 F638 V716 A719 Y720 D722 K728 M729 V730D590-W726 HydrophobicContact CB-CZ2 3.95Å; L616-W726 HydrophobicContact CB-CH2 4.26Å; L616-W726 HydrophobicContact CD1-CD2 3.85Å; L616-W726 HydrophobicContact CD1-CE3 3.58Å; L616-W726 HydrophobicContact CD1-CH2 3.66Å; L616-W726 HydrophobicContact CD1-CZ2 3.88Å; L616-W726 HydrophobicContact CD1-CZ3 3.52Å; L616-W726 HydrophobicContact CG-CH2 4.06Å; L616-W726 HydrophobicContact CG-CZ2 4Å; L616-W726 HydrophobicContact CG-CZ3 4.42Å; F638-W726 HydrophobicContact CE2-CZ3 4.32Å; F638-W726 HydrophobicContact CZ-CZ3 4.27Å; V716-W726 HydrophobicContact CG1-CZ3 4.38Å; A719-W726 HydrophobicContact CB-CE3 4.19Å; Y720-W726 VanDerWaalsContact CA-CE3 3.49Å; Y720-W726 AromaticContact CD2-CD2 3.71Å; Y720-W726 HydrophobicContact CD2-CD2 3.71Å; Y720-W726 AromaticContact CD2-CE2 3.59Å; Y720-W726 AromaticContact CD2-CE3 3.83Å; Y720-W726 HydrophobicContact CD2-CE3 3.83Å; Y720-W726 HydrophobicContact CD2-CG 4.41Å; Y720-W726 AromaticContact CD2-CH2 3.76Å; Y720-W726 HydrophobicContact CD2-CH2 3.76Å; Y720-W726 AromaticContact CD2-CZ2 3.66Å; Y720-W726 HydrophobicContact CD2-CZ2 3.66Å; Y720-W726 AromaticContact CD2-CZ3 3.82Å; Y720-W726 HydrophobicContact CD2-CZ3 3.82Å; Y720-W726 HydrophobicContact CE2-CZ2 4.1Å; Y720-W726 HydrophobicContact CG-CD2 4.48Å; Y720-W726 HydrophobicContact CG-CE3 4.31Å; Y720-W726 HydrophobicContact CG-CZ3 4.37Å; D722-W726 WeakPolarHBondContact O-CB 3.38Å; D722-W726 PolarHBondContact O-N 3.39Å; W726-K728 VanDerWaalsContact C-N 3.31Å; W726-K728 PolarHBondContact O-N 3.34Å; W726-M729 PolarHBondContact O-N 2.95Å; W726-M729 VanDerWaalsContact O-N 3.17Å; W726-V730 WeakPolarHBondContact O-CG2 3.31Å; W726-V730 PolarHBondContact O-N 2.63Å
727S98Very high97.6Very high4 Ų439.1 Ų39.13%0.02819%0.19CC..Hα-helixtrans-63.6-34.2-179.760.60000113.3R460 E723 V724 R725 L731R460-S727 WeakPolarHBondContact CD-OG 3.26Å; E723-S727 VanDerWaalsContact O-CB 3.25Å; E723-S727 WeakPolarHBondContact O-CB 3.4Å; E723-S727 PolarHBondContact O-N 2.61Å; E723-S727 PolarHBondContact O-OG 3.41Å; V724-S727 PolarHBondContact O-OG 3.1Å; V724-S727 VanDerWaalsContact O-OG 3.08Å; R725-S727 PolarHBondContact O-N 2.72Å; S727-L731 WeakPolarHBondContact O-CB 3.21Å; S727-L731 PolarHBondContact O-N 3.11Å; S727-L731 VanDerWaalsContact O-N 3.09Å
728K98.1Very high97.6Very high73 Ų7338 Ų3832%0.31719%0.185SC..Hα-helixtrans-65.9-45.6172.2-76.9-179.3175.6-170.70112N455 V724 R725 W726 V730 L731 M732N455-K728 PolarHBondContact OD1-NZ 2.97Å; V724-K728 HydrophobicContact CG1-CD 4.38Å; V724-K728 WeakPolarHBondContact O-CB 3.46Å; V724-K728 VanDerWaalsContact O-CG 3.3Å; V724-K728 WeakPolarHBondContact O-CG 3.16Å; V724-K728 PolarHBondContact O-N 3.36Å; V724-K728 VanDerWaalsContact O-N 3.13Å; R725-K728 PolarHBondContact O-N 2.94Å; W726-K728 VanDerWaalsContact C-N 3.31Å; W726-K728 PolarHBondContact O-N 3.34Å; K728-V730 VanDerWaalsContact C-N 3.32Å; K728-V730 PolarHBondContact O-N 2.77Å; K728-L731 PolarHBondContact O-N 3.24Å; K728-M732 WeakPolarHBondContact O-CB 3.29Å; K728-M732 PolarHBondContact O-N 2.87Å
729M98.3Very high97.6Very high4 Ų437.2 Ų37.22%0.0217%0.173CC..Hα-helixtrans-61.1-42.7177-67.2171.875.200111.1L616 F638 A719 R725 W726 M732 N733L616-M729 HydrophobicContact CD1-CB 3.84Å; L616-M729 HydrophobicContact CD1-CE 3.84Å; L616-M729 HydrophobicContact CD1-SD 4.12Å; L616-M729 HydrophobicContact CD2-CB 3.74Å; L616-M729 HydrophobicContact CG-CB 4.49Å; F638-M729 HydrophobicContact CE1-CE 4.18Å; F638-M729 HydrophobicContact CE2-CE 4.08Å; F638-M729 HydrophobicContact CZ-CE 3.68Å; A719-M729 HydrophobicContact CB-SD 4.31Å; R725-M729 HydrophobicContact CG-CG 4.48Å; R725-M729 HydrophobicContact CG-SD 3.95Å; R725-M729 VanDerWaalsContact O-CG 3.31Å; R725-M729 WeakPolarHBondContact O-CG 3.3Å; R725-M729 PolarHBondContact O-N 3.29Å; W726-M729 PolarHBondContact O-N 2.95Å; W726-M729 VanDerWaalsContact O-N 3.17Å; M729-M732 PolarHBondContact O-N 3.46Å; M729-N733 PolarHBondContact O-N 2.96Å; M729-N733 PolarHBondContact O-ND2 3.18Å
730V98.5Very high97.6Very high4 Ų437.4 Ų37.42%0.02417%0.174CC..Hα-helixtrans-60.3-48.5177.9168.30000111L463 G614 L616 W726 K728 M732 N733 I734L463-V730 HydrophobicContact CD2-CG1 3.95Å; L463-V730 HydrophobicContact CG-CG1 4.28Å; G614-V730 WeakPolarHBondContact O-CG1 3.39Å; L616-V730 HydrophobicContact CD2-CG2 4Å; L616-V730 HydrophobicContact CG-CG2 4.19Å; W726-V730 WeakPolarHBondContact O-CG2 3.31Å; W726-V730 PolarHBondContact O-N 2.63Å; K728-V730 VanDerWaalsContact C-N 3.32Å; K728-V730 PolarHBondContact O-N 2.77Å; V730-M732 VanDerWaalsContact C-N 3.33Å; V730-M732 PolarHBondContact O-N 3.47Å; V730-N733 PolarHBondContact O-N 3.43Å; V730-I734 HydrophobicContact CG1-CD1 4.2Å; V730-I734 WeakPolarHBondContact O-CG1 3.14Å; V730-I734 PolarHBondContact O-N 3.1Å; V730-I734 VanDerWaalsContact O-N 3.16Å
731L98.2Very high97.6Very high2 Ų235.3 Ų35.31%0.0117%0.166CC..Hα-helixtrans-62-41.5177.8178.151.2000111.9L450 K453 L454 F459 R460 L463 S727 K728 N733 I734 A735L450-L731 HydrophobicContact CB-CD1 3.9Å; K453-L731 HydrophobicContact CB-CD2 4.12Å; L454-L731 HydrophobicContact CD2-CB 4.26Å; L454-L731 HydrophobicContact CD2-CD2 4.1Å; L454-L731 HydrophobicContact CD2-CG 4.08Å; L454-L731 HydrophobicContact CG-CD2 4.4Å; F459-L731 HydrophobicContact CD1-CD1 4.48Å; F459-L731 HydrophobicContact CD1-CD2 3.94Å; F459-L731 HydrophobicContact CE1-CD1 3.6Å; F459-L731 HydrophobicContact CE1-CD2 3.88Å; F459-L731 HydrophobicContact CE1-CG 4.38Å; F459-L731 HydrophobicContact CZ-CD1 4.36Å; R460-L731 HydrophobicContact CG-CD2 4.4Å; L463-L731 HydrophobicContact CD2-CB 3.88Å; L463-L731 HydrophobicContact CD2-CD1 4.29Å; S727-L731 WeakPolarHBondContact O-CB 3.21Å; S727-L731 PolarHBondContact O-N 3.11Å; S727-L731 VanDerWaalsContact O-N 3.09Å; K728-L731 PolarHBondContact O-N 3.24Å; L731-N733 VanDerWaalsContact C-N 3.34Å; L731-N733 PolarHBondContact O-N 2.93Å; L731-I734 PolarHBondContact O-N 2.95Å; L731-A735 WeakPolarHBondContact O-CB 3.17Å; L731-A735 PolarHBondContact O-N 2.83Å
732M98.1Very high97.6Very high28 Ų2830.3 Ų30.314%0.13815%0.147CC..Hα-helixtrans-62.5-40.8178-172.460.3-173.100112.2K451 L454 V632 N636 K728 M729 V730 A735 A736K451-M732 HydrophobicContact CD-CE 4.39Å; K451-M732 HydrophobicContact CD-SD 4.14Å; K451-M732 HydrophobicContact CG-SD 4.07Å; L454-M732 HydrophobicContact CD2-CB 4.43Å; V632-M732 HydrophobicContact CG2-CB 4.45Å; V632-M732 HydrophobicContact CG2-CG 3.94Å; V632-M732 WeakPolarHBondContact O-CE 3.42Å; N636-M732 HydrophobicContact CB-CG 4.4Å; N636-M732 WeakPolarHBondContact ND2-CG 3.43Å; K728-M732 WeakPolarHBondContact O-CB 3.29Å; K728-M732 PolarHBondContact O-N 2.87Å; M729-M732 PolarHBondContact O-N 3.46Å; V730-M732 VanDerWaalsContact C-N 3.33Å; V730-M732 PolarHBondContact O-N 3.47Å; M732-A735 PolarHBondContact O-N 3.36Å; M732-A736 VanDerWaalsContact O-CB 3.3Å; M732-A736 WeakPolarHBondContact O-CB 3.47Å; M732-A736 PolarHBondContact O-N 3.24Å
733N98.3Very high97.6Very high0 Ų028.6 Ų28.60%014%0.138CC..Hα-helixtrans-60.2-46.6174.9-85.4-94.3000111.8M611 L616 V632 N636 M729 V730 L731 A736 A737M611-N733 WeakPolarHBondContact CE-O 3.45Å; M611-N733 HydrophobicContact CG-CB 4.22Å; M611-N733 WeakPolarHBondContact CG-O 3.26Å; L616-N733 VanDerWaalsContact CD2-ND2 3.27Å; L616-N733 WeakPolarHBondContact CD2-ND2 3.46Å; V632-N733 HydrophobicContact CG2-CB 4.22Å; N636-N733 PolarHBondContact O-ND2 3.27Å; M729-N733 PolarHBondContact O-N 2.96Å; M729-N733 PolarHBondContact O-ND2 3.18Å; V730-N733 PolarHBondContact O-N 3.43Å; L731-N733 VanDerWaalsContact C-N 3.34Å; L731-N733 PolarHBondContact O-N 2.93Å; N733-A736 PolarHBondContact O-N 2.7Å; N733-A737 PolarHBondContact O-N 3.27Å
734I98.3Very high97.7Very high2 Ų222.1 Ų22.11%0.0111%0.107CC..Hα-helixtrans-63.4-45.3177.6-63.5166000110.5L427 I431 L450 L463 V730 L731 A736 A737L427-I734 HydrophobicContact CD1-CD1 4.16Å; L427-I734 HydrophobicContact CD2-CD1 4.04Å; I431-I734 HydrophobicContact CD1-CG2 4.48Å; L450-I734 HydrophobicContact CD1-CG2 3.92Å; L463-I734 HydrophobicContact CD1-CD1 3.72Å; L463-I734 HydrophobicContact CD2-CD1 4.26Å; V730-I734 HydrophobicContact CG1-CD1 4.2Å; V730-I734 WeakPolarHBondContact O-CG1 3.14Å; V730-I734 PolarHBondContact O-N 3.1Å; V730-I734 VanDerWaalsContact O-N 3.16Å; L731-I734 PolarHBondContact O-N 2.95Å; I734-A736 VanDerWaalsContact C-N 3.3Å; I734-A736 PolarHBondContact O-N 2.77Å; I734-A737 WeakPolarHBondContact O-CB 3.46Å; I734-A737 PolarHBondContact O-N 2.85Å
735A97.5Very high97.7Very high0 Ų018.9 Ų18.90%09%0.088CC..Hα-helixtrans-64.4-35-177.400000112.6L447 N448 L450 K451 L731 M732L447-A735 CarbonylContact C-O 3.54Å; L447-A735 WeakPolarHBondContact O-CA 3.46Å; N448-A735 WeakPolarHBondContact CA-O 3.36Å; N448-A735 PolarHBondContact N-O 3.22Å; N448-A735 PolarHBondContact OD1-O 3.23Å; L450-A735 HydrophobicContact CB-CB 4Å; K451-A735 HydrophobicContact CG-CB 3.79Å; L731-A735 WeakPolarHBondContact O-CB 3.17Å; L731-A735 PolarHBondContact O-N 2.83Å; M732-A735 PolarHBondContact O-N 3.36Å
736A97.5Very high97.6Very high2 Ų217.5 Ų17.52%0.0179%0.09CC..Hα-helixtrans-82.8-6.1179.100000114.1M611 E631 V632 M732 N733 I734 G738M611-A736 VanDerWaalsContact CE-C 3.45Å; M611-A736 HydrophobicContact CE-CB 3.62Å; E631-A736 HydrophobicContact CB-CB 4.3Å; E631-A736 WeakPolarHBondContact O-CB 3.43Å; V632-A736 HydrophobicContact CB-CB 4.28Å; V632-A736 HydrophobicContact CG2-CB 4.35Å; M732-A736 VanDerWaalsContact O-CB 3.3Å; M732-A736 WeakPolarHBondContact O-CB 3.47Å; M732-A736 PolarHBondContact O-N 3.24Å; N733-A736 PolarHBondContact O-N 2.7Å; I734-A736 VanDerWaalsContact C-N 3.3Å; I734-A736 PolarHBondContact O-N 2.77Å; A736-G738 PolarHBondContact O-N 3.4Å; A736-G738 VanDerWaalsContact O-N 3.11Å
737A97.8Very high97.6Very high2 Ų223.3 Ų23.32%0.01711%0.112CC..G310 helixtrans-71.3-8.2-172.800000114.5M611 L612 N733 I734 K739 F740M611-A737 HydrophobicContact CE-CB 4.31Å; M611-A737 HydrophobicContact CG-CB 4.2Å; M611-A737 HydrophobicContact SD-CB 4.15Å; L612-A737 HydrophobicContact CB-CB 4.21Å; L612-A737 HydrophobicContact CD1-CB 3.76Å; N733-A737 PolarHBondContact O-N 3.27Å; I734-A737 WeakPolarHBondContact O-CB 3.46Å; I734-A737 PolarHBondContact O-N 2.85Å; A737-K739 VanDerWaalsContact C-N 3.34Å; A737-K739 PolarHBondContact O-N 3.31Å; A737-F740 PolarHBondContact O-N 2.95Å; A737-F740 VanDerWaalsContact O-N 3.07Å
738G96.8Very high97.5Very high2 Ų225.5 Ų25.52%0.02112%0.122CC..G310 helixtrans-56.8-37.5-171.100000115.6L444 A736 F740 S741L444-G738 VanDerWaalsContact O-CA 3.28Å; L444-G738 WeakPolarHBondContact O-CA 3.32Å; A736-G738 PolarHBondContact O-N 3.4Å; A736-G738 VanDerWaalsContact O-N 3.11Å; G738-F740 PolarHBondContact O-N 3.45Å; G738-S741 PolarHBondContact O-N 2.93Å
739K96.5Very high97.5Very high53 Ų5322.9 Ų22.923%0.2311%0.11CC..G310 helixtrans-60.7-28.4178.1179.4176.6-180-178.70113E627 E631 A737 S741 R744E627-K739 IonicContact OE1-NZ 2.88Å; E631-K739 VanDerWaalsContact CD-CD 3.41Å; E631-K739 HydrophobicContact CG-CB 4.36Å; E631-K739 HydrophobicContact CG-CD 3.68Å; E631-K739 WeakPolarHBondContact OE1-CD 3.23Å; E631-K739 IonicContact OE1-NZ 2.79Å; E631-K739 PolarHBondContact OE1-NZ 3.41Å; A737-K739 VanDerWaalsContact C-N 3.34Å; A737-K739 PolarHBondContact O-N 3.31Å; K739-S741 VanDerWaalsContact C-N 3.26Å; K739-S741 PolarHBondContact O-N 2.95Å; K739-R744 PolarHBondContact O-NE 2.46Å; K739-R744 PolarHBondContact O-NH2 3.38Å
740F97.9Very high97.4Very high3 Ų323.6 Ų23.61%0.01312%0.117CC..G310 helixtrans-89.617.6-173.4-53.8-68.9000113.3G413 I414 M608 M611 E627 I628 E631 A737 G738G413-F740 CarbonylContact C-O 3.49Å; G413-F740 WeakPolarHBondContact CA-O 3.37Å; I414-F740 WeakPolarHBondContact CG1-O 3.37Å; I414-F740 PolarHBondContact N-O 3.42Å; M608-F740 HydrophobicContact CB-CB 4.03Å; M608-F740 HydrophobicContact CB-CG 4.5Å; M608-F740 HydrophobicContact CE-CD1 3.84Å; M608-F740 HydrophobicContact CE-CE1 4.48Å; M608-F740 HydrophobicContact CG-CB 3.82Å; M608-F740 HydrophobicContact CG-CD1 3.93Å; M608-F740 HydrophobicContact CG-CG 3.93Å; M608-F740 HydrophobicContact SD-CB 3.94Å; M608-F740 HydrophobicContact SD-CD1 4.04Å; M608-F740 HydrophobicContact SD-CG 4.33Å; M611-F740 HydrophobicContact CE-CD2 4.33Å; M611-F740 HydrophobicContact CE-CE2 3.97Å; M611-F740 HydrophobicContact SD-CD2 3.65Å; M611-F740 HydrophobicContact SD-CE2 3.63Å; E627-F740 HydrophobicContact CB-CE1 4.03Å; E627-F740 HydrophobicContact CB-CZ 4.17Å; I628-F740 HydrophobicContact CB-CE2 4.45Å; I628-F740 HydrophobicContact CB-CZ 4.21Å; I628-F740 HydrophobicContact CG1-CD2 4.34Å; I628-F740 HydrophobicContact CG1-CE1 3.94Å; I628-F740 HydrophobicContact CG1-CE2 3.7Å; I628-F740 HydrophobicContact CG1-CZ 3.48Å; I628-F740 VanDerWaalsContact CG1-CZ 3.48Å; E631-F740 HydrophobicContact CB-CE2 4.29Å; E631-F740 HydrophobicContact CG-CE2 4.01Å; E631-F740 HydrophobicContact CG-CZ 3.94Å; A737-F740 PolarHBondContact O-N 2.95Å; A737-F740 VanDerWaalsContact O-N 3.07Å; G738-F740 PolarHBondContact O-N 3.45Å
741S98Very high97.3Very high4 Ų430.8 Ų30.83%0.02814%0.144CC..BIsolated β-bridgetrans-70.9132.3169-179.30000111.3I414 G738 K739 D743 R744 T745I414-S741 WeakPolarHBondContact O-CA 3.44Å; G738-S741 PolarHBondContact O-N 2.93Å; K739-S741 VanDerWaalsContact C-N 3.26Å; K739-S741 PolarHBondContact O-N 2.95Å; S741-D743 PolarHBondContact O-N 3.23Å; S741-D743 VanDerWaalsContact O-N 3.16Å; S741-D743 PolarHBondContact OG-N 3.12Å; S741-R744 WeakPolarHBondContact O-CB 3.36Å; S741-R744 PolarHBondContact O-N 3.48Å; S741-R744 VanDerWaalsContact O-N 3.09Å; S741-T745 PolarHBondContact O-N 3.17Å
742S97.2Very high97.2Very high23 Ų2333.4 Ų33.416%0.16116%0.158CC..Hα-helixtrans-60.3-22.5171.260.30000112.5I414 S415 R417 R744 T745 V746I414-S742 PolarHBondContact O-N 3.4Å; I414-S742 PolarHBondContact O-OG 2.97Å; S415-S742 WeakPolarHBondContact CA-OG 3.42Å; S415-S742 PolarHBondContact N-OG 2.9Å; R417-S742 PolarHBondContact NH2-OG 3.42Å; S742-R744 VanDerWaalsContact C-N 3.31Å; S742-R744 PolarHBondContact O-N 3.25Å; S742-T745 PolarHBondContact O-N 2.99Å; S742-V746 WeakPolarHBondContact O-CB 3.38Å; S742-V746 VanDerWaalsContact O-CG2 3.29Å; S742-V746 WeakPolarHBondContact O-CG2 3.32Å; S742-V746 PolarHBondContact O-N 2.99Å
743D96.3Very high97.1Very high39 Ų3932.1 Ų32.121%0.20915%0.151CC..Hα-helixtrans-68-34.4177.1-58.6-9.2000111.6R417 S741 R747R417-D743 IonicContact CZ-OD1 2.83Å; R417-D743 VanDerWaalsContact CZ-OD1 3.24Å; R417-D743 IonicContact CZ-OD2 3.43Å; R417-D743 IonicContact NH1-OD1 2.79Å; R417-D743 PolarHBondContact NH1-OD1 2.83Å; R417-D743 IonicContact NH1-OD2 2.73Å; R417-D743 PolarHBondContact NH1-OD2 2.96Å; R417-D743 IonicContact NH2-OD1 3.31Å; R417-D743 PolarHBondContact NH2-OD1 3.37Å; R417-D743 IonicContact NH2-OD2 3.73Å; S741-D743 PolarHBondContact O-N 3.23Å; S741-D743 VanDerWaalsContact O-N 3.16Å; S741-D743 PolarHBondContact OG-N 3.12Å; D743-R747 WeakPolarHBondContact O-CB 3.25Å; D743-R747 PolarHBondContact O-N 3.38Å
744R97.1Very high97Very high23 Ų2333.1 Ų33.19%0.08716%0.155CC..Hα-helixtrans-66-50.7173.7-179.4-82.7-55.31533.8109.1T411 N412 K739 S741 S742 V746 R747 E748T411-R744 PolarHBondContact O-NH1 3.05Å; T411-R744 PolarHBondContact O-NH2 3.14Å; N412-R744 PolarHBondContact O-NH2 3.43Å; N412-R744 VanDerWaalsContact O-NH2 3.08Å; K739-R744 PolarHBondContact O-NE 2.46Å; K739-R744 PolarHBondContact O-NH2 3.38Å; S741-R744 WeakPolarHBondContact O-CB 3.36Å; S741-R744 PolarHBondContact O-N 3.48Å; S741-R744 VanDerWaalsContact O-N 3.09Å; S742-R744 VanDerWaalsContact C-N 3.31Å; S742-R744 PolarHBondContact O-N 3.25Å; R744-V746 PolarHBondContact O-N 3.35Å; R744-R747 PolarHBondContact O-N 2.99Å; R744-E748 WeakPolarHBondContact CD-OE1 3.42Å; R744-E748 VanDerWaalsContact CD-OE2 3.31Å; R744-E748 WeakPolarHBondContact CD-OE2 3.45Å; R744-E748 IonicContact CZ-OE2 3.27Å; R744-E748 IonicContact NE-OE2 2.9Å; R744-E748 IonicContact NH1-OE2 3.38Å; R744-E748 PolarHBondContact NH1-OE2 2.83Å; R744-E748 WeakPolarHBondContact O-CG 3.43Å; R744-E748 PolarHBondContact O-N 3.23Å
745T97.5Very high96.9Very high9 Ų941.4 Ų41.46%0.05519%0.186CC..Hα-helixtrans-54-54.9176.7-53.20000111.7T411 G413 S741 S742 R747 E748 Y749T411-T745 WeakPolarHBondContact O-CG2 3.3Å; T411-T745 PolarHBondContact O-OG1 2.91Å; G413-T745 PolarHBondContact N-OG1 3.35Å; S741-T745 PolarHBondContact O-N 3.17Å; S742-T745 PolarHBondContact O-N 2.99Å; T745-R747 VanDerWaalsContact C-N 3.33Å; T745-R747 PolarHBondContact O-N 3.03Å; T745-E748 WeakPolarHBondContact O-CB 3.27Å; T745-E748 PolarHBondContact O-N 3.06Å; T745-E748 VanDerWaalsContact O-N 3.15Å; T745-Y749 HydrophobicContact CG2-CD2 3.8Å; T745-Y749 HydrophobicContact CG2-CE2 3.52Å; T745-Y749 VanDerWaalsContact O-CD2 3.25Å; T745-Y749 WeakPolarHBondContact O-CD2 3.43Å; T745-Y749 PolarHBondContact O-N 3.24Å
746V96.8Very high96.7Very high76 Ų7642.6 Ų42.646%0.46119%0.193SC..Hα-helixtrans-65.2-34.8-177.6175.50000112S742 R744 E748 Y749 A750 W754S742-V746 WeakPolarHBondContact O-CB 3.38Å; S742-V746 VanDerWaalsContact O-CG2 3.29Å; S742-V746 WeakPolarHBondContact O-CG2 3.32Å; S742-V746 PolarHBondContact O-N 2.99Å; R744-V746 PolarHBondContact O-N 3.35Å; V746-E748 VanDerWaalsContact C-N 3.35Å; V746-Y749 PolarHBondContact O-N 2.94Å; V746-A750 WeakPolarHBondContact O-CB 2.98Å; V746-A750 PolarHBondContact O-N 2.77Å; V746-W754 HydrophobicContact CG1-CZ3 4.2Å
747R96.3Very high96.4Very high136 Ų13650.3 Ų50.351%0.51323%0.229SC..Hα-helixtrans-64.2-39.8173.8-170.8-175.4-56111.22.5112D743 R744 T745 A750 R751D743-R747 WeakPolarHBondContact O-CB 3.25Å; D743-R747 PolarHBondContact O-N 3.38Å; R744-R747 PolarHBondContact O-N 2.99Å; T745-R747 VanDerWaalsContact C-N 3.33Å; T745-R747 PolarHBondContact O-N 3.03Å; R747-A750 PolarHBondContact O-N 2.87Å; R747-R751 WeakPolarHBondContact O-CB 3.35Å; R747-R751 PolarHBondContact O-N 3.18Å
748E97Very high95.9Very high50 Ų5055.6 Ų55.623%0.23426%0.263CS..Hα-helixtrans-66.7-41.5174.4-68.9170.1167.400111.6K410 R744 T745 V746 D752K410-E748 HydrophobicContact CD-CB 3.62Å; K410-E748 VanDerWaalsContact CE-C 3.4Å; K410-E748 VanDerWaalsContact CE-O 3.24Å; K410-E748 WeakPolarHBondContact CE-O 3.43Å; R744-E748 WeakPolarHBondContact CD-OE1 3.42Å; R744-E748 VanDerWaalsContact CD-OE2 3.31Å; R744-E748 WeakPolarHBondContact CD-OE2 3.45Å; R744-E748 IonicContact CZ-OE2 3.27Å; R744-E748 IonicContact NE-OE2 2.9Å; R744-E748 IonicContact NH1-OE2 3.38Å; R744-E748 PolarHBondContact NH1-OE2 2.83Å; R744-E748 WeakPolarHBondContact O-CG 3.43Å; R744-E748 PolarHBondContact O-N 3.23Å; T745-E748 WeakPolarHBondContact O-CB 3.27Å; T745-E748 PolarHBondContact O-N 3.06Å; T745-E748 VanDerWaalsContact O-N 3.15Å; V746-E748 VanDerWaalsContact C-N 3.35Å; E748-D752 VanDerWaalsContact O-CB 3.26Å; E748-D752 WeakPolarHBondContact O-CB 3.48Å; E748-D752 PolarHBondContact O-N 3.12Å
749Y97.8Very high95.5Very high18 Ų1857.9 Ų57.97%0.07127%0.274CS..Iπ-helixtrans-59.2-48.4171.9-84.4-82.6000111.7H264 T303 N381 K410 T745 V746 R751 I753 W754H264-Y749 AromaticContact CE1-CD1 3.98Å; H264-Y749 AromaticContact CE1-CE1 3.55Å; H264-Y749 AromaticContact NE2-CE1 3.69Å; T303-Y749 PolarHBondContact OG1-OH 2.99Å; T303-Y749 VanDerWaalsContact OG1-OH 3.11Å; N381-Y749 PolarHBondContact ND2-OH 3.27Å; N381-Y749 WeakPolarHBondContact OD1-CE1 3.41Å; K410-Y749 HydrophobicContact CB-CD2 4.08Å; K410-Y749 HydrophobicContact CB-CE1 4.09Å; K410-Y749 HydrophobicContact CB-CE2 3.4Å; K410-Y749 VanDerWaalsContact CB-CZ 3.41Å; K410-Y749 HydrophobicContact CD-CD2 4.15Å; K410-Y749 HydrophobicContact CD-CE2 4.33Å; K410-Y749 HydrophobicContact CD-CG 4.26Å; K410-Y749 HydrophobicContact CG-CD1 4.08Å; K410-Y749 HydrophobicContact CG-CD2 4.04Å; K410-Y749 HydrophobicContact CG-CE1 3.81Å; K410-Y749 HydrophobicContact CG-CE2 3.78Å; K410-Y749 HydrophobicContact CG-CG 4.18Å; T745-Y749 HydrophobicContact CG2-CD2 3.8Å; T745-Y749 HydrophobicContact CG2-CE2 3.52Å; T745-Y749 VanDerWaalsContact O-CD2 3.25Å; T745-Y749 WeakPolarHBondContact O-CD2 3.43Å; T745-Y749 PolarHBondContact O-N 3.24Å; V746-Y749 PolarHBondContact O-N 2.94Å; Y749-R751 PolarHBondContact O-N 2.94Å; Y749-I753 HydrophobicContact CD1-CB 4.49Å; Y749-I753 HydrophobicContact CD1-CD1 3.65Å; Y749-I753 HydrophobicContact CE1-CD1 3.86Å; Y749-I753 WeakPolarHBondContact O-CA 3.29Å; Y749-I753 WeakPolarHBondContact O-CB 3.39Å; Y749-I753 PolarHBondContact O-N 2.85Å; Y749-W754 AromaticContact CD1-CZ2 3.88Å; Y749-W754 HydrophobicContact CD1-CZ2 3.88Å; Y749-W754 HydrophobicContact CG-CH2 4.19Å; Y749-W754 AromaticContact CG-CZ2 3.95Å; Y749-W754 HydrophobicContact CG-CZ2 3.95Å; Y749-W754 PolarHBondContact O-N 2.73Å
750A97.1Very high94.9Very high19 Ų1960.9 Ų60.916%0.15730%0.297CS..Iπ-helixtrans-59.5-45-179.500000112.2V746 R747 W754 R755 V756V746-A750 WeakPolarHBondContact O-CB 2.98Å; V746-A750 PolarHBondContact O-N 2.77Å; R747-A750 PolarHBondContact O-N 2.87Å; A750-W754 HydrophobicContact CB-CE3 4.24Å; A750-R755 CarbonylContact O-C 3.52Å; A750-R755 WeakPolarHBondContact O-CA 3.43Å; A750-R755 PolarHBondContact O-N 2.99Å; A750-V756 HydrophobicContact CB-CG2 3.81Å; A750-V756 PolarHBondContact O-N 3.2Å
751R96.4Very high94.1Very high155 Ų15561.4 Ų61.459%0.58530%0.3SS*.Iπ-helixtrans-73.4-53-179.7-174.4-171.666-156.7-9.1112.8R747 Y749R747-R751 WeakPolarHBondContact O-CB 3.35Å; R747-R751 PolarHBondContact O-N 3.18Å; Y749-R751 PolarHBondContact O-N 2.94Å
752D95.6Very high92.9Very high57 Ų5769.9 Ų69.931%0.30534%0.337SS..Iπ-helixtrans-89-30.6-165-55.8-27000112.9K410 E748K410-D752 IonicContact NZ-OD2 3.44Å; K410-D752 PolarHBondContact NZ-OD2 3.17Å; E748-D752 VanDerWaalsContact O-CB 3.26Å; E748-D752 WeakPolarHBondContact O-CB 3.48Å; E748-D752 PolarHBondContact O-N 3.12Å
753I95.6Very high91.3Very high1 Ų175.4 Ų75.41%0.00536%0.36CS..Iπ-helixtrans-111.3-61.9-170-64.3177.4000110.6T301 F379 N381 K410 Y749T301-I753 HydrophobicContact CG2-CG2 3.6Å; F379-I753 HydrophobicContact CB-CG1 4.47Å; F379-I753 HydrophobicContact CB-CG2 3.94Å; F379-I753 HydrophobicContact CD2-CB 4.37Å; F379-I753 HydrophobicContact CD2-CG2 4.01Å; F379-I753 HydrophobicContact CG-CG1 4.39Å; F379-I753 HydrophobicContact CG-CG2 4.21Å; N381-I753 HydrophobicContact CB-CD1 4.19Å; K410-I753 HydrophobicContact CD-CD1 4.25Å; K410-I753 HydrophobicContact CG-CD1 3.71Å; Y749-I753 HydrophobicContact CD1-CB 4.49Å; Y749-I753 HydrophobicContact CD1-CD1 3.65Å; Y749-I753 HydrophobicContact CE1-CD1 3.86Å; Y749-I753 WeakPolarHBondContact O-CA 3.29Å; Y749-I753 WeakPolarHBondContact O-CB 3.39Å; Y749-I753 PolarHBondContact O-N 2.85Å
754W96.6Very high89.3Confident22 Ų2276.2 Ų76.28%0.08337%0.369CS..Iπ-helixtrans-77.3-26.4-173.5-53.8-30.2000113K74 V76 F78 V262 H264 V746 Y749 A750 V756K74-W754 PolarHBondContact NZ-O 3.01Å; K74-W754 VanDerWaalsContact NZ-O 3.09Å; V76-W754 HydrophobicContact CB-CE3 4.41Å; V76-W754 HydrophobicContact CG1-CD2 3.73Å; V76-W754 HydrophobicContact CG1-CE3 3.86Å; V76-W754 HydrophobicContact CG1-CG 4.28Å; V76-W754 HydrophobicContact CG1-CH2 4.16Å; V76-W754 HydrophobicContact CG1-CZ2 4.04Å; V76-W754 HydrophobicContact CG1-CZ3 4.08Å; V76-W754 HydrophobicContact CG2-CB 4.07Å; V76-W754 HydrophobicContact CG2-CD2 3.97Å; V76-W754 HydrophobicContact CG2-CE3 3.82Å; V76-W754 HydrophobicContact CG2-CG 4.11Å; F78-W754 HydrophobicContact CD2-CZ2 4.45Å; V262-W754 HydrophobicContact CG1-CB 4.37Å; V262-W754 HydrophobicContact CG1-CG 4.13Å; H264-W754 HydrophobicContact CB-CZ2 4.46Å; H264-W754 AromaticContact CG-NE1 3.62Å; H264-W754 AromaticContact ND1-NE1 3.21Å; H264-W754 PolarHBondContact ND1-NE1 3.13Å; V746-W754 HydrophobicContact CG1-CZ3 4.2Å; Y749-W754 AromaticContact CD1-CZ2 3.88Å; Y749-W754 HydrophobicContact CD1-CZ2 3.88Å; Y749-W754 HydrophobicContact CG-CH2 4.19Å; Y749-W754 AromaticContact CG-CZ2 3.95Å; Y749-W754 HydrophobicContact CG-CZ2 3.95Å; Y749-W754 PolarHBondContact O-N 2.73Å; A750-W754 HydrophobicContact CB-CE3 4.24Å; W754-V756 HydrophobicContact CB-CG1 4.11Å; W754-V756 HydrophobicContact CB-CG2 4.07Å; W754-V756 HydrophobicContact CE3-CG2 4.33Å
755R94.8Very high86.5Confident176 Ų17681.9 Ų81.966%0.66440%0.399SS*.  trans55.357.3-175.2-56.5179.5-178.6-178.3-0.2111.3A750A750-R755 CarbonylContact O-C 3.52Å; A750-R755 WeakPolarHBondContact O-CA 3.43Å; A750-R755 PolarHBondContact O-N 2.99Å
756V94.8Very high83.6Confident24 Ų2488.2 Ų88.215%0.14543%0.426CS..  trans-124.3145.4-179.7-59.80000111K74 V76 A750 W754K74-V756 HydrophobicContact CB-CG1 3.97Å; K74-V756 HydrophobicContact CD-CG1 3.91Å; K74-V756 HydrophobicContact CG-CG1 3.88Å; V76-V756 HydrophobicContact CG2-CG1 3.93Å; V76-V756 HydrophobicContact CG2-CG2 3.95Å; A750-V756 HydrophobicContact CB-CG2 3.81Å; A750-V756 PolarHBondContact O-N 3.2Å; W754-V756 HydrophobicContact CB-CG1 4.11Å; W754-V756 HydrophobicContact CB-CG2 4.07Å; W754-V756 HydrophobicContact CE3-CG2 4.33Å
757E90Very high80.3Confident165 Ų16593.7 Ų93.777%0.77144%0.44SS*.PPolyproline II helixtrans-103.4148176.3-68.6-60.6149.600111
758P87.3Confident77Confident113 Ų11393.7 Ų93.773%0.73445%0.45SS*.PPolyproline II helixtrans-71135.6179.729-33.3000111.9
759I88.5Confident74Confident49 Ų4999.4 Ų99.425%0.25148%0.481SS..PPolyproline II helixtrans-97.7131.6169.7-71.5-174.3000110.9L67 Y68 E71 P73L67-I759 HydrophobicContact CD2-CG2 3.4Å; L67-I759 HydrophobicContact CG-CG2 4.09Å; Y68-I759 HydrophobicContact CE1-CB 4.43Å; Y68-I759 HydrophobicContact CE1-CG2 4.36Å; E71-I759 HydrophobicContact CB-CD1 4.06Å; P73-I759 HydrophobicContact CB-CD1 3.45Å; P73-I759 VanDerWaalsContact CB-CD1 3.45Å; P73-I759 HydrophobicContact CB-CG1 4.47Å; P73-I759 HydrophobicContact CG-CD1 3.6Å
760V83.9Confident70.8Confident116 Ų116106.4 Ų106.470%0.70351%0.514SS*.  trans-101111.4178.4-176.40000110.2K762V760-K762 PolarHBondContact O-N 2.89Å
761V81.2Confident67.7Low14 Ų14113 Ų1139%0.08555%0.547CS..  trans-71.7113.1168.4-175.80000108.3T64 L67 Q170T64-V761 HydrophobicContact CG2-CG2 4.4Å; L67-V761 HydrophobicContact CD2-CB 4.18Å; L67-V761 HydrophobicContact CD2-CG2 3.63Å; Q170-V761 HydrophobicContact CB-CB 3.86Å; Q170-V761 HydrophobicContact CB-CG1 3.65Å
762K73.9Confident64.6Low183 Ų183113.2 Ų113.280%0.79656%0.56SS**PPolyproline II helixtrans-71.4149.6179.1-67.4-178.8-178.6174.10111.3V760V760-K762 PolarHBondContact O-N 2.89Å
763E62.7Low61.5Low139 Ų139119.9 Ų119.965%0.6559%0.589SS**PPolyproline II helixtrans-69.3134.4168.2-68.4-168158.400109.9Q170 I765Q170-E763 HydrophobicContact CG-CG 3.64Å; Q170-E763 PolarHBondContact NE2-OE1 3.28Å; E763-I765 PolarHBondContact O-N 3.18Å
764S55.1Low58.4Low56 Ų56128.2 Ų128.239%0.39263%0.633SS.*PPolyproline II helixtrans-66124.9167.543.80000108.4K63 K766K63-S764 PolarHBondContact NZ-OG 3.17Å; S764-K766 PolarHBondContact O-N 3.04Å; S764-K766 VanDerWaalsContact O-N 3.17Å
765I37.9Very low55.3Low142 Ų142136 Ų13673%0.72867%0.67SS**PPolyproline II helixtrans-55.2118.6177-60.7169.1000107.9E763 Y767E763-I765 PolarHBondContact O-N 3.18Å; I765-Y767 PolarHBondContact O-N 3.02Å
766K36.3Very low52.4Low142 Ų142136.7 Ų136.762%0.61768%0.678SS**  trans-58.8108.3168.1-83.6178.6175.5173.20107.8S764 N768S764-K766 PolarHBondContact O-N 3.04Å; S764-K766 VanDerWaalsContact O-N 3.17Å; K766-N768 PolarHBondContact O-N 3.31Å; K766-N768 VanDerWaalsContact O-N 3.13Å
767Y27.6Very low49.4Very low191 Ų191146.2 Ų146.275%0.74972%0.718SS**  trans-69.2105.8158.9-97.6-87.9000106.9I765 L769I765-Y767 PolarHBondContact O-N 3.02Å; Y767-L769 PolarHBondContact O-N 2.82Å
768N28.1Very low46.8Very low136 Ų136143.7 Ų143.773%0.72772%0.719SS**  trans-58.9108.2165.8-83.8-13.6000107.6K766 E770K766-N768 PolarHBondContact O-N 3.31Å; K766-N768 VanDerWaalsContact O-N 3.13Å; N768-E770 PolarHBondContact O-N 3.31Å
769L32.2Very low44.2Very low170 Ų170143.3 Ų143.389%0.8972%0.718SS**  trans-74.410.9173.6-88.8158.5000113.1Y767Y767-L769 PolarHBondContact O-N 2.82Å
770E32.3Very low41.7Very low164 Ų164152.6 Ų152.677%0.76677%0.769SS**SBendtrans-109.990.4173.2-67.3178.2173.700108N768N768-E770 PolarHBondContact O-N 3.31Å
771N30.6Very low39.6Very low159 Ų159154.5 Ų154.585%0.8577%0.772SS**SBendtrans170.32.2150-89.2-26.6000116.5
772N30.8Very low37.4Very low158 Ų158161.8 Ų161.885%0.84581%0.808SS**SBendtrans-140.166.5-179.2-82.5-33.8000112.8
773Q30.8Very low35.4Very low197 Ų197160.7 Ų160.792%0.92181%0.809SS**SBendtrans-176.549161-107.117139.200113.9
774L31.1Very low33.8Very low176 Ų176161.9 Ų161.992%0.92182%0.818SS**SBendtrans-14362.4169.6-82.5169.1000109.7
775Q31.4Very low32.5Very low187 Ų187168.6 Ų168.687%0.87485%0.845SS**SBendtrans-160.614.3171.1-118.117624.400116.3
776K34.4Very low32.1Very low190 Ų190170.3 Ų170.383%0.82685%0.853SS**SBendtrans-141.348-178.2-76.5-169.8175.5-179.60113.8
777F32.6Very low31.8Very low223 Ų223172.4 Ų172.498%0.97887%0.87SS**SBendtrans-153.365.4163.8-79.8-71.9000109.4
778S33.5Very low32.1Very low113 Ų113170.9 Ų170.979%0.7988%0.879SS**SBendtrans-157.560170.761.40000109.1
779S32.5Very low32.5Very low104 Ų104173.8 Ų173.873%0.72789%0.892SS**  trans-175.582.3170.153.60000108.7
780N37.7Very low32.5Very low245 Ų245174.2 Ų174.2100%1.3189%0.892SS**  trans160.50149.9-85.5-7.6000109.6

Retrieved 780 of 780 residues in 258 ms (Link to these results)

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