A0A5K4F7M1_SCHMA Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB (A0A5K4F6A7), UniProt , Accession A0A5K4F7M1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,146 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
1M36.5Very low32.5Very low243 Ų243160.6 Ų160.6100%1.19785%0.85SS**  058.70-72.9176.8159.600111
2R30.4Very low32.6Very low235 Ų235160.9 Ų160.989%0.88785%0.851SS**  trans-127.2-7.9173.4-91.8-175.5171.2177.3-4114.5
3D33.4Very low32.5Very low158 Ų158159 Ų15985%0.84585%0.85SS**SBendtrans-103.224.1-171.2-47-66.4000114.4
4A34.4Very low32.1Very low87 Ų87158.2 Ų158.272%0.71985%0.854SS**SBendtrans-99.5-15.9-176.300000115
5N35.8Very low32Very low163 Ų163152.9 Ų152.987%0.87285%0.851SS**SBendtrans-104.715.8-168.2-757.5000115.1
6A32.4Very low31.7Very low81 Ų81152 Ų15267%0.66986%0.858SS**SBendtrans-91.2-15-175.900000115.2
7N29.5Very low31.5Very low150 Ų150147.2 Ų147.280%0.80285%0.85SS**THydrogen-bonded Turntrans-986-162.7-96.66.7000117.3
8E34.5Very low31.6Very low197 Ų197142.6 Ų142.692%0.92184%0.84SS**THydrogen-bonded Turntrans-92.13177.6-78.8-166.3138.400115
9R32.1Very low32.2Very low232 Ų232139.8 Ų139.888%0.87584%0.835SS**SBendtrans-93.16.4-174.2-77.4-173.5169.4-175.8-3.8116.4
10T29.1Very low33.1Very low122 Ų122138.9 Ų138.975%0.74883%0.825SS**  trans-139.679-174.337.50000113.7
11A29Very low34.6Very low99 Ų99136.1 Ų136.182%0.81881%0.813SS**  trans-163.266163.300000112.5
12L34.4Very low36.4Very low164 Ų164125.9 Ų125.986%0.85976%0.762SS**SBendtrans-139.718.2-179-108.2170.3000116.1
13T30.8Very low38.7Very low136 Ų136122.3 Ų122.383%0.83476%0.756SS**SBendtrans-147.853.3179.255.80000114.9
14T27.5Very low41.1Very low148 Ų148115.1 Ų115.191%0.90872%0.717SS**  trans-147.5109.116449.10000111.2
15G30.3Very low43.6Very low79 Ų79113.1 Ų113.181%0.81470%0.698SS**  trans170.367.5-178.400000112.8G17G15-G17 PolarHBondContact O-N 2.93Å; G15-G17 VanDerWaalsContact O-N 3.16Å
16S28Very low45.9Very low138 Ų138107.1 Ų107.197%0.96567%0.668SS**  trans-79.393.5179.756.40000111.9
17G27.8Very low48.3Very low70 Ų70110.9 Ų110.972%0.72267%0.669SS**SBendtrans-173.2110.8170.100000112.3G15G15-G17 PolarHBondContact O-N 2.93Å; G15-G17 VanDerWaalsContact O-N 3.16Å
18G33.7Very low51.1Low65 Ų65106.6 Ų106.667%0.6764%0.644SS**  trans7346.9172.800000116.2D20G18-D20 VanDerWaalsContact C-N 3.32Å; G18-D20 PolarHBondContact O-N 3.34Å
19A41.8Very low53.6Low89 Ų8997.2 Ų97.274%0.73660%0.6SS**THydrogen-bonded Turntrans-63.4-14.4-161.600000118.7K59A19-K59 PolarHBondContact O-NZ 3.5Å
20D51.6Low56.1Low121 Ų12188.9 Ų88.965%0.64757%0.571SS**THydrogen-bonded Turntrans-112.5-0.2-162-110-33.7000117.1G18 K73G18-D20 VanDerWaalsContact C-N 3.32Å; G18-D20 PolarHBondContact O-N 3.34Å; D20-K73 IonicContact OD1-NZ 2.63Å; D20-K73 PolarHBondContact OD1-NZ 2.89Å
21S63.6Low58.8Low82 Ų8289.2 Ų89.257%0.57356%0.563SS**SBendtrans-104.2144.9175.349.90000112.6
22F74.5Confident61.5Low27 Ų2784.5 Ų84.512%0.11852%0.524CS..  trans-74.8136.1164.9-62.2-85.1000109.7I24 K59 D70 K73 R74 T77 F78F22-I24 PolarHBondContact O-N 3.21Å; F22-K59 HydrophobicContact CE1-CD 4.45Å; F22-D70 VanDerWaalsContact CZ-OD2 3.28Å; F22-D70 WeakPolarHBondContact CZ-OD2 3.5Å; F22-K73 HydrophobicContact CE2-CB 4.33Å; F22-R74 HydrophobicContact CE1-CG 4.27Å; F22-R74 HydrophobicContact CE2-CG 4.29Å; F22-R74 HydrophobicContact CZ-CG 3.59Å; F22-T77 HydrophobicContact CD2-CG2 3.91Å; F22-F78 HydrophobicContact CB-CE2 4.33Å; F22-F78 HydrophobicContact CB-CZ 3.85Å; F22-F78 AromaticContact CD1-CE2 3.95Å; F22-F78 HydrophobicContact CD1-CE2 3.95Å; F22-F78 HydrophobicContact CD1-CZ 4.13Å; F22-F78 AromaticContact CD2-CE2 3.74Å; F22-F78 HydrophobicContact CD2-CE2 3.74Å; F22-F78 HydrophobicContact CD2-CZ 4.11Å; F22-F78 HydrophobicContact CE1-CE2 4.17Å; F22-F78 AromaticContact CE2-CE2 3.97Å; F22-F78 HydrophobicContact CE2-CE2 3.97Å; F22-F78 AromaticContact CG-CE2 3.73Å; F22-F78 HydrophobicContact CG-CE2 3.73Å; F22-F78 AromaticContact CG-CZ 3.76Å; F22-F78 HydrophobicContact CG-CZ 3.76Å; F22-F78 HydrophobicContact CZ-CE2 4.18Å
23E79.6Confident64Low161 Ų16176.7 Ų76.775%0.75248%0.483SS*.SBendtrans-76.2-3.1-178.3-66.4176.5-172.200113.7L57E23-L57 HydrophobicContact CB-CD2 3.89Å; E23-L57 VanDerWaalsContact OE2-CD2 3.29Å; E23-L57 WeakPolarHBondContact OE2-CD2 3.39Å
24I83.1Confident66.5Low6 Ų674.4 Ų74.43%0.03147%0.465CS..SBendtrans-126.8134.3-174.9-169.6167.4000111.2F22 E28 L29 Y48 L54 L57 L58 F78F22-I24 PolarHBondContact O-N 3.21Å; I24-E28 HydrophobicContact CG1-CB 4.45Å; I24-L29 HydrophobicContact CD1-CD2 3.66Å; I24-L29 HydrophobicContact CD1-CG 3.88Å; I24-L29 HydrophobicContact CG1-CD1 4.45Å; I24-L29 HydrophobicContact CG1-CD2 4.41Å; I24-L29 HydrophobicContact CG1-CG 4.09Å; I24-L29 HydrophobicContact CG2-CD1 4.48Å; I24-Y48 HydrophobicContact CD1-CD1 4.09Å; I24-Y48 HydrophobicContact CD1-CE1 3.48Å; I24-Y48 VanDerWaalsContact CD1-CE1 3.48Å; I24-Y48 HydrophobicContact CG1-CE1 4.27Å; I24-L54 HydrophobicContact CD1-CD1 3.87Å; I24-L57 HydrophobicContact CG2-CB 4.43Å; I24-L58 HydrophobicContact CG2-CD2 3.75Å; I24-F78 HydrophobicContact CG2-CE1 4.41Å; I24-F78 HydrophobicContact CG2-CZ 4.32Å; I24-F78 WeakPolarHBondContact O-CE1 3.42Å
25S85.8Confident69.1Low46 Ų4668.1 Ų68.132%0.32243%0.427SS..  trans-95154.4-177.772.90000113.4K27 E28 L29S25-K27 PolarHBondContact O-N 2.94Å; S25-E28 WeakPolarHBondContact CB-OE2 3.38Å; S25-E28 PolarHBondContact N-OE2 3.34Å; S25-E28 PolarHBondContact O-N 3.49Å; S25-E28 VanDerWaalsContact OG-CG 3.27Å; S25-E28 WeakPolarHBondContact OG-CG 3.34Å; S25-E28 PolarHBondContact OG-OE2 3.35Å; S25-L29 PolarHBondContact O-N 2.88Å
26P84.2Confident71.5Confident37 Ų3768.3 Ų68.324%0.2440%0.403CS..Hα-helixtrans-58.2-35.1178.8-23.432.3000113.5E28 L29 Q30 T77 F78P26-E28 VanDerWaalsContact C-N 3.27Å; P26-E28 PolarHBondContact O-N 3.04Å; P26-L29 PolarHBondContact O-N 2.97Å; P26-Q30 WeakPolarHBondContact O-CB 3.43Å; P26-Q30 PolarHBondContact O-N 3.33Å; P26-T77 WeakPolarHBondContact CG-O 3.38Å; P26-F78 HydrophobicContact CB-CD1 4.45Å; P26-F78 HydrophobicContact CG-CD1 3.91Å
27K84.4Confident74Confident160 Ų16067.7 Ų67.770%0.69638%0.383SS*.Hα-helixtrans-67.2-26.1178.6-71.1-176.9176.9178.60113.2S25 K31S25-K27 PolarHBondContact O-N 2.94Å; K27-K31 WeakPolarHBondContact O-CG 3.16Å; K27-K31 PolarHBondContact O-N 3.34Å; K27-K31 VanDerWaalsContact O-N 3.12Å
28E87.2Confident76.7Confident59 Ų5969.9 Ų69.928%0.27638%0.378SS..Hα-helixtrans-83.1-35.4178.6-69.7172.3105.600112.1I24 S25 P26 K31 L32 K47 Y48I24-E28 HydrophobicContact CG1-CB 4.45Å; S25-E28 WeakPolarHBondContact CB-OE2 3.38Å; S25-E28 PolarHBondContact N-OE2 3.34Å; S25-E28 PolarHBondContact O-N 3.49Å; S25-E28 VanDerWaalsContact OG-CG 3.27Å; S25-E28 WeakPolarHBondContact OG-CG 3.34Å; S25-E28 PolarHBondContact OG-OE2 3.35Å; P26-E28 VanDerWaalsContact C-N 3.27Å; P26-E28 PolarHBondContact O-N 3.04Å; E28-K31 PolarHBondContact O-N 3.01Å; E28-L32 PolarHBondContact O-N 3.27Å; E28-K47 IonicContact OE1-NZ 2.7Å; E28-K47 PolarHBondContact OE1-NZ 2.84Å; E28-Y48 PolarHBondContact O-OH 3.02Å
29L87.2Confident79.1Confident1 Ų172.8 Ų72.81%0.00537%0.374CS..Hα-helixtrans-64.2-42.5168.2-69162.2000110.5I24 S25 P26 K31 L32 M33 L54 L58 F78 V197 T261I24-L29 HydrophobicContact CD1-CD2 3.66Å; I24-L29 HydrophobicContact CD1-CG 3.88Å; I24-L29 HydrophobicContact CG1-CD1 4.45Å; I24-L29 HydrophobicContact CG1-CD2 4.41Å; I24-L29 HydrophobicContact CG1-CG 4.09Å; I24-L29 HydrophobicContact CG2-CD1 4.48Å; S25-L29 PolarHBondContact O-N 2.88Å; P26-L29 PolarHBondContact O-N 2.97Å; L29-K31 PolarHBondContact O-N 3.45Å; L29-L32 WeakPolarHBondContact O-CB 3.46Å; L29-L32 PolarHBondContact O-N 3.33Å; L29-M33 WeakPolarHBondContact O-CG 2.98Å; L29-M33 PolarHBondContact O-N 3.05Å; L29-M33 VanDerWaalsContact O-N 3.09Å; L29-L54 HydrophobicContact CD2-CD1 4.05Å; L29-L58 HydrophobicContact CD1-CD2 4.17Å; L29-L58 HydrophobicContact CD2-CD2 4.49Å; L29-F78 HydrophobicContact CD1-CD1 3.88Å; L29-F78 HydrophobicContact CD1-CE1 3.68Å; L29-V197 HydrophobicContact CD1-CG1 4Å; L29-T261 HydrophobicContact CD2-CG2 4.17Å
30Q84.6Confident81.1Confident56 Ų5668.6 Ų68.626%0.26234%0.339SS..Hα-helixtrans-58.1-47.3174-170.1-179.67.600112P26 L32 M33 D34 I271P26-Q30 WeakPolarHBondContact O-CB 3.43Å; P26-Q30 PolarHBondContact O-N 3.33Å; Q30-L32 VanDerWaalsContact C-N 3.35Å; Q30-L32 PolarHBondContact O-N 2.87Å; Q30-M33 CarbonylContact O-C 3.54Å; Q30-M33 WeakPolarHBondContact O-CA 3.26Å; Q30-M33 WeakPolarHBondContact O-CB 3.12Å; Q30-M33 PolarHBondContact O-N 3.48Å; Q30-D34 PolarHBondContact O-N 3.15Å; Q30-D34 VanDerWaalsContact O-N 3.16Å; Q30-I271 HydrophobicContact CG-CD1 4.06Å
31K85Confident82.7Confident130 Ų13063.9 Ų63.957%0.56532%0.315SS*.Hα-helixtrans-60.6-38.6174.6-79.2-178.3176.1-171.50113.5K27 E28 L29 M33 D34K27-K31 WeakPolarHBondContact O-CG 3.16Å; K27-K31 PolarHBondContact O-N 3.34Å; K27-K31 VanDerWaalsContact O-N 3.12Å; E28-K31 PolarHBondContact O-N 3.01Å; L29-K31 PolarHBondContact O-N 3.45Å; K31-M33 PolarHBondContact O-N 2.83Å; K31-D34 WeakPolarHBondContact O-CB 3.37Å; K31-D34 PolarHBondContact O-N 2.88Å; K31-D34 VanDerWaalsContact O-N 3.11Å
32L87.1Confident83.8Confident0 Ų066.4 Ų66.40%032%0.315CS..Hα-helixtrans-60-36.7172.917166.8000111E28 L29 Q30 D34 Y43 L44 Y48 L54 I214 I244 T261E28-L32 PolarHBondContact O-N 3.27Å; L29-L32 WeakPolarHBondContact O-CB 3.46Å; L29-L32 PolarHBondContact O-N 3.33Å; Q30-L32 VanDerWaalsContact C-N 3.35Å; Q30-L32 PolarHBondContact O-N 2.87Å; L32-D34 VanDerWaalsContact C-N 3.3Å; L32-D34 PolarHBondContact O-N 3.31Å; L32-Y43 HydrophobicContact CB-CD1 4.34Å; L32-Y43 HydrophobicContact CB-CE1 4.28Å; L32-Y43 HydrophobicContact CD1-CD1 3.87Å; L32-L44 HydrophobicContact CD1-CB 4.41Å; L32-L44 HydrophobicContact CD1-CD1 4.4Å; L32-L44 HydrophobicContact CD2-CD1 4.23Å; L32-Y48 HydrophobicContact CB-CE2 4.45Å; L32-Y48 HydrophobicContact CD2-CE2 4.12Å; L32-L54 HydrophobicContact CD2-CD2 4.05Å; L32-I214 HydrophobicContact CD2-CD1 4.27Å; L32-I214 HydrophobicContact CD2-CG1 4.14Å; L32-I214 HydrophobicContact CG-CD1 4.35Å; L32-I244 WeakPolarHBondContact O-CD1 3.48Å; L32-T261 HydrophobicContact CD2-CG2 4.44Å
33M86.2Confident84.3Confident0 Ų068.1 Ų68.10%032%0.322CS..THydrogen-bonded Turntrans-78.1-6176-58.5-47.1-55.700114.6L29 Q30 K31 R36 D212 I214 I244 L245 L246 T261 Q268L29-M33 WeakPolarHBondContact O-CG 2.98Å; L29-M33 PolarHBondContact O-N 3.05Å; L29-M33 VanDerWaalsContact O-N 3.09Å; Q30-M33 CarbonylContact O-C 3.54Å; Q30-M33 WeakPolarHBondContact O-CA 3.26Å; Q30-M33 WeakPolarHBondContact O-CB 3.12Å; Q30-M33 PolarHBondContact O-N 3.48Å; K31-M33 PolarHBondContact O-N 2.83Å; M33-R36 PolarHBondContact O-NH1 3.36Å; M33-D212 HydrophobicContact CE-CB 3.87Å; M33-D212 HydrophobicContact CG-CB 4.02Å; M33-D212 HydrophobicContact SD-CB 4.3Å; M33-I214 HydrophobicContact SD-CD1 4.39Å; M33-I244 HydrophobicContact CE-CB 4.33Å; M33-I244 HydrophobicContact CE-CG1 4.06Å; M33-I244 HydrophobicContact CE-CG2 3.66Å; M33-L245 VanDerWaalsContact CE-O 3.3Å; M33-L245 WeakPolarHBondContact CE-O 3.32Å; M33-L246 HydrophobicContact CE-CD2 3.75Å; M33-T261 PolarHBondContact SD-OG1 2.82Å; M33-Q268 HydrophobicContact CB-CG 4.3Å; M33-Q268 PolarHBondContact O-NE2 2.8Å
34D83Confident84.7Confident88 Ų8860.7 Ų60.747%0.47129%0.287SS..THydrogen-bonded Turntrans-83.9-33.6170.4-65.8-35.2000111.7Q30 K31 L32 R36 Q268Q30-D34 PolarHBondContact O-N 3.15Å; Q30-D34 VanDerWaalsContact O-N 3.16Å; K31-D34 WeakPolarHBondContact O-CB 3.37Å; K31-D34 PolarHBondContact O-N 2.88Å; K31-D34 VanDerWaalsContact O-N 3.11Å; L32-D34 VanDerWaalsContact C-N 3.3Å; L32-D34 PolarHBondContact O-N 3.31Å; D34-R36 PolarHBondContact O-NH1 2.93Å; D34-Q268 PolarHBondContact OD1-NE2 3.24Å
35C82.9Confident84.9Confident16 Ų1664.6 Ų64.611%0.10831%0.308CS..  trans-60.4158.8177.1-63.30000112.3E39 A40 I244C35-E39 HydrophobicContact CB-CG 4.4Å; C35-A40 HydrophobicContact CB-CB 3.85Å; C35-I244 WeakPolarHBondContact O-CD1 3.29Å
36R79.7Confident84.9Confident83 Ų8369.9 Ų69.931%0.31333%0.328SS..  trans-136.6145.4179.3-67.1-69.4176.4-92.61.7112.6M33 D34 L38 E39M33-R36 PolarHBondContact O-NH1 3.36Å; D34-R36 PolarHBondContact O-NH1 2.93Å; R36-L38 PolarHBondContact O-N 3.32Å; R36-E39 WeakPolarHBondContact O-CB 3.21Å; R36-E39 PolarHBondContact O-N 2.8Å; R36-E39 VanDerWaalsContact O-N 3.13Å
37K81.8Confident85Confident125 Ų12571.9 Ų71.954%0.54333%0.333SS..THydrogen-bonded Turntrans52.8-129.6171.1-56.6175.1-177.4174.10111.6E39 A40 V41 K241 D242K37-E39 PolarHBondContact O-N 3.38Å; K37-A40 WeakPolarHBondContact O-CB 3.44Å; K37-A40 PolarHBondContact O-N 2.69Å; K37-A40 VanDerWaalsContact O-N 3.15Å; K37-V41 PolarHBondContact O-N 2.94Å; K37-K241 CarbonylContact C-O 3.47Å; K37-K241 WeakPolarHBondContact CA-O 3.2Å; K37-D242 WeakPolarHBondContact CA-OD1 3.36Å; K37-D242 HydrophobicContact CB-CB 4.41Å; K37-D242 HydrophobicContact CG-CB 4.18Å; K37-D242 PolarHBondContact N-OD1 3.47Å; K37-D242 VanDerWaalsContact N-OD1 3.14Å
38L83.2Confident85Confident116 Ų11665.1 Ų65.161%0.60730%0.303SS*.Hα-helixtrans-60.4-27-178.4-73.4161.2000114.1R36 V41 K42 K241R36-L38 PolarHBondContact O-N 3.32Å; L38-V41 PolarHBondContact O-N 3.37Å; L38-K42 WeakPolarHBondContact O-CG 3.37Å; L38-K42 PolarHBondContact O-N 2.92Å; L38-K42 VanDerWaalsContact O-N 3.11Å; L38-K241 PolarHBondContact N-O 3.06Å
39E85.4Confident84.8Confident126 Ų12665.1 Ų65.159%0.58932%0.319SS*.Hα-helixtrans-67.6-41.6176.9-171.5-177.9-172.500111C35 R36 K37 V41 K42 Y43C35-E39 HydrophobicContact CB-CG 4.4Å; R36-E39 WeakPolarHBondContact O-CB 3.21Å; R36-E39 PolarHBondContact O-N 2.8Å; R36-E39 VanDerWaalsContact O-N 3.13Å; K37-E39 PolarHBondContact O-N 3.38Å; E39-V41 VanDerWaalsContact C-N 3.34Å; E39-V41 PolarHBondContact O-N 2.95Å; E39-K42 PolarHBondContact O-N 3.36Å; E39-Y43 WeakPolarHBondContact O-CB 3.39Å; E39-Y43 PolarHBondContact O-N 3.08Å
40A83.1Confident84.8Confident1 Ų165.4 Ų65.41%0.00832%0.322CS..Hα-helixtrans-63.5-39.8176.100000112C35 K37 Y43 L44 I244C35-A40 HydrophobicContact CB-CB 3.85Å; K37-A40 WeakPolarHBondContact O-CB 3.44Å; K37-A40 PolarHBondContact O-N 2.69Å; K37-A40 VanDerWaalsContact O-N 3.15Å; A40-Y43 PolarHBondContact O-N 3.36Å; A40-L44 WeakPolarHBondContact O-CB 3.44Å; A40-L44 PolarHBondContact O-N 3.09Å; A40-I244 HydrophobicContact CB-CD1 3.41Å; A40-I244 VanDerWaalsContact CB-CD1 3.41Å; A40-I244 HydrophobicContact CB-CG1 4.09Å
41V85.2Confident84.8Confident21 Ų2164.2 Ų64.213%0.12732%0.318CS..Hα-helixtrans-63-44.1176.2-178.60000111.2K37 L38 E39 N45 P243K37-V41 PolarHBondContact O-N 2.94Å; L38-V41 PolarHBondContact O-N 3.37Å; E39-V41 VanDerWaalsContact C-N 3.34Å; E39-V41 PolarHBondContact O-N 2.95Å; V41-N45 WeakPolarHBondContact O-CB 3.45Å; V41-N45 VanDerWaalsContact O-CG 3.31Å; V41-N45 PolarHBondContact O-N 3.07Å; V41-N45 VanDerWaalsContact O-N 3.07Å; V41-N45 PolarHBondContact O-ND2 2.88Å; V41-P243 HydrophobicContact CG2-CG 3.94Å
42K86.3Confident84.9Confident136 Ų13662.6 Ų62.659%0.59132%0.319SS*.Hα-helixtrans-62.2-51.9175.2-73.7-175.6176.8-170.60111.7L38 E39 L44 N45 E46L38-K42 WeakPolarHBondContact O-CG 3.37Å; L38-K42 PolarHBondContact O-N 2.92Å; L38-K42 VanDerWaalsContact O-N 3.11Å; E39-K42 PolarHBondContact O-N 3.36Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-L44 PolarHBondContact O-N 3.15Å; K42-N45 PolarHBondContact O-N 2.96Å; K42-N45 VanDerWaalsContact O-N 3.15Å; K42-E46 WeakPolarHBondContact O-CB 3.25Å; K42-E46 WeakPolarHBondContact O-CG 3.41Å; K42-E46 PolarHBondContact O-N 3.39Å
43Y86.4Confident84.9Confident63 Ų6362.9 Ų62.925%0.24732%0.322CS..Hα-helixtrans-59-40-179.9-167-98.1000112.3L32 E39 A40 K47 Y48L32-Y43 HydrophobicContact CB-CD1 4.34Å; L32-Y43 HydrophobicContact CB-CE1 4.28Å; L32-Y43 HydrophobicContact CD1-CD1 3.87Å; E39-Y43 WeakPolarHBondContact O-CB 3.39Å; E39-Y43 PolarHBondContact O-N 3.08Å; A40-Y43 PolarHBondContact O-N 3.36Å; Y43-K47 HydrophobicContact CE1-CD 3.86Å; Y43-K47 HydrophobicContact CE2-CD 4.27Å; Y43-K47 VanDerWaalsContact O-CB 3.24Å; Y43-K47 WeakPolarHBondContact O-CB 3.46Å; Y43-K47 PolarHBondContact O-N 3.29Å; Y43-K47 WeakPolarHBondContact OH-CD 3.36Å; Y43-Y48 HydrophobicContact CD1-CE2 4.2Å; Y43-Y48 AromaticContact CE1-CE2 3.95Å; Y43-Y48 HydrophobicContact CE1-CE2 3.95Å
44L86.9Confident85Confident5 Ų562.9 Ų62.93%0.02632%0.322CS..Hα-helixtrans-63.5-44.2176.2-174.971.9000112.3L32 A40 K42 Y48 G49 G50 V51 L54 I214L32-L44 HydrophobicContact CD1-CB 4.41Å; L32-L44 HydrophobicContact CD1-CD1 4.4Å; L32-L44 HydrophobicContact CD2-CD1 4.23Å; A40-L44 WeakPolarHBondContact O-CB 3.44Å; A40-L44 PolarHBondContact O-N 3.09Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-L44 PolarHBondContact O-N 3.15Å; L44-Y48 HydrophobicContact CD1-CD2 4.16Å; L44-Y48 CarbonylContact O-C 3.49Å; L44-Y48 WeakPolarHBondContact O-CB 3.38Å; L44-Y48 PolarHBondContact O-N 3.5Å; L44-Y48 VanDerWaalsContact O-N 3.13Å; L44-G49 PolarHBondContact O-N 3.28Å; L44-G50 PolarHBondContact O-N 3.28Å; L44-V51 HydrophobicContact CD2-CG2 3.76Å; L44-L54 HydrophobicContact CD1-CB 4.16Å; L44-L54 HydrophobicContact CD1-CD2 3.75Å; L44-I214 HydrophobicContact CD2-CG2 4.1Å
45N86.6Confident85.2Confident88 Ų8858.8 Ų58.847%0.47130%0.3SS..Hα-helixtrans-72.1-47.9180-71.6-20.1000112.1V41 K42 G49 G50V41-N45 WeakPolarHBondContact O-CB 3.45Å; V41-N45 VanDerWaalsContact O-CG 3.31Å; V41-N45 PolarHBondContact O-N 3.07Å; V41-N45 VanDerWaalsContact O-N 3.07Å; V41-N45 PolarHBondContact O-ND2 2.88Å; K42-N45 PolarHBondContact O-N 2.96Å; K42-N45 VanDerWaalsContact O-N 3.15Å; N45-G49 WeakPolarHBondContact O-CA 3.38Å; N45-G49 PolarHBondContact O-N 2.95Å; N45-G49 VanDerWaalsContact O-N 3.14Å; N45-G50 VanDerWaalsContact OD1-CA 3.32Å; N45-G50 WeakPolarHBondContact OD1-CA 3.38Å
46E86.5Confident85.4Confident157 Ų15766.7 Ų66.773%0.73433%0.328SS*.Hα-helixtrans-66.4-42.1-177.1-71.4169.8-165.200112.5K42K42-E46 WeakPolarHBondContact O-CB 3.25Å; K42-E46 WeakPolarHBondContact O-CG 3.41Å; K42-E46 PolarHBondContact O-N 3.39Å
47K85.6Confident85.7Confident79 Ų7964.7 Ų64.734%0.34332%0.323SS..Hα-helixtrans-93.8-33.6-173.2-165.4179.4174.4-150.30114.2E28 Y43E28-K47 IonicContact OE1-NZ 2.7Å; E28-K47 PolarHBondContact OE1-NZ 2.84Å; Y43-K47 HydrophobicContact CE1-CD 3.86Å; Y43-K47 HydrophobicContact CE2-CD 4.27Å; Y43-K47 VanDerWaalsContact O-CB 3.24Å; Y43-K47 WeakPolarHBondContact O-CB 3.46Å; Y43-K47 PolarHBondContact O-N 3.29Å; Y43-K47 WeakPolarHBondContact OH-CD 3.36Å
48Y85.4Confident86Confident17 Ų1758.7 Ų58.77%0.06730%0.297CS..Hα-helixtrans-119.4-1.2-171.5-52.6-62.1000113.9I24 E28 L32 Y43 L44 G50 G53 L54 L57I24-Y48 HydrophobicContact CD1-CD1 4.09Å; I24-Y48 HydrophobicContact CD1-CE1 3.48Å; I24-Y48 VanDerWaalsContact CD1-CE1 3.48Å; I24-Y48 HydrophobicContact CG1-CE1 4.27Å; E28-Y48 PolarHBondContact O-OH 3.02Å; L32-Y48 HydrophobicContact CB-CE2 4.45Å; L32-Y48 HydrophobicContact CD2-CE2 4.12Å; Y43-Y48 HydrophobicContact CD1-CE2 4.2Å; Y43-Y48 AromaticContact CE1-CE2 3.95Å; Y43-Y48 HydrophobicContact CE1-CE2 3.95Å; L44-Y48 HydrophobicContact CD1-CD2 4.16Å; L44-Y48 CarbonylContact O-C 3.49Å; L44-Y48 WeakPolarHBondContact O-CB 3.38Å; L44-Y48 PolarHBondContact O-N 3.5Å; L44-Y48 VanDerWaalsContact O-N 3.13Å; Y48-G50 VanDerWaalsContact C-N 3.33Å; Y48-G53 CarbonylContact O-C 3.59Å; Y48-G53 WeakPolarHBondContact O-CA 3.06Å; Y48-L54 HydrophobicContact CG-CD1 4.39Å; Y48-L57 HydrophobicContact CD1-CD1 3.61Å; Y48-L57 HydrophobicContact CE1-CD1 4.46Å; Y48-L57 HydrophobicContact CG-CD1 4.36Å
49G82.9Confident86.2Confident60 Ų6058.2 Ų58.262%0.61929%0.29SS*.SBendtrans69.529.7-176.100000113.4L44 N45L44-G49 PolarHBondContact O-N 3.28Å; N45-G49 WeakPolarHBondContact O-CA 3.38Å; N45-G49 PolarHBondContact O-N 2.95Å; N45-G49 VanDerWaalsContact O-N 3.14Å
50G86.1Confident86.4Confident6 Ų652.9 Ų52.96%0.06227%0.266CS..Hα-helixtrans83.5-172.7179.100000113.9L44 N45 Y48 V52 G53 L54L44-G50 PolarHBondContact O-N 3.28Å; N45-G50 VanDerWaalsContact OD1-CA 3.32Å; N45-G50 WeakPolarHBondContact OD1-CA 3.38Å; Y48-G50 VanDerWaalsContact C-N 3.33Å; G50-V52 VanDerWaalsContact C-N 3.29Å; G50-V52 PolarHBondContact O-N 3.34Å; G50-G53 PolarHBondContact O-N 3.4Å; G50-L54 PolarHBondContact O-N 3.2Å
51V85.5Confident86.7Confident32 Ų3254.6 Ų54.619%0.19428%0.278CS..Hα-helixtrans-57.6-41-176.5-177.30000111.9L44 L54 C55 I214 I216L44-V51 HydrophobicContact CD2-CG2 3.76Å; V51-L54 PolarHBondContact O-N 3.01Å; V51-C55 PolarHBondContact O-N 3.36Å; V51-C55 PolarHBondContact O-SG 3.42Å; V51-I214 HydrophobicContact CG2-CG2 4.11Å; V51-I216 HydrophobicContact CG1-CB 4.45Å; V51-I216 HydrophobicContact CG1-CG1 4.02Å
52V86.5Confident86.7Confident95 Ų9555.4 Ų55.458%0.57628%0.284SS*.Hα-helixtrans-66.6-40.7-178.7-178.80000111.5G50 C55 R56G50-V52 VanDerWaalsContact C-N 3.29Å; G50-V52 PolarHBondContact O-N 3.34Å; V52-C55 PolarHBondContact O-N 3.03Å; V52-R56 PolarHBondContact O-N 2.84Å
53G86.9Confident86.7Confident7 Ų755.7 Ų55.77%0.07229%0.287CS..Hα-helixtrans-70.2-37.8176.400000112.7Y48 G50 C55 R56 L57Y48-G53 CarbonylContact O-C 3.59Å; Y48-G53 WeakPolarHBondContact O-CA 3.06Å; G50-G53 PolarHBondContact O-N 3.4Å; G53-C55 VanDerWaalsContact C-N 3.34Å; G53-C55 PolarHBondContact O-N 3.36Å; G53-R56 WeakPolarHBondContact O-CB 3.45Å; G53-R56 PolarHBondContact O-N 3.34Å; G53-L57 WeakPolarHBondContact O-CG 3.49Å; G53-L57 PolarHBondContact O-N 3.19Å
54L88.6Confident86.6Confident0 Ų056.1 Ų56.10%029%0.294CS..Hα-helixtrans-59.3-43.5169.7-18063.4000111.9I24 L29 L32 L44 Y48 G50 V51 R56 L57 L58 I214 V259 T261I24-L54 HydrophobicContact CD1-CD1 3.87Å; L29-L54 HydrophobicContact CD2-CD1 4.05Å; L32-L54 HydrophobicContact CD2-CD2 4.05Å; L44-L54 HydrophobicContact CD1-CB 4.16Å; L44-L54 HydrophobicContact CD1-CD2 3.75Å; Y48-L54 HydrophobicContact CG-CD1 4.39Å; G50-L54 PolarHBondContact O-N 3.2Å; V51-L54 PolarHBondContact O-N 3.01Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 2.96Å; L54-L57 PolarHBondContact O-N 2.81Å; L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CG 4.33Å; L54-L58 HydrophobicContact CG-CD1 4.1Å; L54-L58 WeakPolarHBondContact O-CB 3.46Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 3.18Å; L54-I214 HydrophobicContact CD2-CG1 4.18Å; L54-V259 HydrophobicContact CD2-CG1 4.38Å; L54-T261 HydrophobicContact CD2-CG2 4.1Å
55C87.8Confident86.6Confident1 Ų156 Ų561%0.00729%0.294CS..Hα-helixtrans-63.3-38.2176.5-66.80000112.1V51 V52 G53 L58 K59 T60 P62V51-C55 PolarHBondContact O-N 3.36Å; V51-C55 PolarHBondContact O-SG 3.42Å; V52-C55 PolarHBondContact O-N 3.03Å; G53-C55 VanDerWaalsContact C-N 3.34Å; G53-C55 PolarHBondContact O-N 3.36Å; C55-L58 CarbonylContact O-C 3.32Å; C55-L58 PolarHBondContact O-N 3.24Å; C55-K59 PolarHBondContact O-N 2.85Å; C55-K59 VanDerWaalsContact O-N 3.09Å; C55-T60 CarbonylContact C-O 3.31Å; C55-T60 HydrophobicContact CB-CG2 3.86Å; C55-T60 PolarHBondContact O-N 3.22Å; C55-P62 HydrophobicContact CB-CG 3.94Å
56R87Confident86.7Confident183 Ų18352 Ų5269%0.69127%0.272SS*.Hα-helixtrans-61.3-48.2174-166.8-171.2-58.1149.73112V52 G53 L54 L58 K59V52-R56 PolarHBondContact O-N 2.84Å; G53-R56 WeakPolarHBondContact O-CB 3.45Å; G53-R56 PolarHBondContact O-N 3.34Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 2.96Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 3.18Å; R56-K59 PolarHBondContact O-N 3.43Å
57L87.2Confident86.3Confident40 Ų4050.3 Ų50.321%0.20926%0.264CS..Hα-helixtrans-61.9-35.8177.2-68.8168000112.4E23 I24 Y48 G53 L54 K59E23-L57 HydrophobicContact CB-CD2 3.89Å; E23-L57 VanDerWaalsContact OE2-CD2 3.29Å; E23-L57 WeakPolarHBondContact OE2-CD2 3.39Å; I24-L57 HydrophobicContact CG2-CB 4.43Å; Y48-L57 HydrophobicContact CD1-CD1 3.61Å; Y48-L57 HydrophobicContact CE1-CD1 4.46Å; Y48-L57 HydrophobicContact CG-CD1 4.36Å; G53-L57 WeakPolarHBondContact O-CG 3.49Å; G53-L57 PolarHBondContact O-N 3.19Å; L54-L57 PolarHBondContact O-N 2.81Å; L57-K59 PolarHBondContact O-N 2.99Å
58L87.3Confident85.5Confident0 Ų049.7 Ų49.70%026%0.263CS..THydrogen-bonded Turntrans-81.13.1174.4-67.8178.3000113.9I24 L29 L54 C55 R56 T60 R74 F78 V197 V259I24-L58 HydrophobicContact CG2-CD2 3.75Å; L29-L58 HydrophobicContact CD1-CD2 4.17Å; L29-L58 HydrophobicContact CD2-CD2 4.49Å; L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CG 4.33Å; L54-L58 HydrophobicContact CG-CD1 4.1Å; L54-L58 WeakPolarHBondContact O-CB 3.46Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 3.18Å; C55-L58 CarbonylContact O-C 3.32Å; C55-L58 PolarHBondContact O-N 3.24Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 3.18Å; L58-T60 VanDerWaalsContact C-N 3.34Å; L58-T60 HydrophobicContact CB-CG2 4.08Å; L58-T60 PolarHBondContact O-N 3.32Å; L58-R74 VanDerWaalsContact O-CZ 3.3Å; L58-R74 PolarHBondContact O-NH1 2.92Å; L58-R74 PolarHBondContact O-NH2 3.45Å; L58-F78 HydrophobicContact CD2-CZ 4.39Å; L58-V197 HydrophobicContact CD1-CG1 4.46Å; L58-V197 HydrophobicContact CD2-CG1 3.79Å; L58-V259 HydrophobicContact CD1-CG2 4.07Å
59K88.2Confident84.8Confident106 Ų10657.5 Ų57.546%0.46130%0.3SS..THydrogen-bonded Turntrans4851.9-176.2-59.4179.5-179.4176.90111.9A19 F22 C55 R56 L57 R74A19-K59 PolarHBondContact O-NZ 3.5Å; F22-K59 HydrophobicContact CE1-CD 4.45Å; C55-K59 PolarHBondContact O-N 2.85Å; C55-K59 VanDerWaalsContact O-N 3.09Å; R56-K59 PolarHBondContact O-N 3.43Å; L57-K59 PolarHBondContact O-N 2.99Å; K59-R74 PolarHBondContact O-NH2 3.23Å
60T88.8Confident84.7Confident14 Ų1456.2 Ų56.29%0.08628%0.278CS..  trans-134.8147.2-178.9-167.30000111.9C55 L58 G65 L66 G198 V259C55-T60 CarbonylContact C-O 3.31Å; C55-T60 HydrophobicContact CB-CG2 3.86Å; C55-T60 PolarHBondContact O-N 3.22Å; L58-T60 VanDerWaalsContact C-N 3.34Å; L58-T60 HydrophobicContact CB-CG2 4.08Å; L58-T60 PolarHBondContact O-N 3.32Å; T60-G65 PolarHBondContact OG1-O 3.36Å; T60-L66 WeakPolarHBondContact OG1-CD2 3.45Å; T60-G198 VanDerWaalsContact CB-O 3.28Å; T60-G198 WeakPolarHBondContact CB-O 3.37Å; T60-G198 WeakPolarHBondContact CG2-O 3.47Å; T60-G198 PolarHBondContact OG1-O 3.15Å; T60-V259 HydrophobicContact CG2-CG2 4.02Å
61S89.3Confident84.7Confident36 Ų3658 Ų5825%0.25229%0.285SS..BIsolated β-bridgetrans-88.7129.5174.7174.50000110.4Q63 D64 G65S61-Q63 PolarHBondContact O-N 3.5Å; S61-Q63 PolarHBondContact OG-N 3.37Å; S61-D64 WeakPolarHBondContact CB-OD2 3.5Å; S61-D64 PolarHBondContact OG-N 2.75Å; S61-D64 VanDerWaalsContact OG-N 3.08Å; S61-D64 PolarHBondContact OG-OD2 2.91Å; S61-G65 PolarHBondContact N-O 3.02Å; S61-G65 VanDerWaalsContact N-O 3.09Å; S61-G65 VanDerWaalsContact O-CA 3.25Å; S61-G65 WeakPolarHBondContact O-CA 3.37Å; S61-G65 PolarHBondContact O-N 3.35Å
62P85.2Confident84.7Confident39 Ų3961 Ų6125%0.25331%0.307SS..THydrogen-bonded Turntrans-61-22.8173.2-2232.1000114.1C55 I216C55-P62 HydrophobicContact CB-CG 3.94Å; P62-I216 HydrophobicContact CB-CG2 4.09Å
63Q85.5Confident84.6Confident141 Ų14161 Ų6166%0.65930%0.299SS*.THydrogen-bonded Turntrans-97.1-47.6179-69.8-174.2-5.400112.1S61S61-Q63 PolarHBondContact O-N 3.5Å; S61-Q63 PolarHBondContact OG-N 3.37Å
64D84.6Confident84.8Confident73 Ų7361 Ų6139%0.3930%0.297SS..THydrogen-bonded Turntrans-98.8-11.8-169.8-40.4-74.9000113.9S61 R183 K184 G185S61-D64 WeakPolarHBondContact CB-OD2 3.5Å; S61-D64 PolarHBondContact OG-N 2.75Å; S61-D64 VanDerWaalsContact OG-N 3.08Å; S61-D64 PolarHBondContact OG-OD2 2.91Å; D64-R183 CarbonylContact O-C 3.47Å; D64-K184 PolarHBondContact O-N 3.24Å; D64-G185 PolarHBondContact O-N 3.27Å
65G87.4Confident84.8Confident3 Ų364.5 Ų64.53%0.03132%0.315CS..BIsolated β-bridgetrans69.7-143.1-176.100000113.9T60 S61 I182T60-G65 PolarHBondContact OG1-O 3.36Å; S61-G65 PolarHBondContact N-O 3.02Å; S61-G65 VanDerWaalsContact N-O 3.09Å; S61-G65 VanDerWaalsContact O-CA 3.25Å; S61-G65 WeakPolarHBondContact O-CA 3.37Å; S61-G65 PolarHBondContact O-N 3.35Å; G65-I182 WeakPolarHBondContact CA-O 3.46Å
66L88.3Confident84.8Confident2 Ų271 Ų711%0.0135%0.35CS..BIsolated β-bridgetrans-88.1145.8-177.4-69.7-179.1000113.3T60 F71 R74 K184 V196 G198T60-L66 WeakPolarHBondContact OG1-CD2 3.45Å; L66-F71 HydrophobicContact CB-CE1 4.39Å; L66-F71 HydrophobicContact CD1-CE1 4.13Å; L66-R74 VanDerWaalsContact CD2-CZ 3.42Å; L66-K184 PolarHBondContact O-N 2.95Å; L66-K184 VanDerWaalsContact O-N 3.12Å; L66-V196 HydrophobicContact CD1-CG2 3.69Å; L66-G198 WeakPolarHBondContact CG-O 3.5Å
67H78.2Confident84.9Confident123 Ų12365.4 Ų65.457%0.56934%0.336SS*.  trans-86.6135.7159.8-87.9-113.3000110.3E69H67-E69 PolarHBondContact O-N 3.42Å
68E69.5Low85Confident66 Ų6663.7 Ų63.731%0.30833%0.327SS..THydrogen-bonded Turntrans-72.70.8-161-65.3169.1153.500116.3D70 F71 K184 K188E68-D70 PolarHBondContact O-N 3.13Å; E68-F71 HydrophobicContact CB-CE2 3.65Å; E68-F71 HydrophobicContact CB-CZ 3.94Å; E68-F71 HydrophobicContact CG-CE2 3.85Å; E68-F71 HydrophobicContact CG-CZ 3.81Å; E68-F71 WeakPolarHBondContact O-CD2 3.13Å; E68-F71 WeakPolarHBondContact O-CE2 3.35Å; E68-K184 HydrophobicContact CG-CD 4.28Å; E68-K184 VanDerWaalsContact OE2-CE 3.31Å; E68-K184 WeakPolarHBondContact OE2-CE 3.09Å; E68-K184 IonicContact OE2-NZ 3Å; E68-K184 PolarHBondContact OE2-NZ 3.05Å; E68-K188 IonicContact OE1-NZ 2.85Å; E68-K188 PolarHBondContact OE1-NZ 3.34Å
69E69.6Low85.1Confident181 Ų18164.9 Ų64.985%0.84634%0.339SS*.THydrogen-bonded Turntrans-83.3-10.5-170.7-68.3172.1-157.700114.4H67H67-E69 PolarHBondContact O-N 3.42Å
70D81.8Confident85.2Confident32 Ų3261.7 Ų61.717%0.17133%0.333CS..  trans-115.33.8-163.9-168.941.3000114.6F22 E68 S72 K73 R74F22-D70 VanDerWaalsContact CZ-OD2 3.28Å; F22-D70 WeakPolarHBondContact CZ-OD2 3.5Å; E68-D70 PolarHBondContact O-N 3.13Å; D70-S72 PolarHBondContact O-N 3.46Å; D70-K73 PolarHBondContact O-N 2.94Å; D70-K73 WeakPolarHBondContact OD1-CB 3.16Å; D70-K73 WeakPolarHBondContact OD1-CD 3.15Å; D70-R74 PolarHBondContact O-N 3.46Å; D70-R74 VanDerWaalsContact O-N 3.15Å; D70-R74 IonicContact OD2-CZ 2.72Å; D70-R74 IonicContact OD2-NE 3.27Å; D70-R74 PolarHBondContact OD2-NE 3.46Å; D70-R74 IonicContact OD2-NH2 2.59Å; D70-R74 PolarHBondContact OD2-NH2 2.82Å
71F86Confident85.3Confident45 Ų4561.9 Ų61.920%0.19733%0.333CS..Hα-helixtrans-58.8-42-172.4-61.9-40.9000113.9L66 E68 K73 R74 I75 V196L66-F71 HydrophobicContact CB-CE1 4.39Å; L66-F71 HydrophobicContact CD1-CE1 4.13Å; E68-F71 HydrophobicContact CB-CE2 3.65Å; E68-F71 HydrophobicContact CB-CZ 3.94Å; E68-F71 HydrophobicContact CG-CE2 3.85Å; E68-F71 HydrophobicContact CG-CZ 3.81Å; E68-F71 WeakPolarHBondContact O-CD2 3.13Å; E68-F71 WeakPolarHBondContact O-CE2 3.35Å; F71-K73 VanDerWaalsContact C-N 3.33Å; F71-K73 PolarHBondContact O-N 3.39Å; F71-R74 PolarHBondContact O-N 2.9Å; F71-I75 WeakPolarHBondContact O-CG1 3.31Å; F71-I75 PolarHBondContact O-N 3.42Å; F71-V196 HydrophobicContact CD1-CG2 3.92Å; F71-V196 HydrophobicContact CE1-CG2 4.25Å
72S84.1Confident85.1Confident94 Ų9464 Ų6466%0.65734%0.344SS*.Hα-helixtrans-63.8-36.4179.7-570000112.7D70 N76D70-S72 PolarHBondContact O-N 3.46Å; S72-N76 VanDerWaalsContact O-CG 3.27Å; S72-N76 PolarHBondContact O-N 2.91Å; S72-N76 PolarHBondContact O-ND2 3.11Å
73K85.8Confident84.6Confident96 Ų9665.2 Ų65.242%0.41735%0.348SS..Hα-helixtrans-68.6-44.5175.8-57.2-168.3-166.7168.90110.3D20 F22 D70 F71 I75 N76 T77D20-K73 IonicContact OD1-NZ 2.63Å; D20-K73 PolarHBondContact OD1-NZ 2.89Å; F22-K73 HydrophobicContact CE2-CB 4.33Å; D70-K73 PolarHBondContact O-N 2.94Å; D70-K73 WeakPolarHBondContact OD1-CB 3.16Å; D70-K73 WeakPolarHBondContact OD1-CD 3.15Å; F71-K73 VanDerWaalsContact C-N 3.33Å; F71-K73 PolarHBondContact O-N 3.39Å; K73-I75 PolarHBondContact O-N 3.1Å; K73-N76 PolarHBondContact O-N 2.93Å; K73-N76 VanDerWaalsContact O-N 3.12Å; K73-T77 PolarHBondContact O-N 2.86Å; K73-T77 PolarHBondContact O-OG1 3Å
74R90Very high83.7Confident5 Ų563 Ų632%0.01935%0.346CS..Hα-helixtrans-59.2-43.4177.6-68.9173.7-176-97.4-6112.9F22 L58 K59 L66 D70 F71 N76 T77 F78 V196 V197F22-R74 HydrophobicContact CE1-CG 4.27Å; F22-R74 HydrophobicContact CE2-CG 4.29Å; F22-R74 HydrophobicContact CZ-CG 3.59Å; L58-R74 VanDerWaalsContact O-CZ 3.3Å; L58-R74 PolarHBondContact O-NH1 2.92Å; L58-R74 PolarHBondContact O-NH2 3.45Å; K59-R74 PolarHBondContact O-NH2 3.23Å; L66-R74 VanDerWaalsContact CD2-CZ 3.42Å; D70-R74 PolarHBondContact O-N 3.46Å; D70-R74 VanDerWaalsContact O-N 3.15Å; D70-R74 IonicContact OD2-CZ 2.72Å; D70-R74 IonicContact OD2-NE 3.27Å; D70-R74 PolarHBondContact OD2-NE 3.46Å; D70-R74 IonicContact OD2-NH2 2.59Å; D70-R74 PolarHBondContact OD2-NH2 2.82Å; F71-R74 PolarHBondContact O-N 2.9Å; R74-N76 VanDerWaalsContact C-N 3.31Å; R74-N76 PolarHBondContact O-N 3.41Å; R74-T77 PolarHBondContact O-N 2.84Å; R74-F78 HydrophobicContact CB-CD2 4.38Å; R74-F78 WeakPolarHBondContact O-CB 3.44Å; R74-F78 PolarHBondContact O-N 2.82Å; R74-V196 HydrophobicContact CB-CB 4.4Å; R74-V197 PolarHBondContact NH1-O 3.06Å
75I88.9Confident82.8Confident74 Ų7463.1 Ų63.138%0.37934%0.344SS..Hα-helixtrans-62-41.1175.9-69.5165.7000110.8F71 K73 G79 A80 V196F71-I75 WeakPolarHBondContact O-CG1 3.31Å; F71-I75 PolarHBondContact O-N 3.42Å; K73-I75 PolarHBondContact O-N 3.1Å; I75-G79 CarbonylContact O-C 3.51Å; I75-G79 WeakPolarHBondContact O-CA 3.43Å; I75-G79 PolarHBondContact O-N 3.18Å; I75-A80 HydrophobicContact CG2-CB 4.14Å; I75-V196 HydrophobicContact CD1-CG1 4.38Å; I75-V196 HydrophobicContact CG1-CG1 3.91Å
76N87.7Confident81.7Confident139 Ų13969.9 Ų69.974%0.74338%0.375SS*.Hα-helixtrans-69.8-35.2177.6-70.3-19.6000113.3S72 K73 R74S72-N76 VanDerWaalsContact O-CG 3.27Å; S72-N76 PolarHBondContact O-N 2.91Å; S72-N76 PolarHBondContact O-ND2 3.11Å; K73-N76 PolarHBondContact O-N 2.93Å; K73-N76 VanDerWaalsContact O-N 3.12Å; R74-N76 VanDerWaalsContact C-N 3.31Å; R74-N76 PolarHBondContact O-N 3.41Å
77T88.8Confident80.8Confident64 Ų6481 Ų8139%0.39342%0.417SS..Hα-helixtrans-82.8-45.4-179.2-55.30000113.1F22 P26 K73 R74F22-T77 HydrophobicContact CD2-CG2 3.91Å; P26-T77 WeakPolarHBondContact CG-O 3.38Å; K73-T77 PolarHBondContact O-N 2.86Å; K73-T77 PolarHBondContact O-OG1 3Å; R74-T77 PolarHBondContact O-N 2.84Å
78F89.9Confident80.5Confident5 Ų577.9 Ų77.92%0.02241%0.412CS..Hα-helixtrans-109.1-10.6-169.9-57.1-74000114.4F22 I24 P26 L29 L58 R74 V197 N266F22-F78 HydrophobicContact CB-CE2 4.33Å; F22-F78 HydrophobicContact CB-CZ 3.85Å; F22-F78 AromaticContact CD1-CE2 3.95Å; F22-F78 HydrophobicContact CD1-CE2 3.95Å; F22-F78 HydrophobicContact CD1-CZ 4.13Å; F22-F78 AromaticContact CD2-CE2 3.74Å; F22-F78 HydrophobicContact CD2-CE2 3.74Å; F22-F78 HydrophobicContact CD2-CZ 4.11Å; F22-F78 HydrophobicContact CE1-CE2 4.17Å; F22-F78 AromaticContact CE2-CE2 3.97Å; F22-F78 HydrophobicContact CE2-CE2 3.97Å; F22-F78 AromaticContact CG-CE2 3.73Å; F22-F78 HydrophobicContact CG-CE2 3.73Å; F22-F78 AromaticContact CG-CZ 3.76Å; F22-F78 HydrophobicContact CG-CZ 3.76Å; F22-F78 HydrophobicContact CZ-CE2 4.18Å; I24-F78 HydrophobicContact CG2-CE1 4.41Å; I24-F78 HydrophobicContact CG2-CZ 4.32Å; I24-F78 WeakPolarHBondContact O-CE1 3.42Å; P26-F78 HydrophobicContact CB-CD1 4.45Å; P26-F78 HydrophobicContact CG-CD1 3.91Å; L29-F78 HydrophobicContact CD1-CD1 3.88Å; L29-F78 HydrophobicContact CD1-CE1 3.68Å; L58-F78 HydrophobicContact CD2-CZ 4.39Å; R74-F78 HydrophobicContact CB-CD2 4.38Å; R74-F78 WeakPolarHBondContact O-CB 3.44Å; R74-F78 PolarHBondContact O-N 2.82Å; F78-V197 HydrophobicContact CB-CB 3.93Å; F78-V197 HydrophobicContact CB-CG2 3.66Å; F78-V197 HydrophobicContact CD1-CB 4.48Å; F78-V197 HydrophobicContact CD1-CG1 4.23Å; F78-V197 HydrophobicContact CD2-CB 4.07Å; F78-V197 HydrophobicContact CD2-CG1 4.32Å; F78-V197 HydrophobicContact CG-CB 3.91Å; F78-V197 HydrophobicContact CG-CG1 4.12Å; F78-V197 HydrophobicContact CG-CG2 4.11Å; F78-N266 PolarHBondContact O-ND2 3.36Å
79G89.3Confident81.1Confident24 Ų2479.1 Ų79.125%0.24742%0.416CS..  trans92.8168.7-174.900000113.6I75 V263I75-G79 CarbonylContact O-C 3.51Å; I75-G79 WeakPolarHBondContact O-CA 3.43Å; I75-G79 PolarHBondContact O-N 3.18Å; G79-V263 WeakPolarHBondContact O-CG2 3.43Å
80A89.9Confident82Confident40 Ų4074.8 Ų74.833%0.33140%0.402SS..  trans-94.9154.1174.500000111.4I75 V82I75-A80 HydrophobicContact CG2-CB 4.14Å; A80-V82 PolarHBondContact O-N 3.02Å
81N90.9Very high82.4Confident17 Ų1776.1 Ų76.19%0.09141%0.407CS..SBendtrans-78.356.2175.3-159.230.6000113.2V192 I195 P210 V263 G264N81-V192 PolarHBondContact ND2-O 3.24Å; N81-I195 WeakPolarHBondContact CB-O 3.25Å; N81-P210 PolarHBondContact ND2-O 3.06Å; N81-P210 PolarHBondContact OD1-O 3.17Å; N81-V263 HydrophobicContact CB-CB 3.84Å; N81-V263 HydrophobicContact CB-CG1 4.19Å; N81-G264 PolarHBondContact OD1-N 2.85Å
82V84.9Confident82.6Confident80 Ų8080.3 Ų80.349%0.48543%0.43SS..  trans-134.4118.9179.8-177.60000109.1A80 K193A80-V82 PolarHBondContact O-N 3.02Å; V82-K193 HydrophobicContact CG2-CB 4.09Å
83I75.1Confident82.9Confident65 Ų6581 Ų8133%0.33342%0.419SS..PPolyproline II helixtrans-80.6124.7170.4-59.7177.6000107.6Q85 F273I83-Q85 PolarHBondContact O-N 3.3Å; I83-F273 HydrophobicContact CG2-CB 4.46Å; I83-F273 HydrophobicContact CG2-CD1 3.33Å; I83-F273 HydrophobicContact CG2-CE1 3.71Å; I83-F273 HydrophobicContact CG2-CG 4Å
84P66.1Low82.9Confident95 Ų9577 Ų7762%0.61740%0.402SS*.PPolyproline II helixtrans-67.3117.9-173.725-33.4000111.8
85Q67.4Low82.8Confident75 Ų7577.9 Ų77.935%0.3541%0.406SS..PPolyproline II helixtrans-64.9156.5172.8-65.8179.6300111.9I83 R87 E174I83-Q85 PolarHBondContact O-N 3.3Å; Q85-R87 PolarHBondContact O-N 3.07Å; Q85-E174 VanDerWaalsContact NE2-CD 3.29Å; Q85-E174 PolarHBondContact NE2-OE1 3.45Å; Q85-E174 PolarHBondContact NE2-OE2 3.45Å
86Q64.4Low82.9Confident145 Ų14581.2 Ų81.268%0.67841%0.414SS*.PPolyproline II helixtrans-58.9130.9169.3-71.6-174.6-18.900111.2R167Q86-R167 PolarHBondContact O-NH1 3.01Å; Q86-R167 PolarHBondContact O-NH2 3.26Å
87R68.7Low82.7Confident237 Ų23777.5 Ų77.589%0.89439%0.392SS*.PPolyproline II helixtrans-57.4148178.9-68.4-176.3177.7-177.6-1111.2Q85 R167Q85-R87 PolarHBondContact O-N 3.07Å; R87-R167 PolarHBondContact O-NH2 3.16Å
88A72.6Confident82.3Confident57 Ų5775.3 Ų75.347%0.47138%0.381SS..PPolyproline II helixtrans-63144.5176.200000111.8T90 E163 R167A88-T90 PolarHBondContact O-N 3.27Å; A88-E163 VanDerWaalsContact CA-OE1 3.28Å; A88-E163 WeakPolarHBondContact CA-OE1 3.24Å; A88-R167 VanDerWaalsContact CA-NH2 3.27Å
89K81.3Confident82.1Confident91 Ų9177.8 Ų77.840%0.39639%0.394SS..PPolyproline II helixtrans-64.3134.9166.7-64.5-167.5-179.3-161.60108.3L94 E97 E163K89-L94 HydrophobicContact CB-CD2 4.07Å; K89-L94 HydrophobicContact CB-CG 4.12Å; K89-L94 HydrophobicContact CD-CD2 3.8Å; K89-E97 IonicContact NZ-OE1 2.7Å; K89-E97 PolarHBondContact NZ-OE1 3.37Å; K89-E97 IonicContact NZ-OE2 3.94Å; K89-E97 PolarHBondContact NZ-OE2 3.33Å; K89-E163 PolarHBondContact N-OE1 3.13Å; K89-E163 PolarHBondContact N-OE2 3.49Å
90T89.3Confident82Confident91 Ų9179.8 Ų79.856%0.55840%0.397SS*.PPolyproline II helixtrans-70.9151.5172.656.70000109.6A88 L92 R93 L94A88-T90 PolarHBondContact O-N 3.27Å; T90-L92 PolarHBondContact O-N 2.47Å; T90-R93 WeakPolarHBondContact O-CA 3.45Å; T90-R93 WeakPolarHBondContact O-CB 3.17Å; T90-R93 PolarHBondContact O-N 3.49Å; T90-R93 WeakPolarHBondContact OG1-CB 3.29Å; T90-R93 PolarHBondContact OG1-N 2.87Å; T90-L94 PolarHBondContact O-N 2.9Å; T90-L94 VanDerWaalsContact O-N 3.11Å
91F89.1Confident81.4Confident59 Ų5981.2 Ų81.226%0.25940%0.399SS..Hα-helixtrans-54-41.7177.1-179.9-102.7000112.3R93 L94 M95 F153 A156 L157 W160F91-R93 VanDerWaalsContact C-N 3.3Å; F91-R93 PolarHBondContact O-N 3.36Å; F91-L94 WeakPolarHBondContact O-CB 3.38Å; F91-L94 PolarHBondContact O-N 3.49Å; F91-L94 VanDerWaalsContact O-N 3.13Å; F91-M95 HydrophobicContact CD1-CG 4.35Å; F91-M95 HydrophobicContact CD1-SD 4Å; F91-M95 HydrophobicContact CE1-CG 3.94Å; F91-M95 HydrophobicContact CE1-SD 3.41Å; F91-M95 WeakPolarHBondContact CE1-SD 3.45Å; F91-M95 HydrophobicContact CZ-CG 4.15Å; F91-M95 HydrophobicContact CZ-SD 4.04Å; F91-M95 PolarHBondContact O-N 3.49Å; F91-F153 HydrophobicContact CE1-CD2 4.04Å; F91-F153 AromaticContact CE1-CE2 3.77Å; F91-F153 HydrophobicContact CE1-CE2 3.77Å; F91-F153 AromaticContact CZ-CD2 3.77Å; F91-F153 HydrophobicContact CZ-CD2 3.77Å; F91-F153 AromaticContact CZ-CE2 3.58Å; F91-F153 HydrophobicContact CZ-CE2 3.58Å; F91-F153 HydrophobicContact CZ-CZ 4.2Å; F91-A156 HydrophobicContact CE2-CB 3.98Å; F91-A156 HydrophobicContact CZ-CB 4.25Å; F91-L157 HydrophobicContact CE2-CB 4.17Å; F91-W160 HydrophobicContact CD2-CB 4.1Å; F91-W160 HydrophobicContact CD2-CG 4.3Å
92L90.5Very high80.6Confident133 Ų13385.5 Ų85.570%0.69642%0.421SS*.Hα-helixtrans-61.4-33.6173.9-66.9174.2000113.3T90 W96T90-L92 PolarHBondContact O-N 2.47Å; L92-W96 WeakPolarHBondContact O-CB 3.39Å; L92-W96 PolarHBondContact O-N 3.44Å
93R90.3Very high80Confident109 Ų10982.6 Ų82.641%0.41140%0.404SS..Hα-helixtrans-70.6-35.5175.2-179.358.6-173-160.52.6111.7T90 F91 W96 E97T90-R93 WeakPolarHBondContact O-CA 3.45Å; T90-R93 WeakPolarHBondContact O-CB 3.17Å; T90-R93 PolarHBondContact O-N 3.49Å; T90-R93 WeakPolarHBondContact OG1-CB 3.29Å; T90-R93 PolarHBondContact OG1-N 2.87Å; F91-R93 VanDerWaalsContact C-N 3.3Å; F91-R93 PolarHBondContact O-N 3.36Å; R93-W96 PolarHBondContact O-N 2.69Å; R93-E97 IonicContact CZ-OE1 2.65Å; R93-E97 IonicContact NE-OE1 3.46Å; R93-E97 PolarHBondContact NE-OE1 2.9Å; R93-E97 IonicContact NH2-OE1 3.78Å; R93-E97 WeakPolarHBondContact O-CG 3.4Å; R93-E97 PolarHBondContact O-N 3.08Å
94L86.2Confident80.2Confident11 Ų1180.2 Ų80.26%0.05839%0.392CS..Hα-helixtrans-67.8-43.1174.3-65.1171.4000111.5K89 T90 F91 W96 E97 A98 A156 D159 W160K89-L94 HydrophobicContact CB-CD2 4.07Å; K89-L94 HydrophobicContact CB-CG 4.12Å; K89-L94 HydrophobicContact CD-CD2 3.8Å; T90-L94 PolarHBondContact O-N 2.9Å; T90-L94 VanDerWaalsContact O-N 3.11Å; F91-L94 WeakPolarHBondContact O-CB 3.38Å; F91-L94 PolarHBondContact O-N 3.49Å; F91-L94 VanDerWaalsContact O-N 3.13Å; L94-W96 VanDerWaalsContact C-N 3.31Å; L94-W96 PolarHBondContact O-N 2.91Å; L94-E97 PolarHBondContact O-N 3.21Å; L94-A98 PolarHBondContact O-N 2.93Å; L94-A156 HydrophobicContact CB-CB 4.21Å; L94-D159 HydrophobicContact CD1-CB 4.49Å; L94-D159 HydrophobicContact CD2-CB 4.4Å; L94-W160 HydrophobicContact CD1-CB 3.75Å
95M87.6Confident81Confident24 Ų2479.1 Ų79.112%0.11838%0.38CS..Hα-helixtrans-58.2-42.4171.4-70.2-174.375.700112.2F91 A98 L99 F149 V152 F153 A156F91-M95 HydrophobicContact CD1-CG 4.35Å; F91-M95 HydrophobicContact CD1-SD 4Å; F91-M95 HydrophobicContact CE1-CG 3.94Å; F91-M95 HydrophobicContact CE1-SD 3.41Å; F91-M95 WeakPolarHBondContact CE1-SD 3.45Å; F91-M95 HydrophobicContact CZ-CG 4.15Å; F91-M95 HydrophobicContact CZ-SD 4.04Å; F91-M95 PolarHBondContact O-N 3.49Å; M95-A98 PolarHBondContact O-N 2.93Å; M95-L99 WeakPolarHBondContact O-CG 3.31Å; M95-L99 PolarHBondContact O-N 3.44Å; M95-F149 HydrophobicContact CE-CD2 4.46Å; M95-F149 HydrophobicContact CE-CE2 3.79Å; M95-F149 HydrophobicContact CE-CZ 4.26Å; M95-V152 HydrophobicContact CB-CG1 4.29Å; M95-V152 HydrophobicContact CE-CG1 4.22Å; M95-F153 HydrophobicContact CE-CB 4.44Å; M95-F153 HydrophobicContact CE-CD2 4.26Å; M95-F153 HydrophobicContact SD-CD2 4.4Å; M95-A156 HydrophobicContact CB-CB 4.25Å; M95-A156 HydrophobicContact CG-CB 3.47Å; M95-A156 VanDerWaalsContact CG-CB 3.47Å
96W91.3Very high81.4Confident145 Ų14578.5 Ų78.555%0.54938%0.381SS..Hα-helixtrans-65.6-37.1177.1-175.8-91.5000112.8L92 R93 L94 L99 Q100L92-W96 WeakPolarHBondContact O-CB 3.39Å; L92-W96 PolarHBondContact O-N 3.44Å; R93-W96 PolarHBondContact O-N 2.69Å; L94-W96 VanDerWaalsContact C-N 3.31Å; L94-W96 PolarHBondContact O-N 2.91Å; W96-L99 PolarHBondContact O-N 3.04Å; W96-Q100 WeakPolarHBondContact O-CG 3.18Å
97E84Confident81.8Confident60 Ų6071.7 Ų71.728%0.2835%0.349SS..Hα-helixtrans-70.5-37.4175.7-74.2173.4-172.100112.1K89 R93 L94 L99 Q100K89-E97 IonicContact NZ-OE1 2.7Å; K89-E97 PolarHBondContact NZ-OE1 3.37Å; K89-E97 IonicContact NZ-OE2 3.94Å; K89-E97 PolarHBondContact NZ-OE2 3.33Å; R93-E97 IonicContact CZ-OE1 2.65Å; R93-E97 IonicContact NE-OE1 3.46Å; R93-E97 PolarHBondContact NE-OE1 2.9Å; R93-E97 IonicContact NH2-OE1 3.78Å; R93-E97 WeakPolarHBondContact O-CG 3.4Å; R93-E97 PolarHBondContact O-N 3.08Å; L94-E97 PolarHBondContact O-N 3.21Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 2.83Å; E97-Q100 WeakPolarHBondContact O-CB 3.49Å; E97-Q100 PolarHBondContact O-N 3.17Å; E97-Q100 VanDerWaalsContact O-N 3.13Å
98A80Confident82.6Confident18 Ų1862.1 Ų62.115%0.14932%0.316CS..Hα-helixtrans-64.8-35.4172.900000112.6L94 M95 Q100 D101 V152 V155L94-A98 PolarHBondContact O-N 2.93Å; M95-A98 PolarHBondContact O-N 2.93Å; A98-Q100 PolarHBondContact O-N 2.95Å; A98-D101 PolarHBondContact O-N 3.37Å; A98-V152 HydrophobicContact CB-CG1 4.27Å; A98-V155 HydrophobicContact CB-CG1 4.05Å
99L86.2Confident83.1Confident58 Ų5863.1 Ų63.130%0.30432%0.315SS..THydrogen-bonded Turntrans-68.3-6.6172.8-80163.5000114.5M95 W96 E97 I105 I108 V152M95-L99 WeakPolarHBondContact O-CG 3.31Å; M95-L99 PolarHBondContact O-N 3.44Å; W96-L99 PolarHBondContact O-N 3.04Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 2.83Å; L99-I105 WeakPolarHBondContact O-CG1 3.3Å; L99-I108 HydrophobicContact CD2-CD1 3.78Å; L99-V152 HydrophobicContact CD1-CG1 4.31Å; L99-V152 HydrophobicContact CD2-CG1 4.42Å; L99-V152 HydrophobicContact CD2-CG2 3.86Å; L99-V152 HydrophobicContact CG-CG1 3.88Å; L99-V152 HydrophobicContact CG-CG2 4.05Å
100Q85.4Confident82.8Confident66 Ų6659.3 Ų59.331%0.30830%0.301SS..THydrogen-bonded Turntrans-90.62.8178.3-72.8-174.7-24.900114.3W96 E97 A98W96-Q100 WeakPolarHBondContact O-CG 3.18Å; E97-Q100 WeakPolarHBondContact O-CB 3.49Å; E97-Q100 PolarHBondContact O-N 3.17Å; E97-Q100 VanDerWaalsContact O-N 3.13Å; A98-Q100 PolarHBondContact O-N 2.95Å
101D78.4Confident82.4Confident70 Ų7055 Ų5537%0.37427%0.274SS..  trans-68.4137.1170.6-150.9-49.6000111.2A98 T103 L104 I105A98-D101 PolarHBondContact O-N 3.37Å; D101-T103 VanDerWaalsContact C-N 3.28Å; D101-T103 PolarHBondContact O-N 2.85Å; D101-T103 PolarHBondContact OD1-N 3.45Å; D101-T103 VanDerWaalsContact OD1-N 3.12Å; D101-T103 PolarHBondContact OD1-OG1 3.41Å; D101-L104 HydrophobicContact CB-CB 4.39Å; D101-L104 HydrophobicContact CB-CD1 4.05Å; D101-L104 PolarHBondContact O-N 3.23Å; D101-I105 WeakPolarHBondContact O-CB 3.24Å; D101-I105 WeakPolarHBondContact O-CD1 3.37Å; D101-I105 WeakPolarHBondContact O-CG1 3.48Å; D101-I105 PolarHBondContact O-N 2.83Å
102L73.9Confident82.3Confident106 Ų10657.9 Ų57.956%0.55529%0.287SS*.Hα-helixtrans-64.8-33.8178.1-174.664000111.4V106L102-V106 HydrophobicContact CD1-CG2 4.29Å; L102-V106 HydrophobicContact CG-CG2 4.48Å; L102-V106 WeakPolarHBondContact O-CB 3.47Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.28Å; L102-V106 PolarHBondContact O-N 3.35Å
103T72.8Confident81.8Confident20 Ų2055.4 Ų55.412%0.12327%0.274CS..Hα-helixtrans-61.1-53.3177.355.70000110.8D101 V106 L107 E420D101-T103 VanDerWaalsContact C-N 3.28Å; D101-T103 PolarHBondContact O-N 2.85Å; D101-T103 PolarHBondContact OD1-N 3.45Å; D101-T103 VanDerWaalsContact OD1-N 3.12Å; D101-T103 PolarHBondContact OD1-OG1 3.41Å; T103-V106 PolarHBondContact O-N 3.01Å; T103-L107 WeakPolarHBondContact O-CB 3.5Å; T103-L107 PolarHBondContact O-N 3.41Å; T103-L107 VanDerWaalsContact O-N 3.08Å; T103-E420 PolarHBondContact OG1-OE1 3.47Å
104L77.9Confident81.1Confident15 Ų1550.2 Ų50.28%0.07925%0.254CS..Hα-helixtrans-64.5-41.6178.4-73.1159000112D101 L107 I108 V148 V152D101-L104 HydrophobicContact CB-CB 4.39Å; D101-L104 HydrophobicContact CB-CD1 4.05Å; D101-L104 PolarHBondContact O-N 3.23Å; L104-L107 PolarHBondContact O-N 3.24Å; L104-I108 WeakPolarHBondContact O-CD1 3.14Å; L104-I108 VanDerWaalsContact O-CG1 3.23Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 3.06Å; L104-V148 HydrophobicContact CD2-CG1 3.97Å; L104-V148 HydrophobicContact CD2-CG2 4.32Å; L104-V152 HydrophobicContact CD1-CG2 4.34Å
105I83.5Confident81Confident72 Ų7251.2 Ų51.237%0.36926%0.26SS..Hα-helixtrans-61.1-46.7176.1-71.5165.4000111.4L99 D101 L107 I108 V109L99-I105 WeakPolarHBondContact O-CG1 3.3Å; D101-I105 WeakPolarHBondContact O-CB 3.24Å; D101-I105 WeakPolarHBondContact O-CD1 3.37Å; D101-I105 WeakPolarHBondContact O-CG1 3.48Å; D101-I105 PolarHBondContact O-N 2.83Å; I105-L107 VanDerWaalsContact C-N 3.29Å; I105-L107 PolarHBondContact O-N 3.09Å; I105-I108 PolarHBondContact O-N 3.15Å; I105-V109 WeakPolarHBondContact O-CG2 3.24Å; I105-V109 PolarHBondContact O-N 3.15Å
106V75.3Confident80.7Confident62 Ų6252.9 Ų52.938%0.37628%0.277SS..Hα-helixtrans-62.5-40.1179.1170.50000110.7L102 T103 V109 A110 V411L102-V106 HydrophobicContact CD1-CG2 4.29Å; L102-V106 HydrophobicContact CG-CG2 4.48Å; L102-V106 WeakPolarHBondContact O-CB 3.47Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.28Å; L102-V106 PolarHBondContact O-N 3.35Å; T103-V106 PolarHBondContact O-N 3.01Å; V106-V109 PolarHBondContact O-N 2.66Å; V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 3.17Å; V106-V411 HydrophobicContact CG1-CB 4.5Å; V106-V411 HydrophobicContact CG1-CG1 3.97Å; V106-V411 HydrophobicContact CG1-CG2 3.63Å
107L74.6Confident79.8Confident1 Ų147 Ų471%0.00526%0.256CS..Hα-helixtrans-66-41.2176.6-172.563.8000112.6T103 L104 I105 A110 A111 I144 V148 V411 L889T103-L107 WeakPolarHBondContact O-CB 3.5Å; T103-L107 PolarHBondContact O-N 3.41Å; T103-L107 VanDerWaalsContact O-N 3.08Å; L104-L107 PolarHBondContact O-N 3.24Å; I105-L107 VanDerWaalsContact C-N 3.29Å; I105-L107 PolarHBondContact O-N 3.09Å; L107-A110 PolarHBondContact O-N 2.76Å; L107-A111 VanDerWaalsContact O-CB 3.31Å; L107-A111 WeakPolarHBondContact O-CB 3.38Å; L107-A111 PolarHBondContact O-N 3.36Å; L107-I144 HydrophobicContact CD1-CG2 3.86Å; L107-I144 HydrophobicContact CD2-CG2 4.31Å; L107-I144 HydrophobicContact CG-CG2 3.82Å; L107-V148 HydrophobicContact CD2-CG2 3.55Å; L107-V148 HydrophobicContact CG-CG2 4.04Å; L107-V411 HydrophobicContact CB-CG1 4.16Å; L107-V411 HydrophobicContact CD1-CG1 4.13Å; L107-L889 HydrophobicContact CD2-CD1 4.02Å; L107-L889 HydrophobicContact CD2-CD2 3.8Å; L107-L889 HydrophobicContact CD2-CG 4.5Å
108I84.4Confident79.3Confident37 Ų3744.7 Ų44.719%0.1925%0.246CC..Hα-helixtrans-60.7-46.7173.7-70162.9000110.7L99 L104 I105 A111 F112 L145 V148L99-I108 HydrophobicContact CD2-CD1 3.78Å; L104-I108 WeakPolarHBondContact O-CD1 3.14Å; L104-I108 VanDerWaalsContact O-CG1 3.23Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 3.06Å; I105-I108 PolarHBondContact O-N 3.15Å; I108-A111 PolarHBondContact O-N 3.26Å; I108-F112 HydrophobicContact CG2-CD2 3.86Å; I108-F112 HydrophobicContact CG2-CE2 4.08Å; I108-F112 WeakPolarHBondContact O-CD2 2.96Å; I108-F112 PolarHBondContact O-N 3.41Å; I108-L145 HydrophobicContact CG2-CD2 4.17Å; I108-V148 HydrophobicContact CD1-CG1 3.89Å; I108-V148 HydrophobicContact CG1-CG1 3.75Å
109V84Confident79.2Confident77 Ų7747.3 Ų47.347%0.46726%0.258SS..Hα-helixtrans-62.4-44.7178.7170.50000110.8I105 V106 A111 F112 I113I105-V109 WeakPolarHBondContact O-CG2 3.24Å; I105-V109 PolarHBondContact O-N 3.15Å; V106-V109 PolarHBondContact O-N 2.66Å; V109-A111 PolarHBondContact O-N 2.9Å; V109-F112 PolarHBondContact O-N 3.36Å; V109-I113 HydrophobicContact CG1-CD1 3.81Å; V109-I113 VanDerWaalsContact O-CG1 3.29Å; V109-I113 WeakPolarHBondContact O-CG1 3.18Å; V109-I113 PolarHBondContact O-N 3.3Å
110A75.1Confident78.6Confident11 Ų1151.4 Ų51.49%0.09127%0.27CS..Hα-helixtrans-64.2-39.9177.400000112.4V106 L107 I113 S114 I408V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 3.17Å; L107-A110 PolarHBondContact O-N 2.76Å; A110-I113 PolarHBondContact O-N 2.88Å; A110-S114 WeakPolarHBondContact O-CB 3.46Å; A110-S114 PolarHBondContact O-N 2.93Å; A110-I408 HydrophobicContact CB-CD1 4.46Å; A110-I408 HydrophobicContact CB-CG1 3.76Å
111A80.6Confident77.8Confident0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-64.2-42175.100000112.4L107 I108 V109 S114 L115 I144 L145L107-A111 VanDerWaalsContact O-CB 3.31Å; L107-A111 WeakPolarHBondContact O-CB 3.38Å; L107-A111 PolarHBondContact O-N 3.36Å; I108-A111 PolarHBondContact O-N 3.26Å; V109-A111 PolarHBondContact O-N 2.9Å; A111-S114 PolarHBondContact O-N 2.74Å; A111-L115 VanDerWaalsContact O-CB 3.3Å; A111-L115 WeakPolarHBondContact O-CB 3.26Å; A111-L115 PolarHBondContact O-N 2.7Å; A111-I144 HydrophobicContact CB-CB 3.98Å; A111-I144 HydrophobicContact CB-CG2 3.72Å; A111-L145 HydrophobicContact CB-CD2 4.05Å; A111-L145 HydrophobicContact CB-CG 3.91Å
112F85.8Confident77.2Confident120 Ų12052.3 Ų52.353%0.52627%0.272SS..Hα-helixtrans-62.4-40.5172.8-96.9-76.6000112.5I108 V109 A116 L145I108-F112 HydrophobicContact CG2-CD2 3.86Å; I108-F112 HydrophobicContact CG2-CE2 4.08Å; I108-F112 WeakPolarHBondContact O-CD2 2.96Å; I108-F112 PolarHBondContact O-N 3.41Å; V109-F112 PolarHBondContact O-N 3.36Å; F112-A116 VanDerWaalsContact O-CB 3.24Å; F112-A116 WeakPolarHBondContact O-CB 3.31Å; F112-A116 PolarHBondContact O-N 3.43Å; F112-L145 HydrophobicContact CD2-CD1 4.47Å; F112-L145 HydrophobicContact CD2-CD2 4Å; F112-L145 HydrophobicContact CE2-CD1 4.3Å; F112-L145 HydrophobicContact CE2-CD2 3.92Å
113I80.5Confident76.9Confident82 Ų8256.3 Ų56.342%0.42128%0.28SS..Hα-helixtrans-66.7-43.8176.8-67.8165.4000110.9V109 A110 A116 L117 V404V109-I113 HydrophobicContact CG1-CD1 3.81Å; V109-I113 VanDerWaalsContact O-CG1 3.29Å; V109-I113 WeakPolarHBondContact O-CG1 3.18Å; V109-I113 PolarHBondContact O-N 3.3Å; A110-I113 PolarHBondContact O-N 2.88Å; I113-A116 PolarHBondContact O-N 3.34Å; I113-L117 HydrophobicContact CG2-CD1 3.89Å; I113-L117 HydrophobicContact CG2-CG 4.48Å; I113-L117 WeakPolarHBondContact O-CB 3.4Å; I113-L117 WeakPolarHBondContact O-CG 3.36Å; I113-L117 PolarHBondContact O-N 3.03Å; I113-V404 HydrophobicContact CG2-CG1 4.11Å; I113-V404 HydrophobicContact CG2-CG2 3.94Å
114S76.6Confident76.3Confident0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-64.2-41.3176.6175.50000112.4A110 A111 L117 S118A110-S114 WeakPolarHBondContact O-CB 3.46Å; A110-S114 PolarHBondContact O-N 2.93Å; A111-S114 PolarHBondContact O-N 2.74Å; S114-L117 PolarHBondContact O-N 3.44Å; S114-S118 VanDerWaalsContact O-CB 3.3Å; S114-S118 WeakPolarHBondContact O-CB 3.42Å; S114-S118 PolarHBondContact O-N 2.86Å; S114-S118 PolarHBondContact O-OG 2.85Å
115L82.9Confident75Confident32 Ų3261.4 Ų61.417%0.16831%0.313CS..Hα-helixtrans-62.8-45.3173.4-175.864.3000111.4A111 S118 L119 W138 L145A111-L115 VanDerWaalsContact O-CB 3.3Å; A111-L115 WeakPolarHBondContact O-CB 3.26Å; A111-L115 PolarHBondContact O-N 2.7Å; L115-S118 PolarHBondContact O-N 2.95Å; L115-L119 HydrophobicContact CD1-CD1 4.48Å; L115-L119 HydrophobicContact CG-CD1 4.22Å; L115-L119 WeakPolarHBondContact O-CB 3.4Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.34Å; L115-L119 PolarHBondContact O-N 3.06Å; L115-W138 HydrophobicContact CD1-CB 4Å; L115-L145 HydrophobicContact CD2-CD1 4.34Å
116A80.9Confident72.9Confident58 Ų5861.3 Ų61.348%0.47932%0.323SS..Hα-helixtrans-64.3-42178.400000112.7F112 I113 L119 Y120F112-A116 VanDerWaalsContact O-CB 3.24Å; F112-A116 WeakPolarHBondContact O-CB 3.31Å; F112-A116 PolarHBondContact O-N 3.43Å; I113-A116 PolarHBondContact O-N 3.34Å; A116-L119 PolarHBondContact O-N 3.35Å; A116-Y120 VanDerWaalsContact O-CB 3.31Å; A116-Y120 WeakPolarHBondContact O-CB 3.13Å; A116-Y120 PolarHBondContact O-N 3.48Å
117L73Confident71.3Confident23 Ų2364.8 Ų64.812%0.1235%0.347CS..Hα-helixtrans-65.3-40.8174.7-77.2167.3000112I113 S114 Y120 I121 L400 V404I113-L117 HydrophobicContact CG2-CD1 3.89Å; I113-L117 HydrophobicContact CG2-CG 4.48Å; I113-L117 WeakPolarHBondContact O-CB 3.4Å; I113-L117 WeakPolarHBondContact O-CG 3.36Å; I113-L117 PolarHBondContact O-N 3.03Å; S114-L117 PolarHBondContact O-N 3.44Å; L117-Y120 PolarHBondContact O-N 2.89Å; L117-I121 WeakPolarHBondContact O-CG1 3.42Å; L117-I121 PolarHBondContact O-N 2.86Å; L117-L400 HydrophobicContact CD1-CG 4.32Å; L117-L400 HydrophobicContact CD2-CD2 4.02Å; L117-L400 HydrophobicContact CD2-CG 4.38Å; L117-V404 HydrophobicContact CD1-CB 4.14Å; L117-V404 HydrophobicContact CD1-CG1 4.4Å; L117-V404 HydrophobicContact CD1-CG2 3.72Å
118S73.9Confident69.9Low10 Ų1070.7 Ų70.77%0.0738%0.383CS..Hα-helixtrans-66.8-37.9178-61.20000112.1S114 L115 K122 G137S114-S118 VanDerWaalsContact O-CB 3.3Å; S114-S118 WeakPolarHBondContact O-CB 3.42Å; S114-S118 PolarHBondContact O-N 2.86Å; S114-S118 PolarHBondContact O-OG 2.85Å; L115-S118 PolarHBondContact O-N 2.95Å; S118-K122 WeakPolarHBondContact O-CB 3.35Å; S118-K122 PolarHBondContact O-N 2.75Å; S118-K122 VanDerWaalsContact O-N 3.16Å; S118-G137 PolarHBondContact OG-O 3.4Å
119L78Confident67.9Low74 Ų7473.6 Ų73.639%0.38740%0.395SS..Hα-helixtrans-68.2-40.5170.6-69.5170.6000111.9L115 A116 I121 K122 Y123L115-L119 HydrophobicContact CD1-CD1 4.48Å; L115-L119 HydrophobicContact CG-CD1 4.22Å; L115-L119 WeakPolarHBondContact O-CB 3.4Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.34Å; L115-L119 PolarHBondContact O-N 3.06Å; A116-L119 PolarHBondContact O-N 3.35Å; L119-I121 PolarHBondContact O-N 3.48Å; L119-K122 PolarHBondContact O-N 3.03Å; L119-Y123 HydrophobicContact CD2-CE2 4.28Å; L119-Y123 WeakPolarHBondContact O-CD2 3.48Å; L119-Y123 PolarHBondContact O-N 2.88Å
120Y74Confident66Low144 Ų14476.2 Ų76.257%0.56541%0.406SS*.Hα-helixtrans-62.3-43177.8-179.6-100000112.2A116 L117 Y123 G124A116-Y120 VanDerWaalsContact O-CB 3.31Å; A116-Y120 WeakPolarHBondContact O-CB 3.13Å; A116-Y120 PolarHBondContact O-N 3.48Å; L117-Y120 PolarHBondContact O-N 2.89Å; Y120-Y123 PolarHBondContact O-N 3.33Å; Y120-G124 WeakPolarHBondContact O-CA 3.17Å; Y120-G124 PolarHBondContact O-N 3.28Å
121I67.9Low64.6Low51 Ų5183.8 Ų83.826%0.26244%0.44SS..Hα-helixtrans-63.6-42.8174.8-67.9161.4000110.4L117 L119 Y123 K401L117-I121 WeakPolarHBondContact O-CG1 3.42Å; L117-I121 PolarHBondContact O-N 2.86Å; L119-I121 PolarHBondContact O-N 3.48Å; I121-Y123 VanDerWaalsContact C-N 3.33Å; I121-Y123 PolarHBondContact O-N 2.89Å; I121-K401 HydrophobicContact CD1-CB 4.22Å; I121-K401 HydrophobicContact CD1-CD 3.83Å
122K66.6Low62.9Low104 Ų10487.4 Ų87.445%0.45247%0.465SS..Hα-helixtrans-64.3-30.4-180-172173.6-176.2174.30114.4S118 L119S118-K122 WeakPolarHBondContact O-CB 3.35Å; S118-K122 PolarHBondContact O-N 2.75Å; S118-K122 VanDerWaalsContact O-N 3.16Å; L119-K122 PolarHBondContact O-N 3.03Å
123Y67.1Low60.9Low189 Ų18986.3 Ų86.374%0.74146%0.461SS*.Hα-helixtrans-111.2-10.4-176.9-74.2-76.7000114.7L119 Y120 I121L119-Y123 HydrophobicContact CD2-CE2 4.28Å; L119-Y123 WeakPolarHBondContact O-CD2 3.48Å; L119-Y123 PolarHBondContact O-N 2.88Å; Y120-Y123 PolarHBondContact O-N 3.33Å; I121-Y123 VanDerWaalsContact C-N 3.33Å; I121-Y123 PolarHBondContact O-N 2.89Å
124G59.4Low59.4Low39 Ų3983.9 Ų83.940%0.40246%0.456SS..Hα-helixtrans-112-8.5-163.100000117.1Y120Y120-G124 WeakPolarHBondContact O-CA 3.17Å; Y120-G124 PolarHBondContact O-N 3.28Å
125Q50.8Low58.3Low103 Ų10390.3 Ų90.348%0.48149%0.486SS..SBendtrans-127.2145.2174.7-72.9-173.6-78.600111.9
126A38.9Very low57.2Low71 Ų7190.2 Ų90.259%0.58749%0.49SS*.  trans-63.4158.9-176.900000112.3T128A126-T128 VanDerWaalsContact C-N 3.26Å; A126-T128 PolarHBondContact O-N 3.14Å
127P43.3Very low56.4Low134 Ų13488 Ų8887%0.8747%0.473SS*.SBendtrans-78.463.8-161.833.6-38.3000113.7
128T44.8Very low56.6Low125 Ų12591.7 Ų91.777%0.76749%0.485SS*.  trans-122.415.4177.258.40000112.8A126A126-T128 VanDerWaalsContact C-N 3.26Å; A126-T128 PolarHBondContact O-N 3.14Å
129F42.7Very low56.7Low98 Ų9893.2 Ų93.243%0.4349%0.492SS..SBendtrans-114143.4172.6-89.9-97.7000109.7E131F129-E131 PolarHBondContact O-N 3.07Å
130D44.2Very low56.4Low132 Ų13291.3 Ų91.371%0.70648%0.481SS*.  trans-51.4124.6-179.1-78.8-52000111.9S132 E133D130-S132 PolarHBondContact O-N 3.45Å; D130-E133 PolarHBondContact O-N 3.28Å
131E44Very low56.6Low171 Ų17184.4 Ų84.480%0.79945%0.454SS*.Hα-helixtrans-58.7-19.2-176.2-65.6-16813200113.1F129F129-E131 PolarHBondContact O-N 3.07Å
132S45.7Very low57.4Low76 Ų7685 Ų8553%0.53146%0.458SS..Hα-helixtrans-69-42.7175.7-162.90000113.2D130 G134 Q135D130-S132 PolarHBondContact O-N 3.45Å; S132-G134 VanDerWaalsContact C-N 3.27Å; S132-G134 PolarHBondContact O-N 3.33Å; S132-Q135 PolarHBondContact O-N 2.95Å
133E43.9Very low58.1Low97 Ų9780.8 Ų80.845%0.45344%0.442SS..Hα-helixtrans-65.2-30.8-175.1-72.4-156.314000112.8D130D130-E133 PolarHBondContact O-N 3.28Å
134G48.7Very low58.8Low30 Ų3071.8 Ų71.831%0.30941%0.406SS..Hα-helixtrans-78.9-20.6-177.300000115.2S132S132-G134 VanDerWaalsContact C-N 3.27Å; S132-G134 PolarHBondContact O-N 3.33Å
135Q53.7Low60Low135 Ų13571.6 Ų71.663%0.63140%0.396SS*.Hα-helixtrans-82.2-34.3-173.3-71-168.925.900113.6S132 W138S132-Q135 PolarHBondContact O-N 2.95Å; Q135-W138 PolarHBondContact O-NE1 2.94Å
136A59.7Low61.8Low30 Ų3071.3 Ų71.325%0.24840%0.397CS..Hα-helixtrans-94.7-23.6-176.900000114.7W138 I139 Y1029A136-W138 VanDerWaalsContact C-N 3.29Å; A136-W138 PolarHBondContact O-N 3.26Å; A136-W138 VanDerWaalsContact O-N 3.09Å; A136-I139 HydrophobicContact CB-CD1 4.43Å; A136-I139 VanDerWaalsContact O-CB 3.25Å; A136-I139 WeakPolarHBondContact O-CB 3.47Å; A136-I139 WeakPolarHBondContact O-CG1 3.4Å; A136-I139 PolarHBondContact O-N 3.49Å; A136-Y1029 HydrophobicContact CB-CD1 4.32Å; A136-Y1029 HydrophobicContact CB-CE1 4.49Å
137G63.6Low63.8Low11 Ų1168.8 Ų68.811%0.11338%0.376CS..Hα-helixtrans-59.1-29-167.900000116.6S118 I139S118-G137 PolarHBondContact OG-O 3.4Å; G137-I139 VanDerWaalsContact C-N 3.32Å
138W76.7Confident65.7Low101 Ų10162.7 Ų62.738%0.38334%0.336SS..Hα-helixtrans-74.7-20.6176.767.9-78.3000113.5L115 Q135 A136 L142L115-W138 HydrophobicContact CD1-CB 4Å; Q135-W138 PolarHBondContact O-NE1 2.94Å; A136-W138 VanDerWaalsContact C-N 3.29Å; A136-W138 PolarHBondContact O-N 3.26Å; A136-W138 VanDerWaalsContact O-N 3.09Å; W138-L142 HydrophobicContact CE3-CD2 4.1Å; W138-L142 HydrophobicContact CZ3-CD2 3.53Å; W138-L142 PolarHBondContact O-N 2.91Å
139I77.5Confident67.7Low43 Ų4362.6 Ų62.622%0.22133%0.326CS..Hα-helixtrans-66.5-40.3-177.1-57.7175.7000110.1A136 G137 L142 A143A136-I139 HydrophobicContact CB-CD1 4.43Å; A136-I139 VanDerWaalsContact O-CB 3.25Å; A136-I139 WeakPolarHBondContact O-CB 3.47Å; A136-I139 WeakPolarHBondContact O-CG1 3.4Å; A136-I139 PolarHBondContact O-N 3.49Å; G137-I139 VanDerWaalsContact C-N 3.32Å; I139-L142 PolarHBondContact O-N 3.45Å; I139-A143 WeakPolarHBondContact O-CB 3.47Å; I139-A143 PolarHBondContact O-N 2.98Å
140E71.5Confident69.8Low33 Ų3360.9 Ų60.915%0.15432%0.323CS..Hα-helixtrans-59.4-50.5-179.3-173.8170.3-146.200111.6L142 A143 I144 N405E140-L142 PolarHBondContact O-N 3.44Å; E140-A143 PolarHBondContact O-N 2.93Å; E140-I144 WeakPolarHBondContact O-CG1 3.03Å; E140-I144 PolarHBondContact O-N 3.27Å; E140-I144 VanDerWaalsContact O-N 3.14Å; E140-N405 PolarHBondContact OE2-ND2 3.22Å
141G77.9Confident71.4Confident0 Ų055.7 Ų55.70%030%0.296CS..Hα-helixtrans-64.4-39.2177.400000113.6L145G141-L145 PolarHBondContact O-N 3.49Å
142L85.1Confident73.3Confident64 Ų6447.6 Ų47.634%0.33526%0.259SS..Hα-helixtrans-70.1-41.2176.8179.661.4000112.3W138 I139 E140 I144 L145 I146W138-L142 HydrophobicContact CE3-CD2 4.1Å; W138-L142 HydrophobicContact CZ3-CD2 3.53Å; W138-L142 PolarHBondContact O-N 2.91Å; I139-L142 PolarHBondContact O-N 3.45Å; E140-L142 PolarHBondContact O-N 3.44Å; L142-I144 VanDerWaalsContact C-N 3.3Å; L142-I144 PolarHBondContact O-N 3.25Å; L142-L145 WeakPolarHBondContact O-CB 3.29Å; L142-L145 PolarHBondContact O-N 3.47Å; L142-L145 VanDerWaalsContact O-N 3.11Å; L142-I146 HydrophobicContact CD1-CD1 4.26Å; L142-I146 HydrophobicContact CD1-CG1 4.34Å; L142-I146 HydrophobicContact CD2-CD1 4.43Å; L142-I146 HydrophobicContact CG-CD1 3.94Å; L142-I146 HydrophobicContact CG-CG1 4.43Å; L142-I146 WeakPolarHBondContact O-CG1 3.34Å; L142-I146 PolarHBondContact O-N 2.88Å
143A81.6Confident75.4Confident14 Ų1447.9 Ų47.912%0.11625%0.25CS..Hα-helixtrans-64.9-34.6179.900000111.6I139 E140 I146 A147 I886I139-A143 WeakPolarHBondContact O-CB 3.47Å; I139-A143 PolarHBondContact O-N 2.98Å; E140-A143 PolarHBondContact O-N 2.93Å; A143-I146 PolarHBondContact O-N 2.92Å; A143-A147 VanDerWaalsContact O-CB 3.28Å; A143-A147 WeakPolarHBondContact O-CB 3.4Å; A143-A147 PolarHBondContact O-N 3.06Å; A143-I886 HydrophobicContact CB-CD1 3.49Å; A143-I886 VanDerWaalsContact CB-CD1 3.49Å; A143-I886 HydrophobicContact CB-CG1 3.89Å
144I80.6Confident77.1Confident0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-62.4-44.4170-64.1164.5000111.1L107 A111 E140 L142 I146 A147 V148 I408 A885 I886 L889L107-I144 HydrophobicContact CD1-CG2 3.86Å; L107-I144 HydrophobicContact CD2-CG2 4.31Å; L107-I144 HydrophobicContact CG-CG2 3.82Å; A111-I144 HydrophobicContact CB-CB 3.98Å; A111-I144 HydrophobicContact CB-CG2 3.72Å; E140-I144 WeakPolarHBondContact O-CG1 3.03Å; E140-I144 PolarHBondContact O-N 3.27Å; E140-I144 VanDerWaalsContact O-N 3.14Å; L142-I144 VanDerWaalsContact C-N 3.3Å; L142-I144 PolarHBondContact O-N 3.25Å; I144-I146 PolarHBondContact O-N 2.9Å; I144-A147 PolarHBondContact O-N 3.24Å; I144-V148 HydrophobicContact CG2-CG2 4.44Å; I144-V148 WeakPolarHBondContact O-CB 3.23Å; I144-V148 WeakPolarHBondContact O-CG2 3.29Å; I144-V148 PolarHBondContact O-N 3.12Å; I144-I408 HydrophobicContact CD1-CG2 3.97Å; I144-A885 HydrophobicContact CD1-CB 4.05Å; I144-A885 HydrophobicContact CG1-CB 4.24Å; I144-I886 HydrophobicContact CG1-CD1 4.43Å; I144-I886 HydrophobicContact CG1-CG1 4.04Å; I144-L889 HydrophobicContact CG2-CD1 4.47Å
145L85.8Confident78.2Confident36 Ų3645.3 Ų45.319%0.18824%0.235CC..Hα-helixtrans-62.2-40.9176.9-72.6169.9000112.4I108 A111 F112 L115 G141 L142 F149I108-L145 HydrophobicContact CG2-CD2 4.17Å; A111-L145 HydrophobicContact CB-CD2 4.05Å; A111-L145 HydrophobicContact CB-CG 3.91Å; F112-L145 HydrophobicContact CD2-CD1 4.47Å; F112-L145 HydrophobicContact CD2-CD2 4Å; F112-L145 HydrophobicContact CE2-CD1 4.3Å; F112-L145 HydrophobicContact CE2-CD2 3.92Å; L115-L145 HydrophobicContact CD2-CD1 4.34Å; G141-L145 PolarHBondContact O-N 3.49Å; L142-L145 WeakPolarHBondContact O-CB 3.29Å; L142-L145 PolarHBondContact O-N 3.47Å; L142-L145 VanDerWaalsContact O-N 3.11Å; L145-F149 PolarHBondContact O-N 3.07Å
146I87Confident79.7Confident96 Ų9638.9 Ų38.949%0.49221%0.205SC..Hα-helixtrans-66.6-44.8176-66.1170.9000110.6L142 A143 I144 V148 F149 V150L142-I146 HydrophobicContact CD1-CD1 4.26Å; L142-I146 HydrophobicContact CD1-CG1 4.34Å; L142-I146 HydrophobicContact CD2-CD1 4.43Å; L142-I146 HydrophobicContact CG-CD1 3.94Å; L142-I146 HydrophobicContact CG-CG1 4.43Å; L142-I146 WeakPolarHBondContact O-CG1 3.34Å; L142-I146 PolarHBondContact O-N 2.88Å; A143-I146 PolarHBondContact O-N 2.92Å; I144-I146 PolarHBondContact O-N 2.9Å; I146-V148 PolarHBondContact O-N 3.17Å; I146-F149 WeakPolarHBondContact O-CB 3.41Å; I146-F149 PolarHBondContact O-N 3.29Å; I146-V150 WeakPolarHBondContact O-CG2 3.1Å; I146-V150 PolarHBondContact O-N 2.63Å
147A81.5Confident80.8Confident19 Ų1940.2 Ų40.216%0.15721%0.207CC..Hα-helixtrans-59.7-44.8176.900000111.6A143 I144 F149 V150 V151 L889A143-A147 VanDerWaalsContact O-CB 3.28Å; A143-A147 WeakPolarHBondContact O-CB 3.4Å; A143-A147 PolarHBondContact O-N 3.06Å; I144-A147 PolarHBondContact O-N 3.24Å; A147-F149 PolarHBondContact O-N 2.88Å; A147-V150 PolarHBondContact O-N 2.82Å; A147-V151 WeakPolarHBondContact O-CG2 3.42Å; A147-V151 PolarHBondContact O-N 3.01Å; A147-L889 HydrophobicContact CB-CD1 3.9Å
148V83.4Confident81.2Confident5 Ų540 Ų403%0.0320%0.204CC..Hα-helixtrans-59.5-43.9174166.50000111.7L104 L107 I108 I144 I146 V150 V151 V152L104-V148 HydrophobicContact CD2-CG1 3.97Å; L104-V148 HydrophobicContact CD2-CG2 4.32Å; L107-V148 HydrophobicContact CD2-CG2 3.55Å; L107-V148 HydrophobicContact CG-CG2 4.04Å; I108-V148 HydrophobicContact CD1-CG1 3.89Å; I108-V148 HydrophobicContact CG1-CG1 3.75Å; I144-V148 HydrophobicContact CG2-CG2 4.44Å; I144-V148 WeakPolarHBondContact O-CB 3.23Å; I144-V148 WeakPolarHBondContact O-CG2 3.29Å; I144-V148 PolarHBondContact O-N 3.12Å; I146-V148 PolarHBondContact O-N 3.17Å; V148-V150 PolarHBondContact O-N 3.36Å; V148-V151 PolarHBondContact O-N 3.02Å; V148-V152 HydrophobicContact CG1-CG2 4.37Å; V148-V152 WeakPolarHBondContact O-CB 3.44Å; V148-V152 WeakPolarHBondContact O-CG2 3.47Å; V148-V152 PolarHBondContact O-N 3.39Å
149F87.9Confident81Confident123 Ų12337.6 Ų37.654%0.53920%0.199SC..Hα-helixtrans-60.8-43.2176.1176.4-94.5000112.3M95 L145 I146 A147 V152 F153M95-F149 HydrophobicContact CE-CD2 4.46Å; M95-F149 HydrophobicContact CE-CE2 3.79Å; M95-F149 HydrophobicContact CE-CZ 4.26Å; L145-F149 PolarHBondContact O-N 3.07Å; I146-F149 WeakPolarHBondContact O-CB 3.41Å; I146-F149 PolarHBondContact O-N 3.29Å; A147-F149 PolarHBondContact O-N 2.88Å; F149-V152 PolarHBondContact O-N 3.41Å; F149-F153 VanDerWaalsContact O-CB 3.3Å; F149-F153 WeakPolarHBondContact O-CB 3.35Å; F149-F153 PolarHBondContact O-N 3.23Å
150V84.8Confident81.2Confident63 Ų6340.4 Ų40.438%0.38221%0.207SC..Hα-helixtrans-63.2-46.4176.5172.50000111I146 A147 V148 F153 V154 L893I146-V150 WeakPolarHBondContact O-CG2 3.1Å; I146-V150 PolarHBondContact O-N 2.63Å; A147-V150 PolarHBondContact O-N 2.82Å; V148-V150 PolarHBondContact O-N 3.36Å; V150-F153 PolarHBondContact O-N 2.77Å; V150-V154 HydrophobicContact CG1-CG2 4.39Å; V150-V154 WeakPolarHBondContact O-CG2 3.19Å; V150-V154 PolarHBondContact O-N 3.25Å; V150-L893 HydrophobicContact CG1-CD2 4.38Å
151V79.3Confident81.3Confident22 Ų2242.4 Ų42.413%0.13322%0.216CC..Hα-helixtrans-57.7-51.8176.4170.70000110.7A147 V148 F153 V154 V155 L893A147-V151 WeakPolarHBondContact O-CG2 3.42Å; A147-V151 PolarHBondContact O-N 3.01Å; V148-V151 PolarHBondContact O-N 3.02Å; V151-F153 VanDerWaalsContact C-N 3.31Å; V151-F153 PolarHBondContact O-N 3.04Å; V151-V154 PolarHBondContact O-N 3.04Å; V151-V155 HydrophobicContact CG1-CG2 4.37Å; V151-V155 WeakPolarHBondContact O-CB 3.41Å; V151-V155 VanDerWaalsContact O-CG2 3.3Å; V151-V155 WeakPolarHBondContact O-CG2 3.34Å; V151-V155 PolarHBondContact O-N 3.05Å; V151-L893 HydrophobicContact CG2-CD1 4.4Å
152V84.5Confident80.9Confident2 Ų244.7 Ų44.71%0.01223%0.226CC..Hα-helixtrans-57.1-42.5176.9164.60000111.9M95 A98 L99 L104 V148 F149 A156M95-V152 HydrophobicContact CB-CG1 4.29Å; M95-V152 HydrophobicContact CE-CG1 4.22Å; A98-V152 HydrophobicContact CB-CG1 4.27Å; L99-V152 HydrophobicContact CD1-CG1 4.31Å; L99-V152 HydrophobicContact CD2-CG1 4.42Å; L99-V152 HydrophobicContact CD2-CG2 3.86Å; L99-V152 HydrophobicContact CG-CG1 3.88Å; L99-V152 HydrophobicContact CG-CG2 4.05Å; L104-V152 HydrophobicContact CD1-CG2 4.34Å; V148-V152 HydrophobicContact CG1-CG2 4.37Å; V148-V152 WeakPolarHBondContact O-CB 3.44Å; V148-V152 WeakPolarHBondContact O-CG2 3.47Å; V148-V152 PolarHBondContact O-N 3.39Å; F149-V152 PolarHBondContact O-N 3.41Å; V152-A156 VanDerWaalsContact O-CB 3.28Å; V152-A156 WeakPolarHBondContact O-CB 3.42Å; V152-A156 PolarHBondContact O-N 3.03Å
153F88.4Confident80.4Confident82 Ų8243.7 Ų43.736%0.3622%0.219SC..Hα-helixtrans-64.6-45.5179-179.4-90.2000111.9F91 M95 F149 V150 V151 A156 L157F91-F153 HydrophobicContact CE1-CD2 4.04Å; F91-F153 AromaticContact CE1-CE2 3.77Å; F91-F153 HydrophobicContact CE1-CE2 3.77Å; F91-F153 AromaticContact CZ-CD2 3.77Å; F91-F153 HydrophobicContact CZ-CD2 3.77Å; F91-F153 AromaticContact CZ-CE2 3.58Å; F91-F153 HydrophobicContact CZ-CE2 3.58Å; F91-F153 HydrophobicContact CZ-CZ 4.2Å; M95-F153 HydrophobicContact CE-CB 4.44Å; M95-F153 HydrophobicContact CE-CD2 4.26Å; M95-F153 HydrophobicContact SD-CD2 4.4Å; F149-F153 VanDerWaalsContact O-CB 3.3Å; F149-F153 WeakPolarHBondContact O-CB 3.35Å; F149-F153 PolarHBondContact O-N 3.23Å; V150-F153 PolarHBondContact O-N 2.77Å; V151-F153 VanDerWaalsContact C-N 3.31Å; V151-F153 PolarHBondContact O-N 3.04Å; F153-A156 PolarHBondContact O-N 3.32Å; F153-L157 HydrophobicContact CE1-CD1 3.87Å; F153-L157 HydrophobicContact CZ-CD1 4.29Å; F153-L157 VanDerWaalsContact O-CB 3.29Å; F153-L157 WeakPolarHBondContact O-CB 3.44Å; F153-L157 PolarHBondContact O-N 3.43Å
154V79.2Confident80.1Confident35 Ų3551 Ų5121%0.21224%0.244CC..Hα-helixtrans-66.9-41.7178.6179.20000111V150 V151 L157 N158 L893 T897V150-V154 HydrophobicContact CG1-CG2 4.39Å; V150-V154 WeakPolarHBondContact O-CG2 3.19Å; V150-V154 PolarHBondContact O-N 3.25Å; V151-V154 PolarHBondContact O-N 3.04Å; V154-L157 PolarHBondContact O-N 3.2Å; V154-N158 PolarHBondContact O-N 3.29Å; V154-N158 PolarHBondContact O-ND2 3.12Å; V154-L893 HydrophobicContact CB-CD1 4.26Å; V154-L893 HydrophobicContact CG1-CD1 4.23Å; V154-T897 HydrophobicContact CG1-CG2 3.68Å
155V73.7Confident79.6Confident38 Ų3853.4 Ų53.423%0.2326%0.255CS..Hα-helixtrans-59.3-49.5174.3169.90000110.9A98 V151 L157 N158 D159A98-V155 HydrophobicContact CB-CG1 4.05Å; V151-V155 HydrophobicContact CG1-CG2 4.37Å; V151-V155 WeakPolarHBondContact O-CB 3.41Å; V151-V155 VanDerWaalsContact O-CG2 3.3Å; V151-V155 WeakPolarHBondContact O-CG2 3.34Å; V151-V155 PolarHBondContact O-N 3.05Å; V155-L157 VanDerWaalsContact C-N 3.3Å; V155-L157 PolarHBondContact O-N 3.29Å; V155-N158 PolarHBondContact O-N 2.98Å; V155-D159 PolarHBondContact O-N 2.89Å
156A84.4Confident78.7Confident0 Ų054.2 Ų54.20%026%0.257CS..Hα-helixtrans-63.3-34.417800000112.9F91 L94 M95 V152 F153 W160F91-A156 HydrophobicContact CE2-CB 3.98Å; F91-A156 HydrophobicContact CZ-CB 4.25Å; L94-A156 HydrophobicContact CB-CB 4.21Å; M95-A156 HydrophobicContact CB-CB 4.25Å; M95-A156 HydrophobicContact CG-CB 3.47Å; M95-A156 VanDerWaalsContact CG-CB 3.47Å; V152-A156 VanDerWaalsContact O-CB 3.28Å; V152-A156 WeakPolarHBondContact O-CB 3.42Å; V152-A156 PolarHBondContact O-N 3.03Å; F153-A156 PolarHBondContact O-N 3.32Å; A156-W160 VanDerWaalsContact O-CB 3.27Å; A156-W160 WeakPolarHBondContact O-CB 3.37Å; A156-W160 PolarHBondContact O-N 3.47Å
157L82.1Confident78Confident57 Ų5752.9 Ų52.930%0.29825%0.246SC..Hα-helixtrans-67.2-41.2176-171.6152.6000111.3F91 F153 V154 V155 W160 Q161F91-L157 HydrophobicContact CE2-CB 4.17Å; F153-L157 HydrophobicContact CE1-CD1 3.87Å; F153-L157 HydrophobicContact CZ-CD1 4.29Å; F153-L157 VanDerWaalsContact O-CB 3.29Å; F153-L157 WeakPolarHBondContact O-CB 3.44Å; F153-L157 PolarHBondContact O-N 3.43Å; V154-L157 PolarHBondContact O-N 3.2Å; V155-L157 VanDerWaalsContact C-N 3.3Å; V155-L157 PolarHBondContact O-N 3.29Å; L157-W160 PolarHBondContact O-N 2.82Å; L157-Q161 HydrophobicContact CD2-CG 4.32Å; L157-Q161 VanDerWaalsContact CD2-NE2 3.3Å; L157-Q161 WeakPolarHBondContact O-CG 3.28Å; L157-Q161 PolarHBondContact O-N 3.05Å
158N71.8Confident77.5Confident8 Ų854.2 Ų54.24%0.04326%0.262CS..Hα-helixtrans-65.7-45174.3-76.7-34.1000112.5V154 V155 W160 Q161 K162 L424 T897V154-N158 PolarHBondContact O-N 3.29Å; V154-N158 PolarHBondContact O-ND2 3.12Å; V155-N158 PolarHBondContact O-N 2.98Å; N158-W160 VanDerWaalsContact C-N 3.32Å; N158-W160 PolarHBondContact O-N 3.41Å; N158-Q161 PolarHBondContact O-N 3.11Å; N158-K162 VanDerWaalsContact O-CB 3.3Å; N158-K162 WeakPolarHBondContact O-CB 3.43Å; N158-K162 PolarHBondContact O-N 2.99Å; N158-L424 HydrophobicContact CB-CD1 4.21Å; N158-L424 HydrophobicContact CB-CD2 4.12Å; N158-T897 WeakPolarHBondContact ND2-CG2 3.29Å
159D73.4Confident76.7Confident50 Ų5054.9 Ų54.927%0.26727%0.265SS..Hα-helixtrans-66-33.6176.6-98.2-15.7000112.6L94 V155 K162 E163L94-D159 HydrophobicContact CD1-CB 4.49Å; L94-D159 HydrophobicContact CD2-CB 4.4Å; V155-D159 PolarHBondContact O-N 2.89Å; D159-K162 WeakPolarHBondContact O-CB 3.49Å; D159-K162 PolarHBondContact O-N 3.2Å; D159-K162 WeakPolarHBondContact OD1-CD 3.47Å; D159-K162 VanDerWaalsContact OD1-CE 3.25Å; D159-K162 WeakPolarHBondContact OD1-CE 3.33Å; D159-K162 IonicContact OD1-NZ 3.7Å; D159-K162 PolarHBondContact OD1-NZ 3.05Å; D159-E163 PolarHBondContact O-N 3.33Å
160W81.5Confident75.8Confident102 Ų10253 Ų5339%0.38626%0.258SS..Hα-helixtrans-67.4-44172.5179.878.8000112.3F91 L94 A156 L157 N158 K162 E163 R164F91-W160 HydrophobicContact CD2-CB 4.1Å; F91-W160 HydrophobicContact CD2-CG 4.3Å; L94-W160 HydrophobicContact CD1-CB 3.75Å; A156-W160 VanDerWaalsContact O-CB 3.27Å; A156-W160 WeakPolarHBondContact O-CB 3.37Å; A156-W160 PolarHBondContact O-N 3.47Å; L157-W160 PolarHBondContact O-N 2.82Å; N158-W160 VanDerWaalsContact C-N 3.32Å; N158-W160 PolarHBondContact O-N 3.41Å; W160-K162 VanDerWaalsContact C-N 3.29Å; W160-K162 PolarHBondContact O-N 3.15Å; W160-E163 PolarHBondContact O-N 3.03Å; W160-R164 WeakPolarHBondContact O-CB 3.32Å; W160-R164 PolarHBondContact O-N 3.06Å
161Q74.7Confident75.2Confident74 Ų7454.4 Ų54.435%0.34626%0.263SS..Hα-helixtrans-60.3-40.7173.8-75.6-169.321.700111.5L157 N158 R164 Q165L157-Q161 HydrophobicContact CD2-CG 4.32Å; L157-Q161 VanDerWaalsContact CD2-NE2 3.3Å; L157-Q161 WeakPolarHBondContact O-CG 3.28Å; L157-Q161 PolarHBondContact O-N 3.05Å; N158-Q161 PolarHBondContact O-N 3.11Å; Q161-R164 PolarHBondContact O-N 3.3Å; Q161-Q165 WeakPolarHBondContact O-CG 3.34Å; Q161-Q165 PolarHBondContact O-N 3.01Å
162K69.4Low74.8Confident49 Ų4957.4 Ų57.421%0.21327%0.274CS..Hα-helixtrans-60.7-50.1174.9165.6179.8138.1-169.70112.1N158 D159 W160 R164 Q165 F166 T427N158-K162 VanDerWaalsContact O-CB 3.3Å; N158-K162 WeakPolarHBondContact O-CB 3.43Å; N158-K162 PolarHBondContact O-N 2.99Å; D159-K162 WeakPolarHBondContact O-CB 3.49Å; D159-K162 PolarHBondContact O-N 3.2Å; D159-K162 WeakPolarHBondContact OD1-CD 3.47Å; D159-K162 VanDerWaalsContact OD1-CE 3.25Å; D159-K162 WeakPolarHBondContact OD1-CE 3.33Å; D159-K162 IonicContact OD1-NZ 3.7Å; D159-K162 PolarHBondContact OD1-NZ 3.05Å; W160-K162 VanDerWaalsContact C-N 3.29Å; W160-K162 PolarHBondContact O-N 3.15Å; K162-R164 VanDerWaalsContact C-N 3.32Å; K162-R164 PolarHBondContact O-N 3.06Å; K162-Q165 PolarHBondContact O-N 3.45Å; K162-F166 HydrophobicContact CD-CE2 4.42Å; K162-F166 HydrophobicContact CG-CD2 4.01Å; K162-F166 HydrophobicContact CG-CE2 3.57Å; K162-F166 WeakPolarHBondContact O-CD2 3.26Å; K162-F166 PolarHBondContact O-N 2.95Å; K162-T427 HydrophobicContact CD-CG2 3.52Å; K162-T427 HydrophobicContact CG-CG2 3.96Å
163E72.7Confident74Confident42 Ų4259 Ų5920%0.19628%0.283CS..Hα-helixtrans-62.5-39.9176.4-169.5176.4163.600111.6A88 K89 D159 W160 Q165 F166 R167A88-E163 VanDerWaalsContact CA-OE1 3.28Å; A88-E163 WeakPolarHBondContact CA-OE1 3.24Å; K89-E163 PolarHBondContact N-OE1 3.13Å; K89-E163 PolarHBondContact N-OE2 3.49Å; D159-E163 PolarHBondContact O-N 3.33Å; W160-E163 PolarHBondContact O-N 3.03Å; E163-Q165 VanDerWaalsContact C-N 3.33Å; E163-Q165 PolarHBondContact O-N 3.47Å; E163-F166 PolarHBondContact O-N 2.87Å; E163-R167 PolarHBondContact O-N 3.06Å; E163-R167 IonicContact OE1-CZ 2.76Å; E163-R167 VanDerWaalsContact OE1-CZ 3.27Å; E163-R167 IonicContact OE1-NE 2.67Å; E163-R167 PolarHBondContact OE1-NE 3.09Å; E163-R167 IonicContact OE1-NH2 3.79Å; E163-R167 PolarHBondContact OE1-NH2 3.43Å
164R76.8Confident73.1Confident169 Ų16959.1 Ų59.164%0.63828%0.284SS*.Hα-helixtrans-60.6-39.2175-175.5179.2177.1-168.50112.5W160 Q161 K162 G168W160-R164 WeakPolarHBondContact O-CB 3.32Å; W160-R164 PolarHBondContact O-N 3.06Å; Q161-R164 PolarHBondContact O-N 3.3Å; K162-R164 VanDerWaalsContact C-N 3.32Å; K162-R164 PolarHBondContact O-N 3.06Å; R164-G168 PolarHBondContact O-N 3.33Å; R164-G168 VanDerWaalsContact O-N 3.14Å
165Q68.7Low72.7Confident49 Ų4959.9 Ų59.923%0.22929%0.291CS..Hα-helixtrans-66.5-43175.4-73-178.43200111.8Q161 K162 E163 G168 L169Q161-Q165 WeakPolarHBondContact O-CG 3.34Å; Q161-Q165 PolarHBondContact O-N 3.01Å; K162-Q165 PolarHBondContact O-N 3.45Å; E163-Q165 VanDerWaalsContact C-N 3.33Å; E163-Q165 PolarHBondContact O-N 3.47Å; Q165-G168 PolarHBondContact O-N 3.49Å; Q165-L169 PolarHBondContact O-N 2.88Å; Q165-L169 VanDerWaalsContact O-N 3.16Å
166F67.9Low72.6Confident53 Ų5361.8 Ų61.823%0.23230%0.297CS..Hα-helixtrans-63.4-42.7177.1-72.9-53000113.1K162 E163 G168 L169 Q170 T427 A431 L447K162-F166 HydrophobicContact CD-CE2 4.42Å; K162-F166 HydrophobicContact CG-CD2 4.01Å; K162-F166 HydrophobicContact CG-CE2 3.57Å; K162-F166 WeakPolarHBondContact O-CD2 3.26Å; K162-F166 PolarHBondContact O-N 2.95Å; E163-F166 PolarHBondContact O-N 2.87Å; F166-G168 VanDerWaalsContact C-N 3.32Å; F166-G168 PolarHBondContact O-N 3.23Å; F166-L169 HydrophobicContact CD1-CD1 4.43Å; F166-L169 WeakPolarHBondContact O-CB 3.39Å; F166-L169 PolarHBondContact O-N 3.18Å; F166-L169 VanDerWaalsContact O-N 3.17Å; F166-Q170 PolarHBondContact O-N 3.15Å; F166-T427 HydrophobicContact CE2-CG2 3.76Å; F166-T427 HydrophobicContact CZ-CG2 3.68Å; F166-A431 HydrophobicContact CE1-CB 4.22Å; F166-A431 HydrophobicContact CZ-CB 4.15Å; F166-L447 HydrophobicContact CD1-CD1 4.03Å; F166-L447 HydrophobicContact CD1-CD2 4.34Å; F166-L447 HydrophobicContact CE1-CD1 3.3Å; F166-L447 HydrophobicContact CE1-CD2 3.77Å; F166-L447 HydrophobicContact CE1-CG 4.18Å; F166-L447 HydrophobicContact CZ-CD1 3.79Å
167R71.9Confident72.2Confident69 Ų6964.3 Ų64.326%0.2631%0.309SS..Hα-helixtrans-64.1-36.7175.6-69.5-179179.8-83.8-6.8112.3Q86 R87 A88 E163 L169 Q170 N171Q86-R167 PolarHBondContact O-NH1 3.01Å; Q86-R167 PolarHBondContact O-NH2 3.26Å; R87-R167 PolarHBondContact O-NH2 3.16Å; A88-R167 VanDerWaalsContact CA-NH2 3.27Å; E163-R167 PolarHBondContact O-N 3.06Å; E163-R167 IonicContact OE1-CZ 2.76Å; E163-R167 VanDerWaalsContact OE1-CZ 3.27Å; E163-R167 IonicContact OE1-NE 2.67Å; E163-R167 PolarHBondContact OE1-NE 3.09Å; E163-R167 IonicContact OE1-NH2 3.79Å; E163-R167 PolarHBondContact OE1-NH2 3.43Å; R167-L169 VanDerWaalsContact C-N 3.28Å; R167-L169 PolarHBondContact O-N 3.29Å; R167-Q170 PolarHBondContact O-N 2.92Å; R167-N171 WeakPolarHBondContact O-CB 3.33Å; R167-N171 PolarHBondContact O-N 3.34Å; R167-N171 PolarHBondContact O-OD1 3.27Å
168G72.4Confident72.3Confident47 Ų4763.5 Ų63.549%0.48531%0.306SS..Hα-helixtrans-62.6-32173.500000114R164 Q165 F166R164-G168 PolarHBondContact O-N 3.33Å; R164-G168 VanDerWaalsContact O-N 3.14Å; Q165-G168 PolarHBondContact O-N 3.49Å; F166-G168 VanDerWaalsContact C-N 3.32Å; F166-G168 PolarHBondContact O-N 3.23Å
169L65Low73.2Confident18 Ų1863.2 Ų63.29%0.09431%0.305CS..Hα-helixtrans-74.9-48.9173.4-69.4164.9000111.3Q165 F166 R167 N171 K172 I173 V434 M438Q165-L169 PolarHBondContact O-N 2.88Å; Q165-L169 VanDerWaalsContact O-N 3.16Å; F166-L169 HydrophobicContact CD1-CD1 4.43Å; F166-L169 WeakPolarHBondContact O-CB 3.39Å; F166-L169 PolarHBondContact O-N 3.18Å; F166-L169 VanDerWaalsContact O-N 3.17Å; R167-L169 VanDerWaalsContact C-N 3.28Å; R167-L169 PolarHBondContact O-N 3.29Å; L169-N171 PolarHBondContact O-N 3.48Å; L169-K172 PolarHBondContact O-N 2.98Å; L169-I173 WeakPolarHBondContact O-CG1 3.32Å; L169-I173 PolarHBondContact O-N 3.26Å; L169-V434 HydrophobicContact CD1-CB 4.32Å; L169-V434 HydrophobicContact CD1-CG1 3.63Å; L169-V434 HydrophobicContact CD2-CG1 3.89Å; L169-V434 HydrophobicContact CG-CG1 4.39Å; L169-M438 HydrophobicContact CD2-SD 4.19Å
170Q69.4Low74Confident84 Ų8463.5 Ų63.539%0.39330%0.304SS..Hα-helixtrans-57.2-49.6-179.4-176.162.828.200112F166 R167 K172 I173 E174F166-Q170 PolarHBondContact O-N 3.15Å; R167-Q170 PolarHBondContact O-N 2.92Å; Q170-K172 PolarHBondContact O-N 3.48Å; Q170-K172 VanDerWaalsContact O-N 3.13Å; Q170-I173 PolarHBondContact O-N 3.08Å; Q170-E174 PolarHBondContact NE2-OE1 2.93Å; Q170-E174 WeakPolarHBondContact O-CG 3.49Å; Q170-E174 PolarHBondContact O-N 3.2Å
171N73.1Confident74.5Confident92 Ų9258.6 Ų58.649%0.49229%0.285SS..Hα-helixtrans-59.2-28.1178.7-69.17.2000112.7R167 L169 S175R167-N171 WeakPolarHBondContact O-CB 3.33Å; R167-N171 PolarHBondContact O-N 3.34Å; R167-N171 PolarHBondContact O-OD1 3.27Å; L169-N171 PolarHBondContact O-N 3.48Å; N171-S175 PolarHBondContact O-N 2.93Å
172K69.3Low75.3Confident85 Ų8555.3 Ų55.337%0.3727%0.27SS..Hα-helixtrans-83.1-39.9179.7-171159.2175.1-172.30112.2L169 Q170 E174 S175 E176 M438L169-K172 PolarHBondContact O-N 2.98Å; Q170-K172 PolarHBondContact O-N 3.48Å; Q170-K172 VanDerWaalsContact O-N 3.13Å; K172-E174 VanDerWaalsContact C-N 3.25Å; K172-E174 PolarHBondContact O-N 2.9Å; K172-S175 WeakPolarHBondContact CA-OG 3.39Å; K172-S175 PolarHBondContact O-N 2.97Å; K172-S175 PolarHBondContact O-OG 3.49Å; K172-E176 WeakPolarHBondContact CE-OE1 2.6Å; K172-E176 PolarHBondContact O-N 3.13Å; K172-M438 HydrophobicContact CD-CE 3.91Å; K172-M438 HydrophobicContact CD-SD 3.71Å; K172-M438 HydrophobicContact CG-SD 4.33Å
173I68.1Low76.3Confident37 Ų3753.8 Ų53.819%0.1926%0.263CS..Hα-helixtrans-54.1-45.7169-64.5166.1000110.2L169 Q170 S175 E176 L443L169-I173 WeakPolarHBondContact O-CG1 3.32Å; L169-I173 PolarHBondContact O-N 3.26Å; Q170-I173 PolarHBondContact O-N 3.08Å; I173-S175 VanDerWaalsContact C-N 3.28Å; I173-S175 PolarHBondContact O-N 3.31Å; I173-E176 PolarHBondContact O-N 2.92Å; I173-L443 HydrophobicContact CG1-CD1 3.74Å; I173-L443 HydrophobicContact CG1-CD2 4.09Å; I173-L443 HydrophobicContact CG1-CG 4.03Å
174E69.2Low76.9Confident84 Ų8455.8 Ų55.839%0.39327%0.271SS..Hα-helixtrans-66.7-25.9178.3-71.6170.9-17400113.5Q85 Q170 K172Q85-E174 VanDerWaalsContact NE2-CD 3.29Å; Q85-E174 PolarHBondContact NE2-OE1 3.45Å; Q85-E174 PolarHBondContact NE2-OE2 3.45Å; Q170-E174 PolarHBondContact NE2-OE1 2.93Å; Q170-E174 WeakPolarHBondContact O-CG 3.49Å; Q170-E174 PolarHBondContact O-N 3.2Å; K172-E174 VanDerWaalsContact C-N 3.25Å; K172-E174 PolarHBondContact O-N 2.9Å
175S71.4Confident77.2Confident50 Ų5049.6 Ų49.635%0.3526%0.259SS..Hα-helixtrans-80.8-22.7179.370.70000114.8N171 K172 I173N171-S175 PolarHBondContact O-N 2.93Å; K172-S175 WeakPolarHBondContact CA-OG 3.39Å; K172-S175 PolarHBondContact O-N 2.97Å; K172-S175 PolarHBondContact O-OG 3.49Å; I173-S175 VanDerWaalsContact C-N 3.28Å; I173-S175 PolarHBondContact O-N 3.31Å
176E70.8Confident77.9Confident79 Ų7952 Ų5237%0.36927%0.274SS..Hα-helixtrans-86.1-15.5179.8-70.4-179.8-163.700112.7K172 I173 T178K172-E176 WeakPolarHBondContact CE-OE1 2.6Å; K172-E176 PolarHBondContact O-N 3.13Å; I173-E176 PolarHBondContact O-N 2.92Å; E176-T178 PolarHBondContact O-N 3.39Å
177H76.4Confident78.7Confident52 Ų5253 Ų5324%0.24129%0.285CS..  trans-76.1115.3175.5-166.9-152.6000110.7V192H177-V192 PolarHBondContact O-N 3.13Å
178T85.4Confident79.3Confident40 Ų4053 Ų5325%0.24529%0.286CS..EExtended strand (participates in β ladder)trans-132152.9-171.552.60000111.4E176 Q189 I190E176-T178 PolarHBondContact O-N 3.39Å; T178-Q189 PolarHBondContact OG1-NE2 3.22Å; T178-I190 CarbonylContact C-O 3.6Å; T178-I190 WeakPolarHBondContact CA-O 3.48Å; T178-I190 WeakPolarHBondContact CB-O 3.39Å
179F89.6Confident80Confident2 Ų256 Ų561%0.00929%0.288CS..EExtended strand (participates in β ladder)trans-133.9155.4-177.5-145.8-95.7000112Q189 I190 V192 I195 C201 Q202 V203 D207 L208 L209 P210F179-Q189 WeakPolarHBondContact O-CA 3.3Å; F179-I190 PolarHBondContact N-O 2.89Å; F179-I190 PolarHBondContact O-N 3.32Å; F179-V192 HydrophobicContact CB-CG2 4.21Å; F179-I195 HydrophobicContact CB-CD1 3.85Å; F179-I195 HydrophobicContact CG-CD1 4.45Å; F179-C201 HydrophobicContact CD1-CB 4.09Å; F179-C201 HydrophobicContact CE1-CB 3.96Å; F179-Q202 WeakPolarHBondContact CE1-O 3.3Å; F179-V203 HydrophobicContact CE1-CG1 4.08Å; F179-V203 HydrophobicContact CZ-CG1 4.03Å; F179-D207 HydrophobicContact CE2-CB 3.81Å; F179-D207 HydrophobicContact CZ-CB 3.92Å; F179-D207 WeakPolarHBondContact CZ-OD2 3.43Å; F179-L208 VanDerWaalsContact CE2-O 3.32Å; F179-L208 WeakPolarHBondContact CE2-O 3.42Å; F179-L209 HydrophobicContact CZ-CD2 4.46Å; F179-P210 HydrophobicContact CB-CG 4.33Å; F179-P210 HydrophobicContact CD1-CG 4.05Å; F179-P210 HydrophobicContact CD2-CB 4.44Å; F179-P210 HydrophobicContact CD2-CG 3.83Å; F179-P210 HydrophobicContact CE1-CG 4.39Å; F179-P210 HydrophobicContact CE2-CG 4.16Å; F179-P210 HydrophobicContact CG-CG 3.78Å; F179-P210 HydrophobicContact CZ-CG 4.44Å
180F90.7Very high81.2Confident56 Ų5656 Ų5625%0.24629%0.287CS..EExtended strand (participates in β ladder)trans-84.9121176.5-71.3-87.8000111T187 Q189 C201 Q202F180-T187 HydrophobicContact CB-CG2 4.45Å; F180-T187 HydrophobicContact CD1-CG2 4.03Å; F180-Q189 HydrophobicContact CD1-CB 4.28Å; F180-Q189 HydrophobicContact CE1-CB 4.02Å; F180-Q189 HydrophobicContact CE1-CG 4.42Å; F180-Q189 HydrophobicContact CE2-CG 4.43Å; F180-Q189 HydrophobicContact CZ-CB 4.32Å; F180-Q189 HydrophobicContact CZ-CG 4.24Å; F180-C201 WeakPolarHBondContact O-CA 3.47Å; F180-Q202 HydrophobicContact CB-CB 4.22Å; F180-Q202 PolarHBondContact O-N 2.89Å
181V92.4Very high82.2Confident0 Ų053.3 Ų53.30%028%0.278CS..EExtended strand (participates in β ladder)trans-123.9151.3175.2-59.70000110.7R183 T187 K188 I190 I195 V200V181-R183 HydrophobicContact CG2-CG 4.13Å; V181-T187 CarbonylContact O-C 3.32Å; V181-T187 WeakPolarHBondContact O-CA 3.49Å; V181-K188 PolarHBondContact N-O 3.13Å; V181-K188 PolarHBondContact O-N 2.88Å; V181-I190 HydrophobicContact CB-CD1 4.46Å; V181-I190 HydrophobicContact CG1-CD1 3.91Å; V181-I190 HydrophobicContact CG1-CG1 4Å; V181-I190 HydrophobicContact CG2-CD1 3.73Å; V181-I190 HydrophobicContact CG2-CG1 3.79Å; V181-I190 HydrophobicContact CG2-CG2 3.99Å; V181-I195 HydrophobicContact CG1-CG1 4.36Å; V181-V200 CarbonylContact C-O 3.55Å; V181-V200 WeakPolarHBondContact CA-O 3.41Å
182I90.9Very high83Confident5 Ų549.9 Ų49.93%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-101.5122.4171.7-50.9179.1000107.6G65 D186 V200 K257G65-I182 WeakPolarHBondContact CA-O 3.46Å; I182-D186 WeakPolarHBondContact CA-O 3.33Å; I182-V200 HydrophobicContact CB-CB 4.34Å; I182-V200 HydrophobicContact CB-CG1 4.37Å; I182-V200 HydrophobicContact CD1-CG1 4.1Å; I182-V200 HydrophobicContact CG1-CG1 4.4Å; I182-V200 PolarHBondContact N-O 3.35Å; I182-K257 HydrophobicContact CD1-CD 4Å
183R90.1Very high83.9Confident16 Ų1650.9 Ų50.96%0.0626%0.264CS..EExtended strand (participates in β ladder)trans-141.6123.2178.9-71.4178.8171.9176.93.2108.9D64 V181 G185 D186 E194 D199D64-R183 CarbonylContact O-C 3.47Å; V181-R183 HydrophobicContact CG2-CG 4.13Å; R183-G185 VanDerWaalsContact C-N 3.25Å; R183-G185 PolarHBondContact O-N 2.71Å; R183-D186 PolarHBondContact N-O 3.05Å; R183-D186 PolarHBondContact O-N 3.31Å; R183-E194 PolarHBondContact NH2-O 3.34Å; R183-D199 IonicContact CZ-OD1 2.59Å; R183-D199 IonicContact CZ-OD2 3.23Å; R183-D199 IonicContact NE-OD1 2.89Å; R183-D199 PolarHBondContact NE-OD1 3.15Å; R183-D199 IonicContact NE-OD2 3.66Å; R183-D199 IonicContact NH2-OD1 3.13Å; R183-D199 PolarHBondContact NH2-OD1 2.92Å; R183-D199 IonicContact NH2-OD2 2.79Å; R183-D199 PolarHBondContact NH2-OD2 3.11Å
184K86.1Confident84.9Confident85 Ų8553.3 Ų53.337%0.3728%0.275SS..THydrogen-bonded Turntrans55.635-171.4-57.8173.8172.7169.60113.3D64 L66 E68 D186D64-K184 PolarHBondContact O-N 3.24Å; L66-K184 PolarHBondContact O-N 2.95Å; L66-K184 VanDerWaalsContact O-N 3.12Å; E68-K184 HydrophobicContact CG-CD 4.28Å; E68-K184 VanDerWaalsContact OE2-CE 3.31Å; E68-K184 WeakPolarHBondContact OE2-CE 3.09Å; E68-K184 IonicContact OE2-NZ 3Å; E68-K184 PolarHBondContact OE2-NZ 3.05Å; K184-D186 PolarHBondContact O-N 3.26Å
185G81.6Confident86.1Confident38 Ų3849.3 Ų49.339%0.39226%0.256SS..THydrogen-bonded Turntrans80.5-23.6-175.800000114.8D64 R183D64-G185 PolarHBondContact O-N 3.27Å; R183-G185 VanDerWaalsContact C-N 3.25Å; R183-G185 PolarHBondContact O-N 2.71Å
186D83.9Confident87.2Confident99 Ų9947.1 Ų47.153%0.52924%0.241SC..EExtended strand (participates in β ladder)trans-75.2133.3176.9-71.1-33000111.8I182 R183 K184 K188I182-D186 WeakPolarHBondContact CA-O 3.33Å; R183-D186 PolarHBondContact N-O 3.05Å; R183-D186 PolarHBondContact O-N 3.31Å; K184-D186 PolarHBondContact O-N 3.26Å; D186-K188 HydrophobicContact CB-CG 4.13Å; D186-K188 PolarHBondContact O-N 2.86Å
187T85.4Confident88.3Confident76 Ų7643.4 Ų43.447%0.46622%0.224SC..EExtended strand (participates in β ladder)trans-83.7110.5168.6-52.50000109.2F180 V181F180-T187 HydrophobicContact CB-CG2 4.45Å; F180-T187 HydrophobicContact CD1-CG2 4.03Å; V181-T187 CarbonylContact O-C 3.32Å; V181-T187 WeakPolarHBondContact O-CA 3.49Å
188K85.2Confident89Confident67 Ų6741 Ų4129%0.29121%0.212SC..EExtended strand (participates in β ladder)trans-115145.6-178.6-55.7-176.9-169-1770110.1E68 V181 D186 I190E68-K188 IonicContact OE1-NZ 2.85Å; E68-K188 PolarHBondContact OE1-NZ 3.34Å; V181-K188 PolarHBondContact N-O 3.13Å; V181-K188 PolarHBondContact O-N 2.88Å; D186-K188 HydrophobicContact CB-CG 4.13Å; D186-K188 PolarHBondContact O-N 2.86Å; K188-I190 HydrophobicContact CB-CG2 4.42Å
189Q86.9Confident89.4Confident112 Ų11239 Ų3952%0.52320%0.2SC..EExtended strand (participates in β ladder)trans-97.7116.3172.8-174.2169.44.900108.9T178 F179 F180T178-Q189 PolarHBondContact OG1-NE2 3.22Å; F179-Q189 WeakPolarHBondContact O-CA 3.3Å; F180-Q189 HydrophobicContact CD1-CB 4.28Å; F180-Q189 HydrophobicContact CE1-CB 4.02Å; F180-Q189 HydrophobicContact CE1-CG 4.42Å; F180-Q189 HydrophobicContact CE2-CG 4.43Å; F180-Q189 HydrophobicContact CZ-CB 4.32Å; F180-Q189 HydrophobicContact CZ-CG 4.24Å
190I89.3Confident89.6Confident16 Ų1639 Ų398%0.08220%0.2CC..EExtended strand (participates in β ladder)trans-122.6154.6-175.367.7167.4000111.9T178 F179 V181 K188 E194 I195T178-I190 CarbonylContact C-O 3.6Å; T178-I190 WeakPolarHBondContact CA-O 3.48Å; T178-I190 WeakPolarHBondContact CB-O 3.39Å; F179-I190 PolarHBondContact N-O 2.89Å; F179-I190 PolarHBondContact O-N 3.32Å; V181-I190 HydrophobicContact CB-CD1 4.46Å; V181-I190 HydrophobicContact CG1-CD1 3.91Å; V181-I190 HydrophobicContact CG1-CG1 4Å; V181-I190 HydrophobicContact CG2-CD1 3.73Å; V181-I190 HydrophobicContact CG2-CG1 3.79Å; V181-I190 HydrophobicContact CG2-CG2 3.99Å; K188-I190 HydrophobicContact CB-CG2 4.42Å; I190-E194 HydrophobicContact CD1-CB 4.23Å; I190-I195 HydrophobicContact CD1-CG1 3.94Å; I190-I195 HydrophobicContact CG1-CG1 4.29Å
191P89.5Confident89.7Confident29 Ų2936.3 Ų36.319%0.18819%0.188CC..EExtended strand (participates in β ladder)trans-57.7138.8171.1-25.636.4000112.4K193 E194P191-K193 HydrophobicContact CB-CD 4.43Å; P191-K193 HydrophobicContact CB-CG 4.13Å; P191-K193 PolarHBondContact O-N 3.01Å; P191-K193 VanDerWaalsContact O-N 3.09Å; P191-E194 HydrophobicContact CB-CG 4.36Å; P191-E194 WeakPolarHBondContact O-CB 3.44Å; P191-E194 PolarHBondContact O-N 3.38Å
192V90Very high89.7Confident20 Ų2040 Ų4012%0.12121%0.206CC..G310 helixtrans-56.7-31.7-175.7161.70000113.6N81 H177 F179 E194 I195 P210N81-V192 PolarHBondContact ND2-O 3.24Å; H177-V192 PolarHBondContact O-N 3.13Å; F179-V192 HydrophobicContact CB-CG2 4.21Å; V192-E194 PolarHBondContact O-N 2.75Å; V192-I195 HydrophobicContact CG2-CD1 4.42Å; V192-I195 PolarHBondContact O-N 3.06Å; V192-P210 HydrophobicContact CB-CB 4.36Å; V192-P210 HydrophobicContact CG1-CB 3.64Å; V192-P210 HydrophobicContact CG2-CB 3.93Å
193K88.9Confident89.8Confident105 Ų10539.8 Ų39.846%0.45721%0.205SC..G310 helixtrans-64.3-18.6175.775.4-171.8179170.60114.3V82 P191V82-K193 HydrophobicContact CG2-CB 4.09Å; P191-K193 HydrophobicContact CB-CD 4.43Å; P191-K193 HydrophobicContact CB-CG 4.13Å; P191-K193 PolarHBondContact O-N 3.01Å; P191-K193 VanDerWaalsContact O-N 3.09Å
194E90.3Very high89.7Confident88 Ų8843.7 Ų43.741%0.41122%0.222SC..G310 helixtrans-99.93.1-174.8-64.3173.1-15600112.9R183 I190 P191 V192R183-E194 PolarHBondContact NH2-O 3.34Å; I190-E194 HydrophobicContact CD1-CB 4.23Å; P191-E194 HydrophobicContact CB-CG 4.36Å; P191-E194 WeakPolarHBondContact O-CB 3.44Å; P191-E194 PolarHBondContact O-N 3.38Å; V192-E194 PolarHBondContact O-N 2.75Å
195I92.7Very high89.6Confident0 Ų043.7 Ų43.70%022%0.22CC..  trans-75.1134.9171.7-61.9171000109N81 F179 V181 I190 V192 D199 P210 A211 V260N81-I195 WeakPolarHBondContact CB-O 3.25Å; F179-I195 HydrophobicContact CB-CD1 3.85Å; F179-I195 HydrophobicContact CG-CD1 4.45Å; V181-I195 HydrophobicContact CG1-CG1 4.36Å; I190-I195 HydrophobicContact CD1-CG1 3.94Å; I190-I195 HydrophobicContact CG1-CG1 4.29Å; V192-I195 HydrophobicContact CG2-CD1 4.42Å; V192-I195 PolarHBondContact O-N 3.06Å; I195-D199 WeakPolarHBondContact CA-OD2 3.3Å; I195-D199 HydrophobicContact CG2-CB 4.41Å; I195-P210 HydrophobicContact CD1-CB 3.68Å; I195-P210 HydrophobicContact CD1-CG 3.49Å; I195-P210 VanDerWaalsContact CD1-CG 3.49Å; I195-A211 HydrophobicContact CG2-CB 4.41Å; I195-V260 HydrophobicContact CG2-CG1 4.34Å; I195-V260 HydrophobicContact CG2-CG2 3.85Å
196V94.1Very high89.4Confident4 Ų442 Ų422%0.02420%0.202CC..  trans-126.7162180-63.20000111.8L66 F71 R74 I75 G198 D199L66-V196 HydrophobicContact CD1-CG2 3.69Å; F71-V196 HydrophobicContact CD1-CG2 3.92Å; F71-V196 HydrophobicContact CE1-CG2 4.25Å; R74-V196 HydrophobicContact CB-CB 4.4Å; I75-V196 HydrophobicContact CD1-CG1 4.38Å; I75-V196 HydrophobicContact CG1-CG1 3.91Å; V196-G198 PolarHBondContact O-N 3.28Å; V196-D199 WeakPolarHBondContact CG2-OD2 3.19Å; V196-D199 PolarHBondContact N-OD2 3.49Å; V196-D199 WeakPolarHBondContact O-CB 3.23Å; V196-D199 PolarHBondContact O-N 3.37Å; V196-D199 VanDerWaalsContact O-N 3.09Å
197V94.2Very high89.5Confident2 Ų237.4 Ų37.41%0.01218%0.178CC..THydrogen-bonded Turntrans-61.4130.1174.5177.20000110.6L29 L58 R74 F78 V263L29-V197 HydrophobicContact CD1-CG1 4Å; L58-V197 HydrophobicContact CD1-CG1 4.46Å; L58-V197 HydrophobicContact CD2-CG1 3.79Å; R74-V197 PolarHBondContact NH1-O 3.06Å; F78-V197 HydrophobicContact CB-CB 3.93Å; F78-V197 HydrophobicContact CB-CG2 3.66Å; F78-V197 HydrophobicContact CD1-CB 4.48Å; F78-V197 HydrophobicContact CD1-CG1 4.23Å; F78-V197 HydrophobicContact CD2-CB 4.07Å; F78-V197 HydrophobicContact CD2-CG1 4.32Å; F78-V197 HydrophobicContact CG-CB 3.91Å; F78-V197 HydrophobicContact CG-CG1 4.12Å; F78-V197 HydrophobicContact CG-CG2 4.11Å; V197-V263 HydrophobicContact CG2-CG1 4.13Å; V197-V263 HydrophobicContact CG2-CG2 4.02Å
198G91.9Very high89.6Confident0 Ų035 Ų350%016%0.162CC..THydrogen-bonded Turntrans92.8-7.6-172.800000115.4T60 L66 V196 V260T60-G198 VanDerWaalsContact CB-O 3.28Å; T60-G198 WeakPolarHBondContact CB-O 3.37Å; T60-G198 WeakPolarHBondContact CG2-O 3.47Å; T60-G198 PolarHBondContact OG1-O 3.15Å; L66-G198 WeakPolarHBondContact CG-O 3.5Å; V196-G198 PolarHBondContact O-N 3.28Å; G198-V260 PolarHBondContact N-O 3.29Å
199D93.4Very high90Very high0 Ų032 Ų320%015%0.149CC..  trans-59.7145.3168-89.3-44.2000110.4R183 I195 V196 V259 V260R183-D199 IonicContact CZ-OD1 2.59Å; R183-D199 IonicContact CZ-OD2 3.23Å; R183-D199 IonicContact NE-OD1 2.89Å; R183-D199 PolarHBondContact NE-OD1 3.15Å; R183-D199 IonicContact NE-OD2 3.66Å; R183-D199 IonicContact NH2-OD1 3.13Å; R183-D199 PolarHBondContact NH2-OD1 2.92Å; R183-D199 IonicContact NH2-OD2 2.79Å; R183-D199 PolarHBondContact NH2-OD2 3.11Å; I195-D199 WeakPolarHBondContact CA-OD2 3.3Å; I195-D199 HydrophobicContact CG2-CB 4.41Å; V196-D199 WeakPolarHBondContact CG2-OD2 3.19Å; V196-D199 PolarHBondContact N-OD2 3.49Å; V196-D199 WeakPolarHBondContact O-CB 3.23Å; V196-D199 PolarHBondContact O-N 3.37Å; V196-D199 VanDerWaalsContact O-N 3.09Å; D199-V259 WeakPolarHBondContact O-CA 3.4Å; D199-V260 HydrophobicContact CB-CG2 4.1Å; D199-V260 PolarHBondContact O-N 2.89Å
200V94Very high90.2Very high0 Ų027 Ų270%013%0.126CC..EExtended strand (participates in β ladder)trans-98.6105.5169.9175.40000108.3V181 I182 I216 K257 M258V181-V200 CarbonylContact C-O 3.55Å; V181-V200 WeakPolarHBondContact CA-O 3.41Å; I182-V200 HydrophobicContact CB-CB 4.34Å; I182-V200 HydrophobicContact CB-CG1 4.37Å; I182-V200 HydrophobicContact CD1-CG1 4.1Å; I182-V200 HydrophobicContact CG1-CG1 4.4Å; I182-V200 PolarHBondContact N-O 3.35Å; V200-I216 HydrophobicContact CB-CD1 4.5Å; V200-I216 HydrophobicContact CG1-CD1 3.82Å; V200-I216 HydrophobicContact CG2-CD1 3.97Å; V200-K257 HydrophobicContact CG1-CB 4.44Å; V200-M258 CarbonylContact C-O 3.5Å; V200-M258 VanDerWaalsContact CA-O 3.3Å; V200-M258 WeakPolarHBondContact CA-O 3.37Å
201C93.9Very high90.4Very high0 Ų026.2 Ų26.20%012%0.122CC..EExtended strand (participates in β ladder)trans-87.9135.6177.3-67.80000110.5F179 F180 K257 M258 V260F179-C201 HydrophobicContact CD1-CB 4.09Å; F179-C201 HydrophobicContact CE1-CB 3.96Å; F180-C201 WeakPolarHBondContact O-CA 3.47Å; C201-K257 CarbonylContact O-C 3.56Å; C201-K257 WeakPolarHBondContact O-CA 3.4Å; C201-M258 HydrophobicContact CB-CE 3.97Å; C201-M258 HydrophobicContact CB-CG 3.76Å; C201-M258 HydrophobicContact CB-SD 4.42Å; C201-M258 PolarHBondContact N-O 2.77Å; C201-M258 PolarHBondContact O-N 3.49Å; C201-V260 VanDerWaalsContact SG-CG2 3.51Å
202Q91.7Very high90.6Very high78 Ų7824.8 Ų24.836%0.36411%0.113SC..EExtended strand (participates in β ladder)trans-93.8118.9170.5-174.1175.11300108.9F179 F180F179-Q202 WeakPolarHBondContact CE1-O 3.3Å; F180-Q202 HydrophobicContact CB-CB 4.22Å; F180-Q202 PolarHBondContact O-N 2.89Å
203V91.7Very high90.8Very high1 Ų123.9 Ų23.91%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-104.7134.9-177.3-64.30000110.3F179 L209 L221 V251 S255 G256 M258F179-V203 HydrophobicContact CE1-CG1 4.08Å; F179-V203 HydrophobicContact CZ-CG1 4.03Å; V203-L209 HydrophobicContact CB-CD2 4.31Å; V203-L209 HydrophobicContact CG1-CD2 3.54Å; V203-L221 HydrophobicContact CG2-CD1 4.37Å; V203-L221 HydrophobicContact CG2-CD2 4.27Å; V203-V251 HydrophobicContact CB-CG2 4.45Å; V203-S255 CarbonylContact O-C 3.54Å; V203-S255 VanDerWaalsContact O-CA 3.3Å; V203-S255 WeakPolarHBondContact O-CA 3.44Å; V203-S255 WeakPolarHBondContact O-CB 3.41Å; V203-G256 WeakPolarHBondContact CG2-O 3.44Å; V203-G256 PolarHBondContact N-O 2.83Å; V203-G256 PolarHBondContact O-N 3.39Å; V203-M258 HydrophobicContact CG1-CG 4.28Å; V203-M258 HydrophobicContact CG1-SD 3.95Å
204K88Confident91.1Very high98 Ų9818.9 Ų18.943%0.4269%0.086SC..EExtended strand (participates in β ladder)trans-134.4163.2178.155.5170.6-175-173.30110.6G206 D207 V251K204-G206 PolarHBondContact O-N 3.31Å; K204-D207 WeakPolarHBondContact CE-OD1 3.48Å; K204-D207 VanDerWaalsContact CG-CG 3.45Å; K204-D207 VanDerWaalsContact CG-OD1 3.29Å; K204-D207 WeakPolarHBondContact CG-OD1 3.48Å; K204-D207 WeakPolarHBondContact CG-OD2 3.35Å; K204-D207 PolarHBondContact N-OD2 3.29Å; K204-D207 IonicContact NZ-OD1 3.86Å; K204-D207 WeakPolarHBondContact O-CB 3.38Å; K204-D207 VanDerWaalsContact O-CG 3.27Å; K204-D207 PolarHBondContact O-N 3Å; K204-V251 WeakPolarHBondContact O-CB 3.31Å; K204-V251 WeakPolarHBondContact O-CG1 3.45Å
205Y84.1Confident91.2Very high85 Ų8514.7 Ų14.733%0.3337%0.066SC..THydrogen-bonded Turntrans-44.1125.8169.7168.2-105.1000112.9M252 G254 T800Y205-M252 WeakPolarHBondContact CD2-O 3.47Å; Y205-M252 WeakPolarHBondContact CE2-O 3.28Å; Y205-G254 PolarHBondContact N-O 3.02Å; Y205-T800 HydrophobicContact CD2-CG2 4.37Å; Y205-T800 HydrophobicContact CE1-CG2 4.28Å; Y205-T800 HydrophobicContact CE2-CG2 3.71Å; Y205-T800 WeakPolarHBondContact CE2-OG1 3.36Å; Y205-T800 PolarHBondContact OH-OG1 2.81Å
206G79.3Confident91.2Very high1 Ų116 Ų161%0.017%0.073CC..THydrogen-bonded Turntrans90.1-1.3176.500000116.4K204 V251 T800 D821 V822K204-G206 PolarHBondContact O-N 3.31Å; G206-V251 PolarHBondContact N-O 3.37Å; G206-T800 VanDerWaalsContact CA-CG2 3.41Å; G206-D821 PolarHBondContact O-N 2.86Å; G206-V822 PolarHBondContact O-N 3.46Å
207D85.9Confident90.9Very high4 Ų421.2 Ų21.22%0.02110%0.097CC..PPolyproline II helixtrans-72.7145174.5-71.2-8.4000112.1F179 K204 V251F179-D207 HydrophobicContact CE2-CB 3.81Å; F179-D207 HydrophobicContact CZ-CB 3.92Å; F179-D207 WeakPolarHBondContact CZ-OD2 3.43Å; K204-D207 WeakPolarHBondContact CE-OD1 3.48Å; K204-D207 VanDerWaalsContact CG-CG 3.45Å; K204-D207 VanDerWaalsContact CG-OD1 3.29Å; K204-D207 WeakPolarHBondContact CG-OD1 3.48Å; K204-D207 WeakPolarHBondContact CG-OD2 3.35Å; K204-D207 PolarHBondContact N-OD2 3.29Å; K204-D207 IonicContact NZ-OD1 3.86Å; K204-D207 WeakPolarHBondContact O-CB 3.38Å; K204-D207 VanDerWaalsContact O-CG 3.27Å; K204-D207 PolarHBondContact O-N 3Å; D207-V251 HydrophobicContact CB-CG2 4.22Å; D207-V251 PolarHBondContact O-N 2.98Å
208L87.6Confident90.6Very high26 Ų2622.5 Ų22.514%0.13611%0.106CC..BIsolated β-bridgetrans-92.9121.9162.8168.260.4000108.3F179 P210 D821F179-L208 VanDerWaalsContact CE2-O 3.32Å; F179-L208 WeakPolarHBondContact CE2-O 3.42Å; L208-P210 WeakPolarHBondContact O-CD 3.41Å; L208-D821 HydrophobicContact CB-CB 3.86Å
209L92Very high90.3Very high2 Ų227.8 Ų27.81%0.0113%0.134CC..PPolyproline II helixtrans-68122.2-177.2-66.6-167.4000111.5F179 V203 I223 L245 L246 S247 G248 T249 V251F179-L209 HydrophobicContact CZ-CD2 4.46Å; V203-L209 HydrophobicContact CB-CD2 4.31Å; V203-L209 HydrophobicContact CG1-CD2 3.54Å; L209-I223 HydrophobicContact CD1-CD1 4Å; L209-L245 HydrophobicContact CD1-CB 3.78Å; L209-L245 HydrophobicContact CD1-CD1 4.47Å; L209-L245 HydrophobicContact CD1-CD2 4.4Å; L209-L245 HydrophobicContact CD1-CG 4.46Å; L209-L246 WeakPolarHBondContact CB-O 3.15Å; L209-S247 WeakPolarHBondContact O-CA 3.44Å; L209-G248 PolarHBondContact O-N 3.44Å; L209-T249 PolarHBondContact N-O 3.44Å; L209-V251 HydrophobicContact CD2-CG2 3.8Å; L209-V251 HydrophobicContact CG-CG2 4.29Å
210P91Very high89.8Confident7 Ų732.8 Ų32.85%0.04516%0.161CC..  trans-85.9-16.2-170.433.2-37000114.1N81 F179 V192 I195 L208 S247N81-P210 PolarHBondContact ND2-O 3.06Å; N81-P210 PolarHBondContact OD1-O 3.17Å; F179-P210 HydrophobicContact CB-CG 4.33Å; F179-P210 HydrophobicContact CD1-CG 4.05Å; F179-P210 HydrophobicContact CD2-CB 4.44Å; F179-P210 HydrophobicContact CD2-CG 3.83Å; F179-P210 HydrophobicContact CE1-CG 4.39Å; F179-P210 HydrophobicContact CE2-CG 4.16Å; F179-P210 HydrophobicContact CG-CG 3.78Å; F179-P210 HydrophobicContact CZ-CG 4.44Å; V192-P210 HydrophobicContact CB-CB 4.36Å; V192-P210 HydrophobicContact CG1-CB 3.64Å; V192-P210 HydrophobicContact CG2-CB 3.93Å; I195-P210 HydrophobicContact CD1-CB 3.68Å; I195-P210 HydrophobicContact CD1-CG 3.49Å; I195-P210 VanDerWaalsContact CD1-CG 3.49Å; L208-P210 WeakPolarHBondContact O-CD 3.41Å; P210-S247 PolarHBondContact O-OG 3.04Å
211A93.7Very high89.4Confident0 Ų032.9 Ų32.90%016%0.161CC..SBendtrans-156.4163.2-171.900000109.6I195 V260 V263I195-A211 HydrophobicContact CG2-CB 4.41Å; A211-V260 HydrophobicContact CB-CG1 3.75Å; A211-V260 HydrophobicContact CB-CG2 4.36Å; A211-V263 HydrophobicContact CB-CG1 4.07Å
212D94.5Very high88.9Confident0 Ų034.5 Ų34.50%017%0.168CC..EExtended strand (participates in β ladder)trans-78.6143.5173.2-76.13.8000109.7M33 L245 S247 V260 T261 A262 S267 Q268M33-D212 HydrophobicContact CE-CB 3.87Å; M33-D212 HydrophobicContact CG-CB 4.02Å; M33-D212 HydrophobicContact SD-CB 4.3Å; D212-L245 WeakPolarHBondContact CA-O 3.32Å; D212-S247 VanDerWaalsContact OD1-CB 3.32Å; D212-S247 WeakPolarHBondContact OD1-CB 3.38Å; D212-S247 PolarHBondContact OD1-N 3.4Å; D212-V260 WeakPolarHBondContact O-CA 3.49Å; D212-T261 PolarHBondContact O-N 2.97Å; D212-T261 PolarHBondContact O-OG1 3.47Å; D212-A262 HydrophobicContact CB-CB 4.03Å; D212-A262 PolarHBondContact N-O 3.2Å; D212-A262 PolarHBondContact O-N 3.47Å; D212-S267 VanDerWaalsContact OD2-CA 3.26Å; D212-S267 WeakPolarHBondContact OD2-CA 3.39Å; D212-Q268 WeakPolarHBondContact OD2-CG 3.49Å; D212-Q268 PolarHBondContact OD2-N 3.44Å
213G94.6Very high88.7Confident0 Ų030.8 Ų30.80%015%0.151CC..EExtended strand (participates in β ladder)trans-163.6173.4-177.100000115.6L245 V259 T261G213-L245 PolarHBondContact N-O 3.36Å; G213-L245 PolarHBondContact O-N 3.14Å; G213-V259 CarbonylContact C-O 3.4Å; G213-V259 WeakPolarHBondContact CA-O 3.36Å; G213-T261 WeakPolarHBondContact CA-OG1 3.45Å
214I94.4Very high88.1Confident0 Ų032.3 Ų32.30%016%0.159CC..EExtended strand (participates in β ladder)trans-115.1129.6177.9-64.2-65.6000109.3L32 M33 L44 V51 L54 I216 P243 I244 M258 V259 T261L32-I214 HydrophobicContact CD2-CD1 4.27Å; L32-I214 HydrophobicContact CD2-CG1 4.14Å; L32-I214 HydrophobicContact CG-CD1 4.35Å; M33-I214 HydrophobicContact SD-CD1 4.39Å; L44-I214 HydrophobicContact CD2-CG2 4.1Å; V51-I214 HydrophobicContact CG2-CG2 4.11Å; L54-I214 HydrophobicContact CD2-CG1 4.18Å; I214-I216 PolarHBondContact O-N 2.9Å; I214-P243 CarbonylContact C-O 3.49Å; I214-P243 WeakPolarHBondContact CA-O 3.36Å; I214-P243 HydrophobicContact CG2-CB 4.26Å; I214-I244 HydrophobicContact CD1-CG1 3.66Å; I214-M258 CarbonylContact O-C 3.6Å; I214-M258 WeakPolarHBondContact O-CA 3.39Å; I214-M258 WeakPolarHBondContact O-CB 3.23Å; I214-V259 HydrophobicContact CB-CG1 4.07Å; I214-V259 PolarHBondContact N-O 3.08Å; I214-V259 PolarHBondContact O-N 2.93Å; I214-T261 HydrophobicContact CG1-CG2 3.84Å
215V93.4Very high87.7Confident0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-59.6124.6174.4179.60000110C218 L221 E239 P243 L245V215-C218 HydrophobicContact CG1-CB 3.76Å; V215-L221 HydrophobicContact CG2-CD2 4.32Å; V215-E239 HydrophobicContact CG1-CG 3.88Å; V215-P243 HydrophobicContact CB-CB 4.37Å; V215-P243 WeakPolarHBondContact CG2-O 3.37Å; V215-P243 PolarHBondContact N-O 2.96Å; V215-L245 HydrophobicContact CG2-CD1 3.85Å; V215-L245 HydrophobicContact CG2-CD2 3.86Å; V215-L245 HydrophobicContact CG2-CG 3.71Å
216I90.7Very high87.1Confident29 Ų2925.9 Ų25.915%0.14914%0.138CC..EExtended strand (participates in β ladder)trans-91.3-42.4169.5-56.8161.3000110V51 P62 V200 I214 K257 V259V51-I216 HydrophobicContact CG1-CB 4.45Å; V51-I216 HydrophobicContact CG1-CG1 4.02Å; P62-I216 HydrophobicContact CB-CG2 4.09Å; V200-I216 HydrophobicContact CB-CD1 4.5Å; V200-I216 HydrophobicContact CG1-CD1 3.82Å; V200-I216 HydrophobicContact CG2-CD1 3.97Å; I214-I216 PolarHBondContact O-N 2.9Å; I216-K257 HydrophobicContact CB-CB 4.38Å; I216-K257 HydrophobicContact CD1-CB 4.5Å; I216-K257 PolarHBondContact N-O 2.97Å; I216-V259 HydrophobicContact CD1-CB 4.07Å; I216-V259 HydrophobicContact CG1-CB 4.31Å; I216-V259 HydrophobicContact CG1-CG1 4.43Å
217Q89.6Confident86.5Confident113 Ų11329.4 Ų29.453%0.52816%0.162SC..EExtended strand (participates in β ladder)trans-149.7138.7-177.1-170.6-179.113.800109E239 G256 K257Q217-E239 VanDerWaalsContact CA-OE1 3.26Å; Q217-E239 WeakPolarHBondContact CA-OE1 3.36Å; Q217-G256 CarbonylContact O-C 3.58Å; Q217-G256 WeakPolarHBondContact O-CA 3.14Å; Q217-K257 HydrophobicContact CB-CB 4.49Å; Q217-K257 PolarHBondContact N-O 3.24Å; Q217-K257 PolarHBondContact O-N 3.29Å
218C86.6Confident85.9Confident28 Ų2831.4 Ų31.419%0.18917%0.172CC..EExtended strand (participates in β ladder)trans-142.1156175.661.20000114.3V215 L221 E239V215-C218 HydrophobicContact CG1-CB 3.76Å; C218-L221 HydrophobicContact CB-CB 3.97Å; C218-L221 HydrophobicContact CB-CD2 4.29Å; C218-E239 PolarHBondContact N-OE1 3.17Å
219N85.5Confident85.2Confident111 Ų11133.5 Ų33.559%0.59419%0.186SC*.EExtended strand (participates in β ladder)trans-135108171.5-172.23.8000109.2L221 G254 S255N219-L221 PolarHBondContact O-N 3.24Å; N219-G254 VanDerWaalsContact O-CA 3.23Å; N219-G254 WeakPolarHBondContact O-CA 3.37Å; N219-S255 PolarHBondContact N-O 2.99Å; N219-S255 PolarHBondContact O-N 3.31Å
220D83.5Confident83.5Confident106 Ų10636.1 Ų36.157%0.56721%0.214SC*.EExtended strand (participates in β ladder)trans4337.2-176.2-95.3-33.1000115.3K222 R236D220-K222 PolarHBondContact O-N 2.87Å; D220-R236 IonicContact OD1-NH1 2.63Å; D220-R236 PolarHBondContact OD1-NH1 2.89Å
221L85.1Confident82.3Confident1 Ų142 Ų421%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-66.4120.4-175.9-172.865.3000111.5V203 V215 C218 N219 I223 K237 L245 V251 E253V203-L221 HydrophobicContact CG2-CD1 4.37Å; V203-L221 HydrophobicContact CG2-CD2 4.27Å; V215-L221 HydrophobicContact CG2-CD2 4.32Å; C218-L221 HydrophobicContact CB-CB 3.97Å; C218-L221 HydrophobicContact CB-CD2 4.29Å; N219-L221 PolarHBondContact O-N 3.24Å; L221-I223 HydrophobicContact CG-CD1 4.47Å; L221-I223 HydrophobicContact CG-CG1 4.43Å; L221-K237 HydrophobicContact CB-CB 4.4Å; L221-K237 HydrophobicContact CD2-CB 4.06Å; L221-K237 HydrophobicContact CG-CB 4.23Å; L221-K237 PolarHBondContact O-N 3.02Å; L221-L245 HydrophobicContact CD2-CD2 4.17Å; L221-V251 HydrophobicContact CD1-CG1 3.56Å; L221-E253 WeakPolarHBondContact CA-O 3.44Å
222K85.1Confident80.7Confident34 Ų3446.6 Ų46.615%0.14827%0.273CS..EExtended strand (participates in β ladder)trans-125.3140.3174.1-61.8-177.6-166162.60111.1D220 Q234 V235 R236 M252 E253D220-K222 PolarHBondContact O-N 2.87Å; K222-Q234 HydrophobicContact CB-CB 4.35Å; K222-Q234 HydrophobicContact CD-CB 4.41Å; K222-Q234 VanDerWaalsContact CD-OE1 3.27Å; K222-V235 WeakPolarHBondContact CA-O 3.38Å; K222-R236 HydrophobicContact CG-CG 4.03Å; K222-M252 PolarHBondContact O-N 3.44Å; K222-E253 HydrophobicContact CB-CB 4.09Å; K222-E253 HydrophobicContact CD-CB 4.12Å; K222-E253 HydrophobicContact CD-CG 4.27Å; K222-E253 VanDerWaalsContact CE-OE2 3.26Å; K222-E253 WeakPolarHBondContact CE-OE2 3.34Å; K222-E253 HydrophobicContact CG-CB 4.26Å; K222-E253 PolarHBondContact N-O 3.36Å; K222-E253 VanDerWaalsContact NZ-CD 3.3Å; K222-E253 IonicContact NZ-OE1 2.66Å; K222-E253 PolarHBondContact NZ-OE1 2.89Å; K222-E253 IonicContact NZ-OE2 3.14Å; K222-E253 PolarHBondContact NZ-OE2 3.39Å; K222-E253 PolarHBondContact O-N 3.5Å
223I85.7Confident79.4Confident1 Ų152.8 Ų52.81%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-132140.5-173.2-61-168.2000110.9L209 L221 E225 V235 K237 L245 T249 H250 V251L209-I223 HydrophobicContact CD1-CD1 4Å; L221-I223 HydrophobicContact CG-CD1 4.47Å; L221-I223 HydrophobicContact CG-CG1 4.43Å; I223-E225 HydrophobicContact CG2-CG 4.1Å; I223-V235 PolarHBondContact N-O 3.45Å; I223-V235 PolarHBondContact O-N 3.2Å; I223-K237 HydrophobicContact CD1-CG 3.97Å; I223-K237 HydrophobicContact CG1-CG 4.11Å; I223-L245 HydrophobicContact CD1-CD2 3.3Å; I223-T249 WeakPolarHBondContact CG2-OG1 3.29Å; I223-H250 CarbonylContact C-O 3.55Å; I223-H250 VanDerWaalsContact CA-O 3.3Å; I223-H250 WeakPolarHBondContact CA-O 3.48Å; I223-H250 WeakPolarHBondContact CG2-O 3.41Å; I223-V251 HydrophobicContact CD1-CG2 4.47Å
224D78.8Confident78.6Confident32 Ų3256.9 Ų56.917%0.17133%0.325CS..EExtended strand (participates in β ladder)trans-90.6110.1167.5178.13.5000109.1S226 T249 H250 M252D224-S226 WeakPolarHBondContact OD1-CB 3.46Å; D224-S226 PolarHBondContact OD1-N 3.5Å; D224-S226 PolarHBondContact OD1-OG 2.98Å; D224-S226 PolarHBondContact OD2-OG 3.31Å; D224-T249 WeakPolarHBondContact O-CB 3.25Å; D224-H250 HydrophobicContact CB-CB 4.47Å; D224-H250 PolarHBondContact N-O 2.9Å; D224-H250 PolarHBondContact O-N 2.96Å; D224-M252 HydrophobicContact CB-CG 3.52Å; D224-M252 HydrophobicContact CB-SD 4.09Å
225E81.6Confident78.1Confident14 Ų1458.4 Ų58.47%0.06534%0.335CS..  trans-94.76.8178.2-58.3-167.9153.200113I223 S227 L228 T229 V235 K237 T249I223-E225 HydrophobicContact CG2-CG 4.1Å; E225-S227 PolarHBondContact O-N 3.01Å; E225-S227 VanDerWaalsContact O-N 3.08Å; E225-L228 PolarHBondContact O-N 3.18Å; E225-T229 HydrophobicContact CB-CG2 4.05Å; E225-T229 PolarHBondContact O-N 2.91Å; E225-T229 PolarHBondContact O-OG1 3.42Å; E225-V235 HydrophobicContact CG-CG2 4.18Å; E225-K237 WeakPolarHBondContact OE1-CE 3.12Å; E225-K237 IonicContact OE1-NZ 2.77Å; E225-K237 PolarHBondContact OE1-NZ 3.48Å; E225-T249 HydrophobicContact CB-CG2 4.3Å; E225-T249 HydrophobicContact CG-CG2 4.26Å
226S71Confident77.8Confident35 Ų3566.4 Ų66.425%0.24537%0.365CS..Hα-helixtrans-59.1-26.9-171.864.60000114.5D224 L228 G230 E231D224-S226 WeakPolarHBondContact OD1-CB 3.46Å; D224-S226 PolarHBondContact OD1-N 3.5Å; D224-S226 PolarHBondContact OD1-OG 2.98Å; D224-S226 PolarHBondContact OD2-OG 3.31Å; S226-L228 PolarHBondContact O-N 3.3Å; S226-G230 VanDerWaalsContact O-CA 3.26Å; S226-G230 WeakPolarHBondContact O-CA 3.36Å; S226-G230 PolarHBondContact O-N 3.36Å; S226-E231 VanDerWaalsContact CA-O 3.23Å; S226-E231 WeakPolarHBondContact CA-O 3.35Å; S226-E231 WeakPolarHBondContact CB-O 3.47Å; S226-E231 PolarHBondContact N-O 2.92Å
227S66.6Low77.6Confident74 Ų7465.3 Ų65.352%0.51736%0.359SS..Hα-helixtrans-59.6-27.5172.1-60.90000113.7E225 G248E225-S227 PolarHBondContact O-N 3.01Å; E225-S227 VanDerWaalsContact O-N 3.08Å; S227-G248 VanDerWaalsContact CB-O 3.3Å; S227-G248 WeakPolarHBondContact CB-O 3.44Å; S227-G248 PolarHBondContact OG-O 3.48Å
228L72.8Confident77.5Confident46 Ų4663 Ų6324%0.24135%0.351CS..Hα-helixtrans-110.6-43.3-177.7-62.1177.1000112.7E225 S226 L246 T249 A269 I272E225-L228 PolarHBondContact O-N 3.18Å; S226-L228 PolarHBondContact O-N 3.3Å; L228-L246 HydrophobicContact CD1-CB 3.55Å; L228-L246 HydrophobicContact CD1-CD1 3.73Å; L228-L246 HydrophobicContact CD1-CG 4.24Å; L228-T249 HydrophobicContact CD1-CG2 3.57Å; L228-T249 HydrophobicContact CG-CG2 4.09Å; L228-A269 HydrophobicContact CD2-CB 4.24Å; L228-I272 HydrophobicContact CD2-CD1 3.81Å
229T72.9Confident77.4Confident70 Ų7065.4 Ų65.443%0.42936%0.359SS..Hα-helixtrans-94.2-24.2-174.764.50000113.1E225 E231E225-T229 HydrophobicContact CB-CG2 4.05Å; E225-T229 PolarHBondContact O-N 2.91Å; E225-T229 PolarHBondContact O-OG1 3.42Å; T229-E231 PolarHBondContact O-N 3.36Å; T229-E231 PolarHBondContact OG1-N 3.2Å; T229-E231 VanDerWaalsContact OG1-N 3.12Å
230G57.1Low77.2Confident58 Ų5864.5 Ų64.560%0.59836%0.358SS*.  trans76.7-4.4-168.100000114.8S226S226-G230 VanDerWaalsContact O-CA 3.26Å; S226-G230 WeakPolarHBondContact O-CA 3.36Å; S226-G230 PolarHBondContact O-N 3.36Å
231E65.1Low77.2Confident129 Ų12966.4 Ų66.460%0.60336%0.361SS*.  trans-84.4124.8175.5-61.6-172.9164.500109.6S226 T229 D233S226-E231 VanDerWaalsContact CA-O 3.23Å; S226-E231 WeakPolarHBondContact CA-O 3.35Å; S226-E231 WeakPolarHBondContact CB-O 3.47Å; S226-E231 PolarHBondContact N-O 2.92Å; T229-E231 PolarHBondContact O-N 3.36Å; T229-E231 PolarHBondContact OG1-N 3.2Å; T229-E231 VanDerWaalsContact OG1-N 3.12Å; E231-D233 VanDerWaalsContact C-N 3.33Å
232S60Low77.4Confident97 Ų9766.7 Ų66.768%0.67836%0.362SS*.  trans-90.16.7-175-48.20000114.3
233D67.7Low77.7Confident131 Ų13165.1 Ų65.170%0.70136%0.356SS*.SBendtrans-87138.4-178.1-67.6-28.1000110.5E231 V235E231-D233 VanDerWaalsContact C-N 3.33Å; D233-V235 PolarHBondContact O-N 3.32Å
234Q77.6Confident78Confident85 Ų8565.1 Ų65.140%0.39736%0.355SS..EExtended strand (participates in β ladder)trans-71116.8-178.7-67.1179.3-4.100111.4K222 M252K222-Q234 HydrophobicContact CB-CB 4.35Å; K222-Q234 HydrophobicContact CD-CB 4.41Å; K222-Q234 VanDerWaalsContact CD-OE1 3.27Å; Q234-M252 HydrophobicContact CG-CB 4.24Å; Q234-M252 HydrophobicContact CG-CG 4.44Å
235V84.1Confident78.7Confident33 Ų3363.6 Ų63.620%0.235%0.347CS..EExtended strand (participates in β ladder)trans-83.7119.4178-174.50000109.5K222 I223 E225 D233 K237K222-V235 WeakPolarHBondContact CA-O 3.38Å; I223-V235 PolarHBondContact N-O 3.45Å; I223-V235 PolarHBondContact O-N 3.2Å; E225-V235 HydrophobicContact CG-CG2 4.18Å; D233-V235 PolarHBondContact O-N 3.32Å; V235-K237 HydrophobicContact CG1-CD 4.3Å
236R86Confident79.2Confident167 Ų16763 Ų6363%0.6334%0.344SS*.EExtended strand (participates in β ladder)trans-71.5126.4170.2-74-176.4-176.1-121.28.9109.9D220 K222D220-R236 IonicContact OD1-NH1 2.63Å; D220-R236 PolarHBondContact OD1-NH1 2.89Å; K222-R236 HydrophobicContact CG-CG 4.03Å
237K88.3Confident80.2Confident7 Ų762 Ų623%0.0334%0.337CS..PPolyproline II helixtrans-103.1141.8177.2-61-62.9-178169.80110.6L221 I223 E225 V235 D242 I244 L245L221-K237 HydrophobicContact CB-CB 4.4Å; L221-K237 HydrophobicContact CD2-CB 4.06Å; L221-K237 HydrophobicContact CG-CB 4.23Å; L221-K237 PolarHBondContact O-N 3.02Å; I223-K237 HydrophobicContact CD1-CG 3.97Å; I223-K237 HydrophobicContact CG1-CG 4.11Å; E225-K237 WeakPolarHBondContact OE1-CE 3.12Å; E225-K237 IonicContact OE1-NZ 2.77Å; E225-K237 PolarHBondContact OE1-NZ 3.48Å; V235-K237 HydrophobicContact CG1-CD 4.3Å; K237-D242 WeakPolarHBondContact CA-O 3.32Å; K237-D242 HydrophobicContact CD-CB 4.34Å; K237-D242 WeakPolarHBondContact CD-O 3.36Å; K237-D242 WeakPolarHBondContact CD-OD2 3.38Å; K237-D242 IonicContact NZ-OD1 2.7Å; K237-D242 IonicContact NZ-OD2 2.82Å; K237-D242 PolarHBondContact NZ-OD2 3.46Å; K237-I244 WeakPolarHBondContact CD-O 3.28Å; K237-I244 WeakPolarHBondContact CE-O 3.49Å; K237-I244 PolarHBondContact NZ-O 3.46Å; K237-L245 HydrophobicContact CB-CD2 4.35Å; K237-L245 HydrophobicContact CD-CD2 4.34Å; K237-L245 HydrophobicContact CG-CD2 3.91Å
238N85.5Confident81Confident65 Ų6559.6 Ų59.635%0.34833%0.325SS..BIsolated β-bridgetrans-161.2138.2179.8-172.3-69.6000110.2T240 K241 D242N238-T240 PolarHBondContact O-N 3.46Å; N238-T240 PolarHBondContact OD1-N 3.13Å; N238-T240 PolarHBondContact OD1-OG1 2.86Å; N238-K241 PolarHBondContact O-N 3.37Å; N238-K241 VanDerWaalsContact O-N 3.09Å; N238-D242 PolarHBondContact N-O 3.28Å; N238-D242 CarbonylContact O-C 3.52Å; N238-D242 PolarHBondContact O-N 2.89Å
239E84.9Confident81.8Confident77 Ų7757.4 Ų57.436%0.3631%0.313SS..THydrogen-bonded Turntrans-42.4-38.9175.4-65.5145.7-124.900113.7V215 Q217 C218V215-E239 HydrophobicContact CG1-CG 3.88Å; Q217-E239 VanDerWaalsContact CA-OE1 3.26Å; Q217-E239 WeakPolarHBondContact CA-OE1 3.36Å; C218-E239 PolarHBondContact N-OE1 3.17Å
240T82.5Confident82.3Confident93 Ų9355 Ų5557%0.57130%0.297SS*.THydrogen-bonded Turntrans-91.5-14.3-173.162.30000115.6N238N238-T240 PolarHBondContact O-N 3.46Å; N238-T240 PolarHBondContact OD1-N 3.13Å; N238-T240 PolarHBondContact OD1-OG1 2.86Å
241K83.3Confident83.7Confident145 Ų14552.2 Ų52.263%0.6327%0.269SS*.THydrogen-bonded Turntrans-130.5-40.2-170.7-73.2-174.1-179.7178.40114.7K37 L38 N238K37-K241 CarbonylContact C-O 3.47Å; K37-K241 WeakPolarHBondContact CA-O 3.2Å; L38-K241 PolarHBondContact N-O 3.06Å; N238-K241 PolarHBondContact O-N 3.37Å; N238-K241 VanDerWaalsContact O-N 3.09Å
242D89.2Confident84.4Confident8 Ų847.9 Ų47.94%0.04325%0.249CC..BIsolated β-bridgetrans-156.186.4177.3-168.823.3000108.7K37 K237 N238 I244K37-D242 WeakPolarHBondContact CA-OD1 3.36Å; K37-D242 HydrophobicContact CB-CB 4.41Å; K37-D242 HydrophobicContact CG-CB 4.18Å; K37-D242 PolarHBondContact N-OD1 3.47Å; K37-D242 VanDerWaalsContact N-OD1 3.14Å; K237-D242 WeakPolarHBondContact CA-O 3.32Å; K237-D242 HydrophobicContact CD-CB 4.34Å; K237-D242 WeakPolarHBondContact CD-O 3.36Å; K237-D242 WeakPolarHBondContact CD-OD2 3.38Å; K237-D242 IonicContact NZ-OD1 2.7Å; K237-D242 IonicContact NZ-OD2 2.82Å; K237-D242 PolarHBondContact NZ-OD2 3.46Å; N238-D242 PolarHBondContact N-O 3.28Å; N238-D242 CarbonylContact O-C 3.52Å; N238-D242 PolarHBondContact O-N 2.89Å; D242-I244 VanDerWaalsContact C-N 3.31Å
243P91.6Very high85.3Confident1 Ų147.2 Ų47.21%0.00624%0.235CC..  trans-88.32.3-175.537.2-38.1000112.5V41 I214 V215V41-P243 HydrophobicContact CG2-CG 3.94Å; I214-P243 CarbonylContact C-O 3.49Å; I214-P243 WeakPolarHBondContact CA-O 3.36Å; I214-P243 HydrophobicContact CG2-CB 4.26Å; V215-P243 HydrophobicContact CB-CB 4.37Å; V215-P243 WeakPolarHBondContact CG2-O 3.37Å; V215-P243 PolarHBondContact N-O 2.96Å
244I92.2Very high86Confident0 Ų042.4 Ų42.40%022%0.216CC..EExtended strand (participates in β ladder)trans-84.6130-175.3-83.7173.1000111.7L32 M33 C35 A40 I214 K237 D242 L246L32-I244 WeakPolarHBondContact O-CD1 3.48Å; M33-I244 HydrophobicContact CE-CB 4.33Å; M33-I244 HydrophobicContact CE-CG1 4.06Å; M33-I244 HydrophobicContact CE-CG2 3.66Å; C35-I244 WeakPolarHBondContact O-CD1 3.29Å; A40-I244 HydrophobicContact CB-CD1 3.41Å; A40-I244 VanDerWaalsContact CB-CD1 3.41Å; A40-I244 HydrophobicContact CB-CG1 4.09Å; I214-I244 HydrophobicContact CD1-CG1 3.66Å; K237-I244 WeakPolarHBondContact CD-O 3.28Å; K237-I244 WeakPolarHBondContact CE-O 3.49Å; K237-I244 PolarHBondContact NZ-O 3.46Å; D242-I244 VanDerWaalsContact C-N 3.31Å; I244-L246 HydrophobicContact CG2-CD2 3.64Å; I244-L246 HydrophobicContact CG2-CG 3.9Å
245L93Very high86.5Confident0 Ų040.8 Ų40.80%021%0.214CC..EExtended strand (participates in β ladder)trans-117.8134.8173.4-60.7-170.5000109.4M33 L209 D212 G213 V215 L221 I223 K237 M258M33-L245 VanDerWaalsContact CE-O 3.3Å; M33-L245 WeakPolarHBondContact CE-O 3.32Å; L209-L245 HydrophobicContact CD1-CB 3.78Å; L209-L245 HydrophobicContact CD1-CD1 4.47Å; L209-L245 HydrophobicContact CD1-CD2 4.4Å; L209-L245 HydrophobicContact CD1-CG 4.46Å; D212-L245 WeakPolarHBondContact CA-O 3.32Å; G213-L245 PolarHBondContact N-O 3.36Å; G213-L245 PolarHBondContact O-N 3.14Å; V215-L245 HydrophobicContact CG2-CD1 3.85Å; V215-L245 HydrophobicContact CG2-CD2 3.86Å; V215-L245 HydrophobicContact CG2-CG 3.71Å; L221-L245 HydrophobicContact CD2-CD2 4.17Å; I223-L245 HydrophobicContact CD1-CD2 3.3Å; K237-L245 HydrophobicContact CB-CD2 4.35Å; K237-L245 HydrophobicContact CD-CD2 4.34Å; K237-L245 HydrophobicContact CG-CD2 3.91Å; L245-M258 HydrophobicContact CB-SD 4.06Å; L245-M258 HydrophobicContact CD1-CB 3.57Å; L245-M258 HydrophobicContact CD1-CG 4.07Å; L245-M258 HydrophobicContact CD1-SD 3.48Å; L245-M258 WeakPolarHBondContact CD1-SD 3.38Å; L245-M258 HydrophobicContact CG-SD 4.41Å
246L92.1Very high86.7Confident1 Ų139.8 Ų39.81%0.00521%0.21CC..  trans-118.6134.2-170.8-60176.3000111.3M33 L209 L228 I244 T249 Q268M33-L246 HydrophobicContact CE-CD2 3.75Å; L209-L246 WeakPolarHBondContact CB-O 3.15Å; L228-L246 HydrophobicContact CD1-CB 3.55Å; L228-L246 HydrophobicContact CD1-CD1 3.73Å; L228-L246 HydrophobicContact CD1-CG 4.24Å; I244-L246 HydrophobicContact CG2-CD2 3.64Å; I244-L246 HydrophobicContact CG2-CG 3.9Å; L246-T249 HydrophobicContact CB-CG2 3.89Å; L246-T249 WeakPolarHBondContact O-CB 3.38Å; L246-T249 PolarHBondContact O-N 3.05Å; L246-T249 PolarHBondContact O-OG1 3.26Å; L246-Q268 HydrophobicContact CD2-CB 4.34Å; L246-Q268 HydrophobicContact CD2-CG 3.97Å
247S91Very high87Confident14 Ų1434.2 Ų34.210%0.09819%0.19CC..THydrogen-bonded Turntrans-56.2140.7173-171.80000110.9L209 P210 D212 T249 A269L209-S247 WeakPolarHBondContact O-CA 3.44Å; P210-S247 PolarHBondContact O-OG 3.04Å; D212-S247 VanDerWaalsContact OD1-CB 3.32Å; D212-S247 WeakPolarHBondContact OD1-CB 3.38Å; D212-S247 PolarHBondContact OD1-N 3.4Å; S247-T249 VanDerWaalsContact C-N 3.32Å; S247-T249 PolarHBondContact O-N 3.21Å; S247-A269 WeakPolarHBondContact O-CB 3.01Å
248G84.2Confident87.3Confident24 Ų2433.9 Ų33.925%0.24719%0.189CC..THydrogen-bonded Turntrans79.18.9-178.500000115.3L209 S227L209-G248 PolarHBondContact O-N 3.44Å; S227-G248 VanDerWaalsContact CB-O 3.3Å; S227-G248 WeakPolarHBondContact CB-O 3.44Å; S227-G248 PolarHBondContact OG-O 3.48Å
249T88.4Confident87.8Confident0 Ų030.8 Ų30.80%017%0.172CC..  trans-105.6159.7172.467.80000111.6L209 I223 D224 E225 L228 L246 S247L209-T249 PolarHBondContact N-O 3.44Å; I223-T249 WeakPolarHBondContact CG2-OG1 3.29Å; D224-T249 WeakPolarHBondContact O-CB 3.25Å; E225-T249 HydrophobicContact CB-CG2 4.3Å; E225-T249 HydrophobicContact CG-CG2 4.26Å; L228-T249 HydrophobicContact CD1-CG2 3.57Å; L228-T249 HydrophobicContact CG-CG2 4.09Å; L246-T249 HydrophobicContact CB-CG2 3.89Å; L246-T249 WeakPolarHBondContact O-CB 3.38Å; L246-T249 PolarHBondContact O-N 3.05Å; L246-T249 PolarHBondContact O-OG1 3.26Å; S247-T249 VanDerWaalsContact C-N 3.32Å; S247-T249 PolarHBondContact O-N 3.21Å
250H84Confident88.3Confident20 Ų2027.1 Ų27.19%0.09316%0.155CC..EExtended strand (participates in β ladder)trans-113134-170.8-62.4-67.5000112.7I223 D224 M252 V822 E825I223-H250 CarbonylContact C-O 3.55Å; I223-H250 VanDerWaalsContact CA-O 3.3Å; I223-H250 WeakPolarHBondContact CA-O 3.48Å; I223-H250 WeakPolarHBondContact CG2-O 3.41Å; D224-H250 HydrophobicContact CB-CB 4.47Å; D224-H250 PolarHBondContact N-O 2.9Å; D224-H250 PolarHBondContact O-N 2.96Å; H250-M252 HydrophobicContact CB-SD 4.28Å; H250-M252 PolarHBondContact O-N 2.93Å; H250-V822 HydrophobicContact CB-CG2 3.87Å; H250-E825 IonicContact CE1-OE2 3.7Å; H250-E825 PolarHBondContact CE1-OE2 2.73Å; H250-E825 IonicContact NE2-OE2 3.92Å
251V87.2Confident88.8Confident0 Ų022.7 Ų22.70%013%0.128CC..EExtended strand (participates in β ladder)trans-78.4111174-173.70000109.9V203 K204 G206 D207 L209 L221 I223V203-V251 HydrophobicContact CB-CG2 4.45Å; K204-V251 WeakPolarHBondContact O-CB 3.31Å; K204-V251 WeakPolarHBondContact O-CG1 3.45Å; G206-V251 PolarHBondContact N-O 3.37Å; D207-V251 HydrophobicContact CB-CG2 4.22Å; D207-V251 PolarHBondContact O-N 2.98Å; L209-V251 HydrophobicContact CD2-CG2 3.8Å; L209-V251 HydrophobicContact CG-CG2 4.29Å; L221-V251 HydrophobicContact CD1-CG1 3.56Å; I223-V251 HydrophobicContact CD1-CG2 4.47Å
252M78.6Confident89.3Confident37 Ų3716 Ų1618%0.18210%0.1CC..EExtended strand (participates in β ladder)trans-94.8-28.6-173.2-67-54.8-69.600114.2Y205 K222 D224 Q234 H250Y205-M252 WeakPolarHBondContact CD2-O 3.47Å; Y205-M252 WeakPolarHBondContact CE2-O 3.28Å; K222-M252 PolarHBondContact O-N 3.44Å; D224-M252 HydrophobicContact CB-CG 3.52Å; D224-M252 HydrophobicContact CB-SD 4.09Å; Q234-M252 HydrophobicContact CG-CB 4.24Å; Q234-M252 HydrophobicContact CG-CG 4.44Å; H250-M252 HydrophobicContact CB-SD 4.28Å; H250-M252 PolarHBondContact O-N 2.93Å
253E79.9Confident89.5Confident84 Ų8415.6 Ų15.639%0.39310%0.098SC..EExtended strand (participates in β ladder)trans-152160171.4-61.8-176.2-166.400110.3L221 K222L221-E253 WeakPolarHBondContact CA-O 3.44Å; K222-E253 HydrophobicContact CB-CB 4.09Å; K222-E253 HydrophobicContact CD-CB 4.12Å; K222-E253 HydrophobicContact CD-CG 4.27Å; K222-E253 VanDerWaalsContact CE-OE2 3.26Å; K222-E253 WeakPolarHBondContact CE-OE2 3.34Å; K222-E253 HydrophobicContact CG-CB 4.26Å; K222-E253 PolarHBondContact N-O 3.36Å; K222-E253 VanDerWaalsContact NZ-CD 3.3Å; K222-E253 IonicContact NZ-OE1 2.66Å; K222-E253 PolarHBondContact NZ-OE1 2.89Å; K222-E253 IonicContact NZ-OE2 3.14Å; K222-E253 PolarHBondContact NZ-OE2 3.39Å; K222-E253 PolarHBondContact O-N 3.5Å
254G81.7Confident89.3Confident29 Ų2915.6 Ų15.630%0.29910%0.098SC..EExtended strand (participates in β ladder)trans80.2-164.2173.900000115.4Y205 N219Y205-G254 PolarHBondContact N-O 3.02Å; N219-G254 VanDerWaalsContact O-CA 3.23Å; N219-G254 WeakPolarHBondContact O-CA 3.37Å
255S87.7Confident89.1Confident52 Ų5218.1 Ų18.136%0.36411%0.114SC..EExtended strand (participates in β ladder)trans-156.2169.3176.963.10000111.9V203 N219V203-S255 CarbonylContact O-C 3.54Å; V203-S255 VanDerWaalsContact O-CA 3.3Å; V203-S255 WeakPolarHBondContact O-CA 3.44Å; V203-S255 WeakPolarHBondContact O-CB 3.41Å; N219-S255 PolarHBondContact N-O 2.99Å; N219-S255 PolarHBondContact O-N 3.31Å
256G89.9Confident88.9Confident11 Ų1120.4 Ų20.411%0.11313%0.127CC..EExtended strand (participates in β ladder)trans-177.8-171.7178.400000114.6V203 Q217V203-G256 WeakPolarHBondContact CG2-O 3.44Å; V203-G256 PolarHBondContact N-O 2.83Å; V203-G256 PolarHBondContact O-N 3.39Å; Q217-G256 CarbonylContact O-C 3.58Å; Q217-G256 WeakPolarHBondContact O-CA 3.14Å
257K92.7Very high88.8Confident50 Ų5020.4 Ų20.422%0.21713%0.126CC..EExtended strand (participates in β ladder)trans-127.2142.9171-65.1-176.8179.2-173.30109.1I182 V200 C201 I216 Q217I182-K257 HydrophobicContact CD1-CD 4Å; V200-K257 HydrophobicContact CG1-CB 4.44Å; C201-K257 CarbonylContact O-C 3.56Å; C201-K257 WeakPolarHBondContact O-CA 3.4Å; I216-K257 HydrophobicContact CB-CB 4.38Å; I216-K257 HydrophobicContact CD1-CB 4.5Å; I216-K257 PolarHBondContact N-O 2.97Å; Q217-K257 HydrophobicContact CB-CB 4.49Å; Q217-K257 PolarHBondContact N-O 3.24Å; Q217-K257 PolarHBondContact O-N 3.29Å
258M94.1Very high88.6Confident0 Ų020.9 Ų20.90%013%0.127CC..EExtended strand (participates in β ladder)trans-134.6147.8176.575.3178.5-145.300111.8V200 C201 V203 I214 L245 V260V200-M258 CarbonylContact C-O 3.5Å; V200-M258 VanDerWaalsContact CA-O 3.3Å; V200-M258 WeakPolarHBondContact CA-O 3.37Å; C201-M258 HydrophobicContact CB-CE 3.97Å; C201-M258 HydrophobicContact CB-CG 3.76Å; C201-M258 HydrophobicContact CB-SD 4.42Å; C201-M258 PolarHBondContact N-O 2.77Å; C201-M258 PolarHBondContact O-N 3.49Å; V203-M258 HydrophobicContact CG1-CG 4.28Å; V203-M258 HydrophobicContact CG1-SD 3.95Å; I214-M258 CarbonylContact O-C 3.6Å; I214-M258 WeakPolarHBondContact O-CA 3.39Å; I214-M258 WeakPolarHBondContact O-CB 3.23Å; L245-M258 HydrophobicContact CB-SD 4.06Å; L245-M258 HydrophobicContact CD1-CB 3.57Å; L245-M258 HydrophobicContact CD1-CG 4.07Å; L245-M258 HydrophobicContact CD1-SD 3.48Å; L245-M258 WeakPolarHBondContact CD1-SD 3.38Å; L245-M258 HydrophobicContact CG-SD 4.41Å; M258-V260 HydrophobicContact CE-CG2 4.01Å
259V95Very high88.5Confident0 Ų020.7 Ų20.70%012%0.123CC..EExtended strand (participates in β ladder)trans-92.6130.6165.662.10000109.3L54 L58 T60 D199 G213 I214 I216L54-V259 HydrophobicContact CD2-CG1 4.38Å; L58-V259 HydrophobicContact CD1-CG2 4.07Å; T60-V259 HydrophobicContact CG2-CG2 4.02Å; D199-V259 WeakPolarHBondContact O-CA 3.4Å; G213-V259 CarbonylContact C-O 3.4Å; G213-V259 WeakPolarHBondContact CA-O 3.36Å; I214-V259 HydrophobicContact CB-CG1 4.07Å; I214-V259 PolarHBondContact N-O 3.08Å; I214-V259 PolarHBondContact O-N 2.93Å; I216-V259 HydrophobicContact CD1-CB 4.07Å; I216-V259 HydrophobicContact CG1-CB 4.31Å; I216-V259 HydrophobicContact CG1-CG1 4.43Å
260V95.5Very high88.1Confident0 Ų020.8 Ų20.80%012%0.124CC..EExtended strand (participates in β ladder)trans-73125.9178.5178.20000110.3I195 G198 D199 C201 A211 D212 M258 V263I195-V260 HydrophobicContact CG2-CG1 4.34Å; I195-V260 HydrophobicContact CG2-CG2 3.85Å; G198-V260 PolarHBondContact N-O 3.29Å; D199-V260 HydrophobicContact CB-CG2 4.1Å; D199-V260 PolarHBondContact O-N 2.89Å; C201-V260 VanDerWaalsContact SG-CG2 3.51Å; A211-V260 HydrophobicContact CB-CG1 3.75Å; A211-V260 HydrophobicContact CB-CG2 4.36Å; D212-V260 WeakPolarHBondContact O-CA 3.49Å; M258-V260 HydrophobicContact CE-CG2 4.01Å; V260-V263 HydrophobicContact CG1-CG1 3.55Å
261T93.1Very high88.1Confident1 Ų121.6 Ų21.61%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-109.4-34.5-178.9510000113.1L29 L32 M33 L54 D212 G213 I214L29-T261 HydrophobicContact CD2-CG2 4.17Å; L32-T261 HydrophobicContact CD2-CG2 4.44Å; M33-T261 PolarHBondContact SD-OG1 2.82Å; L54-T261 HydrophobicContact CD2-CG2 4.1Å; D212-T261 PolarHBondContact O-N 2.97Å; D212-T261 PolarHBondContact O-OG1 3.47Å; G213-T261 WeakPolarHBondContact CA-OG1 3.45Å; I214-T261 HydrophobicContact CG1-CG2 3.84Å
262A93.2Very high87.7Confident4 Ų425 Ų253%0.03315%0.146CC..EExtended strand (participates in β ladder)trans-144.8143176.600000112.6D212 N266D212-A262 HydrophobicContact CB-CB 4.03Å; D212-A262 PolarHBondContact N-O 3.2Å; D212-A262 PolarHBondContact O-N 3.47Å; A262-N266 HydrophobicContact CB-CB 4.4Å
263V93.7Very high87.3Confident0 Ų027.9 Ų27.90%016%0.158CC..  trans-130.5155.4-173.6-65.50000111.7G79 N81 V197 A211 V260 N266G79-V263 WeakPolarHBondContact O-CG2 3.43Å; N81-V263 HydrophobicContact CB-CB 3.84Å; N81-V263 HydrophobicContact CB-CG1 4.19Å; V197-V263 HydrophobicContact CG2-CG1 4.13Å; V197-V263 HydrophobicContact CG2-CG2 4.02Å; A211-V263 HydrophobicContact CB-CG1 4.07Å; V260-V263 HydrophobicContact CG1-CG1 3.55Å; V263-N266 PolarHBondContact O-N 3.48Å; V263-N266 VanDerWaalsContact O-N 3.08Å
264G88.8Confident86.9Confident0 Ų026.2 Ų26.20%016%0.158CC..G310 helixtrans52.9-129.7173.200000112.4N81 N266 S267 G270N81-G264 PolarHBondContact OD1-N 2.85Å; G264-N266 PolarHBondContact O-N 2.8Å; G264-N266 VanDerWaalsContact O-N 3.15Å; G264-S267 PolarHBondContact O-N 3.19Å; G264-S267 VanDerWaalsContact O-N 3.15Å; G264-S267 PolarHBondContact O-OG 3.46Å; G264-G270 WeakPolarHBondContact O-CA 3.45Å
265P86.3Confident86.5Confident54 Ų5430.3 Ų30.335%0.35117%0.173SC..G310 helixtrans-67.1-12-177.530.4-36.7000114.5I271P265-I271 WeakPolarHBondContact O-CG1 3.36Å
266N90.1Very high85.4Confident48 Ų4833.5 Ų33.526%0.25719%0.185SC..G310 helixtrans-89.2-11.8176.7-65.5-32.1000113F78 A262 V263 G264F78-N266 PolarHBondContact O-ND2 3.36Å; A262-N266 HydrophobicContact CB-CB 4.4Å; V263-N266 PolarHBondContact O-N 3.48Å; V263-N266 VanDerWaalsContact O-N 3.08Å; G264-N266 PolarHBondContact O-N 2.8Å; G264-N266 VanDerWaalsContact O-N 3.15Å
267S90.5Very high83.8Confident0 Ų034.7 Ų34.70%019%0.191CC..SBendtrans-75.3156173.1680000111.7D212 G264 A269 G270 I271D212-S267 VanDerWaalsContact OD2-CA 3.26Å; D212-S267 WeakPolarHBondContact OD2-CA 3.39Å; G264-S267 PolarHBondContact O-N 3.19Å; G264-S267 VanDerWaalsContact O-N 3.15Å; G264-S267 PolarHBondContact O-OG 3.46Å; S267-A269 VanDerWaalsContact C-N 3.32Å; S267-A269 PolarHBondContact O-N 3.36Å; S267-G270 CarbonylContact O-C 3.48Å; S267-G270 WeakPolarHBondContact O-CA 3.47Å; S267-G270 PolarHBondContact O-N 3.5Å; S267-G270 PolarHBondContact OG-N 3.03Å; S267-G270 VanDerWaalsContact OG-N 3.1Å; S267-I271 WeakPolarHBondContact O-CD1 3.12Å; S267-I271 VanDerWaalsContact O-CG1 3.27Å; S267-I271 WeakPolarHBondContact O-CG1 3.45Å; S267-I271 PolarHBondContact O-N 3.48Å
268Q85.6Confident82.1Confident25 Ų2535.3 Ų35.312%0.11720%0.202CC..Hα-helixtrans-55.2-44.5177.9-69.2-66.2-3200112.3M33 D34 D212 L246 I271 I272M33-Q268 HydrophobicContact CB-CG 4.3Å; M33-Q268 PolarHBondContact O-NE2 2.8Å; D34-Q268 PolarHBondContact OD1-NE2 3.24Å; D212-Q268 WeakPolarHBondContact OD2-CG 3.49Å; D212-Q268 PolarHBondContact OD2-N 3.44Å; L246-Q268 HydrophobicContact CD2-CB 4.34Å; L246-Q268 HydrophobicContact CD2-CG 3.97Å; Q268-I271 PolarHBondContact O-N 3.22Å; Q268-I272 WeakPolarHBondContact O-CD1 3.33Å; Q268-I272 WeakPolarHBondContact O-CG1 3.25Å; Q268-I272 PolarHBondContact O-N 3.25Å; Q268-I272 VanDerWaalsContact O-N 3.11Å
269A81.8Confident79.5Confident20 Ų2038 Ų3817%0.16523%0.23CC..Hα-helixtrans-62.8-41.2172.900000112.7L228 S247 S267 I272 F273L228-A269 HydrophobicContact CD2-CB 4.24Å; S247-A269 WeakPolarHBondContact O-CB 3.01Å; S267-A269 VanDerWaalsContact C-N 3.32Å; S267-A269 PolarHBondContact O-N 3.36Å; A269-I272 PolarHBondContact O-N 2.99Å; A269-F273 WeakPolarHBondContact O-CB 3.33Å; A269-F273 PolarHBondContact O-N 2.74Å
270G81.5Confident76.8Confident1 Ų142.1 Ų42.11%0.0126%0.259CS..Hα-helixtrans-63.5-40.3176.900000113.6G264 S267 F273 A274G264-G270 WeakPolarHBondContact O-CA 3.45Å; S267-G270 CarbonylContact O-C 3.48Å; S267-G270 WeakPolarHBondContact O-CA 3.47Å; S267-G270 PolarHBondContact O-N 3.5Å; S267-G270 PolarHBondContact OG-N 3.03Å; S267-G270 VanDerWaalsContact OG-N 3.1Å; G270-F273 PolarHBondContact O-N 2.93Å; G270-A274 WeakPolarHBondContact O-CB 3.26Å; G270-A274 PolarHBondContact O-N 3.26Å
271I82.9Confident74Confident38 Ų3848 Ų4820%0.19529%0.286CS..Hα-helixtrans-64-48.3176.2-64.1155.4000110.1Q30 P265 S267 Q268 F273 A274 L275Q30-I271 HydrophobicContact CG-CD1 4.06Å; P265-I271 WeakPolarHBondContact O-CG1 3.36Å; S267-I271 WeakPolarHBondContact O-CD1 3.12Å; S267-I271 VanDerWaalsContact O-CG1 3.27Å; S267-I271 WeakPolarHBondContact O-CG1 3.45Å; S267-I271 PolarHBondContact O-N 3.48Å; Q268-I271 PolarHBondContact O-N 3.22Å; I271-F273 VanDerWaalsContact C-N 3.34Å; I271-F273 PolarHBondContact O-N 3.32Å; I271-A274 PolarHBondContact O-N 2.88Å; I271-L275 HydrophobicContact CG2-CD1 4.13Å; I271-L275 WeakPolarHBondContact O-CG 3.38Å; I271-L275 PolarHBondContact O-N 3.45Å
272I78.3Confident71.2Confident71 Ų7154.9 Ų54.936%0.36432%0.323SS..Hα-helixtrans-60.7-44176.7-67.7163.9000110.6L228 Q268 A269 A274 L275 L276L228-I272 HydrophobicContact CD2-CD1 3.81Å; Q268-I272 WeakPolarHBondContact O-CD1 3.33Å; Q268-I272 WeakPolarHBondContact O-CG1 3.25Å; Q268-I272 PolarHBondContact O-N 3.25Å; Q268-I272 VanDerWaalsContact O-N 3.11Å; A269-I272 PolarHBondContact O-N 2.99Å; I272-A274 PolarHBondContact O-N 3.39Å; I272-L275 PolarHBondContact O-N 2.92Å; I272-L276 HydrophobicContact CG2-CD1 4.03Å; I272-L276 WeakPolarHBondContact O-CG 3.41Å; I272-L276 PolarHBondContact O-N 3.2Å
273F70.4Confident68.3Low98 Ų9863.5 Ų63.543%0.4336%0.362SS..Hα-helixtrans-64.7-38.7177.9-168.8-86.3000112.5I83 A269 G270 I271 L276 S277I83-F273 HydrophobicContact CG2-CB 4.46Å; I83-F273 HydrophobicContact CG2-CD1 3.33Å; I83-F273 HydrophobicContact CG2-CE1 3.71Å; I83-F273 HydrophobicContact CG2-CG 4Å; A269-F273 WeakPolarHBondContact O-CB 3.33Å; A269-F273 PolarHBondContact O-N 2.74Å; G270-F273 PolarHBondContact O-N 2.93Å; I271-F273 VanDerWaalsContact C-N 3.34Å; I271-F273 PolarHBondContact O-N 3.32Å; F273-L276 PolarHBondContact O-N 3.07Å; F273-S277 WeakPolarHBondContact CE1-OG 3.15Å; F273-S277 VanDerWaalsContact O-CB 3.3Å; F273-S277 WeakPolarHBondContact O-CB 3.3Å; F273-S277 PolarHBondContact O-N 3.1Å; F273-S277 PolarHBondContact O-OG 3.41Å
274A73.1Confident65.2Low49 Ų4970.8 Ų70.841%0.40540%0.396SS..Hα-helixtrans-63.4-43.1174.900000111.5G270 I271 I272 S277 S278G270-A274 WeakPolarHBondContact O-CB 3.26Å; G270-A274 PolarHBondContact O-N 3.26Å; I271-A274 PolarHBondContact O-N 2.88Å; I272-A274 PolarHBondContact O-N 3.39Å; A274-S277 PolarHBondContact O-N 3.39Å; A274-S278 PolarHBondContact O-N 3.37Å; A274-S278 PolarHBondContact O-OG 3.47Å
275L73.4Confident62.3Low115 Ų11573.3 Ų73.360%0.60242%0.422SS*.Hα-helixtrans-64.8-40.5176.3-70.7168.6000112.9I271 I272 S277 S278 G279I271-L275 HydrophobicContact CG2-CD1 4.13Å; I271-L275 WeakPolarHBondContact O-CG 3.38Å; I271-L275 PolarHBondContact O-N 3.45Å; I272-L275 PolarHBondContact O-N 2.92Å; L275-S277 VanDerWaalsContact C-N 3.32Å; L275-S278 WeakPolarHBondContact CA-OG 3.29Å; L275-S278 PolarHBondContact O-OG 3.06Å; L275-G279 PolarHBondContact O-N 2.81Å
276L64Low59.3Low119 Ų11975.2 Ų75.262%0.62345%0.452SS*.Hα-helixtrans-66.5-36.2174.1-70.7171000112I272 F273 S280I272-L276 HydrophobicContact CG2-CD1 4.03Å; I272-L276 WeakPolarHBondContact O-CG 3.41Å; I272-L276 PolarHBondContact O-N 3.2Å; F273-L276 PolarHBondContact O-N 3.07Å; L276-S280 PolarHBondContact O-N 2.66Å; L276-S280 PolarHBondContact O-OG 3.26Å
277S56.1Low56.3Low35 Ų3576.3 Ų76.325%0.24547%0.474CS..Hα-helixtrans-71.1-39.1177.4-61.10000112.2F273 A274 L275 S280F273-S277 WeakPolarHBondContact CE1-OG 3.15Å; F273-S277 VanDerWaalsContact O-CB 3.3Å; F273-S277 WeakPolarHBondContact O-CB 3.3Å; F273-S277 PolarHBondContact O-N 3.1Å; F273-S277 PolarHBondContact O-OG 3.41Å; A274-S277 PolarHBondContact O-N 3.39Å; L275-S277 VanDerWaalsContact C-N 3.32Å; S277-S280 PolarHBondContact O-N 3.29Å
278S55.9Low53.3Low64 Ų6479.8 Ų79.845%0.44851%0.51SS..Hα-helixtrans-71.3-38.4175.160.10000112.5A274 L275 S280 H281A274-S278 PolarHBondContact O-N 3.37Å; A274-S278 PolarHBondContact O-OG 3.47Å; L275-S278 WeakPolarHBondContact CA-OG 3.29Å; L275-S278 PolarHBondContact O-OG 3.06Å; S278-S280 PolarHBondContact O-N 2.93Å; S278-S280 VanDerWaalsContact O-N 3.1Å; S278-H281 WeakPolarHBondContact O-CB 2.83Å; S278-H281 PolarHBondContact O-N 2.94Å
279G40.8Very low50.5Low56 Ų5687.1 Ų87.158%0.57754%0.544SS*.Hα-helixtrans-62.5-16.7174.400000114.4L275L275-G279 PolarHBondContact O-N 2.81Å
280S38.1Very low47.8Very low87 Ų8795.2 Ų95.261%0.60858%0.579SS**THydrogen-bonded Turntrans-86.1-6.9173.4-55.90000113.6L276 S277 S278L276-S280 PolarHBondContact O-N 2.66Å; L276-S280 PolarHBondContact O-OG 3.26Å; S277-S280 PolarHBondContact O-N 3.29Å; S278-S280 PolarHBondContact O-N 2.93Å; S278-S280 VanDerWaalsContact O-N 3.1Å
281H37Very low45.2Very low124 Ų124103.9 Ų103.957%0.57462%0.616SS**THydrogen-bonded Turntrans-92.4-18.3-177.3-100.2-80.1000114.3S278 E283 H284 G285S278-H281 WeakPolarHBondContact O-CB 2.83Å; S278-H281 PolarHBondContact O-N 2.94Å; H281-E283 VanDerWaalsContact C-N 3.33Å; H281-E283 PolarHBondContact O-N 3.36Å; H281-H284 CarbonylContact O-C 3.46Å; H281-H284 VanDerWaalsContact O-C 3.31Å; H281-H284 PolarHBondContact O-N 3.12Å; H281-G285 PolarHBondContact O-N 2.97Å
282D33.4Very low42.7Very low145 Ų145111.8 Ų111.878%0.77565%0.649SS**THydrogen-bonded Turntrans-76.2-11.5-174.2-75.1-29.5000114.9
283E33.3Very low40.1Very low185 Ų185117.8 Ų117.886%0.86467%0.673SS**THydrogen-bonded Turntrans-81.5-18.8169.1-71.2-163.2148.200113.1H281H281-E283 VanDerWaalsContact C-N 3.33Å; H281-E283 PolarHBondContact O-N 3.36Å
284H27.9Very low38.1Very low152 Ų152122.4 Ų122.470%0.70470%0.696SS**SBendtrans-139.459.9179.6-80.92.5000111.7H281H281-H284 CarbonylContact O-C 3.46Å; H281-H284 VanDerWaalsContact O-C 3.31Å; H281-H284 PolarHBondContact O-N 3.12Å
285G27.5Very low35.7Very low54 Ų54129.5 Ų129.556%0.55772%0.717SS**  trans-139.812.1-172.900000116.9H281 G287H281-G285 PolarHBondContact O-N 2.97Å; G285-G287 PolarHBondContact O-N 2.87Å
286G24.4Very low33.6Very low94 Ų94129.7 Ų129.797%0.96973%0.729SS**  trans-73.852.8-179.500000115.2
287G26.8Very low31.7Very low70 Ų70133.4 Ų133.472%0.72274%0.74SS**  trans-113.2109.6176.800000111G285G285-G287 PolarHBondContact O-N 2.87Å
288G26.2Very low30.5Very low74 Ų74138.3 Ų138.376%0.76377%0.768SS**  trans-65.9138.8-169.900000114.4E290G288-E290 PolarHBondContact O-N 2.94Å
289Q27.2Very low29Very low178 Ų178144.4 Ų144.483%0.83279%0.787SS**  trans-65.1100.8149.6-79.8-174.8-10.100108.1K291Q289-K291 PolarHBondContact O-N 3.37Å
290E25.9Very low28.4Very low191 Ų191151.6 Ų151.689%0.89380%0.802SS**  trans-62.689.8159-74.1-166.9122.500109G288 K292G288-E290 PolarHBondContact O-N 2.94Å; E290-K292 PolarHBondContact O-N 2.96Å; E290-K292 VanDerWaalsContact O-N 3.09Å
291K27.4Very low27.7Very low183 Ų183155.7 Ų155.780%0.79682%0.817SS**  trans-62112.5158.3-80-171.6174.9-1780107.2Q289 K293Q289-K291 PolarHBondContact O-N 3.37Å; K291-K293 PolarHBondContact O-N 2.99Å
292K28.6Very low27.3Very low203 Ų203153.8 Ų153.888%0.88383%0.831SS**  trans-47.4136.7173.8-84.3179.6172.6176.90110.1E290 E294E290-K292 PolarHBondContact O-N 2.96Å; E290-K292 VanDerWaalsContact O-N 3.09Å; K292-E294 PolarHBondContact O-N 3.34Å
293K24.3Very low26.9Very low198 Ų198156.1 Ų156.186%0.86183%0.834SS**  trans-55121.5176.2-66.3164.9179.3165.10110.5K291K291-K293 PolarHBondContact O-N 2.99Å
294E28Very low26.4Very low195 Ų195157.1 Ų157.191%0.91184%0.836SS**  trans-112.3134.6146.3-124.6176-172.300108.5K292K292-E294 PolarHBondContact O-N 3.34Å
295K23.5Very low26.3Very low197 Ų197153.9 Ų153.986%0.85784%0.843SS**  trans-99.8116.3-172-71.3173.2175.9172.70110.2
296S28.6Very low26.1Very low120 Ų120158.3 Ų158.384%0.83985%0.854SS**  trans-157139.2143.555.70000113.5
297K25.7Very low26.4Very low197 Ų197163.4 Ų163.486%0.85785%0.849SS**  trans-52.4153.2176.6-53.9152178.7176.20110.3
298T29.1Very low26.2Very low138 Ų138167.1 Ų167.185%0.84785%0.853SS**  -170.3156.555.9-52.90000112.2
299K24.5Very low26.5Very low191 Ų191169.1 Ų169.183%0.8386%0.855SS**  trans-69148.8175.1-62.5168.3171.9175.30113.9
300K29.9Very low26.4Very low208 Ų208167.5 Ų167.590%0.90485%0.852SS**  -177.5155.1112.1-104.2178.3177.5179.70114.5
301N23.4Very low26.6Very low173 Ų173168.4 Ų168.493%0.92585%0.853SS**  trans-79.5158.6176-68.1-22.5000112.9
302G28.5Very low26.5Very low83 Ų83166 Ų16686%0.85685%0.853SS**  trans-168142.1164.300000112.4
303K24.2Very low26.7Very low194 Ų194161.6 Ų161.684%0.84385%0.845SS**  trans-133.9137.3-171.3-154.2-175.3-170.4174.60110.2
304K23.2Very low26.8Very low207 Ų207157.9 Ų157.990%0.984%0.844SS**  trans64.4138.5169.9-66.2-175.6174-1740118.7
305G26.3Very low26.9Very low83 Ų83153.1 Ų153.186%0.85684%0.839SS**  trans166.3133.9163.100000111.5
306N23.2Very low27Very low147 Ų147151.7 Ų151.779%0.78684%0.84SS**  trans-134.7136-172.2178.726.3000110.7
307K29.8Very low26.7Very low202 Ų202151.1 Ų151.188%0.87884%0.836SS**  trans175.2149.7145.1-101.5168.4-179.5-175.10113.8
308N23.8Very low26.7Very low148 Ų148149.2 Ų149.279%0.79184%0.835SS**  trans-84.1159.7-180-60.2-11.7000113.8
309S30.4Very low26.6Very low116 Ų116146.8 Ų146.881%0.81183%0.829SS**  -161.7159.1124.858.10000112.3
310D25.2Very low26.6Very low144 Ų144148.6 Ų148.677%0.7783%0.832SS**  trans-90.9151.7-155.1-48.7-89.2000117.4
311K30.2Very low26.3Very low210 Ų210147 Ų14791%0.91383%0.828SS**  -174.3159.7121.5-99.2166.3-177.5179.90112.9
312V26.2Very low26.3Very low132 Ų132145.1 Ų145.180%0.882%0.816SS**  trans-133.4166.1-157.3161.10000108.2
313P32.6Very low26.1Very low110 Ų110149.5 Ų149.571%0.71481%0.811SS**  cis-136.6178.71119.67.8000119.8
314S26Very low26.1Very low120 Ų120145 Ų14584%0.83980%0.804SS**  trans85.8140.4153.880.90000118.3
315A30.2Very low26.2Very low96 Ų96143.6 Ų143.679%0.79380%0.798SS**  cis-137.31663.600000112.8
316N26.2Very low26.3Very low166 Ų166146.6 Ų146.689%0.88879%0.794SS**  trans-82.9142.6-158-74.4-14.3000118
317S22.7Very low26.4Very low108 Ų108148.6 Ų148.676%0.75580%0.796SS**  -126.2158.8126.348.10000106.9
318D24.8Very low26.3Very low157 Ų157145.3 Ų145.384%0.8479%0.793SS**  cis-149.6177.23.6-149.4-40.5000109.6
319A27.9Very low26.3Very low87 Ų87147.3 Ų147.372%0.71980%0.795SS**  trans154.3138.8138.100000115.9
320Y24.2Very low26Very low229 Ų229147.7 Ų147.790%0.89880%0.797SS**  trans-137121164.4-119-80.9000111
321Q22.2Very low25.9Very low174 Ų174149 Ų14981%0.81380%0.798SS**  trans150.5139.6160.1-87.2178.64800108.4
322M24.9Very low25.6Very low135 Ų135144.1 Ų144.167%0.66579%0.791SS**  cis-161.2150.26.9-132.2-163.3-163.500112.5
323K23.3Very low25.4Very low175 Ų175145.6 Ų145.676%0.76180%0.795SS**  trans76.2131.3144.7-79.5174.1178167.80125.2
324S24.5Very low25.2Very low100 Ų100145.3 Ų145.370%0.69980%0.802SS**  trans83.2140.4134.2-169.10000118.6
325K25.5Very low25.2Very low177 Ų177148.9 Ų148.977%0.7781%0.805SS**  cis-165.8151.65.1-128.6172-167170.30112.9
326N28.4Very low24.9Very low145 Ų145153.9 Ų153.978%0.77581%0.812SS**  trans159.6108.8136.5-85.8-13.4000110.4
327K25.5Very low25Very low190 Ų190150.9 Ų150.983%0.82680%0.804SS**  63.212186.9-83.8-170171.2-174.60113.9
328T26.5Very low25Very low132 Ų132151.5 Ų151.581%0.8181%0.808SS**  -145.2150.668.226.70000117.8
329K24.1Very low25.1Very low191 Ų191153.1 Ų153.183%0.8381%0.808SS**  trans9.5143.1155.4-63.1-177.7172.9-1710120.4
330S25.7Very low25Very low123 Ų123154.5 Ų154.586%0.8681%0.81SS**  cis-142.8176.946.248.60000116
331E22.6Very low25.1Very low171 Ų171153.6 Ų153.680%0.79981%0.81SS**  trans-110.7146.1-160.8-66.7149136.900114.9
332S22.9Very low25.3Very low109 Ų109155.3 Ų155.376%0.76282%0.815SS**  -177.5125.2124.2270000113.1
333D22.6Very low25.3Very low163 Ų163158.1 Ų158.187%0.87282%0.823SS**  trans41.4107146.8-50-28000122.4
334A28.3Very low25.5Very low104 Ų104155.5 Ų155.586%0.8683%0.825SS**  trans-151.5128147.100000111.6
335E27Very low25.9Very low195 Ų195159.5 Ų159.591%0.91182%0.824SS**  trans-65.6149.9-176-65.9176.1110.500114.6S337E335-S337 PolarHBondContact O-N 3.37Å
336Q22.5Very low26Very low201 Ų201162 Ų16294%0.93983%0.829SS**  trans-68.1116.5171.2-67.6177.5-6.500111.4
337S28.2Very low26.5Very low103 Ų103164.9 Ų164.972%0.7283%0.834SS**  trans-119.4108.7159.762.70000111.3E335 K339E335-S337 PolarHBondContact O-N 3.37Å; S337-K339 PolarHBondContact O-N 3.14Å; S337-K339 VanDerWaalsContact O-N 3.08Å
338S24.4Very low27.5Very low121 Ų121163.2 Ų163.285%0.84683%0.83SS**  trans-7493.7176.243.90000110.6P340S338-P340 WeakPolarHBondContact O-CD 3.45Å
339K26.3Very low28.8Very low190 Ų190162.9 Ų162.983%0.82682%0.819SS**  trans-62.8120.6173.4-75.3179.3180170.40110.3S337S337-K339 PolarHBondContact O-N 3.14Å; S337-K339 VanDerWaalsContact O-N 3.08Å
340P25.6Very low30.8Very low117 Ų117154.3 Ų154.376%0.7678%0.783SS**  trans-73.5139.1176.130.1-33.7000110.5S338 K342S338-P340 WeakPolarHBondContact O-CD 3.45Å; P340-K342 PolarHBondContact O-N 3.44Å; P340-K342 VanDerWaalsContact O-N 3.09Å
341K25.9Very low33Very low209 Ų209149.9 Ų149.991%0.90975%0.751SS**  trans-55.9114.7176.3-68.2-176.5176.3-1760110.3K343K341-K343 PolarHBondContact O-N 3.49Å; K341-K343 VanDerWaalsContact O-N 3.16Å
342K27.4Very low35.6Very low210 Ų210141.8 Ų141.891%0.91371%0.713SS**  trans-61.7114.5173.7-76.4-179.6178.3173.80109.1P340P340-K342 PolarHBondContact O-N 3.44Å; P340-K342 VanDerWaalsContact O-N 3.09Å
343K24.3Very low38Very low194 Ų194140.6 Ų140.684%0.84370%0.695SS**  trans-70.6144166.3-69.6-178.9177.6178.40108.9K341 R345K341-K343 PolarHBondContact O-N 3.49Å; K341-K343 VanDerWaalsContact O-N 3.16Å; K343-R345 PolarHBondContact O-N 2.94Å
344P26.3Very low40.6Very low121 Ų121135.1 Ų135.179%0.78667%0.673SS**  trans-57.3140.6173.524.4-33.2000109.9R346P344-R346 PolarHBondContact O-N 3.2Å
345R34.5Very low43.1Very low183 Ų183132.4 Ų132.469%0.69164%0.642SS**  trans-54.3114.2-180-90.7-178.8165170.3-3.7109.1K343 K347K343-R345 PolarHBondContact O-N 2.94Å; R345-K347 PolarHBondContact O-N 3.09Å
346R27.8Very low45.6Very low229 Ų229123.5 Ų123.586%0.86460%0.6SS**  trans-58.2134.6158.7-73.9179.7168.1172.2-4.7106.7P344 E348P344-R346 PolarHBondContact O-N 3.2Å; R346-E348 PolarHBondContact O-N 3.28Å
347K38.8Very low48.3Very low206 Ų206117 Ų11790%0.89658%0.575SS**  trans-50.3108.6174.3-68-178.6177.4-178.90108.3R345 Q349R345-K347 PolarHBondContact O-N 3.09Å; K347-Q349 PolarHBondContact O-N 2.97Å
348E45.4Very low50.9Low155 Ų155118.9 Ų118.972%0.72457%0.57SS**PPolyproline II helixtrans-69121.9176.6-69.3-172.816800106.6R346R346-E348 PolarHBondContact O-N 3.28Å
349Q54.2Low53.8Low126 Ų126114.3 Ų114.359%0.58954%0.536SS*.PPolyproline II helixtrans-63.6143.1178.1-71.3177.1-37.200109.3K347K347-Q349 PolarHBondContact O-N 2.97Å
350S66.9Low56.3Low11 Ų11106.6 Ų106.68%0.07751%0.507CS..PPolyproline II helixtrans-61.1159.2179.890.70000111.4L352 Q353 A354 E451S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 PolarHBondContact O-N 3.46Å; S350-Q353 PolarHBondContact O-N 2.98Å; S350-Q353 VanDerWaalsContact OG-CB 3.25Å; S350-Q353 WeakPolarHBondContact OG-CB 3.49Å; S350-Q353 PolarHBondContact OG-N 3.42Å; S350-A354 WeakPolarHBondContact O-CB 3.49Å; S350-A354 PolarHBondContact O-N 3.23Å; S350-E451 WeakPolarHBondContact CB-OE2 3.48Å; S350-E451 PolarHBondContact OG-OE2 2.99Å
351V71.7Confident59Low30 Ų30105 Ų10518%0.18249%0.491CS..Hα-helixtrans-64.3-42.8-175.3-176.70000110.6K355 E451 R920V351-K355 WeakPolarHBondContact O-CG 3.34Å; V351-K355 PolarHBondContact O-N 3.41Å; V351-K355 VanDerWaalsContact O-N 3.1Å; V351-E451 PolarHBondContact N-OE1 3.04Å; V351-R920 HydrophobicContact CG1-CB 4.36Å; V351-R920 HydrophobicContact CG1-CG 4.36Å; V351-R920 HydrophobicContact CG2-CG 4.49Å; V351-R920 VanDerWaalsContact CG2-NE 3.3Å
352L75.6Confident61.8Low1 Ų1100.2 Ų100.21%0.00547%0.472CS..Hα-helixtrans-68.9-42.2176.9-173.855.3000111.4S350 A354 K355 L356 E451 Y850 I853 L924S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 PolarHBondContact O-N 3.46Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3.18Å; L352-K355 PolarHBondContact O-N 2.72Å; L352-K355 VanDerWaalsContact O-N 3.16Å; L352-L356 HydrophobicContact CD1-CD1 4.12Å; L352-L356 HydrophobicContact CD1-CG 4.25Å; L352-L356 HydrophobicContact CG-CD1 3.87Å; L352-L356 HydrophobicContact CG-CG 4.44Å; L352-L356 WeakPolarHBondContact O-CB 3.32Å; L352-L356 WeakPolarHBondContact O-CG 3.44Å; L352-L356 PolarHBondContact O-N 2.98Å; L352-E451 HydrophobicContact CB-CG 4.14Å; L352-E451 WeakPolarHBondContact CB-OE1 3.47Å; L352-E451 VanDerWaalsContact CB-OE2 3.31Å; L352-E451 WeakPolarHBondContact CB-OE2 3.43Å; L352-E451 HydrophobicContact CD2-CG 4.37Å; L352-E451 PolarHBondContact N-OE1 3.35Å; L352-Y850 HydrophobicContact CD1-CD2 4.12Å; L352-Y850 HydrophobicContact CD1-CE2 4.01Å; L352-Y850 HydrophobicContact CD2-CD2 4.15Å; L352-I853 HydrophobicContact CD2-CB 4.3Å; L352-I853 HydrophobicContact CD2-CD1 3.43Å; L352-I853 VanDerWaalsContact CD2-CD1 3.43Å; L352-I853 HydrophobicContact CD2-CG1 4.46Å; L352-I853 HydrophobicContact CD2-CG2 4.12Å; L352-L924 HydrophobicContact CD1-CD1 3.5Å; L352-L924 VanDerWaalsContact CD1-CD1 3.5Å; L352-L924 HydrophobicContact CD1-CD2 4.13Å; L352-L924 HydrophobicContact CD1-CG 4.49Å
353Q75Confident64.6Low83 Ų8391.3 Ų91.339%0.38844%0.435SS..Hα-helixtrans-58.3-46.5175.6-170.5179.215.600110.9S350 K355 L356 T357S350-Q353 PolarHBondContact O-N 2.98Å; S350-Q353 VanDerWaalsContact OG-CB 3.25Å; S350-Q353 WeakPolarHBondContact OG-CB 3.49Å; S350-Q353 PolarHBondContact OG-N 3.42Å; Q353-K355 VanDerWaalsContact C-N 3.35Å; Q353-K355 PolarHBondContact O-N 3.5Å; Q353-L356 PolarHBondContact O-N 2.93Å; Q353-T357 PolarHBondContact O-N 3.36Å; Q353-T357 PolarHBondContact O-OG1 3.47Å; Q353-T357 VanDerWaalsContact O-OG1 3.09Å
354A76.2Confident67.4Low49 Ų4982.8 Ų82.841%0.40540%0.401SS..Hα-helixtrans-62.6-37.4176.500000113.1S350 L352 K358S350-A354 WeakPolarHBondContact O-CB 3.49Å; S350-A354 PolarHBondContact O-N 3.23Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3.18Å; A354-K358 PolarHBondContact O-N 3.37Å
355K82.1Confident70.3Confident47 Ų4782.4 Ų82.420%0.20439%0.385CS..Hα-helixtrans-65.9-43.1173.3-75.2178.5-176-176.30111.9V351 L352 Q353 K358 L359 R920 Q922V351-K355 WeakPolarHBondContact O-CG 3.34Å; V351-K355 PolarHBondContact O-N 3.41Å; V351-K355 VanDerWaalsContact O-N 3.1Å; L352-K355 PolarHBondContact O-N 2.72Å; L352-K355 VanDerWaalsContact O-N 3.16Å; Q353-K355 VanDerWaalsContact C-N 3.35Å; Q353-K355 PolarHBondContact O-N 3.5Å; K355-K358 PolarHBondContact O-N 2.84Å; K355-L359 PolarHBondContact O-N 3.45Å; K355-R920 WeakPolarHBondContact CE-O 3.47Å; K355-R920 PolarHBondContact NZ-O 2.69Å; K355-Q922 PolarHBondContact NZ-O 2.93Å
356L79.7Confident72.8Confident8 Ų877.9 Ų77.94%0.04238%0.378CS..Hα-helixtrans-70.1-43.9-178.3-76.2169.3000112.4L352 Q353 K358 L359 A360 L422 V426 I853 L857 L924L352-L356 HydrophobicContact CD1-CD1 4.12Å; L352-L356 HydrophobicContact CD1-CG 4.25Å; L352-L356 HydrophobicContact CG-CD1 3.87Å; L352-L356 HydrophobicContact CG-CG 4.44Å; L352-L356 WeakPolarHBondContact O-CB 3.32Å; L352-L356 WeakPolarHBondContact O-CG 3.44Å; L352-L356 PolarHBondContact O-N 2.98Å; Q353-L356 PolarHBondContact O-N 2.93Å; L356-K358 PolarHBondContact O-N 3.16Å; L356-L359 PolarHBondContact O-N 3.24Å; L356-L359 VanDerWaalsContact O-N 3.08Å; L356-A360 WeakPolarHBondContact O-CB 3.45Å; L356-A360 PolarHBondContact O-N 3.08Å; L356-L422 HydrophobicContact CD2-CD1 4.43Å; L356-L422 HydrophobicContact CD2-CD2 4.1Å; L356-V426 HydrophobicContact CD1-CG2 3.15Å; L356-I853 HydrophobicContact CD1-CG2 3.92Å; L356-L857 HydrophobicContact CD2-CD2 4.41Å; L356-L924 HydrophobicContact CD2-CD2 3.46Å; L356-L924 VanDerWaalsContact CD2-CD2 3.46Å; L356-L924 HydrophobicContact CG-CD2 3.95Å
357T79.1Confident75.7Confident65 Ų6567 Ų6740%0.39934%0.337SS..Hα-helixtrans-57.2-41.6172.6-580000110.9Q353 I361Q353-T357 PolarHBondContact O-N 3.36Å; Q353-T357 PolarHBondContact O-OG1 3.47Å; Q353-T357 VanDerWaalsContact O-OG1 3.09Å; T357-I361 HydrophobicContact CG2-CD1 3.99Å; T357-I361 WeakPolarHBondContact O-CD1 3.26Å; T357-I361 WeakPolarHBondContact O-CG1 3.38Å; T357-I361 PolarHBondContact O-N 2.93Å; T357-I361 VanDerWaalsContact O-N 3.09Å
358K82.8Confident78Confident141 Ų14159.9 Ų59.961%0.61331%0.311SS*.Hα-helixtrans-63.6-42175-174.9179.2177.9-177.60112.4A354 K355 L356 Q362A354-K358 PolarHBondContact O-N 3.37Å; K355-K358 PolarHBondContact O-N 2.84Å; L356-K358 PolarHBondContact O-N 3.16Å; K358-Q362 WeakPolarHBondContact O-CG 3.12Å; K358-Q362 PolarHBondContact O-N 3.02Å; K358-Q362 VanDerWaalsContact O-N 3.15Å
359L83.5Confident80.2Confident26 Ų2656.7 Ų56.714%0.13630%0.304CS..Hα-helixtrans-66.6-47.4179.3-178.661.9000111.7K355 L356 I361 Q362 I363 L857 L924 I925K355-L359 PolarHBondContact O-N 3.45Å; L356-L359 PolarHBondContact O-N 3.24Å; L356-L359 VanDerWaalsContact O-N 3.08Å; L359-I361 VanDerWaalsContact C-N 3.31Å; L359-I361 PolarHBondContact O-N 2.79Å; L359-Q362 WeakPolarHBondContact O-CA 3.32Å; L359-Q362 WeakPolarHBondContact O-CB 3.3Å; L359-Q362 PolarHBondContact O-N 2.87Å; L359-I363 HydrophobicContact CD1-CD1 4.15Å; L359-I363 HydrophobicContact CD1-CG1 4.38Å; L359-I363 HydrophobicContact CG-CD1 3.81Å; L359-I363 HydrophobicContact CG-CG1 4.48Å; L359-I363 WeakPolarHBondContact O-CG1 3.36Å; L359-I363 PolarHBondContact O-N 3.02Å; L359-L857 HydrophobicContact CD2-CD1 3.79Å; L359-L857 HydrophobicContact CD2-CD2 3.62Å; L359-L857 HydrophobicContact CD2-CG 4.29Å; L359-L924 HydrophobicContact CD2-CD2 4.31Å; L359-I925 HydrophobicContact CD1-CD1 4.24Å; L359-I925 HydrophobicContact CD2-CD1 4.4Å
360A80.4Confident81.9Confident28 Ų2852.2 Ų52.223%0.23129%0.285CS..Hα-helixtrans-57.6-41.8176.600000111.9L356 Q362 I363 G364 P419L356-A360 WeakPolarHBondContact O-CB 3.45Å; L356-A360 PolarHBondContact O-N 3.08Å; A360-Q362 VanDerWaalsContact C-N 3.35Å; A360-Q362 PolarHBondContact O-N 2.98Å; A360-I363 PolarHBondContact O-N 3.36Å; A360-G364 PolarHBondContact O-N 3.35Å; A360-P419 HydrophobicContact CB-CG 4.41Å
361I81.3Confident82.9Confident82 Ų8252 Ų5242%0.42128%0.284SS..Hα-helixtrans-61.3-41.4173.4-70.2165.4000111.6T357 L359 Y365T357-I361 HydrophobicContact CG2-CD1 3.99Å; T357-I361 WeakPolarHBondContact O-CD1 3.26Å; T357-I361 WeakPolarHBondContact O-CG1 3.38Å; T357-I361 PolarHBondContact O-N 2.93Å; T357-I361 VanDerWaalsContact O-N 3.09Å; L359-I361 VanDerWaalsContact C-N 3.31Å; L359-I361 PolarHBondContact O-N 2.79Å; I361-Y365 HydrophobicContact CG2-CD2 3.89Å; I361-Y365 HydrophobicContact CG2-CE2 3.56Å; I361-Y365 WeakPolarHBondContact O-CD2 3.48Å; I361-Y365 PolarHBondContact O-N 3.45Å; I361-Y365 VanDerWaalsContact O-N 3.11Å
362Q85.8Confident83.8Confident109 Ų10955.2 Ų55.251%0.50930%0.3SS..Hα-helixtrans-66.4-41.5177.9-70.7-177.1-78.100112.2K358 L359 A360 Y365 V366K358-Q362 WeakPolarHBondContact O-CG 3.12Å; K358-Q362 PolarHBondContact O-N 3.02Å; K358-Q362 VanDerWaalsContact O-N 3.15Å; L359-Q362 WeakPolarHBondContact O-CA 3.32Å; L359-Q362 WeakPolarHBondContact O-CB 3.3Å; L359-Q362 PolarHBondContact O-N 2.87Å; A360-Q362 VanDerWaalsContact C-N 3.35Å; A360-Q362 PolarHBondContact O-N 2.98Å; Q362-Y365 PolarHBondContact O-N 2.85Å; Q362-V366 PolarHBondContact O-N 2.82Å
363I84.9Confident84.5Confident24 Ų2456.8 Ų56.812%0.12331%0.312CS..Hα-helixtrans-65.5-46.3176.8-62.6161000110.1L359 A360 Y365 V366 G367 A417 P419 L861L359-I363 HydrophobicContact CD1-CD1 4.15Å; L359-I363 HydrophobicContact CD1-CG1 4.38Å; L359-I363 HydrophobicContact CG-CD1 3.81Å; L359-I363 HydrophobicContact CG-CG1 4.48Å; L359-I363 WeakPolarHBondContact O-CG1 3.36Å; L359-I363 PolarHBondContact O-N 3.02Å; A360-I363 PolarHBondContact O-N 3.36Å; I363-Y365 VanDerWaalsContact C-N 3.3Å; I363-Y365 PolarHBondContact O-N 3.04Å; I363-V366 PolarHBondContact O-N 2.89Å; I363-G367 PolarHBondContact O-N 2.91Å; I363-A417 WeakPolarHBondContact CG2-O 3.46Å; I363-P419 HydrophobicContact CD1-CG 4.11Å; I363-P419 HydrophobicContact CG2-CG 4.47Å; I363-L861 HydrophobicContact CD1-CD2 3.52Å; I363-L861 HydrophobicContact CG1-CD2 4.33Å
364G83.1Confident85.2Confident14 Ų1452.8 Ų52.814%0.14429%0.294CS..Hα-helixtrans-56-41.4176.500000112.8A360 V366 G367 T368A360-G364 PolarHBondContact O-N 3.35Å; G364-V366 PolarHBondContact O-N 3.35Å; G364-G367 PolarHBondContact O-N 2.8Å; G364-T368 WeakPolarHBondContact O-CB 3.41Å; G364-T368 PolarHBondContact O-N 3.05Å; G364-T368 PolarHBondContact O-OG1 3.23Å
365Y87Confident85.8Confident114 Ų11451.8 Ų51.845%0.44728%0.282SS..Hα-helixtrans-62.3-40.1173.7-80.4-57.1000113.7I361 Q362 I363 C369 I1127I361-Y365 HydrophobicContact CG2-CD2 3.89Å; I361-Y365 HydrophobicContact CG2-CE2 3.56Å; I361-Y365 WeakPolarHBondContact O-CD2 3.48Å; I361-Y365 PolarHBondContact O-N 3.45Å; I361-Y365 VanDerWaalsContact O-N 3.11Å; Q362-Y365 PolarHBondContact O-N 2.85Å; I363-Y365 VanDerWaalsContact C-N 3.3Å; I363-Y365 PolarHBondContact O-N 3.04Å; Y365-C369 WeakPolarHBondContact O-CB 3.5Å; Y365-C369 PolarHBondContact O-N 2.85Å; Y365-C369 VanDerWaalsContact O-N 3.13Å; Y365-I1127 WeakPolarHBondContact OH-CD1 3.5Å
366V88.6Confident86.3Confident88 Ų8854 Ų5453%0.53330%0.296SS..Hα-helixtrans-67.7-46.5176.7174.90000110Q362 I363 G364 C369 V370Q362-V366 PolarHBondContact O-N 2.82Å; I363-V366 PolarHBondContact O-N 2.89Å; G364-V366 PolarHBondContact O-N 3.35Å; V366-C369 WeakPolarHBondContact O-CB 3.41Å; V366-C369 PolarHBondContact O-N 3.25Å; V366-V370 WeakPolarHBondContact O-CG2 3.43Å; V366-V370 PolarHBondContact O-N 2.9Å
367G87.1Confident86.7Confident0 Ų056.3 Ų56.30%031%0.308CS..Hα-helixtrans-55.2-51.617600000113I363 G364 C369 V370 A371 A417I363-G367 PolarHBondContact O-N 2.91Å; G364-G367 PolarHBondContact O-N 2.8Å; G367-C369 VanDerWaalsContact C-N 3.3Å; G367-C369 PolarHBondContact O-N 3.11Å; G367-V370 PolarHBondContact O-N 3.35Å; G367-A371 VanDerWaalsContact O-CB 3.29Å; G367-A371 WeakPolarHBondContact O-CB 3.37Å; G367-A371 PolarHBondContact O-N 2.69Å; G367-A417 VanDerWaalsContact CA-CB 3.44Å
368T87.7Confident87.2Confident57 Ų5753.4 Ų53.435%0.3529%0.29SS..Hα-helixtrans-59.6-40.1176.1-51.90000112G364 I372 L414G364-T368 WeakPolarHBondContact O-CB 3.41Å; G364-T368 PolarHBondContact O-N 3.05Å; G364-T368 PolarHBondContact O-OG1 3.23Å; T368-I372 HydrophobicContact CG2-CD1 3.82Å; T368-I372 HydrophobicContact CG2-CG1 4.5Å; T368-I372 WeakPolarHBondContact O-CB 3.45Å; T368-I372 VanDerWaalsContact O-CG1 3.28Å; T368-I372 WeakPolarHBondContact O-CG1 3.35Å; T368-I372 PolarHBondContact O-N 3.15Å; T368-L414 WeakPolarHBondContact OG1-CD1 3.46Å
369C91.6Very high87.5Confident88 Ų8848.9 Ų48.960%0.59527%0.272SS*.Hα-helixtrans-65-43.6179-166.60000112.1Y365 V366 G367 A373Y365-C369 WeakPolarHBondContact O-CB 3.5Å; Y365-C369 PolarHBondContact O-N 2.85Å; Y365-C369 VanDerWaalsContact O-N 3.13Å; V366-C369 WeakPolarHBondContact O-CB 3.41Å; V366-C369 PolarHBondContact O-N 3.25Å; G367-C369 VanDerWaalsContact C-N 3.3Å; G367-C369 PolarHBondContact O-N 3.11Å; C369-A373 WeakPolarHBondContact O-CB 3.14Å; C369-A373 PolarHBondContact O-N 3.09Å; C369-A373 VanDerWaalsContact O-N 3.12Å
370V89.7Confident87.8Confident31 Ų3152.5 Ų52.519%0.18829%0.29CS..Hα-helixtrans-70.1-45.2178-179.50000110.7V366 G367 I372 A373 T374 I868 F872V366-V370 WeakPolarHBondContact O-CG2 3.43Å; V366-V370 PolarHBondContact O-N 2.9Å; G367-V370 PolarHBondContact O-N 3.35Å; V370-I372 VanDerWaalsContact C-N 3.32Å; V370-I372 PolarHBondContact O-N 3.47Å; V370-A373 WeakPolarHBondContact O-CB 3.42Å; V370-A373 PolarHBondContact O-N 3.22Å; V370-T374 PolarHBondContact O-N 3.25Å; V370-T374 PolarHBondContact O-OG1 3.35Å; V370-T374 VanDerWaalsContact O-OG1 3.04Å; V370-I868 HydrophobicContact CB-CG2 3.98Å; V370-I868 HydrophobicContact CG1-CG2 3.7Å; V370-I868 HydrophobicContact CG2-CG2 3.99Å; V370-F872 HydrophobicContact CG1-CB 3.94Å; V370-F872 HydrophobicContact CG1-CD2 3.88Å; V370-F872 HydrophobicContact CG1-CG 4.19Å
371A88.2Confident88Confident6 Ų654.2 Ų54.25%0.0529%0.292CS..Hα-helixtrans-54.8-45.317700000112.7G367 V375 G410 V413 L414G367-A371 VanDerWaalsContact O-CB 3.29Å; G367-A371 WeakPolarHBondContact O-CB 3.37Å; G367-A371 PolarHBondContact O-N 2.69Å; A371-V375 WeakPolarHBondContact O-CG2 3.2Å; A371-V375 PolarHBondContact O-N 2.94Å; A371-V375 VanDerWaalsContact O-N 3.11Å; A371-G410 WeakPolarHBondContact CB-O 3.29Å; A371-V413 HydrophobicContact CB-CB 4.43Å; A371-V413 HydrophobicContact CB-CG1 4.24Å; A371-L414 HydrophobicContact CB-CB 3.99Å
372I91Very high88.2Confident99 Ų9951 Ų5151%0.50828%0.275SS..Hα-helixtrans-64.5-43175.4-68.4168.1000111.1T368 V370 V375 L376T368-I372 HydrophobicContact CG2-CD1 3.82Å; T368-I372 HydrophobicContact CG2-CG1 4.5Å; T368-I372 WeakPolarHBondContact O-CB 3.45Å; T368-I372 VanDerWaalsContact O-CG1 3.28Å; T368-I372 WeakPolarHBondContact O-CG1 3.35Å; T368-I372 PolarHBondContact O-N 3.15Å; V370-I372 VanDerWaalsContact C-N 3.32Å; V370-I372 PolarHBondContact O-N 3.47Å; I372-V375 PolarHBondContact O-N 3.44Å; I372-L376 HydrophobicContact CG2-CD1 3.85Å; I372-L376 HydrophobicContact CG2-CG 4.38Å; I372-L376 WeakPolarHBondContact O-CB 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.39Å; I372-L376 PolarHBondContact O-N 3.08Å
373A90.8Very high88.3Confident33 Ų3347.9 Ų47.927%0.27327%0.266SS..Hα-helixtrans-62.2-45.5177.900000111.9C369 V370 V375 L376 I377 F872C369-A373 WeakPolarHBondContact O-CB 3.14Å; C369-A373 PolarHBondContact O-N 3.09Å; C369-A373 VanDerWaalsContact O-N 3.12Å; V370-A373 WeakPolarHBondContact O-CB 3.42Å; V370-A373 PolarHBondContact O-N 3.22Å; A373-V375 PolarHBondContact O-N 2.92Å; A373-L376 PolarHBondContact O-N 3.05Å; A373-I377 WeakPolarHBondContact O-CB 3.37Å; A373-I377 WeakPolarHBondContact O-CD1 3.35Å; A373-I377 VanDerWaalsContact O-CG1 3.24Å; A373-I377 WeakPolarHBondContact O-CG1 3.36Å; A373-I377 PolarHBondContact O-N 3.49Å; A373-F872 HydrophobicContact CB-CE2 4.21Å
374T88.3Confident88.4Confident0 Ų050.2 Ų50.20%028%0.281CS..Hα-helixtrans-55.5-49.3175.2-60.30000111.6V370 I377 L378 A875V370-T374 PolarHBondContact O-N 3.25Å; V370-T374 PolarHBondContact O-OG1 3.35Å; V370-T374 VanDerWaalsContact O-OG1 3.04Å; T374-I377 PolarHBondContact O-N 3.34Å; T374-L378 HydrophobicContact CG2-CD1 4.1Å; T374-L378 WeakPolarHBondContact O-CG 3.3Å; T374-L378 PolarHBondContact O-N 3.42Å; T374-A875 HydrophobicContact CG2-CB 3.6Å
375V89.3Confident88.5Confident27 Ų2754 Ų5416%0.16430%0.295CS..Hα-helixtrans-62.4-44.8178.7173.50000111.6A371 I372 A373 L378 I379 I407 G410A371-V375 WeakPolarHBondContact O-CG2 3.2Å; A371-V375 PolarHBondContact O-N 2.94Å; A371-V375 VanDerWaalsContact O-N 3.11Å; I372-V375 PolarHBondContact O-N 3.44Å; A373-V375 PolarHBondContact O-N 2.92Å; V375-L378 PolarHBondContact O-N 3.47Å; V375-I379 HydrophobicContact CG1-CD1 3.62Å; V375-I379 HydrophobicContact CG1-CG1 4.38Å; V375-I379 WeakPolarHBondContact O-CB 3.43Å; V375-I379 VanDerWaalsContact O-CG1 3.3Å; V375-I379 WeakPolarHBondContact O-CG1 3.47Å; V375-I379 PolarHBondContact O-N 2.94Å; V375-I407 HydrophobicContact CG1-CG1 4.43Å; V375-G410 VanDerWaalsContact CG2-CA 3.46Å
376L91.5Very high88.4Confident95 Ų9549 Ų4950%0.49728%0.277SS..Hα-helixtrans-64.1-42.5178.9-72.1172.6000111.8I372 A373 I379 I380I372-L376 HydrophobicContact CG2-CD1 3.85Å; I372-L376 HydrophobicContact CG2-CG 4.38Å; I372-L376 WeakPolarHBondContact O-CB 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.39Å; I372-L376 PolarHBondContact O-N 3.08Å; A373-L376 PolarHBondContact O-N 3.05Å; L376-I379 PolarHBondContact O-N 3.42Å; L376-I380 VanDerWaalsContact O-CB 3.28Å; L376-I380 WeakPolarHBondContact O-CB 3.37Å; L376-I380 WeakPolarHBondContact O-CD1 3.37Å; L376-I380 WeakPolarHBondContact O-CG1 3.42Å; L376-I380 PolarHBondContact O-N 3.29Å
377I90Very high88.3Confident55 Ų5548 Ų4828%0.28227%0.265SS..Hα-helixtrans-61.8-48.9178.2-70.6165.3000110.5A373 T374 I380 K381 F872A373-I377 WeakPolarHBondContact O-CB 3.37Å; A373-I377 WeakPolarHBondContact O-CD1 3.35Å; A373-I377 VanDerWaalsContact O-CG1 3.24Å; A373-I377 WeakPolarHBondContact O-CG1 3.36Å; A373-I377 PolarHBondContact O-N 3.49Å; T374-I377 PolarHBondContact O-N 3.34Å; I377-I380 PolarHBondContact O-N 2.74Å; I377-K381 VanDerWaalsContact O-CB 3.24Å; I377-K381 WeakPolarHBondContact O-CB 3.47Å; I377-K381 PolarHBondContact O-N 2.91Å; I377-F872 HydrophobicContact CD1-CE2 3.65Å; I377-F872 HydrophobicContact CD1-CZ 3.99Å
378L87.6Confident88.2Confident4 Ų451.1 Ų51.12%0.02129%0.29CS..Hα-helixtrans-59.9-48.9177.9-71.1167.7000111.9T374 V375 I380 K381 F382 Y406 T409 A875T374-L378 HydrophobicContact CG2-CD1 4.1Å; T374-L378 WeakPolarHBondContact O-CG 3.3Å; T374-L378 PolarHBondContact O-N 3.42Å; V375-L378 PolarHBondContact O-N 3.47Å; L378-I380 PolarHBondContact O-N 2.91Å; L378-K381 PolarHBondContact O-N 2.63Å; L378-F382 WeakPolarHBondContact O-CB 3.41Å; L378-F382 PolarHBondContact O-N 3.17Å; L378-Y406 HydrophobicContact CB-CD1 3.83Å; L378-Y406 HydrophobicContact CB-CD2 4.11Å; L378-Y406 HydrophobicContact CB-CE1 4.24Å; L378-Y406 HydrophobicContact CB-CG 3.75Å; L378-Y406 HydrophobicContact CD1-CD1 3.84Å; L378-Y406 HydrophobicContact CD1-CG 4.26Å; L378-Y406 HydrophobicContact CD2-CD1 4.27Å; L378-Y406 HydrophobicContact CD2-CE1 4.23Å; L378-Y406 HydrophobicContact CG-CD1 4.19Å; L378-T409 HydrophobicContact CD1-CG2 4.43Å; L378-A875 HydrophobicContact CD1-CB 3.99Å; L378-A875 HydrophobicContact CD2-CB 3.84Å; L378-A875 HydrophobicContact CG-CB 3.83Å
379I89.3Confident88Confident46 Ų4654.3 Ų54.324%0.23630%0.301CS..Hα-helixtrans-63.5-40.3179.7-69.1173.6000111.6V375 L376 S383 I403 Y406V375-I379 HydrophobicContact CG1-CD1 3.62Å; V375-I379 HydrophobicContact CG1-CG1 4.38Å; V375-I379 WeakPolarHBondContact O-CB 3.43Å; V375-I379 VanDerWaalsContact O-CG1 3.3Å; V375-I379 WeakPolarHBondContact O-CG1 3.47Å; V375-I379 PolarHBondContact O-N 2.94Å; L376-I379 PolarHBondContact O-N 3.42Å; I379-S383 VanDerWaalsContact O-CB 3.26Å; I379-S383 WeakPolarHBondContact O-CB 3.39Å; I379-S383 PolarHBondContact O-N 2.67Å; I379-S383 PolarHBondContact O-OG 3.47Å; I379-I403 HydrophobicContact CD1-CG2 4.29Å; I379-Y406 HydrophobicContact CG1-CD2 4.12Å
380I90Very high87.6Confident103 Ų10354.3 Ų54.353%0.52830%0.295SS..Hα-helixtrans-68.5-48.4178.8-70165.5000110.3L376 I377 L378 F382 S383 V384L376-I380 VanDerWaalsContact O-CB 3.28Å; L376-I380 WeakPolarHBondContact O-CB 3.37Å; L376-I380 WeakPolarHBondContact O-CD1 3.37Å; L376-I380 WeakPolarHBondContact O-CG1 3.42Å; L376-I380 PolarHBondContact O-N 3.29Å; I377-I380 PolarHBondContact O-N 2.74Å; L378-I380 PolarHBondContact O-N 2.91Å; I380-F382 PolarHBondContact O-N 3.35Å; I380-S383 PolarHBondContact O-N 2.93Å; I380-V384 HydrophobicContact CG2-CG2 4.48Å; I380-V384 WeakPolarHBondContact O-CG2 3.27Å; I380-V384 PolarHBondContact O-N 3.04Å
381K86.2Confident87.2Confident63 Ų6360.8 Ų60.827%0.27432%0.321SS..Hα-helixtrans-59.6-48.4-179.9-166.8-175.9-175.1-156.20110.8I377 L378 V384 H385 F877 L878 D879I377-K381 VanDerWaalsContact O-CB 3.24Å; I377-K381 WeakPolarHBondContact O-CB 3.47Å; I377-K381 PolarHBondContact O-N 2.91Å; L378-K381 PolarHBondContact O-N 2.63Å; K381-V384 PolarHBondContact O-N 3.22Å; K381-H385 WeakPolarHBondContact O-CB 3.34Å; K381-H385 PolarHBondContact O-N 2.9Å; K381-F877 PolarHBondContact NZ-O 3.39Å; K381-L878 PolarHBondContact NZ-O 3.02Å; K381-D879 WeakPolarHBondContact CD-OD1 3.09Å; K381-D879 WeakPolarHBondContact CE-OD1 3.44Å; K381-D879 IonicContact NZ-OD1 3.79Å; K381-D879 PolarHBondContact NZ-OD1 3.04Å; K381-D879 IonicContact NZ-OD2 2.86Å
382F84.8Confident86.7Confident14 Ų1463.8 Ų63.86%0.06133%0.334CS..Hα-helixtrans-57.3-48.5172.7176-106.8000112.6L378 I380 V384 H385 T386 F387 H399 Q402 I403 Y406L378-F382 WeakPolarHBondContact O-CB 3.41Å; L378-F382 PolarHBondContact O-N 3.17Å; I380-F382 PolarHBondContact O-N 3.35Å; F382-V384 VanDerWaalsContact C-N 3.32Å; F382-V384 PolarHBondContact O-N 3.02Å; F382-H385 PolarHBondContact O-N 3.31Å; F382-T386 WeakPolarHBondContact CE2-OG1 3.47Å; F382-T386 VanDerWaalsContact O-CB 3.31Å; F382-T386 WeakPolarHBondContact O-CB 3.12Å; F382-T386 PolarHBondContact O-N 3.2Å; F382-T386 PolarHBondContact O-OG1 3.46Å; F382-F387 HydrophobicContact CE1-CE2 4.28Å; F382-F387 HydrophobicContact CE1-CZ 4.46Å; F382-H399 HydrophobicContact CE1-CB 4.15Å; F382-H399 AromaticContact CE1-CE1 3.47Å; F382-H399 VanDerWaalsContact CE1-CE1 3.47Å; F382-H399 WeakPolarHBondContact CE1-CE1 3.28Å; F382-H399 AromaticContact CE2-CE1 3.37Å; F382-H399 WeakPolarHBondContact CE2-CE1 3.34Å; F382-H399 HydrophobicContact CZ-CB 3.99Å; F382-H399 AromaticContact CZ-CE1 2.6Å; F382-H399 WeakPolarHBondContact CZ-CE1 3.3Å; F382-H399 AromaticContact CZ-ND1 3.51Å; F382-Q402 HydrophobicContact CE2-CB 4.19Å; F382-Q402 HydrophobicContact CE2-CG 4.45Å; F382-Q402 VanDerWaalsContact CE2-OE1 3.26Å; F382-Q402 HydrophobicContact CZ-CB 4.02Å; F382-Q402 VanDerWaalsContact CZ-OE1 3.24Å; F382-I403 HydrophobicContact CE1-CG1 4.44Å; F382-Y406 HydrophobicContact CB-CE2 3.7Å; F382-Y406 HydrophobicContact CD1-CE2 4.17Å; F382-Y406 HydrophobicContact CD2-CE2 4.19Å; F382-Y406 WeakPolarHBondContact CD2-OH 3.29Å; F382-Y406 AromaticContact CG-CE2 3.77Å; F382-Y406 HydrophobicContact CG-CE2 3.77Å
383S87.5Confident86.2Confident44 Ų4463.8 Ų63.831%0.30834%0.34SS..Hα-helixtrans-62.5-38.6-179.2-60.30000112.5I379 I380 F387I379-S383 VanDerWaalsContact O-CB 3.26Å; I379-S383 WeakPolarHBondContact O-CB 3.39Å; I379-S383 PolarHBondContact O-N 2.67Å; I379-S383 PolarHBondContact O-OG 3.47Å; I380-S383 PolarHBondContact O-N 2.93Å; S383-F387 WeakPolarHBondContact O-CB 3.45Å; S383-F387 PolarHBondContact O-N 2.92Å; S383-F387 VanDerWaalsContact O-N 3.07Å
384V87.7Confident85.7Confident73 Ų7368.6 Ų68.644%0.44235%0.352SS..Iπ-helixtrans-69-48.8176.71720000110.9I380 K381 F382 A388 Q389I380-V384 HydrophobicContact CG2-CG2 4.48Å; I380-V384 WeakPolarHBondContact O-CG2 3.27Å; I380-V384 PolarHBondContact O-N 3.04Å; K381-V384 PolarHBondContact O-N 3.22Å; F382-V384 VanDerWaalsContact C-N 3.32Å; F382-V384 PolarHBondContact O-N 3.02Å; V384-A388 CarbonylContact O-C 3.56Å; V384-A388 WeakPolarHBondContact O-CA 3.36Å; V384-A388 VanDerWaalsContact O-CB 3.25Å; V384-A388 WeakPolarHBondContact O-CB 3.43Å; V384-A388 PolarHBondContact O-N 3.18Å; V384-A388 VanDerWaalsContact O-N 3.08Å; V384-Q389 PolarHBondContact O-N 3.05Å
385H84.8Confident85.3Confident93 Ų9372.1 Ų72.143%0.43137%0.368SS..Iπ-helixtrans-65.4-49-177.7-167-92.3000111.8K381 F382 Q389 N390K381-H385 WeakPolarHBondContact O-CB 3.34Å; K381-H385 PolarHBondContact O-N 2.9Å; F382-H385 PolarHBondContact O-N 3.31Å; H385-Q389 PolarHBondContact CD2-OE1 2.77Å; H385-Q389 WeakPolarHBondContact O-CB 3.2Å; H385-N390 WeakPolarHBondContact O-CB 3.31Å; H385-N390 PolarHBondContact O-N 3.33Å
386T84.3Confident84.5Confident11 Ų1175 Ų757%0.06739%0.386CS..Iπ-helixtrans-76.4-48.1-174.9-58.60000113.2F382 K391 E392 H399F382-T386 WeakPolarHBondContact CE2-OG1 3.47Å; F382-T386 VanDerWaalsContact O-CB 3.31Å; F382-T386 WeakPolarHBondContact O-CB 3.12Å; F382-T386 PolarHBondContact O-N 3.2Å; F382-T386 PolarHBondContact O-OG1 3.46Å; T386-K391 PolarHBondContact O-N 2.83Å; T386-K391 VanDerWaalsContact O-N 3.15Å; T386-E392 HydrophobicContact CG2-CB 4.01Å; T386-E392 HydrophobicContact CG2-CG 4.39Å; T386-E392 PolarHBondContact O-N 2.83Å; T386-E392 VanDerWaalsContact O-N 3.09Å; T386-H399 VanDerWaalsContact CG2-CE1 3.42Å; T386-H399 WeakPolarHBondContact CG2-CE1 3.33Å; T386-H399 WeakPolarHBondContact CG2-NE2 3.48Å
387F87.2Confident83.6Confident67 Ų6770.8 Ų70.829%0.29437%0.365SS..Iπ-helixtrans-94.6-30.6-173.1-53.8-59.6000114F382 S383 E392 W394 H399F382-F387 HydrophobicContact CE1-CE2 4.28Å; F382-F387 HydrophobicContact CE1-CZ 4.46Å; S383-F387 WeakPolarHBondContact O-CB 3.45Å; S383-F387 PolarHBondContact O-N 2.92Å; S383-F387 VanDerWaalsContact O-N 3.07Å; F387-E392 WeakPolarHBondContact CD1-O 3.36Å; F387-W394 HydrophobicContact CE1-CE3 4.01Å; F387-W394 HydrophobicContact CE2-CE3 4.25Å; F387-W394 HydrophobicContact CE2-CZ3 4.24Å; F387-W394 AromaticContact CZ-CE3 3.5Å; F387-W394 HydrophobicContact CZ-CE3 3.5Å; F387-W394 VanDerWaalsContact CZ-CE3 3.5Å; F387-W394 AromaticContact CZ-CZ3 3.77Å; F387-W394 HydrophobicContact CZ-CZ3 3.77Å; F387-H399 HydrophobicContact CZ-CB 4.34Å; F387-H399 AromaticContact CZ-CG 3.98Å; F387-H399 AromaticContact CZ-ND1 3.95Å
388A84.4Confident82.9Confident64 Ų6472 Ų7253%0.52937%0.369SS..Iπ-helixtrans-94.5-42.8-178.700000113.4V384V384-A388 CarbonylContact O-C 3.56Å; V384-A388 WeakPolarHBondContact O-CA 3.36Å; V384-A388 VanDerWaalsContact O-CB 3.25Å; V384-A388 WeakPolarHBondContact O-CB 3.43Å; V384-A388 PolarHBondContact O-N 3.18Å; V384-A388 VanDerWaalsContact O-N 3.08Å
389Q83.6Confident82.7Confident124 Ų12471.9 Ų71.958%0.57937%0.368SS*.Iπ-helixtrans-84.7-59.3179.1-65.1177.5-37.200111.7V384 H385 K391V384-Q389 PolarHBondContact O-N 3.05Å; H385-Q389 PolarHBondContact CD2-OE1 2.77Å; H385-Q389 WeakPolarHBondContact O-CB 3.2Å; Q389-K391 PolarHBondContact O-N 3.17Å
390N82.5Confident82.3Confident88 Ų8872.8 Ų72.847%0.47137%0.373SS..SBendtrans-77.9-18.5-176.8-66.8-1.6000113.9H385 E392H385-N390 WeakPolarHBondContact O-CB 3.31Å; H385-N390 PolarHBondContact O-N 3.33Å; N390-E392 VanDerWaalsContact C-N 3.26Å; N390-E392 HydrophobicContact CB-CG 4.25Å; N390-E392 PolarHBondContact O-N 3.17Å
391K81.3Confident81.6Confident167 Ų16769.2 Ų69.273%0.72635%0.353SS*.  trans55.135.2-179.7-58.8179.4179.9176.10114T386 Q389T386-K391 PolarHBondContact O-N 2.83Å; T386-K391 VanDerWaalsContact O-N 3.15Å; Q389-K391 PolarHBondContact O-N 3.17Å
392E79.6Confident81.3Confident69 Ų6968.2 Ų68.232%0.32235%0.35SS..  trans-67.3139.5176.5-69.2-173-177.200111.5T386 F387 N390 H399T386-E392 HydrophobicContact CG2-CB 4.01Å; T386-E392 HydrophobicContact CG2-CG 4.39Å; T386-E392 PolarHBondContact O-N 2.83Å; T386-E392 VanDerWaalsContact O-N 3.09Å; F387-E392 WeakPolarHBondContact CD1-O 3.36Å; N390-E392 VanDerWaalsContact C-N 3.26Å; N390-E392 HydrophobicContact CB-CG 4.25Å; N390-E392 PolarHBondContact O-N 3.17Å; E392-H399 IonicContact OE2-NE2 3.8Å; E392-H399 PolarHBondContact OE2-NE2 3.12Å
393P79.7Confident81.2Confident99 Ų9969.2 Ų69.264%0.64336%0.355SS*.  trans-72145.817330.5-34.4000111.2Q395P393-Q395 PolarHBondContact O-N 2.81Å; P393-Q395 VanDerWaalsContact O-N 3.08Å
394W80.5Confident80.9Confident134 Ų13467.9 Ų67.951%0.50835%0.346SS..  trans-62.5111.2-179.3176.8-87.9000112.8F387 T396 H399 I403F387-W394 HydrophobicContact CE1-CE3 4.01Å; F387-W394 HydrophobicContact CE2-CE3 4.25Å; F387-W394 HydrophobicContact CE2-CZ3 4.24Å; F387-W394 AromaticContact CZ-CE3 3.5Å; F387-W394 HydrophobicContact CZ-CE3 3.5Å; F387-W394 VanDerWaalsContact CZ-CE3 3.5Å; F387-W394 AromaticContact CZ-CZ3 3.77Å; F387-W394 HydrophobicContact CZ-CZ3 3.77Å; W394-T396 PolarHBondContact NE1-OG1 3.08Å; W394-H399 HydrophobicContact CE3-CB 4.27Å; W394-H399 HydrophobicContact CH2-CB 4.12Å; W394-H399 HydrophobicContact CZ3-CB 3.91Å; W394-I403 HydrophobicContact CH2-CD1 3.95Å; W394-I403 HydrophobicContact CZ3-CD1 4.3Å
395Q78.9Confident80.4Confident74 Ų7465.5 Ų65.535%0.34633%0.33SS..  trans-101.2105.5168.4-60.6-179.6-2.200111.9P393 G397 K398 H399P393-Q395 PolarHBondContact O-N 2.81Å; P393-Q395 VanDerWaalsContact O-N 3.08Å; Q395-G397 PolarHBondContact O-N 3.38Å; Q395-K398 HydrophobicContact CB-CB 4.47Å; Q395-K398 PolarHBondContact O-N 2.85Å; Q395-H399 PolarHBondContact N-CD2 2.88Å; Q395-H399 PolarHBondContact O-CD2 3.28Å; Q395-H399 PolarHBondContact O-N 3.39Å
396T74Confident80.4Confident88 Ų8862.2 Ų62.254%0.5431%0.314SS..THydrogen-bonded Turntrans-57-27.2-173.2-520000114.9W394 L400W394-T396 PolarHBondContact NE1-OG1 3.08Å; T396-L400 WeakPolarHBondContact O-CB 3.32Å
397G72.5Confident80.4Confident6 Ų665.3 Ų65.36%0.06233%0.33CS..THydrogen-bonded Turntrans-71.3-62174.700000112.8Q395 K401Q395-G397 PolarHBondContact O-N 3.38Å; G397-K401 PolarHBondContact O-N 3.46Å
398K75.6Confident80.1Confident81 Ų8162.3 Ų62.335%0.35232%0.317SS..Hα-helixtrans-62.7-56.9-172.7-172.8-177.7178.9-170.60112.8Q395 L400 K401 Q402Q395-K398 HydrophobicContact CB-CB 4.47Å; Q395-K398 PolarHBondContact O-N 2.85Å; K398-L400 PolarHBondContact O-N 2.94Å; K398-K401 PolarHBondContact O-N 3.3Å; K398-Q402 PolarHBondContact O-N 3.14Å
399H82.4Confident79.9Confident1 Ų160.2 Ų60.21%0.00530%0.297CS..Hα-helixtrans-71.7-30.6-173.4-50.6-77.3000112.6F382 T386 F387 E392 W394 Q395 Q402 I403F382-H399 HydrophobicContact CE1-CB 4.15Å; F382-H399 AromaticContact CE1-CE1 3.47Å; F382-H399 VanDerWaalsContact CE1-CE1 3.47Å; F382-H399 WeakPolarHBondContact CE1-CE1 3.28Å; F382-H399 AromaticContact CE2-CE1 3.37Å; F382-H399 WeakPolarHBondContact CE2-CE1 3.34Å; F382-H399 HydrophobicContact CZ-CB 3.99Å; F382-H399 AromaticContact CZ-CE1 2.6Å; F382-H399 WeakPolarHBondContact CZ-CE1 3.3Å; F382-H399 AromaticContact CZ-ND1 3.51Å; T386-H399 VanDerWaalsContact CG2-CE1 3.42Å; T386-H399 WeakPolarHBondContact CG2-CE1 3.33Å; T386-H399 WeakPolarHBondContact CG2-NE2 3.48Å; F387-H399 HydrophobicContact CZ-CB 4.34Å; F387-H399 AromaticContact CZ-CG 3.98Å; F387-H399 AromaticContact CZ-ND1 3.95Å; E392-H399 IonicContact OE2-NE2 3.8Å; E392-H399 PolarHBondContact OE2-NE2 3.12Å; W394-H399 HydrophobicContact CE3-CB 4.27Å; W394-H399 HydrophobicContact CH2-CB 4.12Å; W394-H399 HydrophobicContact CZ3-CB 3.91Å; Q395-H399 PolarHBondContact N-CD2 2.88Å; Q395-H399 PolarHBondContact O-CD2 3.28Å; Q395-H399 PolarHBondContact O-N 3.39Å; H399-Q402 PolarHBondContact CE1-OE1 2.99Å; H399-Q402 PolarHBondContact O-N 3.38Å; H399-I403 WeakPolarHBondContact O-CG1 3.44Å; H399-I403 PolarHBondContact O-N 3.21Å
400L80.2Confident80Confident65 Ų6554.5 Ų54.534%0.3427%0.272SS..Hα-helixtrans-68.1-38.7174.9-172.960.2000111.6L117 T396 K398 Q402 I403 V404L117-L400 HydrophobicContact CD1-CG 4.32Å; L117-L400 HydrophobicContact CD2-CD2 4.02Å; L117-L400 HydrophobicContact CD2-CG 4.38Å; T396-L400 WeakPolarHBondContact O-CB 3.32Å; K398-L400 PolarHBondContact O-N 2.94Å; L400-Q402 VanDerWaalsContact C-N 3.33Å; L400-Q402 PolarHBondContact O-N 2.98Å; L400-I403 PolarHBondContact O-N 3.45Å; L400-V404 WeakPolarHBondContact O-CB 3.34Å; L400-V404 WeakPolarHBondContact O-CG2 3.48Å; L400-V404 PolarHBondContact O-N 3.16Å
401K76Confident80.1Confident28 Ų2851.2 Ų51.212%0.12226%0.255CS..Hα-helixtrans-59.2-44.2172.7-173.6-172.3176.3-162.20111.1I121 G397 K398 V404 N405I121-K401 HydrophobicContact CD1-CB 4.22Å; I121-K401 HydrophobicContact CD1-CD 3.83Å; G397-K401 PolarHBondContact O-N 3.46Å; K398-K401 PolarHBondContact O-N 3.3Å; K401-V404 PolarHBondContact O-N 3.36Å; K401-N405 PolarHBondContact O-N 3.21Å; K401-N405 PolarHBondContact O-OD1 3.2Å
402Q78.9Confident80.1Confident42 Ų4243.5 Ų43.520%0.19622%0.221CC..Hα-helixtrans-62.9-44.7177.1-74.1169.1-54.600112.3F382 K398 H399 L400 V404 N405 Y406F382-Q402 HydrophobicContact CE2-CB 4.19Å; F382-Q402 HydrophobicContact CE2-CG 4.45Å; F382-Q402 VanDerWaalsContact CE2-OE1 3.26Å; F382-Q402 HydrophobicContact CZ-CB 4.02Å; F382-Q402 VanDerWaalsContact CZ-OE1 3.24Å; K398-Q402 PolarHBondContact O-N 3.14Å; H399-Q402 PolarHBondContact CE1-OE1 2.99Å; H399-Q402 PolarHBondContact O-N 3.38Å; L400-Q402 VanDerWaalsContact C-N 3.33Å; L400-Q402 PolarHBondContact O-N 2.98Å; Q402-V404 VanDerWaalsContact C-N 3.34Å; Q402-V404 PolarHBondContact O-N 3.37Å; Q402-N405 PolarHBondContact O-N 3.3Å; Q402-Y406 HydrophobicContact CB-CE2 4.42Å; Q402-Y406 VanDerWaalsContact O-CD2 3.32Å; Q402-Y406 WeakPolarHBondContact O-CD2 3.44Å; Q402-Y406 PolarHBondContact O-N 2.9Å
403I83.4Confident80.3Confident35 Ų3540.3 Ų40.318%0.17921%0.207CC..Hα-helixtrans-61.6-40.8175-67.2166.9000111.6I379 F382 W394 H399 L400 Y406 I407I379-I403 HydrophobicContact CD1-CG2 4.29Å; F382-I403 HydrophobicContact CE1-CG1 4.44Å; W394-I403 HydrophobicContact CH2-CD1 3.95Å; W394-I403 HydrophobicContact CZ3-CD1 4.3Å; H399-I403 WeakPolarHBondContact O-CG1 3.44Å; H399-I403 PolarHBondContact O-N 3.21Å; L400-I403 PolarHBondContact O-N 3.45Å; I403-Y406 PolarHBondContact O-N 2.97Å; I403-I407 HydrophobicContact CG2-CD1 4.15Å; I403-I407 WeakPolarHBondContact O-CG1 3.06Å; I403-I407 PolarHBondContact O-N 2.7Å
404V80.9Confident80.6Confident17 Ų1737.7 Ų37.710%0.10319%0.187CC..Hα-helixtrans-63.9-40.1175166.90000111.5I113 L117 L400 K401 Q402 Y406 I407 I408I113-V404 HydrophobicContact CG2-CG1 4.11Å; I113-V404 HydrophobicContact CG2-CG2 3.94Å; L117-V404 HydrophobicContact CD1-CB 4.14Å; L117-V404 HydrophobicContact CD1-CG1 4.4Å; L117-V404 HydrophobicContact CD1-CG2 3.72Å; L400-V404 WeakPolarHBondContact O-CB 3.34Å; L400-V404 WeakPolarHBondContact O-CG2 3.48Å; L400-V404 PolarHBondContact O-N 3.16Å; K401-V404 PolarHBondContact O-N 3.36Å; Q402-V404 VanDerWaalsContact C-N 3.34Å; Q402-V404 PolarHBondContact O-N 3.37Å; V404-Y406 PolarHBondContact O-N 3.37Å; V404-I407 PolarHBondContact O-N 2.81Å; V404-I408 HydrophobicContact CG1-CD1 3.93Å; V404-I408 HydrophobicContact CG1-CG1 4.49Å; V404-I408 WeakPolarHBondContact O-CG1 3.46Å; V404-I408 PolarHBondContact O-N 3.03Å
405N77.9Confident80.6Confident22 Ų2231.7 Ų31.712%0.11817%0.165CC..Hα-helixtrans-63.8-39.6175-80.118000111.8E140 K401 Q402 I407 I408 T409E140-N405 PolarHBondContact OE2-ND2 3.22Å; K401-N405 PolarHBondContact O-N 3.21Å; K401-N405 PolarHBondContact O-OD1 3.2Å; Q402-N405 PolarHBondContact O-N 3.3Å; N405-I407 VanDerWaalsContact C-N 3.35Å; N405-I407 PolarHBondContact O-N 3.42Å; N405-I408 PolarHBondContact O-N 3.48Å; N405-T409 PolarHBondContact O-N 3.09Å; N405-T409 PolarHBondContact O-OG1 2.94Å; N405-T409 VanDerWaalsContact O-OG1 3.11Å
406Y85Confident80.8Confident25 Ų2528.2 Ų28.210%0.09815%0.149CC..Hα-helixtrans-63.2-38.6172.5-56.9-36000112.7L378 I379 F382 Q402 I403 V404 T409 G410L378-Y406 HydrophobicContact CB-CD1 3.83Å; L378-Y406 HydrophobicContact CB-CD2 4.11Å; L378-Y406 HydrophobicContact CB-CE1 4.24Å; L378-Y406 HydrophobicContact CB-CG 3.75Å; L378-Y406 HydrophobicContact CD1-CD1 3.84Å; L378-Y406 HydrophobicContact CD1-CG 4.26Å; L378-Y406 HydrophobicContact CD2-CD1 4.27Å; L378-Y406 HydrophobicContact CD2-CE1 4.23Å; L378-Y406 HydrophobicContact CG-CD1 4.19Å; I379-Y406 HydrophobicContact CG1-CD2 4.12Å; F382-Y406 HydrophobicContact CB-CE2 3.7Å; F382-Y406 HydrophobicContact CD1-CE2 4.17Å; F382-Y406 HydrophobicContact CD2-CE2 4.19Å; F382-Y406 WeakPolarHBondContact CD2-OH 3.29Å; F382-Y406 AromaticContact CG-CE2 3.77Å; F382-Y406 HydrophobicContact CG-CE2 3.77Å; Q402-Y406 HydrophobicContact CB-CE2 4.42Å; Q402-Y406 VanDerWaalsContact O-CD2 3.32Å; Q402-Y406 WeakPolarHBondContact O-CD2 3.44Å; Q402-Y406 PolarHBondContact O-N 2.9Å; I403-Y406 PolarHBondContact O-N 2.97Å; V404-Y406 PolarHBondContact O-N 3.37Å; Y406-T409 PolarHBondContact O-N 2.73Å; Y406-G410 PolarHBondContact O-N 2.96Å
407I83.9Confident81.2Confident76 Ų7624 Ų2439%0.3912%0.123SC..Hα-helixtrans-64-43.2173.4-67.7166.8000110.9V375 I403 V404 N405 T409 G410 V411V375-I407 HydrophobicContact CG1-CG1 4.43Å; I403-I407 HydrophobicContact CG2-CD1 4.15Å; I403-I407 WeakPolarHBondContact O-CG1 3.06Å; I403-I407 PolarHBondContact O-N 2.7Å; V404-I407 PolarHBondContact O-N 2.81Å; N405-I407 VanDerWaalsContact C-N 3.35Å; N405-I407 PolarHBondContact O-N 3.42Å; I407-T409 VanDerWaalsContact C-N 3.34Å; I407-T409 PolarHBondContact O-N 3Å; I407-G410 PolarHBondContact O-N 2.9Å; I407-V411 HydrophobicContact CG2-CG2 4.37Å; I407-V411 WeakPolarHBondContact O-CG2 2.98Å; I407-V411 PolarHBondContact O-N 3.1Å
408I81.4Confident81.6Confident4 Ų425.5 Ų25.52%0.02113%0.131CC..Hα-helixtrans-59.2-44.5174.7-72.2166.3000110.7A110 I144 V404 N405 G410 V411 T412 A885A110-I408 HydrophobicContact CB-CD1 4.46Å; A110-I408 HydrophobicContact CB-CG1 3.76Å; I144-I408 HydrophobicContact CD1-CG2 3.97Å; V404-I408 HydrophobicContact CG1-CD1 3.93Å; V404-I408 HydrophobicContact CG1-CG1 4.49Å; V404-I408 WeakPolarHBondContact O-CG1 3.46Å; V404-I408 PolarHBondContact O-N 3.03Å; N405-I408 PolarHBondContact O-N 3.48Å; I408-G410 PolarHBondContact O-N 3.34Å; I408-V411 PolarHBondContact O-N 3.41Å; I408-T412 VanDerWaalsContact O-CB 3.32Å; I408-T412 WeakPolarHBondContact O-CB 3.34Å; I408-T412 PolarHBondContact O-N 3.42Å; I408-T412 PolarHBondContact O-OG1 3.11Å; I408-A885 HydrophobicContact CG2-CB 3.94Å
409T80.4Confident81.6Confident20 Ų2022 Ų2212%0.12312%0.116CC..Hα-helixtrans-59.3-45.3174.7-59.70000111.1L378 N405 Y406 I407 T412 V413L378-T409 HydrophobicContact CD1-CG2 4.43Å; N405-T409 PolarHBondContact O-N 3.09Å; N405-T409 PolarHBondContact O-OG1 2.94Å; N405-T409 VanDerWaalsContact O-OG1 3.11Å; Y406-T409 PolarHBondContact O-N 2.73Å; I407-T409 VanDerWaalsContact C-N 3.34Å; I407-T409 PolarHBondContact O-N 3Å; T409-T412 WeakPolarHBondContact O-CB 3.47Å; T409-T412 PolarHBondContact O-N 2.66Å; T409-V413 WeakPolarHBondContact O-CG2 3.18Å; T409-V413 PolarHBondContact O-N 3.33Å
410G85.4Confident81.2Confident4 Ų424.6 Ų24.64%0.04113%0.129CC..Hα-helixtrans-60.1-46.9174.800000114.3A371 V375 Y406 I407 I408 T412 V413 L414A371-G410 WeakPolarHBondContact CB-O 3.29Å; V375-G410 VanDerWaalsContact CG2-CA 3.46Å; Y406-G410 PolarHBondContact O-N 2.96Å; I407-G410 PolarHBondContact O-N 2.9Å; I408-G410 PolarHBondContact O-N 3.34Å; G410-T412 VanDerWaalsContact C-N 3.3Å; G410-T412 PolarHBondContact O-N 3.46Å; G410-V413 PolarHBondContact O-N 3.2Å; G410-L414 PolarHBondContact O-N 2.85Å
411V83.9Confident80.8Confident19 Ų1921.7 Ų21.712%0.11511%0.114CC..Hα-helixtrans-62.8-39.7176.4173.70000110.7V106 L107 I407 I408 L414 V415V106-V411 HydrophobicContact CG1-CB 4.5Å; V106-V411 HydrophobicContact CG1-CG1 3.97Å; V106-V411 HydrophobicContact CG1-CG2 3.63Å; L107-V411 HydrophobicContact CB-CG1 4.16Å; L107-V411 HydrophobicContact CD1-CG1 4.13Å; I407-V411 HydrophobicContact CG2-CG2 4.37Å; I407-V411 WeakPolarHBondContact O-CG2 2.98Å; I407-V411 PolarHBondContact O-N 3.1Å; I408-V411 PolarHBondContact O-N 3.41Å; V411-L414 WeakPolarHBondContact O-CB 3.45Å; V411-L414 PolarHBondContact O-N 3Å; V411-V415 HydrophobicContact CG1-CG2 4.45Å; V411-V415 WeakPolarHBondContact O-CG2 3.28Å; V411-V415 PolarHBondContact O-N 3.02Å
412T81.1Confident80.8Confident4 Ų420.5 Ų20.53%0.02511%0.109CC..Hα-helixtrans-62-45175.5-57.90000111.4I408 T409 G410 L414 V415 V416 A885 M888I408-T412 VanDerWaalsContact O-CB 3.32Å; I408-T412 WeakPolarHBondContact O-CB 3.34Å; I408-T412 PolarHBondContact O-N 3.42Å; I408-T412 PolarHBondContact O-OG1 3.11Å; T409-T412 WeakPolarHBondContact O-CB 3.47Å; T409-T412 PolarHBondContact O-N 2.66Å; G410-T412 VanDerWaalsContact C-N 3.3Å; G410-T412 PolarHBondContact O-N 3.46Å; T412-L414 VanDerWaalsContact C-N 3.29Å; T412-L414 PolarHBondContact O-N 2.8Å; T412-V415 PolarHBondContact O-N 2.95Å; T412-V416 PolarHBondContact O-N 3Å; T412-A885 HydrophobicContact CG2-CB 4.38Å; T412-M888 HydrophobicContact CG2-CB 3.3Å; T412-M888 HydrophobicContact CG2-CG 3.86Å
413V84.2Confident80.4Confident3 Ų322.5 Ų22.52%0.01813%0.126CC..Hα-helixtrans-60.8-39.5175171.10000111.3A371 T409 G410 A417 A871A371-V413 HydrophobicContact CB-CB 4.43Å; A371-V413 HydrophobicContact CB-CG1 4.24Å; T409-V413 WeakPolarHBondContact O-CG2 3.18Å; T409-V413 PolarHBondContact O-N 3.33Å; G410-V413 PolarHBondContact O-N 3.2Å; V413-A417 WeakPolarHBondContact O-CB 3.45Å; V413-A417 PolarHBondContact O-N 3.08Å; V413-A871 HydrophobicContact CG2-CB 3.45Å; V413-A871 VanDerWaalsContact CG2-CB 3.45Å
414L85.4Confident79.9Confident44 Ų4421.7 Ų21.723%0.2312%0.122CC..Hα-helixtrans-64.1-45.3174.3177.460.6000112.1T368 A371 G410 V411 T412 A417 V418T368-L414 WeakPolarHBondContact OG1-CD1 3.46Å; A371-L414 HydrophobicContact CB-CB 3.99Å; G410-L414 PolarHBondContact O-N 2.85Å; V411-L414 WeakPolarHBondContact O-CB 3.45Å; V411-L414 PolarHBondContact O-N 3Å; T412-L414 VanDerWaalsContact C-N 3.29Å; T412-L414 PolarHBondContact O-N 2.8Å; L414-A417 PolarHBondContact O-N 3.33Å; L414-V418 HydrophobicContact CD1-CG2 3.96Å; L414-V418 WeakPolarHBondContact O-CG2 3.35Å; L414-V418 PolarHBondContact O-N 2.9Å
415V81.1Confident79.9Confident7 Ų720.9 Ų20.94%0.04212%0.117CC..Hα-helixtrans-59.6-46.1178.2165.70000111.4V411 T412 A417 V418 L889 N892V411-V415 HydrophobicContact CG1-CG2 4.45Å; V411-V415 WeakPolarHBondContact O-CG2 3.28Å; V411-V415 PolarHBondContact O-N 3.02Å; T412-V415 PolarHBondContact O-N 2.95Å; V415-A417 VanDerWaalsContact C-N 3.3Å; V415-A417 PolarHBondContact O-N 3.42Å; V415-V418 PolarHBondContact O-N 3.42Å; V415-L889 HydrophobicContact CG1-CD2 3.92Å; V415-N892 WeakPolarHBondContact CG1-ND2 3.44Å; V415-N892 PolarHBondContact O-ND2 2.79Å
416V82.1Confident80Confident2 Ų220.3 Ų20.31%0.01211%0.114CC..Hα-helixtrans-70.3-28.4176.9176.90000112.1T412 N864 A867 M888 N892 M895T412-V416 PolarHBondContact O-N 3Å; V416-N864 PolarHBondContact O-ND2 2.88Å; V416-A867 HydrophobicContact CG1-CB 3.6Å; V416-M888 HydrophobicContact CB-CE 4.2Å; V416-M888 HydrophobicContact CG1-CE 4.32Å; V416-M888 HydrophobicContact CG2-CB 3.98Å; V416-M888 HydrophobicContact CG2-CE 3.91Å; V416-M888 HydrophobicContact CG2-SD 4.35Å; V416-N892 HydrophobicContact CG2-CB 4.41Å; V416-M895 HydrophobicContact CG1-CE 4.48Å; V416-M895 HydrophobicContact CG1-SD 4.42Å
417A84.3Confident79.5Confident0 Ų020.7 Ų20.70%012%0.119CC..Hα-helixtrans-73.6-31.3177.600000113.5I363 G367 V413 L414 V415 P419 N864 I868I363-A417 WeakPolarHBondContact CG2-O 3.46Å; G367-A417 VanDerWaalsContact CA-CB 3.44Å; V413-A417 WeakPolarHBondContact O-CB 3.45Å; V413-A417 PolarHBondContact O-N 3.08Å; L414-A417 PolarHBondContact O-N 3.33Å; V415-A417 VanDerWaalsContact C-N 3.3Å; V415-A417 PolarHBondContact O-N 3.42Å; A417-P419 WeakPolarHBondContact O-CD 3.43Å; A417-N864 PolarHBondContact O-ND2 2.85Å; A417-I868 HydrophobicContact CB-CD1 3.56Å; A417-I868 HydrophobicContact CB-CG1 3.91Å
418V79.4Confident79.2Confident37 Ų3717.4 Ų17.422%0.22410%0.102CC..SBendtrans-85.3117.7-178.21760000110.6L414 V415 E420L414-V418 HydrophobicContact CD1-CG2 3.96Å; L414-V418 WeakPolarHBondContact O-CG2 3.35Å; L414-V418 PolarHBondContact O-N 2.9Å; V415-V418 PolarHBondContact O-N 3.42Å; V418-E420 HydrophobicContact CG1-CG 4.06Å; V418-E420 PolarHBondContact O-N 2.94Å; V418-E420 VanDerWaalsContact O-N 3.08Å
419P76.4Confident79.3Confident6 Ų617.2 Ų17.24%0.03910%0.101CC..  trans-82.386179.933.3-35.8000111.5A360 I363 A417 L422 Q860A360-P419 HydrophobicContact CB-CG 4.41Å; I363-P419 HydrophobicContact CD1-CG 4.11Å; I363-P419 HydrophobicContact CG2-CG 4.47Å; A417-P419 WeakPolarHBondContact O-CD 3.43Å; P419-L422 HydrophobicContact CB-CD1 3.74Å; P419-L422 HydrophobicContact CB-CG 3.97Å; P419-L422 HydrophobicContact CG-CD1 3.62Å; P419-L422 HydrophobicContact CG-CG 4.36Å; P419-Q860 HydrophobicContact CB-CG 4.46Å
420E72.8Confident79.4Confident57 Ų5717 Ų1727%0.26610%0.099SC..THydrogen-bonded Turntrans-69.6-30.6-175.9-67.1-175.8-179.200112.7T103 V418 P423 D896T103-E420 PolarHBondContact OG1-OE1 3.47Å; V418-E420 HydrophobicContact CG1-CG 4.06Å; V418-E420 PolarHBondContact O-N 2.94Å; V418-E420 VanDerWaalsContact O-N 3.08Å; E420-P423 WeakPolarHBondContact O-CD 3.3Å; E420-D896 PolarHBondContact N-OD2 3.27Å
421G71.7Confident79Confident4 Ų416.8 Ų16.84%0.04110%0.097CC..THydrogen-bonded Turntrans-84.6-0179.200000115.4L424 A425 D896G421-L424 CarbonylContact O-C 3.56Å; G421-L424 WeakPolarHBondContact O-CA 3.31Å; G421-L424 WeakPolarHBondContact O-CB 3.32Å; G421-L424 PolarHBondContact O-N 3.09Å; G421-L424 VanDerWaalsContact O-N 3.12Å; G421-A425 WeakPolarHBondContact O-CB 3.48Å; G421-A425 PolarHBondContact O-N 3.1Å; G421-D896 WeakPolarHBondContact CA-OD1 3.32Å; G421-D896 PolarHBondContact N-OD1 3.4Å; G421-D896 PolarHBondContact N-OD2 2.85Å
422L76.6Confident78.9Confident3 Ų318.1 Ų18.12%0.01610%0.1CC..Hα-helixtrans-59.6-49.3172.9-84.5174.8000113.4L356 P419 L424 A425 V426 F856 L857L356-L422 HydrophobicContact CD2-CD1 4.43Å; L356-L422 HydrophobicContact CD2-CD2 4.1Å; P419-L422 HydrophobicContact CB-CD1 3.74Å; P419-L422 HydrophobicContact CB-CG 3.97Å; P419-L422 HydrophobicContact CG-CD1 3.62Å; P419-L422 HydrophobicContact CG-CG 4.36Å; L422-L424 PolarHBondContact O-N 2.98Å; L422-A425 PolarHBondContact O-N 3.41Å; L422-V426 WeakPolarHBondContact O-CG2 3.03Å; L422-V426 PolarHBondContact O-N 2.87Å; L422-F856 HydrophobicContact CD2-CD1 3.91Å; L422-F856 HydrophobicContact CD2-CE1 3.71Å; L422-F856 HydrophobicContact CG-CE1 4.27Å; L422-L857 HydrophobicContact CD1-CD1 3.96Å; L422-L857 HydrophobicContact CD2-CB 4.5Å; L422-L857 HydrophobicContact CD2-CD1 3.72Å; L422-L857 HydrophobicContact CG-CD1 4.46Å
423P71.4Confident79.2Confident84 Ų8417.9 Ų17.955%0.54510%0.099SC..Hα-helixtrans-58.8-33.9170.9-24.734.7000113.5E420 T427E420-P423 WeakPolarHBondContact O-CD 3.3Å; P423-T427 PolarHBondContact O-N 3.5Å; P423-T427 PolarHBondContact O-OG1 2.7Å
424L73Confident79.1Confident18 Ų1817.9 Ų17.99%0.09410%0.099CC..Hα-helixtrans-67.9-49.8177.7-178.862.4000110.9N158 G421 L422 V426 T427 L428N158-L424 HydrophobicContact CB-CD1 4.21Å; N158-L424 HydrophobicContact CB-CD2 4.12Å; G421-L424 CarbonylContact O-C 3.56Å; G421-L424 WeakPolarHBondContact O-CA 3.31Å; G421-L424 WeakPolarHBondContact O-CB 3.32Å; G421-L424 PolarHBondContact O-N 3.09Å; G421-L424 VanDerWaalsContact O-N 3.12Å; L422-L424 PolarHBondContact O-N 2.98Å; L424-V426 VanDerWaalsContact C-N 3.33Å; L424-V426 PolarHBondContact O-N 3.32Å; L424-T427 PolarHBondContact O-N 2.91Å; L424-L428 HydrophobicContact CD1-CD1 3.94Å; L424-L428 HydrophobicContact CD1-CD2 4.44Å; L424-L428 HydrophobicContact CD1-CG 3.9Å; L424-L428 HydrophobicContact CD2-CD1 4.3Å; L424-L428 HydrophobicContact CG-CD1 3.74Å; L424-L428 HydrophobicContact CG-CG 4.13Å; L424-L428 WeakPolarHBondContact O-CB 3.49Å; L424-L428 WeakPolarHBondContact O-CG 3.37Å; L424-L428 PolarHBondContact O-N 3.16Å
425A79.7Confident79Confident0 Ų020.7 Ų20.70%011%0.109CC..Hα-helixtrans-55.1-44.8177.900000112.4G421 L422 T427 S429 F856G421-A425 WeakPolarHBondContact O-CB 3.48Å; G421-A425 PolarHBondContact O-N 3.1Å; L422-A425 PolarHBondContact O-N 3.41Å; A425-T427 PolarHBondContact O-N 3.42Å; A425-S429 VanDerWaalsContact O-CB 3.28Å; A425-S429 WeakPolarHBondContact O-CB 3.4Å; A425-S429 PolarHBondContact O-N 2.84Å; A425-F856 HydrophobicContact CB-CD1 3.4Å; A425-F856 VanDerWaalsContact CB-CD1 3.4Å; A425-F856 HydrophobicContact CB-CE1 3.59Å; A425-F856 HydrophobicContact CB-CG 4.15Å; A425-F856 HydrophobicContact CB-CZ 4.47Å
426V79.9Confident79.3Confident10 Ų1024.5 Ų24.56%0.06112%0.123CC..Hα-helixtrans-57.9-49.6173.7175.70000110.8L356 L422 L424 S429 L430 I853L356-V426 HydrophobicContact CD1-CG2 3.15Å; L422-V426 WeakPolarHBondContact O-CG2 3.03Å; L422-V426 PolarHBondContact O-N 2.87Å; L424-V426 VanDerWaalsContact C-N 3.33Å; L424-V426 PolarHBondContact O-N 3.32Å; V426-S429 PolarHBondContact O-N 2.8Å; V426-L430 HydrophobicContact CG1-CD1 3.84Å; V426-L430 WeakPolarHBondContact O-CB 3.43Å; V426-L430 WeakPolarHBondContact O-CG 3.29Å; V426-L430 PolarHBondContact O-N 3.18Å; V426-I853 HydrophobicContact CB-CD1 4.3Å; V426-I853 HydrophobicContact CG1-CD1 4.36Å; V426-I853 HydrophobicContact CG2-CD1 4.04Å; V426-I853 HydrophobicContact CG2-CG1 4.48Å; V426-I853 HydrophobicContact CG2-CG2 4.46Å
427T75.5Confident79.5Confident32 Ų3224.4 Ų24.420%0.19612%0.123CC..Hα-helixtrans-71.1-38-174.2-44.30000112K162 F166 P423 L424 A425 A431K162-T427 HydrophobicContact CD-CG2 3.52Å; K162-T427 HydrophobicContact CG-CG2 3.96Å; F166-T427 HydrophobicContact CE2-CG2 3.76Å; F166-T427 HydrophobicContact CZ-CG2 3.68Å; P423-T427 PolarHBondContact O-N 3.5Å; P423-T427 PolarHBondContact O-OG1 2.7Å; L424-T427 PolarHBondContact O-N 2.91Å; A425-T427 PolarHBondContact O-N 3.42Å; T427-A431 VanDerWaalsContact O-CB 3.24Å; T427-A431 WeakPolarHBondContact O-CB 3.39Å; T427-A431 PolarHBondContact O-N 3.4Å
428L77.7Confident79.5Confident7 Ų726.2 Ų26.24%0.03713%0.132CC..Hα-helixtrans-66.2-45.5174.6-72.2177.1000111.3L424 L430 A431 Y432 L901L424-L428 HydrophobicContact CD1-CD1 3.94Å; L424-L428 HydrophobicContact CD1-CD2 4.44Å; L424-L428 HydrophobicContact CD1-CG 3.9Å; L424-L428 HydrophobicContact CD2-CD1 4.3Å; L424-L428 HydrophobicContact CG-CD1 3.74Å; L424-L428 HydrophobicContact CG-CG 4.13Å; L424-L428 WeakPolarHBondContact O-CB 3.49Å; L424-L428 WeakPolarHBondContact O-CG 3.37Å; L424-L428 PolarHBondContact O-N 3.16Å; L428-L430 VanDerWaalsContact C-N 3.34Å; L428-L430 PolarHBondContact O-N 3.22Å; L428-A431 PolarHBondContact O-N 3.39Å; L428-Y432 WeakPolarHBondContact O-CB 3.24Å; L428-Y432 PolarHBondContact O-N 3.08Å; L428-L901 HydrophobicContact CD1-CD1 4.19Å
429S83.6Confident79.9Confident0 Ų031 Ų310%015%0.149CC..Hα-helixtrans-61.9-42.9177.8-158.80000111.4A425 V426 S433 A904A425-S429 VanDerWaalsContact O-CB 3.28Å; A425-S429 WeakPolarHBondContact O-CB 3.4Å; A425-S429 PolarHBondContact O-N 2.84Å; V426-S429 PolarHBondContact O-N 2.8Å; S429-S433 WeakPolarHBondContact O-CB 3.3Å; S429-S433 PolarHBondContact O-N 3.12Å; S429-S433 PolarHBondContact O-OG 2.96Å; S429-A904 PolarHBondContact OG-O 3.36Å
430L82.3Confident80.5Confident15 Ų1532.9 Ų32.98%0.07916%0.159CC..Hα-helixtrans-64.3-49.9174.6-77.2168000112.3V426 L428 Y432 S433 V434 C450 E451 V849V426-L430 HydrophobicContact CG1-CD1 3.84Å; V426-L430 WeakPolarHBondContact O-CB 3.43Å; V426-L430 WeakPolarHBondContact O-CG 3.29Å; V426-L430 PolarHBondContact O-N 3.18Å; L428-L430 VanDerWaalsContact C-N 3.34Å; L428-L430 PolarHBondContact O-N 3.22Å; L430-Y432 PolarHBondContact O-N 3.43Å; L430-S433 PolarHBondContact O-N 3.41Å; L430-V434 WeakPolarHBondContact O-CB 3.5Å; L430-V434 VanDerWaalsContact O-CG2 3.3Å; L430-V434 WeakPolarHBondContact O-CG2 3.39Å; L430-V434 PolarHBondContact O-N 3.3Å; L430-C450 HydrophobicContact CD2-CB 4.08Å; L430-E451 HydrophobicContact CD2-CB 4.45Å; L430-V849 HydrophobicContact CD2-CG1 4Å; L430-V849 HydrophobicContact CD2-CG2 4.49Å; L430-V849 HydrophobicContact CG-CG1 4.25Å
431A78Confident81.3Confident0 Ų032.9 Ų32.90%016%0.161CC..Hα-helixtrans-63-42.3-178.900000112.1F166 T427 L428 K435F166-A431 HydrophobicContact CE1-CB 4.22Å; F166-A431 HydrophobicContact CZ-CB 4.15Å; T427-A431 VanDerWaalsContact O-CB 3.24Å; T427-A431 WeakPolarHBondContact O-CB 3.39Å; T427-A431 PolarHBondContact O-N 3.4Å; L428-A431 PolarHBondContact O-N 3.39Å; A431-K435 VanDerWaalsContact O-CB 3.31Å; A431-K435 WeakPolarHBondContact O-CB 3.39Å; A431-K435 PolarHBondContact O-N 2.88Å; A431-K435 VanDerWaalsContact O-N 3.07Å
432Y81.6Confident82.2Confident47 Ų4732.7 Ų32.718%0.18416%0.159CC..Hα-helixtrans-61.8-49.1173.3-178.5-87.1000111.5L428 L430 K435 R436 W845 T905L428-Y432 WeakPolarHBondContact O-CB 3.24Å; L428-Y432 PolarHBondContact O-N 3.08Å; L430-Y432 PolarHBondContact O-N 3.43Å; Y432-K435 PolarHBondContact O-N 2.89Å; Y432-R436 HydrophobicContact CD1-CG 4.17Å; Y432-R436 HydrophobicContact CE1-CG 3.8Å; Y432-R436 WeakPolarHBondContact O-CG 3.24Å; Y432-R436 PolarHBondContact O-N 3.4Å; Y432-W845 HydrophobicContact CD1-CZ3 4.41Å; Y432-W845 HydrophobicContact CE1-CH2 4.25Å; Y432-W845 HydrophobicContact CE1-CZ3 4.26Å; Y432-T905 HydrophobicContact CD2-CG2 3.88Å; Y432-T905 WeakPolarHBondContact CE1-O 3.03Å; Y432-T905 HydrophobicContact CE2-CG2 4.3Å; Y432-T905 HydrophobicContact CG-CG2 4.15Å
433S86Confident82.7Confident0 Ų032.9 Ų32.90%016%0.16CC..Hα-helixtrans-66.2-41.2-177.6-61.70000112S429 L430 R436 M437 V849S429-S433 WeakPolarHBondContact O-CB 3.3Å; S429-S433 PolarHBondContact O-N 3.12Å; S429-S433 PolarHBondContact O-OG 2.96Å; L430-S433 PolarHBondContact O-N 3.41Å; S433-R436 CarbonylContact O-C 3.53Å; S433-R436 PolarHBondContact O-N 3.43Å; S433-R436 VanDerWaalsContact O-N 3.11Å; S433-M437 WeakPolarHBondContact O-CB 3.44Å; S433-M437 WeakPolarHBondContact O-CG 3.24Å; S433-M437 PolarHBondContact O-N 2.94Å; S433-V849 VanDerWaalsContact OG-CG2 3.29Å; S433-V849 WeakPolarHBondContact OG-CG2 3.5Å
434V83Confident83.5Confident2 Ų229.2 Ų29.21%0.01214%0.136CC..Hα-helixtrans-63.8-43175.2168.70000111.2L169 L430 R436 M437 M438 V444 L447 C450L169-V434 HydrophobicContact CD1-CB 4.32Å; L169-V434 HydrophobicContact CD1-CG1 3.63Å; L169-V434 HydrophobicContact CD2-CG1 3.89Å; L169-V434 HydrophobicContact CG-CG1 4.39Å; L430-V434 WeakPolarHBondContact O-CB 3.5Å; L430-V434 VanDerWaalsContact O-CG2 3.3Å; L430-V434 WeakPolarHBondContact O-CG2 3.39Å; L430-V434 PolarHBondContact O-N 3.3Å; V434-R436 PolarHBondContact O-N 3.32Å; V434-M437 PolarHBondContact O-N 3.5Å; V434-M438 WeakPolarHBondContact O-CB 3.46Å; V434-M438 PolarHBondContact O-N 2.89Å; V434-V444 HydrophobicContact CG1-CB 3.93Å; V434-V444 HydrophobicContact CG1-CG2 4.4Å; V434-V444 HydrophobicContact CG2-CB 4.04Å; V434-V444 HydrophobicContact CG2-CG1 4.1Å; V434-V444 HydrophobicContact CG2-CG2 4.18Å; V434-L447 HydrophobicContact CG1-CD2 4.44Å; V434-L447 HydrophobicContact CG2-CD2 3.99Å; V434-C450 HydrophobicContact CG2-CB 4.21Å
435K83.4Confident83.9Confident103 Ų10331.8 Ų31.845%0.44814%0.144SC..Hα-helixtrans-62-24.7174.2-176.5173.1-179.4176.60113.1A431 Y432A431-K435 VanDerWaalsContact O-CB 3.31Å; A431-K435 WeakPolarHBondContact O-CB 3.39Å; A431-K435 PolarHBondContact O-N 2.88Å; A431-K435 VanDerWaalsContact O-N 3.07Å; Y432-K435 PolarHBondContact O-N 2.89Å
436R87.2Confident83.8Confident88 Ų8835.1 Ų35.133%0.33216%0.16SC..Hα-helixtrans-89.1-43.6176.3-70.3-75.8151171.41.4112.9Y432 S433 V434 M438 K439 D440 W845Y432-R436 HydrophobicContact CD1-CG 4.17Å; Y432-R436 HydrophobicContact CE1-CG 3.8Å; Y432-R436 WeakPolarHBondContact O-CG 3.24Å; Y432-R436 PolarHBondContact O-N 3.4Å; S433-R436 CarbonylContact O-C 3.53Å; S433-R436 PolarHBondContact O-N 3.43Å; S433-R436 VanDerWaalsContact O-N 3.11Å; V434-R436 PolarHBondContact O-N 3.32Å; R436-M438 PolarHBondContact O-N 2.93Å; R436-K439 WeakPolarHBondContact O-CA 3.22Å; R436-K439 WeakPolarHBondContact O-CB 3.37Å; R436-K439 PolarHBondContact O-N 3.35Å; R436-D440 PolarHBondContact O-N 3.33Å; R436-D440 VanDerWaalsContact O-N 3.07Å; R436-W845 HydrophobicContact CB-CE3 4.48Å; R436-W845 HydrophobicContact CB-CH2 3.36Å; R436-W845 HydrophobicContact CB-CZ2 3.35Å; R436-W845 HydrophobicContact CB-CZ3 3.94Å; R436-W845 HydrophobicContact CG-CH2 3.69Å; R436-W845 HydrophobicContact CG-CZ2 4.09Å; R436-W845 HydrophobicContact CG-CZ3 4.34Å
437M86.7Confident83.6Confident0 Ų037.5 Ų37.50%017%0.172CC..Hα-helixtrans-49.4-42.2168.6-81.3179.1158.300111.4S433 V434 K439 D440 N441 N442 V444 C450 A842 W845S433-M437 WeakPolarHBondContact O-CB 3.44Å; S433-M437 WeakPolarHBondContact O-CG 3.24Å; S433-M437 PolarHBondContact O-N 2.94Å; V434-M437 PolarHBondContact O-N 3.5Å; M437-K439 VanDerWaalsContact C-N 3.26Å; M437-K439 PolarHBondContact O-N 2.98Å; M437-D440 CarbonylContact O-C 3.59Å; M437-D440 VanDerWaalsContact O-CA 3.23Å; M437-D440 WeakPolarHBondContact O-CA 3.33Å; M437-D440 WeakPolarHBondContact O-CB 3.45Å; M437-D440 PolarHBondContact O-N 2.9Å; M437-N441 PolarHBondContact O-N 3.48Å; M437-N442 CarbonylContact C-O 3.52Å; M437-N442 HydrophobicContact CB-CB 3.96Å; M437-N442 WeakPolarHBondContact O-CB 3.47Å; M437-N442 PolarHBondContact O-N 3.34Å; M437-V444 HydrophobicContact CB-CG2 4.35Å; M437-V444 HydrophobicContact SD-CG2 3.48Å; M437-V444 WeakPolarHBondContact SD-CG2 3.47Å; M437-C450 HydrophobicContact CE-CB 4.01Å; M437-C450 WeakPolarHBondContact CE-SG 3.33Å; M437-C450 HydrophobicContact SD-CB 4.06Å; M437-A842 HydrophobicContact CE-CB 4.33Å; M437-A842 WeakPolarHBondContact CE-O 3.27Å; M437-W845 HydrophobicContact CE-CB 3.4Å; M437-W845 VanDerWaalsContact CE-CB 3.4Å; M437-W845 HydrophobicContact CE-CG 4.4Å; M437-W845 HydrophobicContact CG-CB 3.76Å; M437-W845 HydrophobicContact CG-CD2 4.38Å; M437-W845 HydrophobicContact CG-CG 3.71Å; M437-W845 HydrophobicContact SD-CB 4.29Å
438M83.9Confident83.8Confident38 Ų3839.3 Ų39.319%0.18718%0.18CC..G310 helixtrans-65.3-24.8176.6-167.1-158.772.700113.7L169 K172 V434 R436 N442 L443L169-M438 HydrophobicContact CD2-SD 4.19Å; K172-M438 HydrophobicContact CD-CE 3.91Å; K172-M438 HydrophobicContact CD-SD 3.71Å; K172-M438 HydrophobicContact CG-SD 4.33Å; V434-M438 WeakPolarHBondContact O-CB 3.46Å; V434-M438 PolarHBondContact O-N 2.89Å; R436-M438 PolarHBondContact O-N 2.93Å; M438-N442 VanDerWaalsContact CA-O 3.29Å; M438-N442 WeakPolarHBondContact CA-O 3.45Å; M438-N442 PolarHBondContact N-O 3.3Å; M438-N442 VanDerWaalsContact N-O 3.15Å; M438-L443 HydrophobicContact CG-CD1 3.97Å; M438-L443 HydrophobicContact SD-CD1 4.34Å
439K87.2Confident84.3Confident138 Ų13839.1 Ų39.160%0.618%0.18SC*.G310 helixtrans-79.8-23.3168.4-65.7-168.4170.7-1570112.6R436 M437 N441R436-K439 WeakPolarHBondContact O-CA 3.22Å; R436-K439 WeakPolarHBondContact O-CB 3.37Å; R436-K439 PolarHBondContact O-N 3.35Å; M437-K439 VanDerWaalsContact C-N 3.26Å; M437-K439 PolarHBondContact O-N 2.98Å; K439-N441 VanDerWaalsContact C-N 3.26Å
440D89.3Confident84.4Confident45 Ų4539.1 Ų39.124%0.24118%0.18CC..G310 helixtrans-91.830.5172.1-83.8-45000111.9R436 M437 N442 K841 W845R436-D440 PolarHBondContact O-N 3.33Å; R436-D440 VanDerWaalsContact O-N 3.07Å; M437-D440 CarbonylContact O-C 3.59Å; M437-D440 VanDerWaalsContact O-CA 3.23Å; M437-D440 WeakPolarHBondContact O-CA 3.33Å; M437-D440 WeakPolarHBondContact O-CB 3.45Å; M437-D440 PolarHBondContact O-N 2.9Å; D440-N442 PolarHBondContact O-N 2.88Å; D440-N442 VanDerWaalsContact O-N 3.14Å; D440-N442 PolarHBondContact O-ND2 2.84Å; D440-K841 HydrophobicContact CB-CD 3.74Å; D440-K841 WeakPolarHBondContact OD1-CD 3.35Å; D440-K841 IonicContact OD1-NZ 3.49Å; D440-K841 PolarHBondContact OD1-NZ 2.88Å; D440-W845 PolarHBondContact OD2-NE1 3.22Å
441N89.3Confident84.6Confident57 Ų5738.6 Ų38.631%0.30518%0.177SC..THydrogen-bonded Turntrans58.121.4176.7-55.7-26.5000116.2M437 K439 L831 T832 D833M437-N441 PolarHBondContact O-N 3.48Å; K439-N441 VanDerWaalsContact C-N 3.26Å; N441-L831 WeakPolarHBondContact O-CA 3.3Å; N441-T832 VanDerWaalsContact CA-OG1 3.26Å; N441-T832 WeakPolarHBondContact CA-OG1 3.21Å; N441-T832 WeakPolarHBondContact CB-OG1 3.37Å; N441-T832 PolarHBondContact O-N 2.99Å; N441-T832 PolarHBondContact O-OG1 2.98Å; N441-D833 HydrophobicContact CB-CB 3.95Å; N441-D833 WeakPolarHBondContact CB-OD2 3.02Å; N441-D833 PolarHBondContact ND2-OD2 3.34Å
442N90.2Very high85.1Confident0 Ų039.1 Ų39.10%018%0.18CC..EExtended strand (participates in β ladder)trans-112.5101176.2-75.6-92.4000110.8M437 M438 D440 V444 I829 L831 S838M437-N442 CarbonylContact C-O 3.52Å; M437-N442 HydrophobicContact CB-CB 3.96Å; M437-N442 WeakPolarHBondContact O-CB 3.47Å; M437-N442 PolarHBondContact O-N 3.34Å; M438-N442 VanDerWaalsContact CA-O 3.29Å; M438-N442 WeakPolarHBondContact CA-O 3.45Å; M438-N442 PolarHBondContact N-O 3.3Å; M438-N442 VanDerWaalsContact N-O 3.15Å; D440-N442 PolarHBondContact O-N 2.88Å; D440-N442 VanDerWaalsContact O-N 3.14Å; D440-N442 PolarHBondContact O-ND2 2.84Å; N442-V444 PolarHBondContact O-N 3.42Å; N442-I829 HydrophobicContact CB-CG2 4.21Å; N442-L831 VanDerWaalsContact OD1-CD2 3.25Å; N442-L831 WeakPolarHBondContact OD1-CD2 3.26Å; N442-S838 PolarHBondContact ND2-O 2.94Å; N442-S838 PolarHBondContact OD1-O 2.79Å
443L88.3Confident85.6Confident7 Ų736.9 Ų36.94%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-86.199.1175.5-175.571.2000110.3I173 M438 R445 I829 I830 T832I173-L443 HydrophobicContact CG1-CD1 3.74Å; I173-L443 HydrophobicContact CG1-CD2 4.09Å; I173-L443 HydrophobicContact CG1-CG 4.03Å; M438-L443 HydrophobicContact CG-CD1 3.97Å; M438-L443 HydrophobicContact SD-CD1 4.34Å; L443-R445 PolarHBondContact O-N 3.43Å; L443-I829 WeakPolarHBondContact O-CA 3.12Å; L443-I830 HydrophobicContact CB-CB 4.28Å; L443-I830 HydrophobicContact CD2-CD1 4.45Å; L443-I830 PolarHBondContact N-O 3.35Å; L443-I830 PolarHBondContact O-N 3.34Å; L443-T832 HydrophobicContact CB-CG2 3.92Å
444V87.1Confident85.7Confident6 Ų636.9 Ų36.94%0.03617%0.172CC..EExtended strand (participates in β ladder)trans-80.6117.5179.9-176.40000110.6V434 M437 N442 H446 I829V434-V444 HydrophobicContact CG1-CB 3.93Å; V434-V444 HydrophobicContact CG1-CG2 4.4Å; V434-V444 HydrophobicContact CG2-CB 4.04Å; V434-V444 HydrophobicContact CG2-CG1 4.1Å; V434-V444 HydrophobicContact CG2-CG2 4.18Å; M437-V444 HydrophobicContact CB-CG2 4.35Å; M437-V444 HydrophobicContact SD-CG2 3.48Å; M437-V444 WeakPolarHBondContact SD-CG2 3.47Å; N442-V444 PolarHBondContact O-N 3.42Å; V444-H446 WeakPolarHBondContact CG1-O 3.3Å; V444-I829 HydrophobicContact CG1-CG1 4.36Å; V444-I829 HydrophobicContact CG2-CD1 4.29Å; V444-I829 HydrophobicContact CG2-CG1 4.21Å; V444-I829 HydrophobicContact CG2-CG2 4.43Å
445R82Confident86.1Confident72 Ų7237.4 Ų37.427%0.27217%0.174SC..SBendtrans-86.5-35.6175.6-57.1175.572.5-131.77.2112L443 K824 E825 S827 D828 I830L443-R445 PolarHBondContact O-N 3.43Å; R445-K824 PolarHBondContact NH1-O 2.87Å; R445-K824 VanDerWaalsContact NH1-O 3.08Å; R445-E825 PolarHBondContact NH1-O 3.09Å; R445-S827 PolarHBondContact NH1-O 3.37Å; R445-D828 WeakPolarHBondContact CB-O 3.35Å; R445-D828 PolarHBondContact N-O 2.96Å; R445-I830 HydrophobicContact CG-CD1 4.38Å; R445-I830 HydrophobicContact CG-CG1 4.5Å
446H78.2Confident86.5Confident70 Ų7032.6 Ų32.632%0.32415%0.153SC..SBendtrans-119.3113.5-179.3-64.5-42.6000110.2V444 D448 A449 D828V444-H446 WeakPolarHBondContact CG1-O 3.3Å; H446-D448 VanDerWaalsContact C-N 3.28Å; H446-D448 PolarHBondContact O-N 2.58Å; H446-A449 WeakPolarHBondContact O-CB 3.23Å; H446-A449 PolarHBondContact O-N 3.28Å; H446-D828 HydrophobicContact CB-CB 4.22Å; H446-D828 IonicContact CD2-OD1 2.62Å; H446-D828 PolarHBondContact CD2-OD1 3.27Å; H446-D828 VanDerWaalsContact CD2-OD1 3.23Å; H446-D828 PolarHBondContact N-O 3.45Å
447L75.6Confident86.8Confident61 Ų6129.3 Ų29.332%0.31914%0.143SC..Hα-helixtrans-61.5-35-166.9-60.1170000113.3F166 V434 A449 C450F166-L447 HydrophobicContact CD1-CD1 4.03Å; F166-L447 HydrophobicContact CD1-CD2 4.34Å; F166-L447 HydrophobicContact CE1-CD1 3.3Å; F166-L447 HydrophobicContact CE1-CD2 3.77Å; F166-L447 HydrophobicContact CE1-CG 4.18Å; F166-L447 HydrophobicContact CZ-CD1 3.79Å; V434-L447 HydrophobicContact CG1-CD2 4.44Å; V434-L447 HydrophobicContact CG2-CD2 3.99Å; L447-A449 PolarHBondContact O-N 3.01Å; L447-C450 VanDerWaalsContact O-CB 3.29Å; L447-C450 WeakPolarHBondContact O-CB 3.33Å; L447-C450 PolarHBondContact O-N 3.33Å
448D80.6Confident87.1Confident70 Ų7029.3 Ų29.337%0.37414%0.143SC..Hα-helixtrans-67.2-20.5177.154.1-48.7000113.4H446 C450 T452H446-D448 VanDerWaalsContact C-N 3.28Å; H446-D448 PolarHBondContact O-N 2.58Å; D448-C450 VanDerWaalsContact C-N 3.31Å; D448-C450 PolarHBondContact O-N 3.49Å; D448-T452 WeakPolarHBondContact O-CB 3.39Å; D448-T452 PolarHBondContact O-N 2.84Å; D448-T452 PolarHBondContact O-OG1 3.13Å
449A87Confident87.7Confident3 Ų327.5 Ų27.53%0.02513%0.134CC..Hα-helixtrans-67.5-31.8172.600000112.4H446 L447 T452 M453 V811 D828 I829H446-A449 WeakPolarHBondContact O-CB 3.23Å; H446-A449 PolarHBondContact O-N 3.28Å; L447-A449 PolarHBondContact O-N 3.01Å; A449-T452 PolarHBondContact O-N 2.97Å; A449-M453 WeakPolarHBondContact O-CB 3.45Å; A449-M453 PolarHBondContact O-N 3.04Å; A449-V811 HydrophobicContact CB-CG1 4.23Å; A449-V811 HydrophobicContact CB-CG2 4.26Å; A449-D828 HydrophobicContact CB-CB 3.56Å; A449-I829 HydrophobicContact CB-CD1 4.31Å; A449-I829 HydrophobicContact CB-CG1 4.19Å
450C85.8Confident88.1Confident0 Ų021.1 Ų21.10%011%0.107CC..Hα-helixtrans-58.8-50.8175.5174.30000111.4L430 V434 M437 L447 D448 G846L430-C450 HydrophobicContact CD2-CB 4.08Å; V434-C450 HydrophobicContact CG2-CB 4.21Å; M437-C450 HydrophobicContact CE-CB 4.01Å; M437-C450 WeakPolarHBondContact CE-SG 3.33Å; M437-C450 HydrophobicContact SD-CB 4.06Å; L447-C450 VanDerWaalsContact O-CB 3.29Å; L447-C450 WeakPolarHBondContact O-CB 3.33Å; L447-C450 PolarHBondContact O-N 3.33Å; D448-C450 VanDerWaalsContact C-N 3.31Å; D448-C450 PolarHBondContact O-N 3.49Å; C450-G846 WeakPolarHBondContact O-CA 3.48Å
451E86.6Confident88.3Confident3 Ų319 Ų191%0.01410%0.096CC..Hα-helixtrans-63.7-46.5173.7179.1-155131.900111.7S350 V351 L352 L430 M453 G454 N455S350-E451 WeakPolarHBondContact CB-OE2 3.48Å; S350-E451 PolarHBondContact OG-OE2 2.99Å; V351-E451 PolarHBondContact N-OE1 3.04Å; L352-E451 HydrophobicContact CB-CG 4.14Å; L352-E451 WeakPolarHBondContact CB-OE1 3.47Å; L352-E451 VanDerWaalsContact CB-OE2 3.31Å; L352-E451 WeakPolarHBondContact CB-OE2 3.43Å; L352-E451 HydrophobicContact CD2-CG 4.37Å; L352-E451 PolarHBondContact N-OE1 3.35Å; L430-E451 HydrophobicContact CD2-CB 4.45Å; E451-M453 VanDerWaalsContact C-N 3.27Å; E451-M453 PolarHBondContact O-N 3.3Å; E451-G454 PolarHBondContact O-N 3.28Å; E451-N455 PolarHBondContact O-ND2 3.41Å
452T88.5Confident88.3Confident11 Ų1116.9 Ų16.97%0.0679%0.085CC..Hα-helixtrans-62.4-37.1-173.8-590000111.4D448 A449 G454 N455 V792 D810 V811D448-T452 WeakPolarHBondContact O-CB 3.39Å; D448-T452 PolarHBondContact O-N 2.84Å; D448-T452 PolarHBondContact O-OG1 3.13Å; A449-T452 PolarHBondContact O-N 2.97Å; T452-G454 VanDerWaalsContact C-N 3.25Å; T452-G454 PolarHBondContact O-N 3.31Å; T452-N455 PolarHBondContact O-N 3.28Å; T452-V792 HydrophobicContact CG2-CG1 3.85Å; T452-D810 HydrophobicContact CG2-CB 3.92Å; T452-V811 HydrophobicContact CG2-CG2 3.88Å
453M91Very high88.2Confident0 Ų017.3 Ų17.30%09%0.087CC..Hα-helixtrans-63.2-28.7176.5-16560.2-173.400113.4A449 E451 N455 A456 I459 A794 V811 F813 I839 A842 V843A449-M453 WeakPolarHBondContact O-CB 3.45Å; A449-M453 PolarHBondContact O-N 3.04Å; E451-M453 VanDerWaalsContact C-N 3.27Å; E451-M453 PolarHBondContact O-N 3.3Å; M453-N455 PolarHBondContact O-N 3.24Å; M453-N455 VanDerWaalsContact O-N 3.14Å; M453-A456 HydrophobicContact CE-CB 4.12Å; M453-A456 VanDerWaalsContact O-CB 3.31Å; M453-A456 WeakPolarHBondContact O-CB 3.48Å; M453-A456 PolarHBondContact O-N 3.26Å; M453-A456 VanDerWaalsContact O-N 3.13Å; M453-A456 HydrophobicContact SD-CB 3.87Å; M453-I459 HydrophobicContact CE-CD1 4.34Å; M453-I459 HydrophobicContact CE-CG1 4.41Å; M453-A794 HydrophobicContact CE-CB 3.84Å; M453-A794 HydrophobicContact SD-CB 3.79Å; M453-V811 HydrophobicContact CB-CG2 4.26Å; M453-V811 HydrophobicContact SD-CB 4.27Å; M453-V811 HydrophobicContact SD-CG1 4.26Å; M453-V811 HydrophobicContact SD-CG2 4.34Å; M453-F813 HydrophobicContact CE-CE2 3.58Å; M453-F813 HydrophobicContact CE-CZ 3.75Å; M453-F813 HydrophobicContact CG-CE2 4.46Å; M453-F813 HydrophobicContact CG-CZ 4.07Å; M453-F813 HydrophobicContact SD-CE2 3.55Å; M453-F813 VanDerWaalsContact SD-CE2 3.55Å; M453-F813 HydrophobicContact SD-CZ 3.76Å; M453-I839 HydrophobicContact CE-CG2 3.54Å; M453-A842 HydrophobicContact CG-CB 4.25Å; M453-V843 HydrophobicContact CE-CG2 3.44Å; M453-V843 VanDerWaalsContact CE-CG2 3.44Å; M453-V843 HydrophobicContact CG-CG2 3.99Å; M453-V843 HydrophobicContact SD-CG2 4.41Å
454G89.6Confident87.8Confident1 Ų118.6 Ų18.61%0.0110%0.095CC..Hα-helixtrans-60.3-24173.900000113.6E451 T452 G846 R847E451-G454 PolarHBondContact O-N 3.28Å; T452-G454 VanDerWaalsContact C-N 3.25Å; T452-G454 PolarHBondContact O-N 3.31Å; G454-G846 VanDerWaalsContact CA-C 3.45Å; G454-R847 VanDerWaalsContact O-CG 3.25Å; G454-R847 WeakPolarHBondContact O-CG 3.45Å; G454-R847 PolarHBondContact O-NE 3.04Å
455N90.3Very high87.1Confident13 Ų1318.3 Ų18.37%0.079%0.093CC..THydrogen-bonded Turntrans-103.46.3-179.1-56.1-62.7000113.4E451 T452 M453 T457 V792 Y918E451-N455 PolarHBondContact O-ND2 3.41Å; T452-N455 PolarHBondContact O-N 3.28Å; M453-N455 PolarHBondContact O-N 3.24Å; M453-N455 VanDerWaalsContact O-N 3.14Å; N455-T457 PolarHBondContact O-N 3.01Å; N455-V792 HydrophobicContact CB-CG2 4.28Å; N455-V792 WeakPolarHBondContact O-CB 3.38Å; N455-Y918 PolarHBondContact OD1-O 3.32Å
456A91.8Very high87.1Confident1 Ų115 Ų151%0.0088%0.08CC..  trans-56133-179.500000111.9M453 I702 P917M453-A456 HydrophobicContact CE-CB 4.12Å; M453-A456 VanDerWaalsContact O-CB 3.31Å; M453-A456 WeakPolarHBondContact O-CB 3.48Å; M453-A456 PolarHBondContact O-N 3.26Å; M453-A456 VanDerWaalsContact O-N 3.13Å; M453-A456 HydrophobicContact SD-CB 3.87Å; A456-I702 HydrophobicContact CB-CD1 4.45Å; A456-I702 WeakPolarHBondContact O-CG1 3.37Å; A456-P917 WeakPolarHBondContact O-CG 3.42Å
457T93Very high87.6Confident19 Ų1911.6 Ų11.612%0.1177%0.065CC..  trans-114.8-22.8177.161.30000112.5N455 T703 Q791 V792 P917N455-T457 PolarHBondContact O-N 3.01Å; T457-T703 PolarHBondContact O-N 3.11Å; T457-Q791 VanDerWaalsContact CB-OE1 3.26Å; T457-Q791 WeakPolarHBondContact OG1-CA 3.45Å; T457-Q791 PolarHBondContact OG1-OE1 3.33Å; T457-V792 PolarHBondContact N-O 2.95Å; T457-V792 PolarHBondContact OG1-N 3.27Å; T457-V792 VanDerWaalsContact OG1-N 3.07Å; T457-V792 PolarHBondContact OG1-O 2.95Å; T457-P917 HydrophobicContact CG2-CG 3.75Å
458A94.3Very high88.1Confident0 Ų08.7 Ų8.70%05%0.05CC..EExtended strand (participates in β ladder)trans-138.2140.8176.900000111T703 V792 A794A458-T703 WeakPolarHBondContact CA-O 3.05Å; A458-V792 PolarHBondContact N-O 3.1Å; A458-A794 PolarHBondContact O-N 3.5Å
459I96.4Very high88.2Confident0 Ų06.7 Ų6.70%04%0.04CC..EExtended strand (participates in β ladder)trans-116.8115.7168.6-65.5164.5000107.2M453 I702 T703 V704 R705 A794 T796 F836 I839M453-I459 HydrophobicContact CE-CD1 4.34Å; M453-I459 HydrophobicContact CE-CG1 4.41Å; I459-I702 HydrophobicContact CD1-CG2 3.76Å; I459-I702 HydrophobicContact CG1-CG2 3.77Å; I459-T703 PolarHBondContact N-O 3.48Å; I459-V704 CarbonylContact O-C 3.52Å; I459-V704 WeakPolarHBondContact O-CA 3.37Å; I459-R705 PolarHBondContact O-N 3.28Å; I459-A794 CarbonylContact C-O 3.5Å; I459-A794 WeakPolarHBondContact CA-O 3.39Å; I459-A794 HydrophobicContact CG1-CB 4.09Å; I459-T796 HydrophobicContact CG2-CG2 4.38Å; I459-F836 HydrophobicContact CG2-CE2 4.35Å; I459-F836 HydrophobicContact CG2-CZ 4.28Å; I459-I839 HydrophobicContact CD1-CG2 4.07Å
460C95.8Very high87.8Confident5 Ų58 Ų83%0.0345%0.047CC..EExtended strand (participates in β ladder)trans-94.4101.9169.4-65.50000108.3V707 A794 V795 T796C460-V707 HydrophobicContact CB-CG2 4.21Å; C460-A794 PolarHBondContact N-O 3.35Å; C460-V795 HydrophobicContact CB-CG2 4.34Å; C460-V795 VanDerWaalsContact O-CA 3.3Å; C460-V795 WeakPolarHBondContact O-CA 3.49Å; C460-T796 PolarHBondContact O-N 3.09Å
461S94.1Very high87.6Confident1 Ų111.5 Ų11.51%0.0076%0.06CC..EExtended strand (participates in β ladder)trans-97.4136.8-176.6-170.80000110.9T466 L467 R705 M706 V707 T796S461-T466 WeakPolarHBondContact OG-CG2 3.44Å; S461-L467 WeakPolarHBondContact OG-CG 2.92Å; S461-R705 PolarHBondContact N-O 3.5Å; S461-M706 WeakPolarHBondContact O-CA 3.38Å; S461-V707 PolarHBondContact O-N 3.31Å; S461-T796 VanDerWaalsContact CA-OG1 3.3Å; S461-T796 WeakPolarHBondContact CA-OG1 3.33Å; S461-T796 PolarHBondContact OG-OG1 3.39Å
462D88.8Confident87.6Confident12 Ų1212.8 Ų12.86%0.0647%0.066CC..  trans-65.9159.9156-162.780.2000110.1T464 L467 V707 K774 T796D462-T464 PolarHBondContact OD2-N 2.79Å; D462-L467 WeakPolarHBondContact O-CG 3.5Å; D462-V707 WeakPolarHBondContact CA-O 3.28Å; D462-K774 IonicContact OD1-NZ 3.17Å; D462-K774 PolarHBondContact OD1-NZ 2.8Å; D462-T796 PolarHBondContact N-OG1 3.49Å
463K87.3Confident87.7Confident9 Ų913.7 Ų13.74%0.0397%0.072CC..Iπ-helixtrans-86.6-53176.7-173-122.165.3-178.20111.2L467 T468 D684 M706 T708 D710 I718K463-L467 PolarHBondContact O-N 3.2Å; K463-T468 HydrophobicContact CD-CG2 4.05Å; K463-T468 HydrophobicContact CG-CG2 4.13Å; K463-T468 PolarHBondContact O-N 3.4Å; K463-T468 PolarHBondContact O-OG1 3.25Å; K463-T468 VanDerWaalsContact O-OG1 3.05Å; K463-D684 IonicContact NZ-OD2 2.73Å; K463-D684 PolarHBondContact NZ-OD2 2.81Å; K463-M706 HydrophobicContact CB-CE 4.47Å; K463-M706 HydrophobicContact CB-CG 4.08Å; K463-M706 HydrophobicContact CB-SD 3.95Å; K463-M706 HydrophobicContact CG-CE 4.04Å; K463-M706 HydrophobicContact CG-SD 3.9Å; K463-T708 HydrophobicContact CB-CG2 4.37Å; K463-D710 WeakPolarHBondContact CD-OD2 3.5Å; K463-D710 WeakPolarHBondContact CE-OD2 3.42Å; K463-D710 IonicContact NZ-OD2 2.7Å; K463-D710 PolarHBondContact NZ-OD2 2.89Å; K463-I718 HydrophobicContact CD-CG1 4.35Å; K463-I718 HydrophobicContact CD-CG2 4.32Å; K463-I718 HydrophobicContact CG-CB 4.49Å; K463-I718 HydrophobicContact CG-CG2 3.88Å
464T79.2Confident87.8Confident34 Ų3414.3 Ų14.321%0.2098%0.077CC..Iπ-helixtrans-75.4139.7-173.6-56.60000109.3D462 T466 N470D462-T464 PolarHBondContact OD2-N 2.79Å; T464-T466 PolarHBondContact O-N 2.85Å; T464-N470 HydrophobicContact CG2-CB 4.38Å; T464-N470 WeakPolarHBondContact CG2-OD1 3.23Å
465G74.3Confident87.9Confident0 Ų016.2 Ų16.20%09%0.088CC..Iπ-helixtrans75.5-43-178.300000113.8T468 R687G465-T468 CarbonylContact C-O 3.55Å; G465-R687 PolarHBondContact O-NH2 3.03Å
466T81.5Confident88.1Confident1 Ų116.1 Ų16.11%0.0069%0.087CC..Iπ-helixtrans-86-69.9-177.8-52.30000112.4S461 T464 R687 T796 M815 F836S461-T466 WeakPolarHBondContact OG-CG2 3.44Å; T464-T466 PolarHBondContact O-N 2.85Å; T466-R687 WeakPolarHBondContact O-CD 3.24Å; T466-R687 PolarHBondContact O-NE 2.89Å; T466-R687 VanDerWaalsContact O-NE 3.11Å; T466-T796 HydrophobicContact CG2-CG2 4.18Å; T466-T796 WeakPolarHBondContact CG2-OG1 3.49Å; T466-T796 PolarHBondContact OG1-OG1 2.82Å; T466-M815 HydrophobicContact CG2-CE 4Å; T466-M815 HydrophobicContact CG2-SD 4.47Å; T466-F836 HydrophobicContact CG2-CD2 3.91Å
467L88.4Confident88.2Confident0 Ų016 Ų160%09%0.087CC..Iπ-helixtrans-82.1-31.5-173.8-62.6175.4000112.2S461 D462 K463 R687 V690 I694 M706 I724 F836S461-L467 WeakPolarHBondContact OG-CG 2.92Å; D462-L467 WeakPolarHBondContact O-CG 3.5Å; K463-L467 PolarHBondContact O-N 3.2Å; L467-R687 PolarHBondContact O-N 2.66Å; L467-V690 HydrophobicContact CB-CG1 4.47Å; L467-V690 HydrophobicContact CD2-CG1 3.79Å; L467-V690 HydrophobicContact CD2-CG2 4.4Å; L467-I694 HydrophobicContact CD2-CD1 4.19Å; L467-M706 HydrophobicContact CD1-CE 3.95Å; L467-M706 HydrophobicContact CD1-CG 4.42Å; L467-I724 HydrophobicContact CD1-CD1 3.9Å; L467-F836 HydrophobicContact CD2-CD2 3.64Å; L467-F836 HydrophobicContact CD2-CE2 3.76Å; L467-F836 HydrophobicContact CD2-CG 4.19Å; L467-F836 HydrophobicContact CD2-CZ 4.41Å
468T86.8Confident88.2Confident0 Ų015.8 Ų15.80%08%0.084CC..BIsolated β-bridgetrans-101.6164175.560.60000111.4K463 G465 N470 D684 P685 R687 I718K463-T468 HydrophobicContact CD-CG2 4.05Å; K463-T468 HydrophobicContact CG-CG2 4.13Å; K463-T468 PolarHBondContact O-N 3.4Å; K463-T468 PolarHBondContact O-OG1 3.25Å; K463-T468 VanDerWaalsContact O-OG1 3.05Å; G465-T468 CarbonylContact C-O 3.55Å; T468-N470 PolarHBondContact O-N 3.41Å; T468-D684 WeakPolarHBondContact CB-OD1 3.34Å; T468-D684 WeakPolarHBondContact CB-OD2 3.43Å; T468-D684 HydrophobicContact CG2-CB 4.48Å; T468-D684 WeakPolarHBondContact CG2-O 3.37Å; T468-D684 PolarHBondContact OG1-OD1 3.2Å; T468-D684 PolarHBondContact OG1-OD2 3.03Å; T468-P685 CarbonylContact C-O 3.45Å; T468-P685 VanDerWaalsContact CA-O 3.27Å; T468-P685 WeakPolarHBondContact CA-O 3.26Å; T468-P685 WeakPolarHBondContact CB-O 3.09Å; T468-R687 PolarHBondContact O-NE 2.96Å; T468-I718 HydrophobicContact CG2-CD1 4.43Å; T468-I718 HydrophobicContact CG2-CG2 4.15Å
469T81.8Confident88.1Confident28 Ų2815.9 Ų15.917%0.1729%0.085CC..  trans-73.4-11-179.164.40000113.8R471 L524 P685 R687T469-R471 PolarHBondContact O-N 3.11Å; T469-L524 HydrophobicContact CG2-CD1 4.09Å; T469-P685 HydrophobicContact CG2-CG 4.37Å; T469-P685 PolarHBondContact N-O 3.27Å; T469-P685 WeakPolarHBondContact OG1-CG 3.12Å; T469-R687 HydrophobicContact CG2-CG 4.01Å
470N78Confident87.6Confident31 Ų3116.1 Ų16.117%0.1669%0.087CC..SBendtrans57.734.2-174.6-155.6-4.3000112.3T464 T468 K531 D684T464-N470 HydrophobicContact CG2-CB 4.38Å; T464-N470 WeakPolarHBondContact CG2-OD1 3.23Å; T468-N470 PolarHBondContact O-N 3.41Å; N470-K531 PolarHBondContact ND2-NZ 3.31Å; N470-K531 WeakPolarHBondContact O-CD 3.15Å; N470-K531 PolarHBondContact O-NZ 3.07Å; N470-K531 PolarHBondContact OD1-NZ 3.43Å; N470-D684 WeakPolarHBondContact CA-OD1 3.38Å; N470-D684 PolarHBondContact N-OD1 3.11Å
471R81.3Confident87.1Confident73 Ų7320.1 Ų20.128%0.27511%0.108SC..  trans-134.2102.7-179.4-66.6176.3-170.4-174.93.5107.2T469 T473 L524 D684 P685T469-R471 PolarHBondContact O-N 3.11Å; R471-T473 PolarHBondContact O-N 3.01Å; R471-L524 HydrophobicContact CB-CD1 4.25Å; R471-L524 PolarHBondContact NH1-O 3.07Å; R471-D684 PolarHBondContact N-OD1 2.9Å; R471-P685 WeakPolarHBondContact O-CD 3.49Å
472M86.8Confident86.9Confident29 Ų2925 Ų2514%0.14313%0.129CC..  trans-66.4130.7-178.2-68.7-65.6-57.900109.6Q527 K531 A535 I682 E683 D684M472-Q527 PolarHBondContact O-NE2 3.32Å; M472-K531 HydrophobicContact CB-CB 4.3Å; M472-K531 WeakPolarHBondContact CB-O 3.36Å; M472-K531 HydrophobicContact CG-CB 3.94Å; M472-A535 HydrophobicContact CB-CB 3.71Å; M472-A535 WeakPolarHBondContact O-CA 3.37Å; M472-A535 VanDerWaalsContact O-CB 3.22Å; M472-A535 WeakPolarHBondContact O-CB 3.45Å; M472-I682 HydrophobicContact CE-CB 3.98Å; M472-I682 HydrophobicContact CE-CD1 3.54Å; M472-I682 HydrophobicContact CE-CG1 3.46Å; M472-I682 VanDerWaalsContact CE-CG1 3.46Å; M472-E683 CarbonylContact C-O 3.56Å; M472-E683 WeakPolarHBondContact CA-O 3.3Å; M472-D684 HydrophobicContact SD-CB 3.71Å
473T90.5Very high87Confident31 Ų3127.2 Ų27.219%0.1914%0.139CC..EExtended strand (participates in β ladder)trans-126.5138.517950.60000109.8R471 L524 I682 E683 P685R471-T473 PolarHBondContact O-N 3.01Å; T473-L524 HydrophobicContact CG2-CD1 4.33Å; T473-L524 HydrophobicContact CG2-CD2 4.03Å; T473-I682 CarbonylContact O-C 3.57Å; T473-I682 VanDerWaalsContact O-CA 3.27Å; T473-I682 WeakPolarHBondContact O-CA 3.47Å; T473-E683 PolarHBondContact N-O 2.95Å; T473-E683 PolarHBondContact O-N 3.43Å; T473-E683 PolarHBondContact OG1-O 3.44Å; T473-P685 HydrophobicContact CG2-CG 4.36Å
474A92.9Very high87.2Confident12 Ų1228 Ų2810%0.09914%0.141CC..EExtended strand (participates in β ladder)trans-67.6141.7164.100000110I487 F539 I680 I682A474-I487 HydrophobicContact CB-CD1 3.74Å; A474-I487 WeakPolarHBondContact O-CD1 3.07Å; A474-F539 HydrophobicContact CB-CB 3.81Å; A474-F539 HydrophobicContact CB-CD2 3.83Å; A474-F539 HydrophobicContact CB-CG 4.27Å; A474-I680 HydrophobicContact CB-CG2 3.7Å; A474-I682 HydrophobicContact CB-CG2 4.01Å
475V91.9Very high87.7Confident42 Ų4232.7 Ų32.726%0.25516%0.159SC..EExtended strand (participates in β ladder)trans-132-38.6-178.7178.70000111.1R486 I487 G681 E683V475-R486 CarbonylContact O-C 3.52Å; V475-R486 WeakPolarHBondContact O-CA 3.42Å; V475-I487 PolarHBondContact O-N 3.06Å; V475-G681 PolarHBondContact N-O 3.11Å; V475-E683 HydrophobicContact CG2-CG 3.75Å
476Q94.5Very high88.5Confident10 Ų1039.6 Ų39.65%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-128.1155.3178.4-55.4-167.66.900110.9H483 Y484 M629 E632 L634 G681Q476-H483 PolarHBondContact OE1-NE2 3.46Å; Q476-Y484 VanDerWaalsContact CA-O 3.31Å; Q476-Y484 WeakPolarHBondContact CA-O 3.06Å; Q476-Y484 WeakPolarHBondContact CB-O 3.35Å; Q476-M629 HydrophobicContact CB-CE 3.97Å; Q476-E632 PolarHBondContact NE2-OE2 3.21Å; Q476-L634 HydrophobicContact CB-CD1 3.98Å; Q476-L634 VanDerWaalsContact CD-CD1 3.49Å; Q476-L634 HydrophobicContact CG-CD1 3.65Å; Q476-G681 PolarHBondContact N-O 3.3Å; Q476-G681 PolarHBondContact O-N 2.9Å
477C94.6Very high88.9Confident0 Ų041.3 Ų41.30%019%0.194CC..EExtended strand (participates in β ladder)trans-148153.3170.560.40000112.1I479 Y484 P488 F539 I679 I680C477-I479 HydrophobicContact CB-CD1 4.21Å; C477-I479 HydrophobicContact CB-CG1 4.32Å; C477-Y484 PolarHBondContact N-O 3.37Å; C477-Y484 VanDerWaalsContact N-O 3.09Å; C477-Y484 PolarHBondContact O-N 3.09Å; C477-P488 VanDerWaalsContact SG-CD 3.52Å; C477-F539 HydrophobicContact CB-CE2 3.87Å; C477-F539 HydrophobicContact CB-CZ 4.15Å; C477-I679 CarbonylContact C-O 3.53Å; C477-I679 VanDerWaalsContact CA-O 3.23Å; C477-I679 WeakPolarHBondContact CA-O 3.32Å; C477-I680 HydrophobicContact CB-CG1 4.4Å
478F93.7Very high88.9Confident13 Ų1341.4 Ų41.46%0.05719%0.194CC..EExtended strand (participates in β ladder)trans-116.2113.5168.3176.6-91.2000108.3N481 K482 H483 M603 L621 V625 M629 G678 I679F478-N481 VanDerWaalsContact CE2-C 3.41Å; F478-N481 WeakPolarHBondContact CE2-O 3.5Å; F478-N481 VanDerWaalsContact CZ-CA 3.49Å; F478-K482 WeakPolarHBondContact CA-O 3.36Å; F478-H483 HydrophobicContact CD2-CB 4.11Å; F478-M603 HydrophobicContact CE1-CE 4.23Å; F478-L621 HydrophobicContact CD1-CD1 3.79Å; F478-L621 HydrophobicContact CD2-CD1 4.37Å; F478-L621 HydrophobicContact CE1-CD1 3.4Å; F478-L621 VanDerWaalsContact CE1-CD1 3.4Å; F478-L621 HydrophobicContact CE2-CD1 4.03Å; F478-L621 HydrophobicContact CG-CD1 4.25Å; F478-L621 HydrophobicContact CZ-CD1 3.51Å; F478-V625 HydrophobicContact CB-CG1 3.78Å; F478-V625 HydrophobicContact CD2-CG1 4.09Å; F478-V625 HydrophobicContact CD2-CG2 3.79Å; F478-V625 HydrophobicContact CE2-CG2 3.98Å; F478-V625 HydrophobicContact CG-CG1 4.07Å; F478-V625 HydrophobicContact CG-CG2 4.43Å; F478-M629 HydrophobicContact CB-CE 4.41Å; F478-G678 CarbonylContact O-C 3.48Å; F478-G678 WeakPolarHBondContact O-CA 3.47Å; F478-I679 HydrophobicContact CB-CB 4.36Å; F478-I679 PolarHBondContact N-O 3.41Å; F478-I679 PolarHBondContact O-N 2.92Å
479I91.6Very high88.8Confident3 Ų344.7 Ų44.72%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-144.2138-175.5-61.3175.9000107.3C477 N481 K482 L493 I497 I501 F539C477-I479 HydrophobicContact CB-CD1 4.21Å; C477-I479 HydrophobicContact CB-CG1 4.32Å; I479-N481 PolarHBondContact O-N 3.25Å; I479-K482 PolarHBondContact N-O 3.48Å; I479-K482 VanDerWaalsContact N-O 3.16Å; I479-K482 PolarHBondContact O-N 2.91Å; I479-L493 HydrophobicContact CB-CD2 4.08Å; I479-L493 HydrophobicContact CD1-CD1 4.08Å; I479-L493 HydrophobicContact CG2-CD2 3.96Å; I479-I497 HydrophobicContact CG2-CG2 3.83Å; I479-I501 HydrophobicContact CD1-CD1 3.71Å; I479-I501 HydrophobicContact CG1-CD1 3.98Å; I479-I501 HydrophobicContact CG2-CD1 3.94Å; I479-F539 HydrophobicContact CD1-CE1 4.34Å; I479-F539 HydrophobicContact CD1-CZ 3.71Å
480G86.5Confident88.7Confident4 Ų444.6 Ų44.64%0.04122%0.217CC..THydrogen-bonded Turntrans55.652.7-179.400000111.6K482 E606G480-K482 PolarHBondContact O-N 2.9Å; G480-E606 WeakPolarHBondContact O-CG 3.49Å
481N85.5Confident88.9Confident89 Ų8948.2 Ų48.248%0.47624%0.244SC..THydrogen-bonded Turntrans57.111.2179.8-148.939.5000117.2F478 I479F478-N481 VanDerWaalsContact CE2-C 3.41Å; F478-N481 WeakPolarHBondContact CE2-O 3.5Å; F478-N481 VanDerWaalsContact CZ-CA 3.49Å; I479-N481 PolarHBondContact O-N 3.25Å
482K89Confident89Confident104 Ų10448.3 Ų48.345%0.45225%0.248SC..EExtended strand (participates in β ladder)trans-125.3132.8-174.6-178.3169164.1-163.10112.3F478 I479 G480 Y484F478-K482 WeakPolarHBondContact CA-O 3.36Å; I479-K482 PolarHBondContact N-O 3.48Å; I479-K482 VanDerWaalsContact N-O 3.16Å; I479-K482 PolarHBondContact O-N 2.91Å; G480-K482 PolarHBondContact O-N 2.9Å; K482-Y484 HydrophobicContact CB-CE2 3.88Å; K482-Y484 HydrophobicContact CD-CE1 4.3Å; K482-Y484 HydrophobicContact CD-CE2 4.15Å; K482-Y484 WeakPolarHBondContact CD-OH 3.28Å; K482-Y484 HydrophobicContact CG-CD2 4.35Å; K482-Y484 HydrophobicContact CG-CE2 3.8Å; K482-Y484 PolarHBondContact NZ-OH 2.94Å; K482-Y484 WeakPolarHBondContact O-CD2 3.28Å
483H91.1Very high88.8Confident58 Ų5847.6 Ų47.627%0.26925%0.245SC..EExtended strand (participates in β ladder)trans-91116.6178-177.1-171000110.8Q476 F478 M629Q476-H483 PolarHBondContact OE1-NE2 3.46Å; F478-H483 HydrophobicContact CD2-CB 4.11Å; H483-M629 VanDerWaalsContact CD2-CE 3.43Å; H483-M629 WeakPolarHBondContact CD2-CE 3.25Å; H483-M629 VanDerWaalsContact NE2-CE 3.29Å; H483-M629 WeakPolarHBondContact NE2-CE 3.31Å
484Y91.9Very high88.3Confident25 Ų2547.8 Ų47.810%0.09825%0.247CC..EExtended strand (participates in β ladder)trans-101.7119.9176.1-61.7-97.8000110.1Q476 C477 K482 R486 P488 E492 L493Q476-Y484 VanDerWaalsContact CA-O 3.31Å; Q476-Y484 WeakPolarHBondContact CA-O 3.06Å; Q476-Y484 WeakPolarHBondContact CB-O 3.35Å; C477-Y484 PolarHBondContact N-O 3.37Å; C477-Y484 VanDerWaalsContact N-O 3.09Å; C477-Y484 PolarHBondContact O-N 3.09Å; K482-Y484 HydrophobicContact CB-CE2 3.88Å; K482-Y484 HydrophobicContact CD-CE1 4.3Å; K482-Y484 HydrophobicContact CD-CE2 4.15Å; K482-Y484 WeakPolarHBondContact CD-OH 3.28Å; K482-Y484 HydrophobicContact CG-CD2 4.35Å; K482-Y484 HydrophobicContact CG-CE2 3.8Å; K482-Y484 PolarHBondContact NZ-OH 2.94Å; K482-Y484 WeakPolarHBondContact O-CD2 3.28Å; Y484-R486 VanDerWaalsContact C-N 3.27Å; Y484-R486 VanDerWaalsContact CB-O 3.3Å; Y484-R486 WeakPolarHBondContact CB-O 3.42Å; Y484-R486 PolarHBondContact O-N 3.3Å; Y484-P488 HydrophobicContact CD1-CB 3.87Å; Y484-P488 HydrophobicContact CD1-CG 4.05Å; Y484-P488 HydrophobicContact CD2-CG 4.47Å; Y484-P488 HydrophobicContact CE1-CB 4.01Å; Y484-P488 HydrophobicContact CE1-CG 4.34Å; Y484-P488 HydrophobicContact CG-CB 4.45Å; Y484-P488 HydrophobicContact CG-CG 4.13Å; Y484-E492 PolarHBondContact OH-O 3.32Å; Y484-L493 HydrophobicContact CE2-CD2 3.85Å
485K89.6Confident87.8Confident133 Ų13353 Ų5358%0.57827%0.269SS*.SBendtrans-79.7-3.1175.3-68.6-152.4174.6-149.10114.8E632K485-E632 IonicContact NZ-OE1 3.11Å; K485-E632 PolarHBondContact NZ-OE1 2.75Å
486R91.1Very high87.3Confident145 Ų14553.3 Ų53.355%0.54727%0.273SS..SBendtrans-130.9160.7169.466176.7-176.4126.310.7107.8V475 Y484 P488 E492V475-R486 CarbonylContact O-C 3.52Å; V475-R486 WeakPolarHBondContact O-CA 3.42Å; Y484-R486 VanDerWaalsContact C-N 3.27Å; Y484-R486 VanDerWaalsContact CB-O 3.3Å; Y484-R486 WeakPolarHBondContact CB-O 3.42Å; Y484-R486 PolarHBondContact O-N 3.3Å; R486-P488 WeakPolarHBondContact O-CD 3.4Å; R486-E492 IonicContact CZ-OE1 3.42Å; R486-E492 IonicContact CZ-OE2 2.74Å; R486-E492 IonicContact NH1-OE1 2.79Å; R486-E492 IonicContact NH2-OE1 3.83Å; R486-E492 PolarHBondContact NH2-OE1 2.92Å; R486-E492 IonicContact NH2-OE2 3.69Å; R486-E492 PolarHBondContact NH2-OE2 3.2Å
487I89.5Confident86.9Confident38 Ų3852.8 Ų52.820%0.19527%0.271CS..PPolyproline II helixtrans-67.7123.9167.7-62.9-179.6000108.9A474 V475 F539 S542 I543A474-I487 HydrophobicContact CB-CD1 3.74Å; A474-I487 WeakPolarHBondContact O-CD1 3.07Å; V475-I487 PolarHBondContact O-N 3.06Å; I487-F539 HydrophobicContact CD1-CD2 3.87Å; I487-F539 HydrophobicContact CG1-CD2 4.1Å; I487-F539 HydrophobicContact CG1-CE2 4.36Å; I487-F539 HydrophobicContact CG2-CD2 4.22Å; I487-F539 HydrophobicContact CG2-CE2 4.19Å; I487-S542 WeakPolarHBondContact CD1-OG 3.46Å; I487-I543 HydrophobicContact CG2-CG1 4.09Å
488P88.3Confident86.6Confident1 Ų153 Ų531%0.00627%0.271CS..PPolyproline II helixtrans-76.8153.9173.532.6-35.5000111.5C477 Y484 R486 E492 L493C477-P488 VanDerWaalsContact SG-CD 3.52Å; Y484-P488 HydrophobicContact CD1-CB 3.87Å; Y484-P488 HydrophobicContact CD1-CG 4.05Å; Y484-P488 HydrophobicContact CD2-CG 4.47Å; Y484-P488 HydrophobicContact CE1-CB 4.01Å; Y484-P488 HydrophobicContact CE1-CG 4.34Å; Y484-P488 HydrophobicContact CG-CB 4.45Å; Y484-P488 HydrophobicContact CG-CG 4.13Å; R486-P488 WeakPolarHBondContact O-CD 3.4Å; P488-E492 HydrophobicContact CB-CB 3.9Å; P488-L493 HydrophobicContact CB-CD1 4.5Å; P488-L493 HydrophobicContact CB-CG 4.24Å; P488-L493 HydrophobicContact CG-CD1 3.62Å; P488-L493 HydrophobicContact CG-CD2 4.1Å; P488-L493 HydrophobicContact CG-CG 3.76Å
489T85Confident86.4Confident69 Ų6955.7 Ų55.742%0.42329%0.287SS..PPolyproline II helixtrans-76.3157.6171.4-52.60000110.7S491 E492T489-S491 PolarHBondContact O-N 3.14Å; T489-E492 WeakPolarHBondContact O-CB 3.34Å; T489-E492 PolarHBondContact O-N 3.47Å
490A80.3Confident86.4Confident26 Ų2657.2 Ų57.222%0.21529%0.294CS..G310 helixtrans-51.6-29.7-179.900000115.2E492 I498 I543A490-E492 VanDerWaalsContact C-N 3.33Å; A490-E492 PolarHBondContact O-N 3.5Å; A490-I498 HydrophobicContact CB-CD1 4.21Å; A490-I498 VanDerWaalsContact O-CD1 3.26Å; A490-I498 WeakPolarHBondContact O-CD1 3.46Å; A490-I543 HydrophobicContact CB-CG2 3.78Å; A490-I543 WeakPolarHBondContact CB-O 3.3Å; A490-I543 PolarHBondContact N-O 3.13Å
491S81.6Confident86.7Confident107 Ų10757.2 Ų57.275%0.74829%0.293SS*.G310 helixtrans-73.7-16.2176.948.70000114.9T489T489-S491 PolarHBondContact O-N 3.14Å
492E82.7Confident87.1Confident76 Ų7653.2 Ų53.236%0.35527%0.272SS..G310 helixtrans-90.3-1.1178.4-67.6178.7-144.100112.7Y484 R486 P488 T489 A490Y484-E492 PolarHBondContact OH-O 3.32Å; R486-E492 IonicContact CZ-OE1 3.42Å; R486-E492 IonicContact CZ-OE2 2.74Å; R486-E492 IonicContact NH1-OE1 2.79Å; R486-E492 IonicContact NH2-OE1 3.83Å; R486-E492 PolarHBondContact NH2-OE1 2.92Å; R486-E492 IonicContact NH2-OE2 3.69Å; R486-E492 PolarHBondContact NH2-OE2 3.2Å; P488-E492 HydrophobicContact CB-CB 3.9Å; T489-E492 WeakPolarHBondContact O-CB 3.34Å; T489-E492 PolarHBondContact O-N 3.47Å; A490-E492 VanDerWaalsContact C-N 3.33Å; A490-E492 PolarHBondContact O-N 3.5Å
493L82Confident87.3Confident13 Ų1350.9 Ų50.97%0.06826%0.264CS..SBendtrans-129.3151.1-172.4-75.6-179.2000111.8I479 Y484 P488 E495 I498 I543I479-L493 HydrophobicContact CB-CD2 4.08Å; I479-L493 HydrophobicContact CD1-CD1 4.08Å; I479-L493 HydrophobicContact CG2-CD2 3.96Å; Y484-L493 HydrophobicContact CE2-CD2 3.85Å; P488-L493 HydrophobicContact CB-CD1 4.5Å; P488-L493 HydrophobicContact CB-CG 4.24Å; P488-L493 HydrophobicContact CG-CD1 3.62Å; P488-L493 HydrophobicContact CG-CD2 4.1Å; P488-L493 HydrophobicContact CG-CG 3.76Å; L493-E495 PolarHBondContact O-N 3.34Å; L493-I498 HydrophobicContact CB-CD1 3.49Å; L493-I498 VanDerWaalsContact CB-CD1 3.49Å; L493-I498 HydrophobicContact CB-CG1 3.66Å; L493-I498 HydrophobicContact CD1-CD1 4.4Å; L493-I498 HydrophobicContact CD1-CG1 4.1Å; L493-I543 HydrophobicContact CD1-CD1 4.11Å
494P81Confident87.5Confident36 Ų3648.1 Ų48.123%0.23425%0.251CS..  trans-65.8121.6176.4-21.534.1000112.2S496 I497 I498 E606P494-S496 VanDerWaalsContact C-N 3.32Å; P494-S496 PolarHBondContact O-N 2.9Å; P494-I497 HydrophobicContact CB-CB 4.42Å; P494-I497 HydrophobicContact CB-CD1 3.98Å; P494-I497 HydrophobicContact CB-CG1 4.19Å; P494-I497 HydrophobicContact CG-CD1 4.06Å; P494-I497 PolarHBondContact O-N 3.49Å; P494-I498 WeakPolarHBondContact O-CG1 3.32Å; P494-I498 PolarHBondContact O-N 3.41Å; P494-E606 WeakPolarHBondContact CG-O 3.37Å
495E82.6Confident87.6Confident120 Ų12047 Ų4756%0.56125%0.246SC*.Hα-helixtrans-59.4-37.6-169.1-176.8162-143.300113.9L493 I497 I498 N499 R545L493-E495 PolarHBondContact O-N 3.34Å; E495-I497 PolarHBondContact O-N 2.92Å; E495-I498 PolarHBondContact O-N 3.36Å; E495-N499 WeakPolarHBondContact O-CB 3.42Å; E495-N499 PolarHBondContact O-N 2.78Å; E495-N499 PolarHBondContact O-ND2 2.8Å; E495-N499 PolarHBondContact O-OD1 3.02Å; E495-R545 IonicContact OE1-CZ 2.89Å; E495-R545 IonicContact OE1-NH2 3.96Å; E495-R545 PolarHBondContact OE1-NH2 3.24Å
496S80.7Confident87.9Confident49 Ų4940.6 Ų40.634%0.34322%0.219SC..Hα-helixtrans-64.5-37.7176.855.20000113.3P494 N499 L500 N608P494-S496 VanDerWaalsContact C-N 3.32Å; P494-S496 PolarHBondContact O-N 2.9Å; S496-N499 PolarHBondContact O-N 2.91Å; S496-L500 PolarHBondContact O-N 3.25Å; S496-N608 VanDerWaalsContact CB-OD1 3.32Å; S496-N608 WeakPolarHBondContact CB-OD1 3.49Å; S496-N608 WeakPolarHBondContact OG-CB 3.25Å; S496-N608 PolarHBondContact OG-OD1 3.34Å
497I86.5Confident88Confident0 Ų033.8 Ų33.80%019%0.193CC..Hα-helixtrans-72.9-41.3177.6-59.1176.9000109.8I479 P494 E495 N499 L500 I501 M604 D605 N608I479-I497 HydrophobicContact CG2-CG2 3.83Å; P494-I497 HydrophobicContact CB-CB 4.42Å; P494-I497 HydrophobicContact CB-CD1 3.98Å; P494-I497 HydrophobicContact CB-CG1 4.19Å; P494-I497 HydrophobicContact CG-CD1 4.06Å; P494-I497 PolarHBondContact O-N 3.49Å; E495-I497 PolarHBondContact O-N 2.92Å; I497-N499 VanDerWaalsContact C-N 3.31Å; I497-N499 PolarHBondContact O-N 2.91Å; I497-L500 PolarHBondContact O-N 3.25Å; I497-I501 HydrophobicContact CG2-CD1 3.82Å; I497-I501 HydrophobicContact CG2-CG1 4.39Å; I497-I501 WeakPolarHBondContact O-CG1 3.39Å; I497-I501 PolarHBondContact O-N 3.48Å; I497-M604 HydrophobicContact CD1-CB 4.18Å; I497-D605 WeakPolarHBondContact CD1-O 3.4Å; I497-N608 HydrophobicContact CG1-CB 4.26Å; I497-N608 VanDerWaalsContact CG1-OD1 3.29Å; I497-N608 WeakPolarHBondContact CG1-OD1 3.33Å
498I88.2Confident88.1Confident3 Ų332 Ų322%0.01518%0.184CC..Hα-helixtrans-56.3-48.6172.1-62.1171000109.9A490 L493 P494 E495 L500 I501 V502 I543 R545A490-I498 HydrophobicContact CB-CD1 4.21Å; A490-I498 VanDerWaalsContact O-CD1 3.26Å; A490-I498 WeakPolarHBondContact O-CD1 3.46Å; L493-I498 HydrophobicContact CB-CD1 3.49Å; L493-I498 VanDerWaalsContact CB-CD1 3.49Å; L493-I498 HydrophobicContact CB-CG1 3.66Å; L493-I498 HydrophobicContact CD1-CD1 4.4Å; L493-I498 HydrophobicContact CD1-CG1 4.1Å; P494-I498 WeakPolarHBondContact O-CG1 3.32Å; P494-I498 PolarHBondContact O-N 3.41Å; E495-I498 PolarHBondContact O-N 3.36Å; I498-L500 VanDerWaalsContact C-N 3.31Å; I498-L500 PolarHBondContact O-N 2.94Å; I498-I501 PolarHBondContact O-N 3.24Å; I498-I501 VanDerWaalsContact O-N 3.15Å; I498-V502 HydrophobicContact CG2-CG2 3.65Å; I498-V502 VanDerWaalsContact O-CB 3.22Å; I498-V502 WeakPolarHBondContact O-CB 3.34Å; I498-V502 VanDerWaalsContact O-CG2 3.23Å; I498-V502 WeakPolarHBondContact O-CG2 3.21Å; I498-V502 PolarHBondContact O-N 3.18Å; I498-I543 HydrophobicContact CG2-CG2 4.12Å; I498-R545 HydrophobicContact CG2-CG 4.47Å
499N89.5Confident88.2Confident71 Ų7132.1 Ų32.138%0.3819%0.185SC..Hα-helixtrans-60.6-40.8-176.7-69.1-14.1000111.5E495 S496 I497 M503E495-N499 WeakPolarHBondContact O-CB 3.42Å; E495-N499 PolarHBondContact O-N 2.78Å; E495-N499 PolarHBondContact O-ND2 2.8Å; E495-N499 PolarHBondContact O-OD1 3.02Å; S496-N499 PolarHBondContact O-N 2.91Å; I497-N499 VanDerWaalsContact C-N 3.31Å; I497-N499 PolarHBondContact O-N 2.91Å; N499-M503 WeakPolarHBondContact O-CB 3.31Å; N499-M503 PolarHBondContact O-N 3.45Å
500L90.9Very high88.1Confident34 Ų3429.8 Ų29.818%0.17818%0.175CC..Hα-helixtrans-65.8-44172.9-72.8172.4000113S496 I497 I498 N504 Y641 L677S496-L500 PolarHBondContact O-N 3.25Å; I497-L500 PolarHBondContact O-N 3.25Å; I498-L500 VanDerWaalsContact C-N 3.31Å; I498-L500 PolarHBondContact O-N 2.94Å; L500-N504 WeakPolarHBondContact O-CB 3.1Å; L500-N504 PolarHBondContact O-N 3.47Å; L500-Y641 HydrophobicContact CD1-CE1 4.13Å; L500-L677 HydrophobicContact CB-CD1 4Å; L500-L677 HydrophobicContact CB-CD2 4.02Å; L500-L677 HydrophobicContact CD1-CD2 4.07Å
501I93.1Very high88.4Confident4 Ų430.1 Ų30.12%0.02117%0.171CC..Hα-helixtrans-64.5-45.4178.2-70.4172.4000111.1I479 I497 I498 N504 I505 F539 I639 L677I479-I501 HydrophobicContact CD1-CD1 3.71Å; I479-I501 HydrophobicContact CG1-CD1 3.98Å; I479-I501 HydrophobicContact CG2-CD1 3.94Å; I497-I501 HydrophobicContact CG2-CD1 3.82Å; I497-I501 HydrophobicContact CG2-CG1 4.39Å; I497-I501 WeakPolarHBondContact O-CG1 3.39Å; I497-I501 PolarHBondContact O-N 3.48Å; I498-I501 PolarHBondContact O-N 3.24Å; I498-I501 VanDerWaalsContact O-N 3.15Å; I501-N504 PolarHBondContact O-N 3.46Å; I501-I505 HydrophobicContact CG2-CD1 3.67Å; I501-I505 HydrophobicContact CG2-CG1 4.38Å; I501-I505 WeakPolarHBondContact O-CB 3.34Å; I501-I505 VanDerWaalsContact O-CG1 3.29Å; I501-I505 WeakPolarHBondContact O-CG1 3.49Å; I501-I505 PolarHBondContact O-N 2.95Å; I501-F539 HydrophobicContact CG2-CE1 4.07Å; I501-I639 HydrophobicContact CG2-CD1 4.42Å; I501-L677 HydrophobicContact CD1-CB 4.15Å; I501-L677 HydrophobicContact CG1-CB 3.68Å; I501-L677 HydrophobicContact CG1-CD1 4.08Å; I501-L677 HydrophobicContact CG1-CG 4.38Å
502V93.8Very high88.2Confident5 Ų530.2 Ų30.23%0.0317%0.167CC..Hα-helixtrans-66.6-41.7-179.2167.20000110.6I498 S506 V540 R545 I550I498-V502 HydrophobicContact CG2-CG2 3.65Å; I498-V502 VanDerWaalsContact O-CB 3.22Å; I498-V502 WeakPolarHBondContact O-CB 3.34Å; I498-V502 VanDerWaalsContact O-CG2 3.23Å; I498-V502 WeakPolarHBondContact O-CG2 3.21Å; I498-V502 PolarHBondContact O-N 3.18Å; V502-S506 VanDerWaalsContact O-CB 3.24Å; V502-S506 WeakPolarHBondContact O-CB 3.44Å; V502-S506 PolarHBondContact O-N 3.02Å; V502-S506 PolarHBondContact O-OG 2.95Å; V502-V540 HydrophobicContact CB-CG1 4.48Å; V502-V540 HydrophobicContact CB-CG2 4.49Å; V502-V540 HydrophobicContact CG1-CG1 3.73Å; V502-V540 HydrophobicContact CG1-CG2 4.43Å; V502-V540 HydrophobicContact CG2-CG1 4.18Å; V502-V540 HydrophobicContact CG2-CG2 4.2Å; V502-R545 HydrophobicContact CG1-CB 4.15Å; V502-R545 HydrophobicContact CG2-CB 4.37Å; V502-R545 HydrophobicContact CG2-CG 4.3Å; V502-I550 HydrophobicContact CG1-CD1 3.44Å; V502-I550 VanDerWaalsContact CG1-CD1 3.44Å
503M93.4Very high88.2Confident55 Ų5526.6 Ų26.627%0.27115%0.15SC..Hα-helixtrans-64.4-47.4174-170.7178-65.600111.4N499 S506 I507 I576 F588N499-M503 WeakPolarHBondContact O-CB 3.31Å; N499-M503 PolarHBondContact O-N 3.45Å; M503-S506 PolarHBondContact O-N 3.29Å; M503-I507 HydrophobicContact CG-CD1 3.56Å; M503-I507 HydrophobicContact CG-CG1 4.36Å; M503-I507 VanDerWaalsContact O-CB 3.31Å; M503-I507 WeakPolarHBondContact O-CB 3.45Å; M503-I507 WeakPolarHBondContact O-CG1 3.21Å; M503-I507 PolarHBondContact O-N 3.04Å; M503-I507 HydrophobicContact SD-CD1 4.43Å; M503-I576 HydrophobicContact SD-CD1 4.38Å; M503-F588 HydrophobicContact CB-CZ 4.15Å; M503-F588 HydrophobicContact CG-CE2 3.81Å; M503-F588 HydrophobicContact CG-CZ 3.75Å; M503-F588 HydrophobicContact SD-CE2 4.1Å; M503-F588 HydrophobicContact SD-CZ 3.79Å
504N95.2Very high88.3Confident0 Ų031.1 Ų31.10%017%0.169CC..Hα-helixtrans-55.5-55.9175.1-174.8-34000111.1L500 I501 S506 I507 N508 F588 T589 I639 A640L500-N504 WeakPolarHBondContact O-CB 3.1Å; L500-N504 PolarHBondContact O-N 3.47Å; I501-N504 PolarHBondContact O-N 3.46Å; N504-S506 VanDerWaalsContact C-N 3.32Å; N504-S506 PolarHBondContact O-N 3.45Å; N504-I507 PolarHBondContact O-N 2.82Å; N504-N508 WeakPolarHBondContact O-CA 3.43Å; N504-N508 WeakPolarHBondContact O-CB 3.42Å; N504-N508 PolarHBondContact O-N 3.43Å; N504-F588 HydrophobicContact CB-CB 4.19Å; N504-F588 HydrophobicContact CB-CD1 3.48Å; N504-F588 VanDerWaalsContact CB-CD1 3.48Å; N504-F588 HydrophobicContact CB-CE1 3.96Å; N504-F588 HydrophobicContact CB-CG 3.87Å; N504-T589 PolarHBondContact ND2-O 2.82Å; N504-I639 HydrophobicContact CB-CG2 4.17Å; N504-I639 VanDerWaalsContact ND2-CG2 3.33Å; N504-I639 WeakPolarHBondContact ND2-CG2 3.27Å; N504-A640 PolarHBondContact ND2-O 3.06Å
505I95.5Very high88.5Confident1 Ų129.8 Ų29.81%0.00516%0.16CC..Hα-helixtrans-58.9-42.6-178.9-70.8170.9000112I501 S509 L536 L537 F539 V540 I639 I680I501-I505 HydrophobicContact CG2-CD1 3.67Å; I501-I505 HydrophobicContact CG2-CG1 4.38Å; I501-I505 WeakPolarHBondContact O-CB 3.34Å; I501-I505 VanDerWaalsContact O-CG1 3.29Å; I501-I505 WeakPolarHBondContact O-CG1 3.49Å; I501-I505 PolarHBondContact O-N 2.95Å; I505-S509 VanDerWaalsContact O-CB 3.24Å; I505-S509 WeakPolarHBondContact O-CB 3.25Å; I505-S509 PolarHBondContact O-OG 2.95Å; I505-L536 HydrophobicContact CD1-CB 4.27Å; I505-L536 HydrophobicContact CG1-CB 4.24Å; I505-L536 VanDerWaalsContact CG2-C 3.49Å; I505-L536 HydrophobicContact CG2-CB 3.59Å; I505-L536 WeakPolarHBondContact CG2-O 3.49Å; I505-L537 HydrophobicContact CG2-CD2 4.14Å; I505-F539 HydrophobicContact CD1-CD1 3.85Å; I505-F539 HydrophobicContact CD1-CE1 4.4Å; I505-V540 HydrophobicContact CB-CG2 3.88Å; I505-V540 HydrophobicContact CD1-CG2 4.02Å; I505-V540 HydrophobicContact CG2-CG2 3.59Å; I505-I639 HydrophobicContact CD1-CD1 3.7Å; I505-I639 HydrophobicContact CG1-CD1 3.7Å; I505-I680 HydrophobicContact CD1-CD1 3.97Å
506S94.5Very high88.6Confident0 Ų028 Ų280%015%0.154CC..Hα-helixtrans-71.3-40.7-175-54.90000112.2V502 M503 N504 Y547 R551V502-S506 VanDerWaalsContact O-CB 3.24Å; V502-S506 WeakPolarHBondContact O-CB 3.44Å; V502-S506 PolarHBondContact O-N 3.02Å; V502-S506 PolarHBondContact O-OG 2.95Å; M503-S506 PolarHBondContact O-N 3.29Å; N504-S506 VanDerWaalsContact C-N 3.32Å; N504-S506 PolarHBondContact O-N 3.45Å; S506-Y547 WeakPolarHBondContact OG-CB 3.45Å; S506-R551 PolarHBondContact O-NE 3.5Å
507I93.5Very high88.6Confident2 Ų230.5 Ų30.51%0.0117%0.169CC..Hα-helixtrans-86.2-49.1-176.4-64.7-178.9000111.5M503 N504 S509 I550 W554 L559 T574 I576 F588M503-I507 HydrophobicContact CG-CD1 3.56Å; M503-I507 HydrophobicContact CG-CG1 4.36Å; M503-I507 VanDerWaalsContact O-CB 3.31Å; M503-I507 WeakPolarHBondContact O-CB 3.45Å; M503-I507 WeakPolarHBondContact O-CG1 3.21Å; M503-I507 PolarHBondContact O-N 3.04Å; M503-I507 HydrophobicContact SD-CD1 4.43Å; N504-I507 PolarHBondContact O-N 2.82Å; I507-S509 PolarHBondContact O-N 2.82Å; I507-I550 HydrophobicContact CD1-CG2 4.32Å; I507-I550 HydrophobicContact CG1-CG2 4.07Å; I507-W554 HydrophobicContact CD1-CB 4.04Å; I507-W554 HydrophobicContact CD1-CD2 4.08Å; I507-W554 HydrophobicContact CD1-CG 3.64Å; I507-W554 HydrophobicContact CG1-CB 4.24Å; I507-W554 HydrophobicContact CG1-CG 4.35Å; I507-L559 HydrophobicContact CG2-CD2 3.66Å; I507-T574 HydrophobicContact CG2-CG2 3.91Å; I507-I576 HydrophobicContact CD1-CD1 3.89Å; I507-I576 HydrophobicContact CD1-CG2 4.49Å; I507-I576 HydrophobicContact CG2-CG2 3.67Å; I507-F588 HydrophobicContact CD1-CE2 4.34Å
508N92.1Very high88.3Confident0 Ų032.6 Ų32.60%018%0.182CC..SBendtrans-80.242.2179.5-170.924.4000111.5N504 M572 T574 F588 T589 K590N504-N508 WeakPolarHBondContact O-CA 3.43Å; N504-N508 WeakPolarHBondContact O-CB 3.42Å; N504-N508 PolarHBondContact O-N 3.43Å; N508-M572 PolarHBondContact ND2-O 3.35Å; N508-T574 PolarHBondContact OD1-N 2.92Å; N508-T574 PolarHBondContact OD1-OG1 3.37Å; N508-T574 VanDerWaalsContact OD1-OG1 3.13Å; N508-F588 HydrophobicContact CB-CB 3.92Å; N508-F588 PolarHBondContact ND2-O 3.31Å; N508-F588 VanDerWaalsContact ND2-O 3.14Å; N508-T589 WeakPolarHBondContact ND2-CA 3.45Å; N508-K590 PolarHBondContact ND2-N 3.38Å; N508-K590 VanDerWaalsContact O-CD 3.27Å; N508-K590 WeakPolarHBondContact O-CD 3.44Å; N508-K590 WeakPolarHBondContact O-CE 3.46Å; N508-K590 PolarHBondContact O-NZ 3.14Å
509S89.9Confident87.5Confident3 Ų338 Ų382%0.02121%0.211CC..SBendtrans-142.9142.1172.8-65.40000110I505 I507 Y511 E533 R551 K590I505-S509 VanDerWaalsContact O-CB 3.24Å; I505-S509 WeakPolarHBondContact O-CB 3.25Å; I505-S509 PolarHBondContact O-OG 2.95Å; I507-S509 PolarHBondContact O-N 2.82Å; S509-Y511 PolarHBondContact O-N 2.52Å; S509-E533 VanDerWaalsContact CA-OE1 3.31Å; S509-E533 WeakPolarHBondContact CA-OE1 3.48Å; S509-R551 PolarHBondContact O-NH2 3.19Å; S509-K590 PolarHBondContact OG-NZ 3.34Å
510G83.7Confident86.7Confident21 Ų2140 Ų4022%0.21622%0.222CC..  trans-52.4134.2-177.900000112.6T512 S513 E533 R551G510-T512 PolarHBondContact O-N 3.32Å; G510-S513 WeakPolarHBondContact O-CA 3.44Å; G510-S513 VanDerWaalsContact O-CB 3.29Å; G510-S513 WeakPolarHBondContact O-CB 3.49Å; G510-S513 PolarHBondContact O-N 3.36Å; G510-E533 PolarHBondContact N-OE1 2.95Å; G510-E533 VanDerWaalsContact N-OE1 3.1Å; G510-E533 PolarHBondContact N-OE2 3.31Å; G510-R551 PolarHBondContact O-NH2 3.3Å
511Y85.3Confident85.6Confident32 Ų3244.3 Ų44.313%0.12525%0.252CS..THydrogen-bonded Turntrans-72.6-16.5-177.4-81.1-118.4000112.1S509 S513 K514 R551 W554 E556 L559S509-Y511 PolarHBondContact O-N 2.52Å; Y511-S513 VanDerWaalsContact C-N 3.33Å; Y511-K514 WeakPolarHBondContact O-CE 3.23Å; Y511-R551 HydrophobicContact CD1-CB 4.43Å; Y511-R551 HydrophobicContact CD1-CG 4.39Å; Y511-R551 HydrophobicContact CE1-CB 3.72Å; Y511-R551 HydrophobicContact CE1-CG 3.69Å; Y511-W554 WeakPolarHBondContact CE1-O 3.35Å; Y511-W554 PolarHBondContact OH-O 3.45Å; Y511-E556 HydrophobicContact CD1-CB 4.28Å; Y511-E556 HydrophobicContact CG-CB 4.26Å; Y511-L559 HydrophobicContact CE2-CD1 4.12Å
512T78.8Confident84.5Confident109 Ų10952.2 Ų52.267%0.66929%0.294SS*.THydrogen-bonded Turntrans-71-23.3165.153.40000113.4G510 K514G510-T512 PolarHBondContact O-N 3.32Å; T512-K514 PolarHBondContact O-N 2.74Å
513S82.4Confident83.4Confident1 Ų154 Ų541%0.00731%0.309CS..  trans-80.3115.8176.2-64.10000110.6G510 Y511 V528 N530 E533 L537 R551G510-S513 WeakPolarHBondContact O-CA 3.44Å; G510-S513 VanDerWaalsContact O-CB 3.29Å; G510-S513 WeakPolarHBondContact O-CB 3.49Å; G510-S513 PolarHBondContact O-N 3.36Å; Y511-S513 VanDerWaalsContact C-N 3.33Å; S513-V528 CarbonylContact C-O 3.16Å; S513-V528 WeakPolarHBondContact CA-O 3Å; S513-N530 PolarHBondContact OG-N 2.68Å; S513-E533 VanDerWaalsContact CB-OE2 3.29Å; S513-E533 WeakPolarHBondContact CB-OE2 3.43Å; S513-E533 PolarHBondContact OG-OE2 3.02Å; S513-L537 WeakPolarHBondContact O-CD1 3.39Å; S513-R551 PolarHBondContact O-NH1 3.12Å
514K83.7Confident82.4Confident108 Ų10854.3 Ų54.347%0.4731%0.312SS..EExtended strand (participates in β ladder)trans-143.1151.5-172.6-61.4-172.7-176.6-175.70112.4Y511 T512 V528Y511-K514 WeakPolarHBondContact O-CE 3.23Å; T512-K514 PolarHBondContact O-N 2.74Å; K514-V528 PolarHBondContact N-O 3.19Å; K514-V528 PolarHBondContact O-N 2.9Å
515L86.1Confident81.8Confident8 Ų856.6 Ų56.64%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-102.7103.6171.9-69.3-179.3000110.7P525 K526 Q527 C534 L537 G538 Y547L515-P525 HydrophobicContact CD2-CB 4.35Å; L515-P525 HydrophobicContact CD2-CG 4.22Å; L515-K526 CarbonylContact C-O 3.49Å; L515-K526 WeakPolarHBondContact CA-O 3.36Å; L515-Q527 HydrophobicContact CD2-CG 3.88Å; L515-C534 HydrophobicContact CD2-CB 3.89Å; L515-L537 HydrophobicContact CD1-CB 4.08Å; L515-L537 HydrophobicContact CG-CB 4.29Å; L515-G538 VanDerWaalsContact CD1-CA 3.48Å; L515-Y547 HydrophobicContact CB-CE1 4.27Å; L515-Y547 HydrophobicContact CD1-CE1 4.31Å; L515-Y547 HydrophobicContact CG-CE1 4.49Å; L515-Y547 PolarHBondContact N-OH 2.94Å; L515-Y547 VanDerWaalsContact N-OH 3.09Å
516L82.9Confident81Confident83 Ų8360.2 Ų60.244%0.43534%0.342SS..EExtended strand (participates in β ladder)trans-80149.5172.5-64.1-179.7000110.6P525 K526 V528L516-P525 WeakPolarHBondContact O-CB 3.25Å; L516-K526 HydrophobicContact CB-CB 3.78Å; L516-K526 PolarHBondContact N-O 3.14Å; L516-K526 PolarHBondContact O-N 3.47Å; L516-V528 HydrophobicContact CD1-CG2 3.6Å; L516-V528 HydrophobicContact CG-CG2 4.04Å
517P82.4Confident80.2Confident100 Ų10062 Ų6265%0.64935%0.351SS*.PPolyproline II helixtrans-57.5149.1174.824.1-33.5000111.5
518P79.7Confident79.4Confident44 Ų4465.3 Ų65.329%0.28637%0.371SS..PPolyproline II helixtrans-72.4152.7175.532.9-36.2000111.2N520 A523 L524P518-N520 WeakPolarHBondContact CB-O 3.47Å; P518-N520 WeakPolarHBondContact CG-O 3.44Å; P518-N520 PolarHBondContact O-N 2.87Å; P518-A523 HydrophobicContact CB-CB 4.08Å; P518-A523 VanDerWaalsContact CB-O 3.3Å; P518-A523 WeakPolarHBondContact CB-O 3.39Å; P518-L524 WeakPolarHBondContact CB-O 3.35Å
519D71.4Confident78.6Confident117 Ų11767.5 Ų67.563%0.62639%0.393SS*.SBendtrans-68-27175.1-57.9-44.6000112.5K526D519-K526 WeakPolarHBondContact OD1-CE 3.39Å; D519-K526 IonicContact OD1-NZ 3.14Å; D519-K526 PolarHBondContact OD1-NZ 3.3Å; D519-K526 WeakPolarHBondContact OD2-CE 3.22Å; D519-K526 IonicContact OD2-NZ 3.2Å; D519-K526 PolarHBondContact OD2-NZ 3.25Å
520N72.5Confident78.1Confident113 Ų11371.3 Ų71.360%0.60441%0.414SS*.SBendtrans-123.6138.9178.6-71.4-36.4000109.6P518 N522 A523P518-N520 WeakPolarHBondContact CB-O 3.47Å; P518-N520 WeakPolarHBondContact CG-O 3.44Å; P518-N520 PolarHBondContact O-N 2.87Å; N520-N522 PolarHBondContact O-N 3.34Å; N520-N522 VanDerWaalsContact O-N 3.07Å; N520-A523 HydrophobicContact CB-CB 4.25Å; N520-A523 PolarHBondContact O-N 3.4Å
521P67.8Low78Confident124 Ų12474 Ų7481%0.80542%0.419SS*.THydrogen-bonded Turntrans-55-33.5-173.8-28.434.8000115.5
522N69.5Low78Confident170 Ų17073.8 Ų73.891%0.90942%0.421SS*.THydrogen-bonded Turntrans-93.13.1-177.3-66.1-3.6000113.9N520N520-N522 PolarHBondContact O-N 3.34Å; N520-N522 VanDerWaalsContact O-N 3.07Å
523A71.4Confident78.5Confident42 Ų4269.2 Ų69.235%0.34739%0.392SS..SBendtrans-90.9152.717900000111.6P518 N520P518-A523 HydrophobicContact CB-CB 4.08Å; P518-A523 VanDerWaalsContact CB-O 3.3Å; P518-A523 WeakPolarHBondContact CB-O 3.39Å; N520-A523 HydrophobicContact CB-CB 4.25Å; N520-A523 PolarHBondContact O-N 3.4Å
524L72.4Confident78.9Confident63 Ų6369.1 Ų69.133%0.3339%0.392SS..PPolyproline II helixtrans-55.9149.2171.6-69.6173000110.9T469 R471 T473 P518 P685T469-L524 HydrophobicContact CG2-CD1 4.09Å; R471-L524 HydrophobicContact CB-CD1 4.25Å; R471-L524 PolarHBondContact NH1-O 3.07Å; T473-L524 HydrophobicContact CG2-CD1 4.33Å; T473-L524 HydrophobicContact CG2-CD2 4.03Å; P518-L524 WeakPolarHBondContact CB-O 3.35Å; L524-P685 HydrophobicContact CD1-CG 4.09Å
525P81.7Confident79.3Confident47 Ų4764 Ų6431%0.30537%0.37SS..PPolyproline II helixtrans-59.6152.7175.925.3-34.4000112L515 L516L515-P525 HydrophobicContact CD2-CB 4.35Å; L515-P525 HydrophobicContact CD2-CG 4.22Å; L516-P525 WeakPolarHBondContact O-CB 3.25Å
526K78.5Confident79.7Confident77 Ų7763.8 Ų63.834%0.33537%0.369SS..EExtended strand (participates in β ladder)trans-74.5132.6173.2-89.6174.8169.4170.20109.2L515 L516 D519L515-K526 CarbonylContact C-O 3.49Å; L515-K526 WeakPolarHBondContact CA-O 3.36Å; L516-K526 HydrophobicContact CB-CB 3.78Å; L516-K526 PolarHBondContact N-O 3.14Å; L516-K526 PolarHBondContact O-N 3.47Å; D519-K526 WeakPolarHBondContact OD1-CE 3.39Å; D519-K526 IonicContact OD1-NZ 3.14Å; D519-K526 PolarHBondContact OD1-NZ 3.3Å; D519-K526 WeakPolarHBondContact OD2-CE 3.22Å; D519-K526 IonicContact OD2-NZ 3.2Å; D519-K526 PolarHBondContact OD2-NZ 3.25Å
527Q79.6Confident80.2Confident39 Ų3959.8 Ų59.818%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-105.3124.3-179.1-60.7-169.2-2300109.9M472 L515 C534M472-Q527 PolarHBondContact O-NE2 3.32Å; L515-Q527 HydrophobicContact CD2-CG 3.88Å; Q527-C534 HydrophobicContact CB-CB 3.88Å; Q527-C534 HydrophobicContact CG-CB 3.73Å
528V75.3Confident80.7Confident70 Ų7056 Ų5642%0.42433%0.327SS..EExtended strand (participates in β ladder)trans-115.6139172.6-179.60000107.8S513 K514 L516 C534S513-V528 CarbonylContact C-O 3.16Å; S513-V528 WeakPolarHBondContact CA-O 3Å; K514-V528 PolarHBondContact N-O 3.19Å; K514-V528 PolarHBondContact O-N 2.9Å; L516-V528 HydrophobicContact CD1-CG2 3.6Å; L516-V528 HydrophobicContact CG-CG2 4.04Å; V528-C534 PolarHBondContact O-SG 3.35Å
529G74.8Confident81.4Confident46 Ų4654 Ų5447%0.47431%0.314SS..SBendtrans84.9-147.6-175.700000113.4K531G529-K531 PolarHBondContact O-N 2.93Å
530N79.5Confident82.5Confident83 Ų8348.4 Ų48.444%0.44428%0.284SS..  trans-77119.3-175.2-177.2-23.7000110.8S513 T532 E533 C534S513-N530 PolarHBondContact OG-N 2.68Å; N530-T532 VanDerWaalsContact C-N 3.28Å; N530-T532 PolarHBondContact O-N 3.09Å; N530-T532 VanDerWaalsContact OD1-CB 3.31Å; N530-T532 WeakPolarHBondContact OD1-CB 3.43Å; N530-T532 PolarHBondContact OD1-N 3.47Å; N530-T532 PolarHBondContact OD1-OG1 2.95Å; N530-E533 HydrophobicContact CB-CB 4.3Å; N530-E533 HydrophobicContact CB-CG 3.81Å; N530-E533 WeakPolarHBondContact O-CB 2.94Å; N530-E533 PolarHBondContact O-N 3.48Å; N530-C534 PolarHBondContact O-N 3.12Å; N530-C534 PolarHBondContact O-SG 2.89Å
531K81.7Confident83.4Confident77 Ų7748.4 Ų48.434%0.33528%0.279SS..Hα-helixtrans-60.7-34.1-177.1-56.1-168.6-179.4-166.20113.4N470 M472 G529 E533 C534 A535N470-K531 PolarHBondContact ND2-NZ 3.31Å; N470-K531 WeakPolarHBondContact O-CD 3.15Å; N470-K531 PolarHBondContact O-NZ 3.07Å; N470-K531 PolarHBondContact OD1-NZ 3.43Å; M472-K531 HydrophobicContact CB-CB 4.3Å; M472-K531 WeakPolarHBondContact CB-O 3.36Å; M472-K531 HydrophobicContact CG-CB 3.94Å; G529-K531 PolarHBondContact O-N 2.93Å; K531-E533 VanDerWaalsContact C-N 3.3Å; K531-E533 PolarHBondContact O-N 3.11Å; K531-C534 PolarHBondContact O-N 3.34Å; K531-A535 PolarHBondContact O-N 3.13Å
532T85.9Confident84.5Confident28 Ų2845.5 Ų45.517%0.17226%0.261CS..Hα-helixtrans-61.4-42.5175-53.40000110.4N530 A535 L536 I637 I682N530-T532 VanDerWaalsContact C-N 3.28Å; N530-T532 PolarHBondContact O-N 3.09Å; N530-T532 VanDerWaalsContact OD1-CB 3.31Å; N530-T532 WeakPolarHBondContact OD1-CB 3.43Å; N530-T532 PolarHBondContact OD1-N 3.47Å; N530-T532 PolarHBondContact OD1-OG1 2.95Å; T532-A535 WeakPolarHBondContact O-CB 3.33Å; T532-A535 PolarHBondContact O-N 3.35Å; T532-L536 WeakPolarHBondContact O-CG 3.38Å; T532-L536 PolarHBondContact O-N 3.1Å; T532-I637 HydrophobicContact CG2-CD1 3.97Å; T532-I637 HydrophobicContact CG2-CG1 4.34Å; T532-I682 HydrophobicContact CG2-CD1 3.78Å
533E89.8Confident85.5Confident13 Ų1337.6 Ų37.66%0.06122%0.219CC..Hα-helixtrans-70.7-41.5176.9-53.4-170.5126.400111.3S509 G510 S513 N530 K531 A535 L536 L537 K590S509-E533 VanDerWaalsContact CA-OE1 3.31Å; S509-E533 WeakPolarHBondContact CA-OE1 3.48Å; G510-E533 PolarHBondContact N-OE1 2.95Å; G510-E533 VanDerWaalsContact N-OE1 3.1Å; G510-E533 PolarHBondContact N-OE2 3.31Å; S513-E533 VanDerWaalsContact CB-OE2 3.29Å; S513-E533 WeakPolarHBondContact CB-OE2 3.43Å; S513-E533 PolarHBondContact OG-OE2 3.02Å; N530-E533 HydrophobicContact CB-CB 4.3Å; N530-E533 HydrophobicContact CB-CG 3.81Å; N530-E533 WeakPolarHBondContact O-CB 2.94Å; N530-E533 PolarHBondContact O-N 3.48Å; K531-E533 VanDerWaalsContact C-N 3.3Å; K531-E533 PolarHBondContact O-N 3.11Å; E533-A535 PolarHBondContact O-N 3.26Å; E533-L536 WeakPolarHBondContact O-CB 3.48Å; E533-L536 PolarHBondContact O-N 2.97Å; E533-L537 WeakPolarHBondContact O-CG 3.29Å; E533-L537 PolarHBondContact O-N 3.45Å; E533-K590 IonicContact OE1-NZ 2.75Å; E533-K590 PolarHBondContact OE1-NZ 2.77Å
534C90.2Very high86.2Confident0 Ų038.4 Ų38.40%023%0.232CC..Hα-helixtrans-59.1-34175-63.20000112.6L515 Q527 V528 N530 K531 G538L515-C534 HydrophobicContact CD2-CB 3.89Å; Q527-C534 HydrophobicContact CB-CB 3.88Å; Q527-C534 HydrophobicContact CG-CB 3.73Å; V528-C534 PolarHBondContact O-SG 3.35Å; N530-C534 PolarHBondContact O-N 3.12Å; N530-C534 PolarHBondContact O-SG 2.89Å; K531-C534 PolarHBondContact O-N 3.34Å; C534-G538 PolarHBondContact O-N 2.87Å
535A92Very high87Confident1 Ų139.5 Ų39.51%0.00823%0.231CC..Hα-helixtrans-64.3-40.217300000112.4M472 K531 T532 E533 G538 F539 I682M472-A535 HydrophobicContact CB-CB 3.71Å; M472-A535 WeakPolarHBondContact O-CA 3.37Å; M472-A535 VanDerWaalsContact O-CB 3.22Å; M472-A535 WeakPolarHBondContact O-CB 3.45Å; K531-A535 PolarHBondContact O-N 3.13Å; T532-A535 WeakPolarHBondContact O-CB 3.33Å; T532-A535 PolarHBondContact O-N 3.35Å; E533-A535 PolarHBondContact O-N 3.26Å; A535-G538 CarbonylContact O-C 3.42Å; A535-G538 PolarHBondContact O-N 2.85Å; A535-F539 PolarHBondContact O-N 2.97Å; A535-I682 HydrophobicContact CB-CB 4.2Å; A535-I682 HydrophobicContact CB-CD1 4.06Å; A535-I682 HydrophobicContact CB-CG2 3.94Å
536L94.6Very high87.5Confident2 Ų239.7 Ų39.71%0.0123%0.23CC..Hα-helixtrans-72-42.6177.3-59.3171.4000111.3I505 T532 E533 G538 F539 V540 K590 I637 I639 I680I505-L536 HydrophobicContact CD1-CB 4.27Å; I505-L536 HydrophobicContact CG1-CB 4.24Å; I505-L536 VanDerWaalsContact CG2-C 3.49Å; I505-L536 HydrophobicContact CG2-CB 3.59Å; I505-L536 WeakPolarHBondContact CG2-O 3.49Å; T532-L536 WeakPolarHBondContact O-CG 3.38Å; T532-L536 PolarHBondContact O-N 3.1Å; E533-L536 WeakPolarHBondContact O-CB 3.48Å; E533-L536 PolarHBondContact O-N 2.97Å; L536-G538 PolarHBondContact O-N 3.41Å; L536-F539 WeakPolarHBondContact O-CA 3.47Å; L536-F539 VanDerWaalsContact O-CB 3.27Å; L536-F539 WeakPolarHBondContact O-CB 3.37Å; L536-F539 PolarHBondContact O-N 3.35Å; L536-F539 VanDerWaalsContact O-N 3.08Å; L536-V540 PolarHBondContact O-N 2.99Å; L536-K590 HydrophobicContact CD1-CD 4.08Å; L536-I637 HydrophobicContact CD1-CG2 4.29Å; L536-I637 HydrophobicContact CD2-CG2 4.4Å; L536-I639 HydrophobicContact CD2-CD1 4.39Å; L536-I680 HydrophobicContact CD2-CB 4.25Å; L536-I680 HydrophobicContact CD2-CD1 3.93Å; L536-I680 HydrophobicContact CD2-CG2 4.3Å
537L94.5Very high88.1Confident0 Ų036.1 Ų36.10%021%0.214CC..Hα-helixtrans-60.4-32.6170.6-61.8173.6000111I505 S513 L515 E533 V540 K541 Y547I505-L537 HydrophobicContact CG2-CD2 4.14Å; S513-L537 WeakPolarHBondContact O-CD1 3.39Å; L515-L537 HydrophobicContact CD1-CB 4.08Å; L515-L537 HydrophobicContact CG-CB 4.29Å; E533-L537 WeakPolarHBondContact O-CG 3.29Å; E533-L537 PolarHBondContact O-N 3.45Å; L537-V540 PolarHBondContact O-N 3.32Å; L537-K541 PolarHBondContact O-N 3.06Å; L537-K541 VanDerWaalsContact O-N 3.11Å; L537-Y547 HydrophobicContact CB-CD1 3.98Å; L537-Y547 HydrophobicContact CB-CE1 4.1Å; L537-Y547 HydrophobicContact CB-CG 4.37Å; L537-Y547 HydrophobicContact CD1-CD2 4.49Å; L537-Y547 HydrophobicContact CD1-CE2 4.33Å; L537-Y547 HydrophobicContact CD2-CD1 4.2Å; L537-Y547 HydrophobicContact CD2-CD2 3.82Å; L537-Y547 HydrophobicContact CD2-CE2 4.45Å; L537-Y547 HydrophobicContact CD2-CG 3.71Å
538G92.9Very high88.6Confident21 Ų2138.2 Ų38.222%0.21622%0.224CC..Hα-helixtrans-68.8-37.3173.600000112.8L515 C534 A535 L536 K541 S542L515-G538 VanDerWaalsContact CD1-CA 3.48Å; C534-G538 PolarHBondContact O-N 2.87Å; A535-G538 CarbonylContact O-C 3.42Å; A535-G538 PolarHBondContact O-N 2.85Å; L536-G538 PolarHBondContact O-N 3.41Å; G538-K541 PolarHBondContact O-N 3.38Å; G538-S542 WeakPolarHBondContact O-CB 3.13Å; G538-S542 PolarHBondContact O-N 2.75Å; G538-S542 PolarHBondContact O-OG 2.76Å
539F94.3Very high89.3Confident0 Ų039.8 Ų39.80%023%0.23CC..Hα-helixtrans-61.1-46.5171.4177.5-96.6000111.7A474 C477 I479 I487 I501 I505 A535 L536 K541 S542 I543 I680A474-F539 HydrophobicContact CB-CB 3.81Å; A474-F539 HydrophobicContact CB-CD2 3.83Å; A474-F539 HydrophobicContact CB-CG 4.27Å; C477-F539 HydrophobicContact CB-CE2 3.87Å; C477-F539 HydrophobicContact CB-CZ 4.15Å; I479-F539 HydrophobicContact CD1-CE1 4.34Å; I479-F539 HydrophobicContact CD1-CZ 3.71Å; I487-F539 HydrophobicContact CD1-CD2 3.87Å; I487-F539 HydrophobicContact CG1-CD2 4.1Å; I487-F539 HydrophobicContact CG1-CE2 4.36Å; I487-F539 HydrophobicContact CG2-CD2 4.22Å; I487-F539 HydrophobicContact CG2-CE2 4.19Å; I501-F539 HydrophobicContact CG2-CE1 4.07Å; I505-F539 HydrophobicContact CD1-CD1 3.85Å; I505-F539 HydrophobicContact CD1-CE1 4.4Å; A535-F539 PolarHBondContact O-N 2.97Å; L536-F539 WeakPolarHBondContact O-CA 3.47Å; L536-F539 VanDerWaalsContact O-CB 3.27Å; L536-F539 WeakPolarHBondContact O-CB 3.37Å; L536-F539 PolarHBondContact O-N 3.35Å; L536-F539 VanDerWaalsContact O-N 3.08Å; F539-K541 VanDerWaalsContact C-N 3.32Å; F539-K541 PolarHBondContact O-N 2.83Å; F539-S542 WeakPolarHBondContact CA-OG 3.22Å; F539-S542 PolarHBondContact O-N 3.11Å; F539-S542 PolarHBondContact O-OG 3.45Å; F539-I543 HydrophobicContact CD1-CD1 3.92Å; F539-I543 HydrophobicContact CE1-CD1 3.29Å; F539-I543 HydrophobicContact CE1-CG1 4.42Å; F539-I543 HydrophobicContact CE2-CD1 4.06Å; F539-I543 HydrophobicContact CZ-CD1 3.38Å; F539-I543 HydrophobicContact CZ-CG1 4.35Å; F539-I543 PolarHBondContact O-N 3.38Å; F539-I680 HydrophobicContact CB-CD1 4.5Å; F539-I680 HydrophobicContact CD1-CD1 3.47Å; F539-I680 VanDerWaalsContact CD1-CD1 3.47Å; F539-I680 HydrophobicContact CD2-CD1 4.07Å; F539-I680 HydrophobicContact CD2-CG2 4.21Å; F539-I680 HydrophobicContact CE1-CD1 3.48Å; F539-I680 VanDerWaalsContact CE1-CD1 3.48Å; F539-I680 HydrophobicContact CE1-CG1 4.49Å; F539-I680 HydrophobicContact CE2-CD1 4.1Å; F539-I680 HydrophobicContact CG-CD1 3.77Å; F539-I680 HydrophobicContact CZ-CD1 3.8Å; F539-I680 HydrophobicContact CZ-CG1 4.38Å
540V94.1Very high90.1Very high0 Ų039 Ų390%022%0.215CC..Hα-helixtrans-56.1-47.3174.2173.50000111.2V502 I505 L536 L537 S542 I543 G544 R545V502-V540 HydrophobicContact CB-CG1 4.48Å; V502-V540 HydrophobicContact CB-CG2 4.49Å; V502-V540 HydrophobicContact CG1-CG1 3.73Å; V502-V540 HydrophobicContact CG1-CG2 4.43Å; V502-V540 HydrophobicContact CG2-CG1 4.18Å; V502-V540 HydrophobicContact CG2-CG2 4.2Å; I505-V540 HydrophobicContact CB-CG2 3.88Å; I505-V540 HydrophobicContact CD1-CG2 4.02Å; I505-V540 HydrophobicContact CG2-CG2 3.59Å; L536-V540 PolarHBondContact O-N 2.99Å; L537-V540 PolarHBondContact O-N 3.32Å; V540-S542 PolarHBondContact O-N 2.92Å; V540-I543 PolarHBondContact O-N 3.31Å; V540-G544 PolarHBondContact O-N 3.27Å; V540-R545 CarbonylContact C-O 3.6Å; V540-R545 HydrophobicContact CG1-CB 4.04Å; V540-R545 PolarHBondContact O-N 3.05Å; V540-R545 VanDerWaalsContact O-O 3.14Å
541K91.3Very high90.5Very high114 Ų11436.1 Ų36.150%0.49620%0.197SC..Hα-helixtrans-67.8-33.2-179.4-164.9162.1-173.6161.40113.5L537 G538 F539 G544 R545L537-K541 PolarHBondContact O-N 3.06Å; L537-K541 VanDerWaalsContact O-N 3.11Å; G538-K541 PolarHBondContact O-N 3.38Å; F539-K541 VanDerWaalsContact C-N 3.32Å; F539-K541 PolarHBondContact O-N 2.83Å; K541-G544 PolarHBondContact O-N 3.32Å; K541-R545 WeakPolarHBondContact CA-O 3.29Å
542S90Very high90.8Very high63 Ų6338.1 Ų38.144%0.44122%0.216SC..Hα-helixtrans-81.6-21.6178.644.20000114.2I487 G538 F539 V540I487-S542 WeakPolarHBondContact CD1-OG 3.46Å; G538-S542 WeakPolarHBondContact O-CB 3.13Å; G538-S542 PolarHBondContact O-N 2.75Å; G538-S542 PolarHBondContact O-OG 2.76Å; F539-S542 WeakPolarHBondContact CA-OG 3.22Å; F539-S542 PolarHBondContact O-N 3.11Å; F539-S542 PolarHBondContact O-OG 3.45Å; V540-S542 PolarHBondContact O-N 2.92Å
543I90.2Very high90.8Very high4 Ų442 Ų422%0.02123%0.232CC..Hα-helixtrans-68.1-26164.5-79177.1000111.8I487 A490 L493 I498 F539 V540 R545I487-I543 HydrophobicContact CG2-CG1 4.09Å; A490-I543 HydrophobicContact CB-CG2 3.78Å; A490-I543 WeakPolarHBondContact CB-O 3.3Å; A490-I543 PolarHBondContact N-O 3.13Å; L493-I543 HydrophobicContact CD1-CD1 4.11Å; I498-I543 HydrophobicContact CG2-CG2 4.12Å; F539-I543 HydrophobicContact CD1-CD1 3.92Å; F539-I543 HydrophobicContact CE1-CD1 3.29Å; F539-I543 HydrophobicContact CE1-CG1 4.42Å; F539-I543 HydrophobicContact CE2-CD1 4.06Å; F539-I543 HydrophobicContact CZ-CD1 3.38Å; F539-I543 HydrophobicContact CZ-CG1 4.35Å; F539-I543 PolarHBondContact O-N 3.38Å; V540-I543 PolarHBondContact O-N 3.31Å; I543-R545 HydrophobicContact CG2-CG 4.45Å
544G87.6Confident90.6Very high59 Ų5942.2 Ų42.261%0.60823%0.233SC*.THydrogen-bonded Turntrans103.822.4-178.700000114.6V540 K541V540-G544 PolarHBondContact O-N 3.27Å; K541-G544 PolarHBondContact O-N 3.32Å
545R89.6Confident90.3Very high86 Ų8644.2 Ų44.233%0.32525%0.247SC..  trans-111.2156.3171.6-62-62.7-156.3-159.82.8110.4E495 I498 V502 V540 K541 I543E495-R545 IonicContact OE1-CZ 2.89Å; E495-R545 IonicContact OE1-NH2 3.96Å; E495-R545 PolarHBondContact OE1-NH2 3.24Å; I498-R545 HydrophobicContact CG2-CG 4.47Å; V502-R545 HydrophobicContact CG1-CB 4.15Å; V502-R545 HydrophobicContact CG2-CB 4.37Å; V502-R545 HydrophobicContact CG2-CG 4.3Å; V540-R545 CarbonylContact C-O 3.6Å; V540-R545 HydrophobicContact CG1-CB 4.04Å; V540-R545 PolarHBondContact O-N 3.05Å; V540-R545 VanDerWaalsContact O-O 3.14Å; K541-R545 WeakPolarHBondContact CA-O 3.29Å; I543-R545 HydrophobicContact CG2-CG 4.45Å
546N91Very high89.8Confident51 Ų5150 Ų5027%0.27327%0.274SS..  trans-101.8128.5174.8-17012.9000110.9E548 D549N546-E548 PolarHBondContact OD1-N 2.88Å; N546-E548 VanDerWaalsContact OD1-N 3.13Å; N546-D549 WeakPolarHBondContact CB-OD2 3.09Å; N546-D549 VanDerWaalsContact ND2-CG 3.34Å; N546-D549 PolarHBondContact ND2-OD1 2.99Å; N546-D549 PolarHBondContact ND2-OD2 3.43Å
547Y92.2Very high89Confident2 Ų258.9 Ų58.91%0.00832%0.315CS..Hα-helixtrans-80.4-20.2176.169-96.8000112.3S506 L515 L537 R551S506-Y547 WeakPolarHBondContact OG-CB 3.45Å; L515-Y547 HydrophobicContact CB-CE1 4.27Å; L515-Y547 HydrophobicContact CD1-CE1 4.31Å; L515-Y547 HydrophobicContact CG-CE1 4.49Å; L515-Y547 PolarHBondContact N-OH 2.94Å; L515-Y547 VanDerWaalsContact N-OH 3.09Å; L537-Y547 HydrophobicContact CB-CD1 3.98Å; L537-Y547 HydrophobicContact CB-CE1 4.1Å; L537-Y547 HydrophobicContact CB-CG 4.37Å; L537-Y547 HydrophobicContact CD1-CD2 4.49Å; L537-Y547 HydrophobicContact CD1-CE2 4.33Å; L537-Y547 HydrophobicContact CD2-CD1 4.2Å; L537-Y547 HydrophobicContact CD2-CD2 3.82Å; L537-Y547 HydrophobicContact CD2-CE2 4.45Å; L537-Y547 HydrophobicContact CD2-CG 3.71Å; Y547-R551 WeakPolarHBondContact O-CG 3.18Å; Y547-R551 PolarHBondContact O-N 3.4Å; Y547-R551 VanDerWaalsContact O-N 3.15Å
548E89.8Confident88.5Confident82 Ų8266 Ų6638%0.38334%0.342SS..Hα-helixtrans-72.8-41.9-175.4-65.6173.217100110.8N546 I550 R551 T552N546-E548 PolarHBondContact OD1-N 2.88Å; N546-E548 VanDerWaalsContact OD1-N 3.13Å; E548-I550 VanDerWaalsContact C-N 3.27Å; E548-I550 PolarHBondContact O-N 2.88Å; E548-R551 CarbonylContact O-C 3.45Å; E548-R551 PolarHBondContact O-N 2.91Å; E548-R551 VanDerWaalsContact O-N 3.09Å; E548-T552 PolarHBondContact O-N 3.29Å; E548-T552 PolarHBondContact O-OG1 2.94Å; E548-T552 VanDerWaalsContact O-OG1 3.06Å
549D90.4Very high88.2Confident104 Ų10466.3 Ų66.356%0.55634%0.339SS*.Hα-helixtrans-56.3-42.2175.7-51.8-16.2000111.6N546 T552 Q553N546-D549 WeakPolarHBondContact CB-OD2 3.09Å; N546-D549 VanDerWaalsContact ND2-CG 3.34Å; N546-D549 PolarHBondContact ND2-OD1 2.99Å; N546-D549 PolarHBondContact ND2-OD2 3.43Å; D549-T552 WeakPolarHBondContact O-CB 3.45Å; D549-T552 PolarHBondContact O-N 3.26Å; D549-Q553 PolarHBondContact O-N 3.13Å
550I90.1Very high87.9Confident30 Ų3070.4 Ų70.415%0.15436%0.355CS..Hα-helixtrans-68.3-40.6178.2-61.7175.5000111.1V502 I507 E548 T552 Q553 W554V502-I550 HydrophobicContact CG1-CD1 3.44Å; V502-I550 VanDerWaalsContact CG1-CD1 3.44Å; I507-I550 HydrophobicContact CD1-CG2 4.32Å; I507-I550 HydrophobicContact CG1-CG2 4.07Å; E548-I550 VanDerWaalsContact C-N 3.27Å; E548-I550 PolarHBondContact O-N 2.88Å; I550-T552 VanDerWaalsContact C-N 3.28Å; I550-T552 PolarHBondContact O-N 3.23Å; I550-Q553 PolarHBondContact O-N 2.86Å; I550-W554 WeakPolarHBondContact O-CB 3.39Å; I550-W554 PolarHBondContact O-N 3.34Å
551R89.1Confident87.7Confident21 Ų2173.4 Ų73.48%0.07937%0.368CS..Hα-helixtrans-71.1-21.4175-73.3-177.2168.4-173.1-18.5113.4S506 S509 G510 Y511 S513 Y547 E548 W554S506-R551 PolarHBondContact O-NE 3.5Å; S509-R551 PolarHBondContact O-NH2 3.19Å; G510-R551 PolarHBondContact O-NH2 3.3Å; Y511-R551 HydrophobicContact CD1-CB 4.43Å; Y511-R551 HydrophobicContact CD1-CG 4.39Å; Y511-R551 HydrophobicContact CE1-CB 3.72Å; Y511-R551 HydrophobicContact CE1-CG 3.69Å; S513-R551 PolarHBondContact O-NH1 3.12Å; Y547-R551 WeakPolarHBondContact O-CG 3.18Å; Y547-R551 PolarHBondContact O-N 3.4Å; Y547-R551 VanDerWaalsContact O-N 3.15Å; E548-R551 CarbonylContact O-C 3.45Å; E548-R551 PolarHBondContact O-N 2.91Å; E548-R551 VanDerWaalsContact O-N 3.09Å; R551-W554 CarbonylContact O-C 3.28Å
552T87.2Confident87.5Confident119 Ų11970.9 Ų70.973%0.7336%0.362SS*.Hα-helixtrans-75.2-39169.5-58.10000111E548 D549 I550E548-T552 PolarHBondContact O-N 3.29Å; E548-T552 PolarHBondContact O-OG1 2.94Å; E548-T552 VanDerWaalsContact O-OG1 3.06Å; D549-T552 WeakPolarHBondContact O-CB 3.45Å; D549-T552 PolarHBondContact O-N 3.26Å; I550-T552 VanDerWaalsContact C-N 3.28Å; I550-T552 PolarHBondContact O-N 3.23Å
553Q86.2Confident87.4Confident109 Ų10968.6 Ų68.651%0.50934%0.343SS..Hα-helixtrans-68.9-39.4173.6-173.1-178.49.400112.4D549 I550 R558D549-Q553 PolarHBondContact O-N 3.13Å; I550-Q553 PolarHBondContact O-N 2.86Å; Q553-R558 PolarHBondContact O-NH1 3.43Å
554W85.2Confident87.3Confident18 Ų1873 Ų737%0.06837%0.371CS..SBendtrans-111.885178.2-65.193000109.7I507 Y511 I550 R551 R558 I576 K577 S579I507-W554 HydrophobicContact CD1-CB 4.04Å; I507-W554 HydrophobicContact CD1-CD2 4.08Å; I507-W554 HydrophobicContact CD1-CG 3.64Å; I507-W554 HydrophobicContact CG1-CB 4.24Å; I507-W554 HydrophobicContact CG1-CG 4.35Å; Y511-W554 WeakPolarHBondContact CE1-O 3.35Å; Y511-W554 PolarHBondContact OH-O 3.45Å; I550-W554 WeakPolarHBondContact O-CB 3.39Å; I550-W554 PolarHBondContact O-N 3.34Å; R551-W554 CarbonylContact O-C 3.28Å; W554-R558 HydrophobicContact CE3-CB 4.28Å; W554-I576 HydrophobicContact CD2-CD1 4.42Å; W554-I576 HydrophobicContact CE3-CB 4.27Å; W554-I576 HydrophobicContact CE3-CD1 4.39Å; W554-I576 HydrophobicContact CE3-CG2 4.23Å; W554-I576 HydrophobicContact CH2-CB 4.49Å; W554-I576 HydrophobicContact CH2-CD1 4.06Å; W554-I576 HydrophobicContact CZ2-CD1 4.06Å; W554-I576 HydrophobicContact CZ3-CB 3.97Å; W554-I576 HydrophobicContact CZ3-CD1 4.22Å; W554-I576 HydrophobicContact CZ3-CG2 4.43Å; W554-K577 WeakPolarHBondContact CH2-O 3.41Å; W554-S579 WeakPolarHBondContact CH2-OG 3.33Å; W554-S579 VanDerWaalsContact CZ2-OG 3.24Å; W554-S579 WeakPolarHBondContact CZ2-OG 3.33Å
555S83.9Confident87.1Confident42 Ų4275.8 Ų75.829%0.29437%0.366SS..  trans-65.7157.9171.858.40000111.6E557 R558S555-E557 PolarHBondContact O-N 3.18Å; S555-E557 VanDerWaalsContact O-N 3.15Å; S555-R558 WeakPolarHBondContact O-CB 3.29Å; S555-R558 PolarHBondContact O-N 3Å
556E80.7Confident86.6Confident124 Ų12474.6 Ų74.658%0.57937%0.366SS*.G310 helixtrans-56.7-31.2179.7-170.5165-163.900112.7Y511 R558 L559Y511-E556 HydrophobicContact CD1-CB 4.28Å; Y511-E556 HydrophobicContact CG-CB 4.26Å; E556-R558 VanDerWaalsContact C-N 3.25Å; E556-R558 PolarHBondContact O-N 3.12Å; E556-L559 HydrophobicContact CG-CD1 4.34Å; E556-L559 WeakPolarHBondContact O-CB 3.36Å; E556-L559 WeakPolarHBondContact O-CG 3.3Å; E556-L559 PolarHBondContact O-N 2.92Å
557E77.9Confident85.8Confident187 Ų18776.7 Ų76.787%0.87439%0.385SS*.G310 helixtrans-68.6-16.5174.8-59.5178.1178.600114.4S555S555-E557 PolarHBondContact O-N 3.18Å; S555-E557 VanDerWaalsContact O-N 3.15Å
558R84.6Confident85Confident150 Ų15083.6 Ų83.657%0.56642%0.421SS*.G310 helixtrans-90.2-5.5176.6-68.2178.4171.6-162.7-9.1113.1Q553 W554 S555 E556 Y560Q553-R558 PolarHBondContact O-NH1 3.43Å; W554-R558 HydrophobicContact CE3-CB 4.28Å; S555-R558 WeakPolarHBondContact O-CB 3.29Å; S555-R558 PolarHBondContact O-N 3Å; E556-R558 VanDerWaalsContact C-N 3.25Å; E556-R558 PolarHBondContact O-N 3.12Å; R558-Y560 PolarHBondContact O-N 2.93Å
559L86.6Confident84.6Confident28 Ų2882.1 Ų82.115%0.14741%0.412CS..  trans-73.3125.1176.4-53.3-177.3000109I507 Y511 E556 V562 T574 I576I507-L559 HydrophobicContact CG2-CD2 3.66Å; Y511-L559 HydrophobicContact CE2-CD1 4.12Å; E556-L559 HydrophobicContact CG-CD1 4.34Å; E556-L559 WeakPolarHBondContact O-CB 3.36Å; E556-L559 WeakPolarHBondContact O-CG 3.3Å; E556-L559 PolarHBondContact O-N 2.92Å; L559-V562 HydrophobicContact CB-CG2 4.04Å; L559-V562 HydrophobicContact CD1-CG2 3.85Å; L559-T574 HydrophobicContact CB-CG2 4.45Å; L559-T574 HydrophobicContact CD1-CG2 4.29Å; L559-T574 HydrophobicContact CD2-CG2 3.94Å; L559-T574 HydrophobicContact CG-CG2 4.45Å; L559-I576 HydrophobicContact CD2-CG2 3.89Å
560Y88Confident84.5Confident86 Ų8681 Ų8134%0.33740%0.402SS..SBendtrans-78.6-43.1-173.2-177.4-79.8000111.5R558 V575 F585 E661 W664R558-Y560 PolarHBondContact O-N 2.93Å; Y560-V575 HydrophobicContact CD1-CG1 4.11Å; Y560-V575 HydrophobicContact CG-CG1 4.46Å; Y560-V575 PolarHBondContact N-O 3.29Å; Y560-F585 HydrophobicContact CD1-CE1 4.35Å; Y560-F585 AromaticContact CD2-CE1 3.83Å; Y560-F585 HydrophobicContact CD2-CE1 3.83Å; Y560-F585 HydrophobicContact CE1-CE1 4.32Å; Y560-F585 AromaticContact CE2-CE1 3.74Å; Y560-F585 HydrophobicContact CE2-CE1 3.74Å; Y560-F585 HydrophobicContact CE2-CZ 4.36Å; Y560-F585 HydrophobicContact CG-CD1 4.49Å; Y560-F585 HydrophobicContact CG-CE1 4.13Å; Y560-E661 PolarHBondContact OH-OE2 2.9Å; Y560-W664 HydrophobicContact CD1-CD2 4.47Å; Y560-W664 HydrophobicContact CD1-CZ2 4.37Å; Y560-W664 AromaticContact CE1-CD1 3.72Å; Y560-W664 AromaticContact CE1-CD2 3.86Å; Y560-W664 HydrophobicContact CE1-CD2 3.86Å; Y560-W664 AromaticContact CE1-CE2 3.41Å; Y560-W664 VanDerWaalsContact CE1-CE2 3.41Å; Y560-W664 HydrophobicContact CE1-CG 4.03Å; Y560-W664 AromaticContact CE1-CZ2 3.84Å; Y560-W664 HydrophobicContact CE1-CZ2 3.84Å; Y560-W664 AromaticContact CE1-NE1 3.32Å; Y560-W664 VanDerWaalsContact CE1-NE1 3.32Å; Y560-W664 AromaticContact CZ-CE2 4Å; Y560-W664 AromaticContact CZ-NE1 3.6Å; Y560-W664 PolarHBondContact OH-NE1 2.95Å
561K89.7Confident84.6Confident63 Ų6380 Ų8027%0.27440%0.397SS..EExtended strand (participates in β ladder)trans-150.9138.1174.3-172.783.9167.6-159.50109Y563 V575 W664 D665K561-Y563 HydrophobicContact CG-CD2 4.45Å; K561-Y563 HydrophobicContact CG-CE1 4.08Å; K561-Y563 HydrophobicContact CG-CE2 3.9Å; K561-V575 HydrophobicContact CB-CB 4.13Å; K561-V575 HydrophobicContact CB-CG2 4.15Å; K561-V575 PolarHBondContact N-O 2.93Å; K561-V575 PolarHBondContact O-N 2.97Å; K561-W664 HydrophobicContact CD-CB 4.36Å; K561-W664 VanDerWaalsContact CE-O 3.29Å; K561-W664 WeakPolarHBondContact CE-O 3.29Å; K561-W664 PolarHBondContact NZ-O 2.77Å; K561-D665 IonicContact NZ-OD1 2.8Å; K561-D665 PolarHBondContact NZ-OD1 2.72Å
562V87.8Confident84.7Confident61 Ų6180.1 Ų80.137%0.3740%0.399SS..EExtended strand (participates in β ladder)trans-122.1114.9174.6-1790000109.2L559 T564 M572 T574L559-V562 HydrophobicContact CB-CG2 4.04Å; L559-V562 HydrophobicContact CD1-CG2 3.85Å; V562-T564 PolarHBondContact O-N 3.28Å; V562-M572 HydrophobicContact CG1-CE 4.24Å; V562-T574 HydrophobicContact CG2-CG2 4.14Å
563Y88.5Confident85Confident15 Ų1574.4 Ų74.46%0.05936%0.364CS..EExtended strand (participates in β ladder)trans-89.3100.1169.1-54.4-80.8000108.1K561 M572 S573 V575 L587 W664 E667 L670K561-Y563 HydrophobicContact CG-CD2 4.45Å; K561-Y563 HydrophobicContact CG-CE1 4.08Å; K561-Y563 HydrophobicContact CG-CE2 3.9Å; Y563-M572 WeakPolarHBondContact O-CA 3.24Å; Y563-M572 WeakPolarHBondContact O-CG 3.3Å; Y563-S573 WeakPolarHBondContact CA-O 3.28Å; Y563-S573 WeakPolarHBondContact CB-O 3.38Å; Y563-S573 PolarHBondContact N-O 3.44Å; Y563-S573 PolarHBondContact O-N 2.99Å; Y563-V575 HydrophobicContact CE2-CG2 3.99Å; Y563-L587 HydrophobicContact CE2-CD1 4.31Å; Y563-W664 WeakPolarHBondContact CE1-O 3.33Å; Y563-W664 PolarHBondContact OH-O 2.91Å; Y563-E667 WeakPolarHBondContact CB-OE1 3.36Å; Y563-E667 HydrophobicContact CD1-CB 4.06Å; Y563-E667 HydrophobicContact CD1-CG 3.53Å; Y563-E667 WeakPolarHBondContact CD1-OE2 3.46Å; Y563-E667 HydrophobicContact CD2-CG 4.38Å; Y563-E667 HydrophobicContact CE1-CB 3.82Å; Y563-E667 HydrophobicContact CE1-CG 3.67Å; Y563-E667 HydrophobicContact CE2-CG 4.49Å; Y563-E667 HydrophobicContact CG-CG 3.91Å; Y563-L670 WeakPolarHBondContact OH-CD1 3.48Å
564T86.4Confident85.4Confident96 Ų9669.3 Ų69.359%0.58934%0.34SS*.EExtended strand (participates in β ladder)trans-59.4163.4179.754.50000111.8V562 N566 R569V562-T564 PolarHBondContact O-N 3.28Å; T564-N566 PolarHBondContact O-N 2.88Å; T564-R569 PolarHBondContact O-NH2 3.23Å
565F83.8Confident85.8Confident117 Ų11768.5 Ų68.551%0.51334%0.337SS..EExtended strand (participates in β ladder)trans-61.6125.1177.6177.1-88.8000111K570 M572F565-K570 VanDerWaalsContact CE2-C 3.45Å; F565-K570 HydrophobicContact CE2-CB 4.36Å; F565-K570 HydrophobicContact CZ-CB 4.44Å; F565-M572 HydrophobicContact CB-CB 4.4Å
566N78.8Confident86.2Confident61 Ų6166.5 Ų66.533%0.32632%0.323SS..EExtended strand (participates in β ladder)trans-117.7128.9174.1172.7-11.7000109.6T564 I568 R569 K570T564-N566 PolarHBondContact O-N 2.88Å; N566-I568 PolarHBondContact O-N 3.46Å; N566-I568 VanDerWaalsContact O-N 3.16Å; N566-I568 PolarHBondContact OD1-N 3.45Å; N566-R569 HydrophobicContact CB-CG 3.87Å; N566-R569 VanDerWaalsContact CB-CZ 3.5Å; N566-R569 PolarHBondContact O-N 3.38Å; N566-K570 WeakPolarHBondContact O-CA 3.38Å; N566-K570 PolarHBondContact O-N 2.88Å
567S74Confident86.5Confident96 Ų9664 Ų6467%0.67131%0.31SS*.THydrogen-bonded Turntrans-59.7-23.4-176.4-580000114.9
568I75.8Confident86.7Confident147 Ų14757 Ų5775%0.75428%0.278SS*.THydrogen-bonded Turntrans-74.4-57.6179.3-59.3175.3000110.1N566 K570N566-I568 PolarHBondContact O-N 3.46Å; N566-I568 VanDerWaalsContact O-N 3.16Å; N566-I568 PolarHBondContact OD1-N 3.45Å; I568-K570 VanDerWaalsContact C-N 3.33Å; I568-K570 PolarHBondContact O-N 2.99Å
569R82.6Confident86.2Confident51 Ų5153.7 Ų53.719%0.19228%0.278CS..THydrogen-bonded Turntrans-73.2-21.2176.756.6167.6175.5-107.814.3114.3T564 N566 S571 E667T564-R569 PolarHBondContact O-NH2 3.23Å; N566-R569 HydrophobicContact CB-CG 3.87Å; N566-R569 VanDerWaalsContact CB-CZ 3.5Å; N566-R569 PolarHBondContact O-N 3.38Å; R569-S571 WeakPolarHBondContact CD-OG 3.38Å; R569-S571 PolarHBondContact NE-O 3.23Å; R569-S571 VanDerWaalsContact NE-O 3.1Å; R569-S571 PolarHBondContact O-N 3.48Å; R569-E667 IonicContact CZ-OE1 3.46Å; R569-E667 IonicContact CZ-OE2 2.7Å; R569-E667 IonicContact NE-OE1 3.13Å; R569-E667 PolarHBondContact NE-OE1 3.37Å; R569-E667 VanDerWaalsContact NE-OE1 3.17Å; R569-E667 IonicContact NH1-OE1 2.91Å; R569-E667 PolarHBondContact NH1-OE1 2.92Å; R569-E667 IonicContact NH1-OE2 2.64Å; R569-E667 PolarHBondContact NH1-OE2 3.13Å; R569-E667 IonicContact NH2-OE1 3.22Å; R569-E667 PolarHBondContact NH2-OE1 3.41Å; R569-E667 VanDerWaalsContact NH2-OE1 3.13Å; R569-E667 IonicContact NH2-OE2 2.69Å; R569-E667 PolarHBondContact NH2-OE2 3.11Å; R569-E667 VanDerWaalsContact NH2-OE2 3.14Å
570K88.4Confident85.5Confident80 Ų8059.8 Ų59.835%0.34831%0.31SS..THydrogen-bonded Turntrans53.229.4-173.3-49.6174.8-177.9161.40114.6F565 N566 I568 G591 A592 E594 M595F565-K570 VanDerWaalsContact CE2-C 3.45Å; F565-K570 HydrophobicContact CE2-CB 4.36Å; F565-K570 HydrophobicContact CZ-CB 4.44Å; N566-K570 WeakPolarHBondContact O-CA 3.38Å; N566-K570 PolarHBondContact O-N 2.88Å; I568-K570 VanDerWaalsContact C-N 3.33Å; I568-K570 PolarHBondContact O-N 2.99Å; K570-G591 VanDerWaalsContact O-CA 3.28Å; K570-G591 WeakPolarHBondContact O-CA 3.4Å; K570-A592 HydrophobicContact CB-CB 3.86Å; K570-A592 HydrophobicContact CD-CB 3.91Å; K570-A592 PolarHBondContact O-N 2.92Å; K570-E594 IonicContact NZ-OE1 2.86Å; K570-E594 PolarHBondContact NZ-OE1 2.89Å; K570-M595 HydrophobicContact CB-CG 4.12Å; K570-M595 HydrophobicContact CD-CG 3.91Å; K570-M595 HydrophobicContact CG-CG 4.36Å
571S91.4Very high85Confident8 Ų858.5 Ų58.56%0.05631%0.309CS..EExtended strand (participates in β ladder)trans-136.6162.2179.657.50000112R569 K590R569-S571 WeakPolarHBondContact CD-OG 3.38Å; R569-S571 PolarHBondContact NE-O 3.23Å; R569-S571 VanDerWaalsContact NE-O 3.1Å; R569-S571 PolarHBondContact O-N 3.48Å; S571-K590 CarbonylContact C-O 3.18Å; S571-K590 VanDerWaalsContact CA-O 3.29Å; S571-K590 WeakPolarHBondContact CA-O 3.44Å; S571-K590 WeakPolarHBondContact CB-O 3.24Å
572M91.9Very high84.2Confident24 Ų2459.6 Ų59.612%0.11832%0.323CS..EExtended strand (participates in β ladder)trans-133.5136.3179177.3-178.8-167.500107.9N508 V562 Y563 F565 K590N508-M572 PolarHBondContact ND2-O 3.35Å; V562-M572 HydrophobicContact CG1-CE 4.24Å; Y563-M572 WeakPolarHBondContact O-CA 3.24Å; Y563-M572 WeakPolarHBondContact O-CG 3.3Å; F565-M572 HydrophobicContact CB-CB 4.4Å; M572-K590 HydrophobicContact CB-CG 4.35Å; M572-K590 PolarHBondContact N-O 2.69Å; M572-K590 PolarHBondContact O-N 2.76Å
573S94Very high84Confident0 Ų061.5 Ų61.50%033%0.329CS..EExtended strand (participates in β ladder)trans-137.2143.6-177.8-57.70000112.4Y563 F588 T589 L671Y563-S573 WeakPolarHBondContact CA-O 3.28Å; Y563-S573 WeakPolarHBondContact CB-O 3.38Å; Y563-S573 PolarHBondContact N-O 3.44Å; Y563-S573 PolarHBondContact O-N 2.99Å; S573-F588 CarbonylContact C-O 3.57Å; S573-F588 WeakPolarHBondContact CA-O 3.46Å; S573-F588 WeakPolarHBondContact CB-O 3.39Å; S573-T589 WeakPolarHBondContact OG-CB 3.32Å; S573-T589 WeakPolarHBondContact OG-CG2 3.29Å; S573-T589 PolarHBondContact OG-OG1 3.02Å; S573-L671 WeakPolarHBondContact OG-CD2 3.24Å
574T93.6Very high83.9Confident2 Ų260.8 Ų60.81%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-129.9131.3178.5-67.40000109.7I507 N508 L559 V562 I576 F588I507-T574 HydrophobicContact CG2-CG2 3.91Å; N508-T574 PolarHBondContact OD1-N 2.92Å; N508-T574 PolarHBondContact OD1-OG1 3.37Å; N508-T574 VanDerWaalsContact OD1-OG1 3.13Å; L559-T574 HydrophobicContact CB-CG2 4.45Å; L559-T574 HydrophobicContact CD1-CG2 4.29Å; L559-T574 HydrophobicContact CD2-CG2 3.94Å; L559-T574 HydrophobicContact CG-CG2 4.45Å; V562-T574 HydrophobicContact CG2-CG2 4.14Å; T574-I576 HydrophobicContact CG2-CG2 4.43Å; T574-F588 PolarHBondContact N-O 3.24Å; T574-F588 PolarHBondContact O-N 3.49Å
575V93.3Very high84.1Confident0 Ų056.2 Ų56.20%030%0.298CS..EExtended strand (participates in β ladder)trans-98.1128.9174.5-176.80000109.2Y560 K561 Y563 F585 L586 L587 W664Y560-V575 HydrophobicContact CD1-CG1 4.11Å; Y560-V575 HydrophobicContact CG-CG1 4.46Å; Y560-V575 PolarHBondContact N-O 3.29Å; K561-V575 HydrophobicContact CB-CB 4.13Å; K561-V575 HydrophobicContact CB-CG2 4.15Å; K561-V575 PolarHBondContact N-O 2.93Å; K561-V575 PolarHBondContact O-N 2.97Å; Y563-V575 HydrophobicContact CE2-CG2 3.99Å; V575-F585 HydrophobicContact CG1-CB 4.24Å; V575-F585 HydrophobicContact CG1-CD1 3.99Å; V575-L586 WeakPolarHBondContact CA-O 3.36Å; V575-L587 HydrophobicContact CG2-CD1 3.6Å; V575-W664 HydrophobicContact CB-CZ3 4.33Å; V575-W664 HydrophobicContact CG1-CE3 4.48Å; V575-W664 HydrophobicContact CG1-CH2 3.76Å; V575-W664 HydrophobicContact CG1-CZ3 3.7Å; V575-W664 HydrophobicContact CG2-CE3 4.11Å; V575-W664 HydrophobicContact CG2-CZ3 3.73Å
576I92.1Very high84.5Confident1 Ų151.2 Ų51.21%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-118.1154.616564.5171.5000110.4M503 I507 W554 L559 T574 F585 L586 F588M503-I576 HydrophobicContact SD-CD1 4.38Å; I507-I576 HydrophobicContact CD1-CD1 3.89Å; I507-I576 HydrophobicContact CD1-CG2 4.49Å; I507-I576 HydrophobicContact CG2-CG2 3.67Å; W554-I576 HydrophobicContact CD2-CD1 4.42Å; W554-I576 HydrophobicContact CE3-CB 4.27Å; W554-I576 HydrophobicContact CE3-CD1 4.39Å; W554-I576 HydrophobicContact CE3-CG2 4.23Å; W554-I576 HydrophobicContact CH2-CB 4.49Å; W554-I576 HydrophobicContact CH2-CD1 4.06Å; W554-I576 HydrophobicContact CZ2-CD1 4.06Å; W554-I576 HydrophobicContact CZ3-CB 3.97Å; W554-I576 HydrophobicContact CZ3-CD1 4.22Å; W554-I576 HydrophobicContact CZ3-CG2 4.43Å; L559-I576 HydrophobicContact CD2-CG2 3.89Å; T574-I576 HydrophobicContact CG2-CG2 4.43Å; I576-F585 CarbonylContact O-C 2.96Å; I576-F585 WeakPolarHBondContact O-CA 3.31Å; I576-L586 HydrophobicContact CD1-CB 4.27Å; I576-L586 HydrophobicContact CG1-CB 3.73Å; I576-L586 PolarHBondContact N-O 3Å; I576-L586 PolarHBondContact O-N 3.31Å; I576-F588 HydrophobicContact CD1-CD2 4.5Å; I576-F588 HydrophobicContact CD1-CE2 3.72Å; I576-F588 HydrophobicContact CG1-CE2 4.2Å
577K88.1Confident85.3Confident71 Ų7148.3 Ų48.331%0.30926%0.261SS..EExtended strand (participates in β ladder)trans-97.1123.1173.3-170.7162.1-176.4142.70108.5W554 P582 F585 E661W554-K577 WeakPolarHBondContact CH2-O 3.41Å; K577-P582 WeakPolarHBondContact CE-O 3.25Å; K577-P582 PolarHBondContact NZ-O 2.93Å; K577-F585 HydrophobicContact CB-CD1 4.14Å; K577-F585 HydrophobicContact CB-CE1 4.12Å; K577-F585 HydrophobicContact CD-CE1 3.85Å; K577-F585 HydrophobicContact CD-CZ 4.03Å; K577-F585 HydrophobicContact CG-CD1 4.27Å; K577-F585 HydrophobicContact CG-CE1 3.98Å; K577-F585 HydrophobicContact CG-CZ 4.37Å; K577-E661 IonicContact NZ-OE1 3.74Å
578E81.4Confident86.3Confident41 Ų4143.8 Ų43.819%0.19223%0.229CC..  trans-65.7132.3-169.5-161171.3-12000111D580 N581 S584 L586 K643E578-D580 VanDerWaalsContact C-N 3.28Å; E578-D580 PolarHBondContact O-N 3.43Å; E578-N581 CarbonylContact O-C 3.53Å; E578-N581 PolarHBondContact O-N 2.86Å; E578-S584 VanDerWaalsContact CD-OG 3.28Å; E578-S584 PolarHBondContact N-O 2.91Å; E578-S584 WeakPolarHBondContact OE2-CB 3.21Å; E578-S584 PolarHBondContact OE2-OG 2.89Å; E578-L586 HydrophobicContact CG-CD1 4.37Å; E578-K643 IonicContact OE1-NZ 2.85Å; E578-K643 PolarHBondContact OE1-NZ 2.9Å; E578-K643 IonicContact OE2-NZ 3.53Å; E578-K643 PolarHBondContact OE2-NZ 3.26Å
579S73.9Confident87.3Confident80 Ų8036.8 Ų36.856%0.55919%0.194SC*.THydrogen-bonded Turntrans-63-35.2-173.1-530000113.2W554W554-S579 WeakPolarHBondContact CH2-OG 3.33Å; W554-S579 VanDerWaalsContact CZ2-OG 3.24Å; W554-S579 WeakPolarHBondContact CZ2-OG 3.33Å
580D72.6Confident87.9Confident156 Ų15635.1 Ų35.183%0.83419%0.188SC*.THydrogen-bonded Turntrans-86-14.2-174.1-54-28.8000112.8E578E578-D580 VanDerWaalsContact C-N 3.28Å; E578-D580 PolarHBondContact O-N 3.43Å
581N75.9Confident88.2Confident58 Ų5831.7 Ų31.731%0.3118%0.175SC..  trans-147.2106.2-179.3-177.80000111.8E578 M583 S584E578-N581 CarbonylContact O-C 3.53Å; E578-N581 PolarHBondContact O-N 2.86Å; N581-M583 PolarHBondContact O-N 3.22Å; N581-M583 WeakPolarHBondContact OD1-CB 3.34Å; N581-M583 PolarHBondContact OD1-N 2.83Å; N581-S584 WeakPolarHBondContact O-CB 3.48Å; N581-S584 PolarHBondContact O-N 2.87Å
582P74.9Confident88.2Confident87 Ų8732.3 Ų32.357%0.56518%0.18SC*.THydrogen-bonded Turntrans-71.42.5179.331.1-36.3000114.7K577K577-P582 WeakPolarHBondContact CE-O 3.25Å; K577-P582 PolarHBondContact NZ-O 2.93Å
583M82Confident88.2Confident101 Ų10131.1 Ų31.150%0.49818%0.175SC..THydrogen-bonded Turntrans-103.69168-64.5-61.3-169.700112.8N581 I646N581-M583 PolarHBondContact O-N 3.22Å; N581-M583 WeakPolarHBondContact OD1-CB 3.34Å; N581-M583 PolarHBondContact OD1-N 2.83Å; M583-I646 HydrophobicContact CB-CB 4.23Å; M583-I646 PolarHBondContact O-N 2.8Å; M583-I646 HydrophobicContact SD-CB 4.23Å; M583-I646 HydrophobicContact SD-CG2 4.46Å
584S87.8Confident88Confident0 Ų034.3 Ų34.30%019%0.189CC..EExtended strand (participates in β ladder)trans-120.7134.3-175.6176.60000111.3E578 N581 K643E578-S584 VanDerWaalsContact CD-OG 3.28Å; E578-S584 PolarHBondContact N-O 2.91Å; E578-S584 WeakPolarHBondContact OE2-CB 3.21Å; E578-S584 PolarHBondContact OE2-OG 2.89Å; N581-S584 WeakPolarHBondContact O-CB 3.48Å; N581-S584 PolarHBondContact O-N 2.87Å; S584-K643 WeakPolarHBondContact OG-CE 3.47Å; S584-K643 PolarHBondContact OG-NZ 3.35Å
585F90.7Very high87.9Confident0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-125.9142.5178.4-61.4-98.6000110.5Y560 V575 I576 K577 K643 I644 I646 E661 W664Y560-F585 HydrophobicContact CD1-CE1 4.35Å; Y560-F585 AromaticContact CD2-CE1 3.83Å; Y560-F585 HydrophobicContact CD2-CE1 3.83Å; Y560-F585 HydrophobicContact CE1-CE1 4.32Å; Y560-F585 AromaticContact CE2-CE1 3.74Å; Y560-F585 HydrophobicContact CE2-CE1 3.74Å; Y560-F585 HydrophobicContact CE2-CZ 4.36Å; Y560-F585 HydrophobicContact CG-CD1 4.49Å; Y560-F585 HydrophobicContact CG-CE1 4.13Å; V575-F585 HydrophobicContact CG1-CB 4.24Å; V575-F585 HydrophobicContact CG1-CD1 3.99Å; I576-F585 CarbonylContact O-C 2.96Å; I576-F585 WeakPolarHBondContact O-CA 3.31Å; K577-F585 HydrophobicContact CB-CD1 4.14Å; K577-F585 HydrophobicContact CB-CE1 4.12Å; K577-F585 HydrophobicContact CD-CE1 3.85Å; K577-F585 HydrophobicContact CD-CZ 4.03Å; K577-F585 HydrophobicContact CG-CD1 4.27Å; K577-F585 HydrophobicContact CG-CE1 3.98Å; K577-F585 HydrophobicContact CG-CZ 4.37Å; F585-K643 WeakPolarHBondContact O-CA 3.44Å; F585-I644 HydrophobicContact CB-CB 4.35Å; F585-I644 PolarHBondContact N-O 2.89Å; F585-I644 PolarHBondContact O-N 2.93Å; F585-I646 HydrophobicContact CE2-CD1 3.76Å; F585-I646 HydrophobicContact CE2-CG1 4.38Å; F585-E661 HydrophobicContact CE2-CG 4.31Å; F585-E661 HydrophobicContact CZ-CG 4.17Å; F585-E661 WeakPolarHBondContact CZ-OE1 3.49Å; F585-W664 HydrophobicContact CB-CH2 4.12Å; F585-W664 AromaticContact CD1-CH2 3.88Å; F585-W664 HydrophobicContact CD1-CH2 3.88Å; F585-W664 AromaticContact CD1-CZ2 3.88Å; F585-W664 HydrophobicContact CD1-CZ2 3.88Å; F585-W664 HydrophobicContact CD2-CH2 4.45Å; F585-W664 HydrophobicContact CD2-CZ2 4.4Å; F585-W664 HydrophobicContact CE1-CH2 4.37Å; F585-W664 AromaticContact CE1-CZ2 3.89Å; F585-W664 HydrophobicContact CE1-CZ2 3.89Å; F585-W664 HydrophobicContact CE2-CZ2 4.43Å; F585-W664 AromaticContact CG-CH2 3.91Å; F585-W664 HydrophobicContact CG-CH2 3.91Å; F585-W664 HydrophobicContact CG-CZ2 4.13Å; F585-W664 HydrophobicContact CZ-CZ2 4.17Å
586L92Very high87.9Confident11 Ų1137 Ų376%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-113.8111.8175-90.5157.4000108.9V575 I576 E578 F588 Y641 K643V575-L586 WeakPolarHBondContact CA-O 3.36Å; I576-L586 HydrophobicContact CD1-CB 4.27Å; I576-L586 HydrophobicContact CG1-CB 3.73Å; I576-L586 PolarHBondContact N-O 3Å; I576-L586 PolarHBondContact O-N 3.31Å; E578-L586 HydrophobicContact CG-CD1 4.37Å; L586-F588 HydrophobicContact CB-CE2 4.35Å; L586-F588 HydrophobicContact CB-CZ 4.33Å; L586-F588 HydrophobicContact CD1-CZ 4.45Å; L586-F588 HydrophobicContact CD2-CE1 4.27Å; L586-F588 HydrophobicContact CD2-CZ 4.31Å; L586-Y641 HydrophobicContact CD2-CD2 3.72Å; L586-Y641 HydrophobicContact CD2-CE2 4.27Å; L586-K643 HydrophobicContact CD2-CB 4.44Å
587L94.6Very high88.1Confident1 Ų137.1 Ų37.11%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-89.7111.9169.3176.870.8000107.9Y563 V575 Y641 K642 L670 L671 L674Y563-L587 HydrophobicContact CE2-CD1 4.31Å; V575-L587 HydrophobicContact CG2-CD1 3.6Å; L587-Y641 CarbonylContact O-C 3.51Å; L587-Y641 VanDerWaalsContact O-CA 3.23Å; L587-Y641 WeakPolarHBondContact O-CA 3.41Å; L587-K642 HydrophobicContact CB-CB 4.28Å; L587-K642 HydrophobicContact CD2-CB 4.28Å; L587-K642 HydrophobicContact CD2-CD 4.49Å; L587-K642 PolarHBondContact N-O 3.27Å; L587-K642 PolarHBondContact O-N 2.91Å; L587-L670 WeakPolarHBondContact CD2-O 3.41Å; L587-L671 HydrophobicContact CD2-CD2 4.34Å; L587-L674 HydrophobicContact CD2-CD2 4.17Å
588F96.3Very high88.3Confident0 Ų040.9 Ų40.90%022%0.22CC..EExtended strand (participates in β ladder)trans-97.6132.7172.2-71.2-52.2000110M503 N504 I507 N508 S573 T574 I576 L586M503-F588 HydrophobicContact CB-CZ 4.15Å; M503-F588 HydrophobicContact CG-CE2 3.81Å; M503-F588 HydrophobicContact CG-CZ 3.75Å; M503-F588 HydrophobicContact SD-CE2 4.1Å; M503-F588 HydrophobicContact SD-CZ 3.79Å; N504-F588 HydrophobicContact CB-CB 4.19Å; N504-F588 HydrophobicContact CB-CD1 3.48Å; N504-F588 VanDerWaalsContact CB-CD1 3.48Å; N504-F588 HydrophobicContact CB-CE1 3.96Å; N504-F588 HydrophobicContact CB-CG 3.87Å; I507-F588 HydrophobicContact CD1-CE2 4.34Å; N508-F588 HydrophobicContact CB-CB 3.92Å; N508-F588 PolarHBondContact ND2-O 3.31Å; N508-F588 VanDerWaalsContact ND2-O 3.14Å; S573-F588 CarbonylContact C-O 3.57Å; S573-F588 WeakPolarHBondContact CA-O 3.46Å; S573-F588 WeakPolarHBondContact CB-O 3.39Å; T574-F588 PolarHBondContact N-O 3.24Å; T574-F588 PolarHBondContact O-N 3.49Å; I576-F588 HydrophobicContact CD1-CD2 4.5Å; I576-F588 HydrophobicContact CD1-CE2 3.72Å; I576-F588 HydrophobicContact CG1-CE2 4.2Å; L586-F588 HydrophobicContact CB-CE2 4.35Å; L586-F588 HydrophobicContact CB-CZ 4.33Å; L586-F588 HydrophobicContact CD1-CZ 4.45Å; L586-F588 HydrophobicContact CD2-CE1 4.27Å; L586-F588 HydrophobicContact CD2-CZ 4.31Å
589T95.7Very high88.8Confident1 Ų141 Ų411%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-126.9139.2-179.9-61.40000110.9N504 N508 S573 V596 A640 L671 L674N504-T589 PolarHBondContact ND2-O 2.82Å; N508-T589 WeakPolarHBondContact ND2-CA 3.45Å; S573-T589 WeakPolarHBondContact OG-CB 3.32Å; S573-T589 WeakPolarHBondContact OG-CG2 3.29Å; S573-T589 PolarHBondContact OG-OG1 3.02Å; T589-V596 HydrophobicContact CG2-CG2 4.44Å; T589-A640 PolarHBondContact N-O 3.45Å; T589-A640 PolarHBondContact O-N 2.94Å; T589-L671 HydrophobicContact CG2-CD2 4.42Å; T589-L674 HydrophobicContact CG2-CD1 3.95Å
590K95.7Very high89.8Confident16 Ų1637.2 Ų37.27%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-137.3149.2168.775.7-175.1-176.6-169.80110N508 S509 E533 L536 S571 M572 G638N508-K590 PolarHBondContact ND2-N 3.38Å; N508-K590 VanDerWaalsContact O-CD 3.27Å; N508-K590 WeakPolarHBondContact O-CD 3.44Å; N508-K590 WeakPolarHBondContact O-CE 3.46Å; N508-K590 PolarHBondContact O-NZ 3.14Å; S509-K590 PolarHBondContact OG-NZ 3.34Å; E533-K590 IonicContact OE1-NZ 2.75Å; E533-K590 PolarHBondContact OE1-NZ 2.77Å; L536-K590 HydrophobicContact CD1-CD 4.08Å; S571-K590 CarbonylContact C-O 3.18Å; S571-K590 VanDerWaalsContact CA-O 3.29Å; S571-K590 WeakPolarHBondContact CA-O 3.44Å; S571-K590 WeakPolarHBondContact CB-O 3.24Å; M572-K590 HydrophobicContact CB-CG 4.35Å; M572-K590 PolarHBondContact N-O 2.69Å; M572-K590 PolarHBondContact O-N 2.76Å; K590-G638 WeakPolarHBondContact CA-O 3.3Å
591G93.5Very high90.8Very high8 Ų832.7 Ų32.78%0.08218%0.179CC..EExtended strand (participates in β ladder)trans179.2-170.7-179.200000113.9K570 S593 I637 G638K570-G591 VanDerWaalsContact O-CA 3.28Å; K570-G591 WeakPolarHBondContact O-CA 3.4Å; G591-S593 PolarHBondContact O-N 3.13Å; G591-I637 CarbonylContact O-C 3.54Å; G591-I637 WeakPolarHBondContact O-CA 3.44Å; G591-G638 PolarHBondContact N-O 3.39Å; G591-G638 VanDerWaalsContact N-O 3.1Å; G591-G638 PolarHBondContact O-N 2.94Å
592A91.5Very high91.7Very high20 Ų2032.8 Ų32.817%0.16518%0.175CC..EExtended strand (participates in β ladder)trans-58.7127.7171.300000109.6K570 E594 M595 V596K570-A592 HydrophobicContact CB-CB 3.86Å; K570-A592 HydrophobicContact CD-CB 3.91Å; K570-A592 PolarHBondContact O-N 2.92Å; A592-E594 VanDerWaalsContact CB-OE2 3.28Å; A592-E594 WeakPolarHBondContact CB-OE2 3.47Å; A592-E594 PolarHBondContact O-N 2.81Å; A592-M595 HydrophobicContact CB-CG 4.29Å; A592-M595 PolarHBondContact O-N 3.36Å; A592-V596 PolarHBondContact O-N 2.7Å
593S93.4Very high92.6Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-56.7-36.7-170.861.10000113.3G591 M595 V596 V597 I626 T636G591-S593 PolarHBondContact O-N 3.13Å; S593-M595 PolarHBondContact O-N 3.49Å; S593-V596 PolarHBondContact O-N 3.2Å; S593-V597 VanDerWaalsContact O-CB 3.27Å; S593-V597 WeakPolarHBondContact O-CB 3.35Å; S593-V597 VanDerWaalsContact O-CG2 3.26Å; S593-V597 WeakPolarHBondContact O-CG2 3.43Å; S593-V597 PolarHBondContact O-N 3.49Å; S593-I626 WeakPolarHBondContact OG-CG2 3.45Å; S593-T636 PolarHBondContact N-O 3.34Å; S593-T636 VanDerWaalsContact N-O 3.15Å; S593-T636 WeakPolarHBondContact OG-CB 3.22Å; S593-T636 PolarHBondContact OG-O 3.07Å; S593-T636 PolarHBondContact OG-OG1 2.82Å
594E89.1Confident93Very high66 Ų6624.3 Ų24.331%0.30813%0.127SC..Hα-helixtrans-68.2-19.3179.378.8-76.7-174.900114K570 A592 K598K570-E594 IonicContact NZ-OE1 2.86Å; K570-E594 PolarHBondContact NZ-OE1 2.89Å; A592-E594 VanDerWaalsContact CB-OE2 3.28Å; A592-E594 WeakPolarHBondContact CB-OE2 3.47Å; A592-E594 PolarHBondContact O-N 2.81Å; E594-K598 WeakPolarHBondContact O-CD 3.41Å; E594-K598 WeakPolarHBondContact O-CE 3.31Å; E594-K598 WeakPolarHBondContact O-CG 3.19Å
595M91.4Very high92.8Very high58 Ų5825.5 Ų25.529%0.28613%0.133SC..Hα-helixtrans-92.3-48.4174.7-60.4-58.7-63.800110.6K570 A592 S593 V597 K598 C599K570-M595 HydrophobicContact CB-CG 4.12Å; K570-M595 HydrophobicContact CD-CG 3.91Å; K570-M595 HydrophobicContact CG-CG 4.36Å; A592-M595 HydrophobicContact CB-CG 4.29Å; A592-M595 PolarHBondContact O-N 3.36Å; S593-M595 PolarHBondContact O-N 3.49Å; M595-V597 VanDerWaalsContact C-N 3.33Å; M595-V597 PolarHBondContact O-N 2.89Å; M595-K598 PolarHBondContact O-N 3.47Å; M595-C599 PolarHBondContact O-N 3.47Å; M595-C599 PolarHBondContact O-SG 2.75Å
596V94.2Very high92.3Very high2 Ų230.4 Ų30.41%0.01216%0.156CC..Hα-helixtrans-62.6-40.1-178.4177.90000111.3T589 A592 S593 K598 C599 C600 A640 L676T589-V596 HydrophobicContact CG2-CG2 4.44Å; A592-V596 PolarHBondContact O-N 2.7Å; S593-V596 PolarHBondContact O-N 3.2Å; V596-K598 VanDerWaalsContact C-N 3.33Å; V596-K598 PolarHBondContact O-N 3.01Å; V596-C599 PolarHBondContact O-N 3.32Å; V596-C600 PolarHBondContact O-N 2.91Å; V596-C600 PolarHBondContact O-SG 2.7Å; V596-A640 HydrophobicContact CG1-CB 3.63Å; V596-L676 HydrophobicContact CG1-CD1 4.33Å
597V94.6Very high91.7Very high2 Ų235.8 Ų35.81%0.01218%0.18CC..THydrogen-bonded Turntrans-60.9-39.5177.8163.60000112.1S593 M595 C599 C600 F613 Q618 L621 I626 L676 I679S593-V597 VanDerWaalsContact O-CB 3.27Å; S593-V597 WeakPolarHBondContact O-CB 3.35Å; S593-V597 VanDerWaalsContact O-CG2 3.26Å; S593-V597 WeakPolarHBondContact O-CG2 3.43Å; S593-V597 PolarHBondContact O-N 3.49Å; M595-V597 VanDerWaalsContact C-N 3.33Å; M595-V597 PolarHBondContact O-N 2.89Å; V597-C599 VanDerWaalsContact C-N 3.32Å; V597-C599 PolarHBondContact O-N 3.48Å; V597-C600 PolarHBondContact O-N 3.31Å; V597-C600 VanDerWaalsContact O-N 3.13Å; V597-F613 HydrophobicContact CG1-CE1 3.94Å; V597-F613 HydrophobicContact CG1-CZ 3.94Å; V597-Q618 HydrophobicContact CG1-CB 3.81Å; V597-Q618 HydrophobicContact CG1-CG 3.85Å; V597-Q618 PolarHBondContact O-NE2 3.34Å; V597-L621 HydrophobicContact CG2-CD2 4.09Å; V597-I626 HydrophobicContact CG2-CD1 4.07Å; V597-L676 HydrophobicContact CG2-CD1 4.3Å; V597-L676 HydrophobicContact CG2-CD2 4.19Å; V597-I679 HydrophobicContact CG2-CD1 4.3Å
598K92.2Very high90.8Very high151 Ų15138.5 Ų38.566%0.65720%0.195SC*.THydrogen-bonded Turntrans-67-32.4177.6-68.3179-178.4-172.60113E594 M595 V596 C600E594-K598 WeakPolarHBondContact O-CD 3.41Å; E594-K598 WeakPolarHBondContact O-CE 3.31Å; E594-K598 WeakPolarHBondContact O-CG 3.19Å; M595-K598 PolarHBondContact O-N 3.47Å; V596-K598 VanDerWaalsContact C-N 3.33Å; V596-K598 PolarHBondContact O-N 3.01Å; K598-C600 VanDerWaalsContact C-N 3.25Å; K598-C600 PolarHBondContact O-N 2.82Å
599C93Very high90.3Very high44 Ų4445.4 Ų45.430%0.29722%0.221SC..THydrogen-bonded Turntrans-75.9-8.5174.6-64.10000113.5M595 V596 V597 L671 G673 L674M595-C599 PolarHBondContact O-N 3.47Å; M595-C599 PolarHBondContact O-SG 2.75Å; V596-C599 PolarHBondContact O-N 3.32Å; V597-C599 VanDerWaalsContact C-N 3.32Å; V597-C599 PolarHBondContact O-N 3.48Å; C599-L671 WeakPolarHBondContact CB-O 3.24Å; C599-G673 PolarHBondContact O-N 2.59Å; C599-G673 VanDerWaalsContact O-N 3.17Å; C599-L674 HydrophobicContact CB-CD1 3.81Å; C599-L674 HydrophobicContact CB-CG 4.3Å; C599-L674 PolarHBondContact O-N 2.89Å
600C94.8Very high89.9Confident0 Ų046.5 Ų46.50%023%0.228CC..EExtended strand (participates in β ladder)trans-95.3122.4-177.1-66.10000112.4V596 V597 K598 F613 Q618 L674 L676V596-C600 PolarHBondContact O-N 2.91Å; V596-C600 PolarHBondContact O-SG 2.7Å; V597-C600 PolarHBondContact O-N 3.31Å; V597-C600 VanDerWaalsContact O-N 3.13Å; K598-C600 VanDerWaalsContact C-N 3.25Å; K598-C600 PolarHBondContact O-N 2.82Å; C600-F613 HydrophobicContact CB-CD1 3.75Å; C600-F613 HydrophobicContact CB-CE1 4Å; C600-F613 WeakPolarHBondContact O-CD1 3.35Å; C600-Q618 PolarHBondContact O-NE2 2.8Å; C600-L674 CarbonylContact C-O 3.56Å; C600-L674 WeakPolarHBondContact CA-O 3.38Å; C600-L676 HydrophobicContact CB-CB 4.15Å
601S94.3Very high89.6Confident60 Ų6049 Ų4942%0.4224%0.237SC..EExtended strand (participates in β ladder)trans-98.7-7.1169-56.80000112.9F613 G673 L674S601-F613 PolarHBondContact O-N 3.26Å; S601-G673 WeakPolarHBondContact OG-CA 3.29Å; S601-L674 PolarHBondContact N-O 2.97Å
602W94.6Very high89.6Confident61 Ų6153 Ų5323%0.23126%0.262CS..EExtended strand (participates in β ladder)trans-131.6155.5178.9-58.193000111.2P610 R611 P612 P653 N654 L674 T675 L676W602-P610 HydrophobicContact CE3-CB 4.05Å; W602-R611 WeakPolarHBondContact CA-O 3.41Å; W602-P612 HydrophobicContact CE3-CG 4.43Å; W602-P612 HydrophobicContact CH2-CG 4.46Å; W602-P612 HydrophobicContact CZ3-CG 3.89Å; W602-P653 HydrophobicContact CH2-CB 3.92Å; W602-P653 HydrophobicContact CH2-CG 4.29Å; W602-P653 WeakPolarHBondContact CZ2-O 3.49Å; W602-P653 HydrophobicContact CZ3-CB 4.3Å; W602-P653 HydrophobicContact CZ3-CG 4.16Å; W602-N654 HydrophobicContact CB-CB 4.16Å; W602-N654 HydrophobicContact CD2-CB 3.7Å; W602-N654 HydrophobicContact CE3-CB 4.28Å; W602-N654 HydrophobicContact CG-CB 3.61Å; W602-L674 PolarHBondContact N-O 3Å; W602-L674 VanDerWaalsContact N-O 3.14Å; W602-T675 HydrophobicContact CB-CG2 3.9Å; W602-T675 CarbonylContact O-C 3.53Å; W602-T675 WeakPolarHBondContact O-CA 3.28Å; W602-L676 PolarHBondContact O-N 3.18Å
603M92.8Very high89.6Confident6 Ų652.3 Ų52.33%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-137143.5173.2175.1-171.8-79.300109.2F478 P610 R611 F613 L621 L676F478-M603 HydrophobicContact CE1-CE 4.23Å; M603-P610 WeakPolarHBondContact O-CA 3.3Å; M603-R611 HydrophobicContact CB-CG 4.19Å; M603-R611 PolarHBondContact N-O 2.89Å; M603-R611 WeakPolarHBondContact O-CG 3.23Å; M603-R611 PolarHBondContact O-N 3.45Å; M603-R611 PolarHBondContact SD-NH2 2.71Å; M603-R611 VanDerWaalsContact SD-NH2 3.36Å; M603-F613 HydrophobicContact CB-CB 4.07Å; M603-F613 HydrophobicContact CB-CD2 4.12Å; M603-F613 HydrophobicContact CB-CG 4.02Å; M603-F613 HydrophobicContact CE-CD2 3.69Å; M603-F613 HydrophobicContact CE-CE1 4.4Å; M603-F613 HydrophobicContact CE-CE2 3.24Å; M603-F613 HydrophobicContact CE-CG 4.48Å; M603-F613 HydrophobicContact CE-CZ 3.65Å; M603-F613 HydrophobicContact SD-CD2 4.48Å; M603-L621 HydrophobicContact CE-CD2 3.76Å; M603-L676 HydrophobicContact CE-CD2 3.87Å
604M90.2Very high89.6Confident4 Ų454.8 Ų54.82%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-79128.2171.8-63.1-50.2-56.800112.3I497 N608 R609 P610 Y641 T675 L676 L677I497-M604 HydrophobicContact CD1-CB 4.18Å; M604-N608 HydrophobicContact CE-CB 4.34Å; M604-N608 WeakPolarHBondContact CE-O 3.17Å; M604-R609 VanDerWaalsContact CE-C 3.47Å; M604-P610 HydrophobicContact SD-CB 4.01Å; M604-Y641 HydrophobicContact SD-CE1 4.42Å; M604-T675 HydrophobicContact CG-CG2 3.92Å; M604-T675 HydrophobicContact SD-CG2 3.63Å; M604-L676 PolarHBondContact N-O 2.83Å; M604-L676 VanDerWaalsContact N-O 3.07Å; M604-L677 HydrophobicContact CG-CD2 3.83Å
605D83.8Confident89.7Confident24 Ų2457.7 Ų57.713%0.12829%0.289CS..  trans-77.7177.8169.578.42.4000112.4I497 Q607 N608 R609I497-D605 WeakPolarHBondContact CD1-O 3.4Å; D605-Q607 PolarHBondContact O-N 3.22Å; D605-Q607 VanDerWaalsContact OD1-C 3.23Å; D605-Q607 VanDerWaalsContact OD1-CA 3.31Å; D605-Q607 WeakPolarHBondContact OD1-CA 3.43Å; D605-Q607 PolarHBondContact OD1-N 3.2Å; D605-N608 PolarHBondContact O-N 3.38Å; D605-N608 PolarHBondContact OD1-N 3.37Å; D605-R609 PolarHBondContact N-O 3.2Å; D605-R609 PolarHBondContact OD1-N 3.44Å; D605-R609 IonicContact OD2-CZ 2.7Å; D605-R609 IonicContact OD2-NE 2.81Å; D605-R609 PolarHBondContact OD2-NE 3.49Å; D605-R609 VanDerWaalsContact OD2-NE 3.11Å; D605-R609 IonicContact OD2-NH2 3.9Å; D605-R609 PolarHBondContact OD2-NH2 3.01Å
606E80.5Confident89.8Confident103 Ų10362.1 Ų62.148%0.48131%0.309SS..THydrogen-bonded Turntrans-62.8-19.5176.7-69.7-179.3166.300114G480 P494G480-E606 WeakPolarHBondContact O-CG 3.49Å; P494-E606 WeakPolarHBondContact CG-O 3.37Å
607Q79.1Confident89.7Confident124 Ų12464.1 Ų64.158%0.57932%0.32SS*.THydrogen-bonded Turntrans-104.415.8-173.7-66.4130.413.700112.3D605 R609D605-Q607 PolarHBondContact O-N 3.22Å; D605-Q607 VanDerWaalsContact OD1-C 3.23Å; D605-Q607 VanDerWaalsContact OD1-CA 3.31Å; D605-Q607 WeakPolarHBondContact OD1-CA 3.43Å; D605-Q607 PolarHBondContact OD1-N 3.2Å; Q607-R609 VanDerWaalsContact C-N 3.31Å; Q607-R609 PolarHBondContact O-N 3.11Å
608N76.4Confident89.6Confident59 Ų5965 Ų6532%0.31632%0.324SS..SBendtrans58.139.6-177.7-163.283.5000113.3S496 I497 M604 D605S496-N608 VanDerWaalsContact CB-OD1 3.32Å; S496-N608 WeakPolarHBondContact CB-OD1 3.49Å; S496-N608 WeakPolarHBondContact OG-CB 3.25Å; S496-N608 PolarHBondContact OG-OD1 3.34Å; I497-N608 HydrophobicContact CG1-CB 4.26Å; I497-N608 VanDerWaalsContact CG1-OD1 3.29Å; I497-N608 WeakPolarHBondContact CG1-OD1 3.33Å; M604-N608 HydrophobicContact CE-CB 4.34Å; M604-N608 WeakPolarHBondContact CE-O 3.17Å; D605-N608 PolarHBondContact O-N 3.38Å; D605-N608 PolarHBondContact OD1-N 3.37Å
609R84.5Confident89.6Confident144 Ų14463.7 Ų63.754%0.54332%0.32SS..  trans-111.5131.9170.2-54.1179.9-64.5-176.50109.8M604 D605 Q607 R611M604-R609 VanDerWaalsContact CE-C 3.47Å; D605-R609 PolarHBondContact N-O 3.2Å; D605-R609 PolarHBondContact OD1-N 3.44Å; D605-R609 IonicContact OD2-CZ 2.7Å; D605-R609 IonicContact OD2-NE 2.81Å; D605-R609 PolarHBondContact OD2-NE 3.49Å; D605-R609 VanDerWaalsContact OD2-NE 3.11Å; D605-R609 IonicContact OD2-NH2 3.9Å; D605-R609 PolarHBondContact OD2-NH2 3.01Å; Q607-R609 VanDerWaalsContact C-N 3.31Å; Q607-R609 PolarHBondContact O-N 3.11Å; R609-R611 PolarHBondContact O-N 3.35Å
610P87.5Confident89.6Confident24 Ų2470.5 Ų70.516%0.15634%0.339CS..EExtended strand (participates in β ladder)trans-70.9115.2172.929.8-35.1000109.4W602 M603 M604 P653 N654W602-P610 HydrophobicContact CE3-CB 4.05Å; M603-P610 WeakPolarHBondContact O-CA 3.3Å; M604-P610 HydrophobicContact SD-CB 4.01Å; P610-P653 HydrophobicContact CG-CG 3.74Å; P610-N654 HydrophobicContact CB-CB 3.87Å; P610-N654 HydrophobicContact CG-CB 4.23Å; P610-N654 WeakPolarHBondContact CG-OD1 3.46Å
611R90.9Very high89.5Confident69 Ų6971 Ų7126%0.2634%0.342SS..EExtended strand (participates in β ladder)trans-92.8145.7168.973.6-179.2-171.8102-8.1110W602 M603 R609 F613 D617W602-R611 WeakPolarHBondContact CA-O 3.41Å; M603-R611 HydrophobicContact CB-CG 4.19Å; M603-R611 PolarHBondContact N-O 2.89Å; M603-R611 WeakPolarHBondContact O-CG 3.23Å; M603-R611 PolarHBondContact O-N 3.45Å; M603-R611 PolarHBondContact SD-NH2 2.71Å; M603-R611 VanDerWaalsContact SD-NH2 3.36Å; R609-R611 PolarHBondContact O-N 3.35Å; R611-F613 PolarHBondContact O-N 2.81Å; R611-D617 IonicContact CZ-OD1 2.69Å; R611-D617 IonicContact NH1-OD1 2.77Å; R611-D617 PolarHBondContact NH1-OD1 3.18Å; R611-D617 IonicContact NH1-OD2 3.95Å; R611-D617 IonicContact NH2-OD1 3.9Å; R611-D617 PolarHBondContact NH2-OD1 3.3Å
612P92.3Very high89.4Confident91 Ų9170 Ų7059%0.59133%0.333SS*.EExtended strand (participates in β ladder)trans-53.9137.8166.8-2434.2000110.3W602W602-P612 HydrophobicContact CE3-CG 4.43Å; W602-P612 HydrophobicContact CH2-CG 4.46Å; W602-P612 HydrophobicContact CZ3-CG 3.89Å
613F92.5Very high89.3Confident7 Ų773.5 Ų73.53%0.03135%0.353CS..  trans-118.493.5-176.7-174.5-139.8000108.3V597 C600 S601 M603 R611 D617 Q618 L621 L676V597-F613 HydrophobicContact CG1-CE1 3.94Å; V597-F613 HydrophobicContact CG1-CZ 3.94Å; C600-F613 HydrophobicContact CB-CD1 3.75Å; C600-F613 HydrophobicContact CB-CE1 4Å; C600-F613 WeakPolarHBondContact O-CD1 3.35Å; S601-F613 PolarHBondContact O-N 3.26Å; M603-F613 HydrophobicContact CB-CB 4.07Å; M603-F613 HydrophobicContact CB-CD2 4.12Å; M603-F613 HydrophobicContact CB-CG 4.02Å; M603-F613 HydrophobicContact CE-CD2 3.69Å; M603-F613 HydrophobicContact CE-CE1 4.4Å; M603-F613 HydrophobicContact CE-CE2 3.24Å; M603-F613 HydrophobicContact CE-CG 4.48Å; M603-F613 HydrophobicContact CE-CZ 3.65Å; M603-F613 HydrophobicContact SD-CD2 4.48Å; R611-F613 PolarHBondContact O-N 2.81Å; F613-D617 HydrophobicContact CD2-CB 3.35Å; F613-D617 VanDerWaalsContact CE2-C 3.49Å; F613-D617 HydrophobicContact CE2-CB 3.51Å; F613-D617 HydrophobicContact CG-CB 4.49Å; F613-Q618 HydrophobicContact CD1-CG 3.87Å; F613-Q618 HydrophobicContact CD2-CG 4.46Å; F613-Q618 HydrophobicContact CE1-CB 4.49Å; F613-Q618 HydrophobicContact CE1-CG 3.5Å; F613-Q618 HydrophobicContact CE2-CG 4.1Å; F613-Q618 HydrophobicContact CG-CG 4.33Å; F613-Q618 HydrophobicContact CZ-CB 4.16Å; F613-Q618 HydrophobicContact CZ-CG 3.61Å; F613-L621 HydrophobicContact CE2-CD2 4.29Å; F613-L621 HydrophobicContact CZ-CB 4.43Å; F613-L621 HydrophobicContact CZ-CD2 3.7Å; F613-L676 HydrophobicContact CE1-CD2 4.13Å; F613-L676 HydrophobicContact CZ-CD2 4.21Å
614S92.8Very high89.3Confident52 Ų5276 Ų7636%0.36437%0.374SS..  trans-73.7164.5-174.572.20000112.2Q616 D617 Q618S614-Q616 PolarHBondContact O-N 2.73Å; S614-Q616 PolarHBondContact OG-N 3.37Å; S614-D617 WeakPolarHBondContact CB-OD2 3.5Å; S614-D617 PolarHBondContact N-OD2 2.89Å; S614-D617 WeakPolarHBondContact O-CB 3.4Å; S614-D617 PolarHBondContact O-N 3.32Å; S614-D617 PolarHBondContact OG-N 3.47Å; S614-D617 VanDerWaalsContact OG-N 3.12Å; S614-D617 PolarHBondContact OG-OD2 2.77Å; S614-Q618 WeakPolarHBondContact O-CG 3.33Å; S614-Q618 PolarHBondContact O-N 3.03Å
615L91.7Very high89.4Confident126 Ų12676.2 Ų76.266%0.6638%0.376SS*.Hα-helixtrans-54.7-38171.7-76.3161.3000112.1Q618 E619L615-Q618 WeakPolarHBondContact O-CB 3.26Å; L615-Q618 PolarHBondContact O-N 3.02Å; L615-E619 WeakPolarHBondContact O-CG 3.19Å; L615-E619 PolarHBondContact O-N 3.02Å
616Q92.6Very high89.8Confident152 Ų15275.6 Ų75.671%0.7137%0.372SS*.Hα-helixtrans-67.6-36.2175.3-70-178.8-7.200112.6S614 R620S614-Q616 PolarHBondContact O-N 2.73Å; S614-Q616 PolarHBondContact OG-N 3.37Å; Q616-R620 WeakPolarHBondContact O-CB 3.25Å; Q616-R620 PolarHBondContact O-N 2.92Å
617D91.8Very high90.2Very high43 Ų4376.3 Ų76.323%0.2338%0.376CS..Hα-helixtrans-66.7-38.1171.8-68.4-84.4000111.6R611 F613 S614 L621R611-D617 IonicContact CZ-OD1 2.69Å; R611-D617 IonicContact NH1-OD1 2.77Å; R611-D617 PolarHBondContact NH1-OD1 3.18Å; R611-D617 IonicContact NH1-OD2 3.95Å; R611-D617 IonicContact NH2-OD1 3.9Å; R611-D617 PolarHBondContact NH2-OD1 3.3Å; F613-D617 HydrophobicContact CD2-CB 3.35Å; F613-D617 VanDerWaalsContact CE2-C 3.49Å; F613-D617 HydrophobicContact CE2-CB 3.51Å; F613-D617 HydrophobicContact CG-CB 4.49Å; S614-D617 WeakPolarHBondContact CB-OD2 3.5Å; S614-D617 PolarHBondContact N-OD2 2.89Å; S614-D617 WeakPolarHBondContact O-CB 3.4Å; S614-D617 PolarHBondContact O-N 3.32Å; S614-D617 PolarHBondContact OG-N 3.47Å; S614-D617 VanDerWaalsContact OG-N 3.12Å; S614-D617 PolarHBondContact OG-OD2 2.77Å; D617-L621 VanDerWaalsContact O-CB 3.27Å; D617-L621 WeakPolarHBondContact O-CB 3.38Å; D617-L621 PolarHBondContact O-N 3.42Å
618Q93Very high90.7Very high22 Ų2272.9 Ų72.910%0.10336%0.364CS..Hα-helixtrans-64.3-47.1177.2-69.3177.213.700111.6V597 C600 F613 S614 L615 L621 T622V597-Q618 HydrophobicContact CG1-CB 3.81Å; V597-Q618 HydrophobicContact CG1-CG 3.85Å; V597-Q618 PolarHBondContact O-NE2 3.34Å; C600-Q618 PolarHBondContact O-NE2 2.8Å; F613-Q618 HydrophobicContact CD1-CG 3.87Å; F613-Q618 HydrophobicContact CD2-CG 4.46Å; F613-Q618 HydrophobicContact CE1-CB 4.49Å; F613-Q618 HydrophobicContact CE1-CG 3.5Å; F613-Q618 HydrophobicContact CE2-CG 4.1Å; F613-Q618 HydrophobicContact CG-CG 4.33Å; F613-Q618 HydrophobicContact CZ-CB 4.16Å; F613-Q618 HydrophobicContact CZ-CG 3.61Å; S614-Q618 WeakPolarHBondContact O-CG 3.33Å; S614-Q618 PolarHBondContact O-N 3.03Å; L615-Q618 WeakPolarHBondContact O-CB 3.26Å; L615-Q618 PolarHBondContact O-N 3.02Å; Q618-L621 PolarHBondContact O-N 2.9Å; Q618-T622 WeakPolarHBondContact O-CB 3.39Å; Q618-T622 PolarHBondContact O-N 3.14Å; Q618-T622 PolarHBondContact O-OG1 2.89Å
619E92.8Very high91.4Very high122 Ų12270.1 Ų70.157%0.5735%0.349SS*.Hα-helixtrans-61.5-50175.5-73.1172.5166.100110.7L615 L621 T622 E623L615-E619 WeakPolarHBondContact O-CG 3.19Å; L615-E619 PolarHBondContact O-N 3.02Å; E619-L621 VanDerWaalsContact C-N 3.33Å; E619-L621 PolarHBondContact O-N 3.5Å; E619-T622 WeakPolarHBondContact O-CA 3.38Å; E619-T622 WeakPolarHBondContact O-CB 3.31Å; E619-T622 PolarHBondContact O-N 2.86Å; E619-E623 PolarHBondContact O-N 2.86Å
620R92.9Very high91.4Very high187 Ų18764.9 Ų64.971%0.70634%0.337SS*.Hα-helixtrans-60.1-39.7177.9-175.1177.9-178.6175.92.3112.9Q616 T622 A624Q616-R620 WeakPolarHBondContact O-CB 3.25Å; Q616-R620 PolarHBondContact O-N 2.92Å; R620-T622 VanDerWaalsContact C-N 3.27Å; R620-T622 PolarHBondContact O-N 3.07Å; R620-A624 WeakPolarHBondContact O-CB 3.29Å; R620-A624 PolarHBondContact O-N 3.23Å
621L93.3Very high91Very high11 Ų1166 Ų666%0.05835%0.353CS..Hα-helixtrans-65.6-34.6174.4-177.565.8000111.6F478 V597 M603 F613 D617 Q618 E619 V625 I626 L676 I679F478-L621 HydrophobicContact CD1-CD1 3.79Å; F478-L621 HydrophobicContact CD2-CD1 4.37Å; F478-L621 HydrophobicContact CE1-CD1 3.4Å; F478-L621 VanDerWaalsContact CE1-CD1 3.4Å; F478-L621 HydrophobicContact CE2-CD1 4.03Å; F478-L621 HydrophobicContact CG-CD1 4.25Å; F478-L621 HydrophobicContact CZ-CD1 3.51Å; V597-L621 HydrophobicContact CG2-CD2 4.09Å; M603-L621 HydrophobicContact CE-CD2 3.76Å; F613-L621 HydrophobicContact CE2-CD2 4.29Å; F613-L621 HydrophobicContact CZ-CB 4.43Å; F613-L621 HydrophobicContact CZ-CD2 3.7Å; D617-L621 VanDerWaalsContact O-CB 3.27Å; D617-L621 WeakPolarHBondContact O-CB 3.38Å; D617-L621 PolarHBondContact O-N 3.42Å; Q618-L621 PolarHBondContact O-N 2.9Å; E619-L621 VanDerWaalsContact C-N 3.33Å; E619-L621 PolarHBondContact O-N 3.5Å; L621-V625 HydrophobicContact CD1-CB 4.02Å; L621-V625 HydrophobicContact CD1-CG2 3.81Å; L621-V625 WeakPolarHBondContact O-CB 3.47Å; L621-V625 PolarHBondContact O-N 3.38Å; L621-V625 VanDerWaalsContact O-N 3.11Å; L621-I626 PolarHBondContact O-N 2.85Å; L621-L676 HydrophobicContact CD2-CD2 3.53Å; L621-I679 HydrophobicContact CD1-CD1 4.21Å; L621-I679 HydrophobicContact CD2-CD1 3.68Å; L621-I679 HydrophobicContact CG-CD1 3.92Å
622T92.4Very high90.7Very high38 Ų3866.1 Ų66.123%0.23336%0.356CS..Iπ-helixtrans-66.9-54178.3-56.30000110.6Q618 E619 R620 I626 E627Q618-T622 WeakPolarHBondContact O-CB 3.39Å; Q618-T622 PolarHBondContact O-N 3.14Å; Q618-T622 PolarHBondContact O-OG1 2.89Å; E619-T622 WeakPolarHBondContact O-CA 3.38Å; E619-T622 WeakPolarHBondContact O-CB 3.31Å; E619-T622 PolarHBondContact O-N 2.86Å; R620-T622 VanDerWaalsContact C-N 3.27Å; R620-T622 PolarHBondContact O-N 3.07Å; T622-I626 HydrophobicContact CG2-CB 4.38Å; T622-I626 WeakPolarHBondContact O-CB 3.47Å; T622-I626 PolarHBondContact O-N 2.64Å; T622-I626 VanDerWaalsContact O-N 3.13Å; T622-E627 HydrophobicContact CG2-CG 4.36Å; T622-E627 PolarHBondContact O-N 3.36Å
623E91.6Very high90.2Very high136 Ų13662 Ų6264%0.63633%0.33SS*.Iπ-helixtrans-65.8-41.5178.4-66.9-173.8155.400113.3E619 P628E619-E623 PolarHBondContact O-N 2.86Å; E623-P628 WeakPolarHBondContact O-CD 3.37Å; E623-P628 WeakPolarHBondContact O-CG 3.34Å
624A91.7Very high90Very high59 Ų5962 Ų6249%0.48833%0.33SS..Iπ-helixtrans-84.9-19-172.300000114.3R620R620-A624 WeakPolarHBondContact O-CB 3.29Å; R620-A624 PolarHBondContact O-N 3.23Å
625V92.8Very high89.8Confident8 Ų866.3 Ų66.35%0.04834%0.339CS..Iπ-helixtrans-133-53.3-173.3-175.20000112.7F478 L621 M629F478-V625 HydrophobicContact CB-CG1 3.78Å; F478-V625 HydrophobicContact CD2-CG1 4.09Å; F478-V625 HydrophobicContact CD2-CG2 3.79Å; F478-V625 HydrophobicContact CE2-CG2 3.98Å; F478-V625 HydrophobicContact CG-CG1 4.07Å; F478-V625 HydrophobicContact CG-CG2 4.43Å; L621-V625 HydrophobicContact CD1-CB 4.02Å; L621-V625 HydrophobicContact CD1-CG2 3.81Å; L621-V625 WeakPolarHBondContact O-CB 3.47Å; L621-V625 PolarHBondContact O-N 3.38Å; L621-V625 VanDerWaalsContact O-N 3.11Å; V625-M629 HydrophobicContact CG1-CE 3.75Å; V625-M629 HydrophobicContact CG1-SD 4.3Å; V625-M629 WeakPolarHBondContact O-CB 3.19Å; V625-M629 VanDerWaalsContact O-CG 3.29Å; V625-M629 WeakPolarHBondContact O-CG 3.47Å; V625-M629 PolarHBondContact O-N 2.93Å; V625-M629 VanDerWaalsContact O-N 3.08Å
626I91.8Very high89.8Confident10 Ų1060.9 Ų60.95%0.05131%0.311CS..Iπ-helixtrans-66.9-49.4-174.9-64.1172.7000111S593 V597 L621 T622 M629 A630 T636 I679S593-I626 WeakPolarHBondContact OG-CG2 3.45Å; V597-I626 HydrophobicContact CG2-CD1 4.07Å; L621-I626 PolarHBondContact O-N 2.85Å; T622-I626 HydrophobicContact CG2-CB 4.38Å; T622-I626 WeakPolarHBondContact O-CB 3.47Å; T622-I626 PolarHBondContact O-N 2.64Å; T622-I626 VanDerWaalsContact O-N 3.13Å; I626-M629 PolarHBondContact O-N 3.2Å; I626-A630 VanDerWaalsContact O-CB 3.32Å; I626-A630 WeakPolarHBondContact O-CB 3.45Å; I626-A630 PolarHBondContact O-N 3.25Å; I626-T636 HydrophobicContact CG2-CG2 4.42Å; I626-I679 HydrophobicContact CD1-CD1 3.84Å; I626-I679 HydrophobicContact CG1-CD1 3.7Å
627E89.3Confident89.9Confident119 Ų11954.1 Ų54.156%0.55628%0.28SS*.Hα-helixtrans-65.7-43.6-178.8-69.8-170.1163.500113T622 A630 G631T622-E627 HydrophobicContact CG2-CG 4.36Å; T622-E627 PolarHBondContact O-N 3.36Å; E627-A630 PolarHBondContact O-N 2.86Å; E627-G631 PolarHBondContact O-N 3.01Å
628P90.6Very high90.1Very high52 Ų5252.1 Ų52.134%0.33827%0.269SS..Hα-helixtrans-59.3-44.7171.4-29.937.2000113.5E623 A630 G631 E632E623-P628 WeakPolarHBondContact O-CD 3.37Å; E623-P628 WeakPolarHBondContact O-CG 3.34Å; P628-A630 PolarHBondContact O-N 3.15Å; P628-G631 PolarHBondContact O-N 3.25Å; P628-E632 PolarHBondContact O-N 2.88Å
629M90.8Very high90.3Very high0 Ų051.1 Ų51.10%026%0.264CS..Hα-helixtrans-60.3-45.2174.8-76.5-172.4-175.100111.3Q476 F478 H483 V625 I626 G631 E632 G633 L634 T636 I679Q476-M629 HydrophobicContact CB-CE 3.97Å; F478-M629 HydrophobicContact CB-CE 4.41Å; H483-M629 VanDerWaalsContact CD2-CE 3.43Å; H483-M629 WeakPolarHBondContact CD2-CE 3.25Å; H483-M629 VanDerWaalsContact NE2-CE 3.29Å; H483-M629 WeakPolarHBondContact NE2-CE 3.31Å; V625-M629 HydrophobicContact CG1-CE 3.75Å; V625-M629 HydrophobicContact CG1-SD 4.3Å; V625-M629 WeakPolarHBondContact O-CB 3.19Å; V625-M629 VanDerWaalsContact O-CG 3.29Å; V625-M629 WeakPolarHBondContact O-CG 3.47Å; V625-M629 PolarHBondContact O-N 2.93Å; V625-M629 VanDerWaalsContact O-N 3.08Å; I626-M629 PolarHBondContact O-N 3.2Å; M629-G631 VanDerWaalsContact C-N 3.34Å; M629-G631 PolarHBondContact O-N 3.08Å; M629-E632 PolarHBondContact O-N 3.42Å; M629-G633 PolarHBondContact O-N 3.26Å; M629-L634 HydrophobicContact CB-CB 4.34Å; M629-L634 HydrophobicContact CB-CD1 4.1Å; M629-L634 HydrophobicContact CG-CD1 4.12Å; M629-L634 VanDerWaalsContact O-CB 3.24Å; M629-L634 WeakPolarHBondContact O-CB 3.45Å; M629-L634 WeakPolarHBondContact O-CG 3.4Å; M629-L634 PolarHBondContact O-N 2.94Å; M629-T636 HydrophobicContact CB-CG2 3.48Å; M629-T636 VanDerWaalsContact CB-CG2 3.48Å; M629-T636 HydrophobicContact CG-CG2 4.28Å; M629-T636 HydrophobicContact SD-CG2 3.81Å; M629-I679 HydrophobicContact SD-CG2 4.3Å
630A83.4Confident90.5Very high35 Ų3545.3 Ų45.329%0.28924%0.237SC..Hα-helixtrans-67.6-32.417800000113I626 E627 P628 G633I626-A630 VanDerWaalsContact O-CB 3.32Å; I626-A630 WeakPolarHBondContact O-CB 3.45Å; I626-A630 PolarHBondContact O-N 3.25Å; E627-A630 PolarHBondContact O-N 2.86Å; P628-A630 PolarHBondContact O-N 3.15Å; A630-G633 WeakPolarHBondContact O-CA 3.3Å; A630-G633 PolarHBondContact O-N 3.11Å
631G80.7Confident90.6Very high48 Ų4837.3 Ų37.350%0.49521%0.207SC..Hα-helixtrans-69.3-37.7174.300000112.9E627 P628 M629 G633E627-G631 PolarHBondContact O-N 3.01Å; P628-G631 PolarHBondContact O-N 3.25Å; M629-G631 VanDerWaalsContact C-N 3.34Å; M629-G631 PolarHBondContact O-N 3.08Å; G631-G633 PolarHBondContact O-N 3.06Å
632E84.2Confident90.6Very high70 Ų7037.4 Ų37.433%0.32721%0.207SC..THydrogen-bonded Turntrans-68.6-4.3167.1-69.6-175.6-171.300112.4Q476 K485 P628 M629 L634 S717Q476-E632 PolarHBondContact NE2-OE2 3.21Å; K485-E632 IonicContact NZ-OE1 3.11Å; K485-E632 PolarHBondContact NZ-OE1 2.75Å; P628-E632 PolarHBondContact O-N 2.88Å; M629-E632 PolarHBondContact O-N 3.42Å; E632-L634 HydrophobicContact CB-CG 4.44Å; E632-S717 WeakPolarHBondContact O-CB 3.37Å; E632-S717 PolarHBondContact O-OG 3.37Å
633G80.4Confident90.5Very high4 Ų437.6 Ų37.64%0.04121%0.205CC..THydrogen-bonded Turntrans91.65175.100000114.8M629 A630 G631 T714M629-G633 PolarHBondContact O-N 3.26Å; A630-G633 WeakPolarHBondContact O-CA 3.3Å; A630-G633 PolarHBondContact O-N 3.11Å; G631-G633 PolarHBondContact O-N 3.06Å; G633-T714 VanDerWaalsContact O-CG2 3.3Å; G633-T714 WeakPolarHBondContact O-CG2 3.48Å; G633-T714 PolarHBondContact O-OG1 3.2Å
634L89.3Confident90.5Very high7 Ų731.1 Ų31.14%0.03717%0.174CC..PPolyproline II helixtrans-73.9144.5179.8-47.5179000110.7Q476 M629 E632 E683Q476-L634 HydrophobicContact CB-CD1 3.98Å; Q476-L634 VanDerWaalsContact CD-CD1 3.49Å; Q476-L634 HydrophobicContact CG-CD1 3.65Å; M629-L634 HydrophobicContact CB-CB 4.34Å; M629-L634 HydrophobicContact CB-CD1 4.1Å; M629-L634 HydrophobicContact CG-CD1 4.12Å; M629-L634 VanDerWaalsContact O-CB 3.24Å; M629-L634 WeakPolarHBondContact O-CB 3.45Å; M629-L634 WeakPolarHBondContact O-CG 3.4Å; M629-L634 PolarHBondContact O-N 2.94Å; E632-L634 HydrophobicContact CB-CG 4.44Å; L634-E683 HydrophobicContact CD2-CB 3.76Å; L634-E683 HydrophobicContact CD2-CG 3.98Å
635R87.9Confident90.2Very high143 Ų14328.7 Ų28.754%0.5415%0.153SC..EExtended strand (participates in β ladder)trans-87.4117.9167.2-176.1179.6-167.1164.25.1108.6I637 I682R635-I637 HydrophobicContact CG-CD1 4.26Å; R635-I682 HydrophobicContact CB-CG1 3.98Å; R635-I682 HydrophobicContact CG-CG1 4.49Å; R635-I682 PolarHBondContact N-O 3.44Å; R635-I682 WeakPolarHBondContact O-CG1 3.11Å; R635-I682 PolarHBondContact O-N 2.91Å
636T92.7Very high89.8Confident13 Ų1329.7 Ų29.78%0.0816%0.158CC..EExtended strand (participates in β ladder)trans-91.5119.8-176.444.70000111.7S593 I626 M629 I679S593-T636 PolarHBondContact N-O 3.34Å; S593-T636 VanDerWaalsContact N-O 3.15Å; S593-T636 WeakPolarHBondContact OG-CB 3.22Å; S593-T636 PolarHBondContact OG-O 3.07Å; S593-T636 PolarHBondContact OG-OG1 2.82Å; I626-T636 HydrophobicContact CG2-CG2 4.42Å; M629-T636 HydrophobicContact CB-CG2 3.48Å; M629-T636 VanDerWaalsContact CB-CG2 3.48Å; M629-T636 HydrophobicContact CG-CG2 4.28Å; M629-T636 HydrophobicContact SD-CG2 3.81Å; T636-I679 HydrophobicContact CG2-CG2 4.26Å
637I95.1Very high88.9Confident10 Ų1031.2 Ų31.25%0.05117%0.173CC..EExtended strand (participates in β ladder)trans-108119.4177.9-55-58.4000108.9T532 L536 G591 R635 I679 I680 I682T532-I637 HydrophobicContact CG2-CD1 3.97Å; T532-I637 HydrophobicContact CG2-CG1 4.34Å; L536-I637 HydrophobicContact CD1-CG2 4.29Å; L536-I637 HydrophobicContact CD2-CG2 4.4Å; G591-I637 CarbonylContact O-C 3.54Å; G591-I637 WeakPolarHBondContact O-CA 3.44Å; R635-I637 HydrophobicContact CG-CD1 4.26Å; I637-I679 CarbonylContact O-C 3.46Å; I637-I679 WeakPolarHBondContact O-CA 3.35Å; I637-I680 PolarHBondContact N-O 3.03Å; I637-I680 PolarHBondContact O-N 3.38Å; I637-I682 HydrophobicContact CG1-CD1 4.08Å; I637-I682 HydrophobicContact CG1-CG1 4.28Å
638G96.2Very high87.7Confident0 Ų031.9 Ų31.90%019%0.185CC..EExtended strand (participates in β ladder)trans-81.7138.4171.200000110.7K590 G591K590-G638 WeakPolarHBondContact CA-O 3.3Å; G591-G638 PolarHBondContact N-O 3.39Å; G591-G638 VanDerWaalsContact N-O 3.1Å; G591-G638 PolarHBondContact O-N 2.94Å
639I96.6Very high86.4Confident1 Ų135.9 Ų35.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-123.5123.9176.4-57-176000108.2I501 N504 I505 L536 L677 G678 I680I501-I639 HydrophobicContact CG2-CD1 4.42Å; N504-I639 HydrophobicContact CB-CG2 4.17Å; N504-I639 VanDerWaalsContact ND2-CG2 3.33Å; N504-I639 WeakPolarHBondContact ND2-CG2 3.27Å; I505-I639 HydrophobicContact CD1-CD1 3.7Å; I505-I639 HydrophobicContact CG1-CD1 3.7Å; L536-I639 HydrophobicContact CD2-CD1 4.39Å; I639-L677 HydrophobicContact CG2-CB 4.49Å; I639-L677 HydrophobicContact CG2-CD1 4.24Å; I639-L677 WeakPolarHBondContact O-CB 3.29Å; I639-L677 PolarHBondContact O-N 3.01Å; I639-G678 PolarHBondContact N-O 3.24Å; I639-G678 PolarHBondContact O-N 3.39Å; I639-I680 HydrophobicContact CD1-CD1 3.52Å; I639-I680 HydrophobicContact CD1-CG1 4.03Å
640A96.2Very high85.3Confident0 Ų037.9 Ų37.90%022%0.217CC..EExtended strand (participates in β ladder)trans-141.3161.3-176.700000111.3N504 T589 V596 L674 T675N504-A640 PolarHBondContact ND2-O 3.06Å; T589-A640 PolarHBondContact N-O 3.45Å; T589-A640 PolarHBondContact O-N 2.94Å; V596-A640 HydrophobicContact CG1-CB 3.63Å; A640-L674 HydrophobicContact CB-CB 4.04Å; A640-L674 HydrophobicContact CB-CD1 4.12Å; A640-T675 CarbonylContact C-O 3.07Å; A640-T675 WeakPolarHBondContact CA-O 3.26Å; A640-T675 WeakPolarHBondContact CB-O 3.41Å
641Y95.3Very high84.7Confident19 Ų1946.7 Ų46.78%0.07525%0.249CC..EExtended strand (participates in β ladder)trans-139.1163.4173.985-71.4000111.4L500 L586 L587 M604 K643 N654 T675 L677L500-Y641 HydrophobicContact CD1-CE1 4.13Å; L586-Y641 HydrophobicContact CD2-CD2 3.72Å; L586-Y641 HydrophobicContact CD2-CE2 4.27Å; L587-Y641 CarbonylContact O-C 3.51Å; L587-Y641 VanDerWaalsContact O-CA 3.23Å; L587-Y641 WeakPolarHBondContact O-CA 3.41Å; M604-Y641 HydrophobicContact SD-CE1 4.42Å; Y641-K643 HydrophobicContact CE2-CB 4.41Å; Y641-N654 PolarHBondContact OH-ND2 3.07Å; Y641-N654 VanDerWaalsContact OH-ND2 3.07Å; Y641-T675 HydrophobicContact CD1-CG2 4.23Å; Y641-T675 HydrophobicContact CE1-CG2 3.62Å; Y641-T675 PolarHBondContact N-O 3Å; Y641-T675 WeakPolarHBondContact O-CB 3.36Å; Y641-T675 PolarHBondContact O-N 2.88Å; Y641-L677 HydrophobicContact CD1-CD1 3.95Å; Y641-L677 HydrophobicContact CD1-CD2 3.59Å; Y641-L677 HydrophobicContact CD1-CG 3.73Å; Y641-L677 HydrophobicContact CE1-CD2 3.71Å; Y641-L677 HydrophobicContact CE1-CG 4.34Å; Y641-L677 HydrophobicContact CG-CD1 4.45Å
642K93.5Very high84.5Confident13 Ų1346.3 Ų46.36%0.05724%0.239CC..EExtended strand (participates in β ladder)trans-140.8134.4168.7-165.5179.8-175.8-179.10108L587 M656 L670 E672 L674L587-K642 HydrophobicContact CB-CB 4.28Å; L587-K642 HydrophobicContact CD2-CB 4.28Å; L587-K642 HydrophobicContact CD2-CD 4.49Å; L587-K642 PolarHBondContact N-O 3.27Å; L587-K642 PolarHBondContact O-N 2.91Å; K642-M656 WeakPolarHBondContact CE-SD 3.25Å; K642-M656 PolarHBondContact NZ-SD 2.95Å; K642-L670 WeakPolarHBondContact CD-O 3.37Å; K642-L670 PolarHBondContact NZ-O 2.85Å; K642-E672 VanDerWaalsContact CE-O 3.28Å; K642-E672 WeakPolarHBondContact CE-O 3.28Å; K642-E672 PolarHBondContact NZ-O 3.22Å; K642-L674 HydrophobicContact CB-CD2 3.8Å; K642-L674 HydrophobicContact CD-CD2 4.15Å
643K91.2Very high84.4Confident43 Ų4347.2 Ų47.219%0.18725%0.251CS..EExtended strand (participates in β ladder)trans-99.9129.9172.7-179.6164.6178.1141.70108.4E578 S584 F585 L586 Y641 D655 M656E578-K643 IonicContact OE1-NZ 2.85Å; E578-K643 PolarHBondContact OE1-NZ 2.9Å; E578-K643 IonicContact OE2-NZ 3.53Å; E578-K643 PolarHBondContact OE2-NZ 3.26Å; S584-K643 WeakPolarHBondContact OG-CE 3.47Å; S584-K643 PolarHBondContact OG-NZ 3.35Å; F585-K643 WeakPolarHBondContact O-CA 3.44Å; L586-K643 HydrophobicContact CD2-CB 4.44Å; Y641-K643 HydrophobicContact CE2-CB 4.41Å; K643-D655 WeakPolarHBondContact CD-OD2 3.2Å; K643-D655 WeakPolarHBondContact O-CA 3.46Å; K643-M656 PolarHBondContact O-N 3.3Å
644I90.2Very high84.8Confident0 Ų047.3 Ų47.30%025%0.25CS..EExtended strand (participates in β ladder)trans-119.4118.2-177.6-53.6172.7000107F585 M656 V658 P662 W664 L670F585-I644 HydrophobicContact CB-CB 4.35Å; F585-I644 PolarHBondContact N-O 2.89Å; F585-I644 PolarHBondContact O-N 2.93Å; I644-M656 WeakPolarHBondContact CA-O 3.48Å; I644-M656 HydrophobicContact CG1-CB 4.26Å; I644-M656 HydrophobicContact CG1-SD 4.42Å; I644-V658 HydrophobicContact CG2-CG1 4.41Å; I644-V658 HydrophobicContact CG2-CG2 3.7Å; I644-P662 HydrophobicContact CG2-CG 4.4Å; I644-W664 HydrophobicContact CD1-CH2 4.43Å; I644-W664 HydrophobicContact CD1-CZ3 4.33Å; I644-L670 HydrophobicContact CD1-CD2 3.78Å
645T86.7Confident84.6Confident7 Ų748 Ų484%0.04325%0.254CS..EExtended strand (participates in β ladder)trans-121.5126-174.6-54.60000110.8A647 M656 V658T645-A647 VanDerWaalsContact C-N 3.3Å; T645-A647 HydrophobicContact CG2-CB 3.87Å; T645-A647 PolarHBondContact O-N 3.22Å; T645-M656 PolarHBondContact N-O 3.44Å; T645-V658 PolarHBondContact O-N 3.29Å; T645-V658 VanDerWaalsContact O-N 3.12Å
646I83.2Confident84.4Confident29 Ų2942.9 Ų42.915%0.14924%0.237CC..  trans-88.168.6174.4-47.4174.3000108.9M583 F585 V658 E661M583-I646 HydrophobicContact CB-CB 4.23Å; M583-I646 PolarHBondContact O-N 2.8Å; M583-I646 HydrophobicContact SD-CB 4.23Å; M583-I646 HydrophobicContact SD-CG2 4.46Å; F585-I646 HydrophobicContact CE2-CD1 3.76Å; F585-I646 HydrophobicContact CE2-CG1 4.38Å; I646-V658 WeakPolarHBondContact CA-O 3.44Å; I646-V658 HydrophobicContact CG1-CG2 3.93Å; I646-E661 HydrophobicContact CD1-CB 4.28Å; I646-E661 HydrophobicContact CD1-CG 3.45Å; I646-E661 VanDerWaalsContact CD1-CG 3.45Å
647A73.3Confident84Confident43 Ų4346.5 Ų46.536%0.35526%0.255SS..SBendtrans-158.6159.7178.400000111T645 N649 I657T645-A647 VanDerWaalsContact C-N 3.3Å; T645-A647 HydrophobicContact CG2-CB 3.87Å; T645-A647 PolarHBondContact O-N 3.22Å; A647-N649 VanDerWaalsContact C-N 3.32Å; A647-N649 PolarHBondContact O-N 3.26Å; A647-I657 VanDerWaalsContact O-CG2 3.22Å; A647-I657 WeakPolarHBondContact O-CG2 3.26Å
648T63.2Low83.5Confident132 Ų13247.2 Ų47.281%0.8126%0.259SS*.SBendtrans-72.5-17.1-177.946.70000115.2
649N64.4Low82.7Confident137 Ų13756.9 Ų56.973%0.73330%0.304SS*.  trans-136.9131.7-178.5-77.7-35.2000111.6A647A647-N649 VanDerWaalsContact C-N 3.32Å; A647-N649 PolarHBondContact O-N 3.26Å
650S67.7Low82Confident41 Ų4160.5 Ų60.529%0.28733%0.33SS..  trans-106.3160.4163.1177.90000111.3S652 D655S650-S652 PolarHBondContact OG-N 3.18Å; S650-S652 VanDerWaalsContact OG-N 3.14Å; S650-S652 PolarHBondContact OG-O 3.37Å; S650-D655 VanDerWaalsContact OG-CB 3.26Å; S650-D655 WeakPolarHBondContact OG-CB 3.39Å; S650-D655 PolarHBondContact OG-OD2 2.9Å
651K70Confident81.3Confident220 Ų22064.6 Ų64.696%0.95735%0.349SS*.SBendtrans-86-14.5171.3-65.3-177.5178.8178.80113.8
652S78.1Confident80.7Confident41 Ų4164.8 Ų64.829%0.28735%0.353SS..SBendtrans-129.5141.8-175.738.40000112.7S650 N654 D655S650-S652 PolarHBondContact OG-N 3.18Å; S650-S652 VanDerWaalsContact OG-N 3.14Å; S650-S652 PolarHBondContact OG-O 3.37Å; S652-N654 WeakPolarHBondContact CB-OD1 3.3Å; S652-N654 PolarHBondContact O-N 3.42Å; S652-D655 PolarHBondContact O-N 3.42Å; S652-D655 PolarHBondContact OG-OD1 2.93Å
653P82.2Confident80.3Confident89 Ų8969 Ų6958%0.57838%0.376SS*.THydrogen-bonded Turntrans-75.5-9-170.232.7-38.5000114.2W602 P610W602-P653 HydrophobicContact CH2-CB 3.92Å; W602-P653 HydrophobicContact CH2-CG 4.29Å; W602-P653 WeakPolarHBondContact CZ2-O 3.49Å; W602-P653 HydrophobicContact CZ3-CB 4.3Å; W602-P653 HydrophobicContact CZ3-CG 4.16Å; P610-P653 HydrophobicContact CG-CG 3.74Å
654N87.1Confident80Confident5 Ų568 Ų683%0.02737%0.371CS..THydrogen-bonded Turntrans-99.84.2178.466.1-40000113.9W602 P610 Y641 S652 T675W602-N654 HydrophobicContact CB-CB 4.16Å; W602-N654 HydrophobicContact CD2-CB 3.7Å; W602-N654 HydrophobicContact CE3-CB 4.28Å; W602-N654 HydrophobicContact CG-CB 3.61Å; P610-N654 HydrophobicContact CB-CB 3.87Å; P610-N654 HydrophobicContact CG-CB 4.23Å; P610-N654 WeakPolarHBondContact CG-OD1 3.46Å; Y641-N654 PolarHBondContact OH-ND2 3.07Å; Y641-N654 VanDerWaalsContact OH-ND2 3.07Å; S652-N654 WeakPolarHBondContact CB-OD1 3.3Å; S652-N654 PolarHBondContact O-N 3.42Å; N654-T675 PolarHBondContact ND2-OG1 3.42Å
655D85.3Confident79.8Confident21 Ų2174 Ų7411%0.11240%0.403CS..  trans-76.7134.5173.2-78.427.4000110.7K643 S650 S652 I657K643-D655 WeakPolarHBondContact CD-OD2 3.2Å; K643-D655 WeakPolarHBondContact O-CA 3.46Å; S650-D655 VanDerWaalsContact OG-CB 3.26Å; S650-D655 WeakPolarHBondContact OG-CB 3.39Å; S650-D655 PolarHBondContact OG-OD2 2.9Å; S652-D655 PolarHBondContact O-N 3.42Å; S652-D655 PolarHBondContact OG-OD1 2.93Å; D655-I657 PolarHBondContact O-N 2.91Å
656M85.2Confident79.7Confident36 Ų3677.1 Ų77.118%0.17742%0.419CS..EExtended strand (participates in β ladder)trans-81.2110.8170-173.9179-17700109.4K642 K643 I644 T645 V658K642-M656 WeakPolarHBondContact CE-SD 3.25Å; K642-M656 PolarHBondContact NZ-SD 2.95Å; K643-M656 PolarHBondContact O-N 3.3Å; I644-M656 WeakPolarHBondContact CA-O 3.48Å; I644-M656 HydrophobicContact CG1-CB 4.26Å; I644-M656 HydrophobicContact CG1-SD 4.42Å; T645-M656 PolarHBondContact N-O 3.44Å; M656-V658 HydrophobicContact CE-CG1 3.97Å; M656-V658 HydrophobicContact CG-CG1 4.18Å
657I83.7Confident79.7Confident90 Ų9077.3 Ų77.346%0.46242%0.419SS..EExtended strand (participates in β ladder)trans-86.7125.7174.7-69.1170.1000109.2A647 D655A647-I657 VanDerWaalsContact O-CG2 3.22Å; A647-I657 WeakPolarHBondContact O-CG2 3.26Å; D655-I657 PolarHBondContact O-N 2.91Å
658V84.4Confident80.2Confident24 Ų2483 Ų8315%0.14544%0.439CS..  trans-130.3150.9178.5-71.40000110.7I644 T645 I646 M656 S660I644-V658 HydrophobicContact CG2-CG1 4.41Å; I644-V658 HydrophobicContact CG2-CG2 3.7Å; T645-V658 PolarHBondContact O-N 3.29Å; T645-V658 VanDerWaalsContact O-N 3.12Å; I646-V658 WeakPolarHBondContact CA-O 3.44Å; I646-V658 HydrophobicContact CG1-CG2 3.93Å; M656-V658 HydrophobicContact CE-CG1 3.97Å; M656-V658 HydrophobicContact CG-CG1 4.18Å; V658-S660 VanDerWaalsContact CG2-O 3.28Å; V658-S660 WeakPolarHBondContact CG2-O 3.46Å
659Q79.6Confident81.2Confident203 Ų20381.1 Ų81.195%0.94942%0.421SS*.SBendtrans-84.9-19.7179.7-65.1-172.90.300113.4
660S82.3Confident82.3Confident78 Ų7874.9 Ų74.955%0.54539%0.387SS..SBendtrans-141.9173.6178.963.60000110V658V658-S660 VanDerWaalsContact CG2-O 3.28Å; V658-S660 WeakPolarHBondContact CG2-O 3.46Å
661E80.7Confident83.3Confident86 Ų8673.7 Ų73.740%0.40238%0.377SS..  trans-56.1132.4165.2-77.7-173.6-179.500109.1Y560 K577 F585 I646Y560-E661 PolarHBondContact OH-OE2 2.9Å; K577-E661 IonicContact NZ-OE1 3.74Å; F585-E661 HydrophobicContact CE2-CG 4.31Å; F585-E661 HydrophobicContact CZ-CG 4.17Å; F585-E661 WeakPolarHBondContact CZ-OE1 3.49Å; I646-E661 HydrophobicContact CD1-CB 4.28Å; I646-E661 HydrophobicContact CD1-CG 3.45Å; I646-E661 VanDerWaalsContact CD1-CG 3.45Å
662P82.6Confident84.1Confident22 Ų2268.4 Ų68.414%0.14336%0.356CS..  trans-73162.6179.532.2-36.4000110.9I644 W664 L670I644-P662 HydrophobicContact CG2-CG 4.4Å; P662-W664 HydrophobicContact CG-CD2 4.3Å; P662-W664 HydrophobicContact CG-CE3 4.31Å; P662-W664 HydrophobicContact CG-CH2 3.84Å; P662-W664 HydrophobicContact CG-CZ2 3.82Å; P662-W664 HydrophobicContact CG-CZ3 4.08Å; P662-W664 PolarHBondContact O-N 3Å; P662-W664 PolarHBondContact O-NE1 2.75Å; P662-L670 HydrophobicContact CB-CD2 4Å; P662-L670 HydrophobicContact CG-CD2 3.96Å
663N85.6Confident84.7Confident101 Ų10167.5 Ų67.554%0.5435%0.353SS..  trans-68.9101.4174.1-179.411.5000110.6D665 D666N663-D665 PolarHBondContact O-N 3.26Å; N663-D665 VanDerWaalsContact O-N 3.1Å; N663-D665 PolarHBondContact OD1-N 2.96Å; N663-D665 VanDerWaalsContact OD1-N 3.07Å; N663-D666 HydrophobicContact CB-CB 4.12Å; N663-D666 PolarHBondContact O-N 2.88Å
664W85.6Confident85.3Confident24 Ų2463.3 Ų63.39%0.09133%0.326CS..THydrogen-bonded Turntrans-67.5-4.6179.5-56.5108.6000114.9Y560 K561 Y563 V575 F585 I644 P662 L670Y560-W664 HydrophobicContact CD1-CD2 4.47Å; Y560-W664 HydrophobicContact CD1-CZ2 4.37Å; Y560-W664 AromaticContact CE1-CD1 3.72Å; Y560-W664 AromaticContact CE1-CD2 3.86Å; Y560-W664 HydrophobicContact CE1-CD2 3.86Å; Y560-W664 AromaticContact CE1-CE2 3.41Å; Y560-W664 VanDerWaalsContact CE1-CE2 3.41Å; Y560-W664 HydrophobicContact CE1-CG 4.03Å; Y560-W664 AromaticContact CE1-CZ2 3.84Å; Y560-W664 HydrophobicContact CE1-CZ2 3.84Å; Y560-W664 AromaticContact CE1-NE1 3.32Å; Y560-W664 VanDerWaalsContact CE1-NE1 3.32Å; Y560-W664 AromaticContact CZ-CE2 4Å; Y560-W664 AromaticContact CZ-NE1 3.6Å; Y560-W664 PolarHBondContact OH-NE1 2.95Å; K561-W664 HydrophobicContact CD-CB 4.36Å; K561-W664 VanDerWaalsContact CE-O 3.29Å; K561-W664 WeakPolarHBondContact CE-O 3.29Å; K561-W664 PolarHBondContact NZ-O 2.77Å; Y563-W664 WeakPolarHBondContact CE1-O 3.33Å; Y563-W664 PolarHBondContact OH-O 2.91Å; V575-W664 HydrophobicContact CB-CZ3 4.33Å; V575-W664 HydrophobicContact CG1-CE3 4.48Å; V575-W664 HydrophobicContact CG1-CH2 3.76Å; V575-W664 HydrophobicContact CG1-CZ3 3.7Å; V575-W664 HydrophobicContact CG2-CE3 4.11Å; V575-W664 HydrophobicContact CG2-CZ3 3.73Å; F585-W664 HydrophobicContact CB-CH2 4.12Å; F585-W664 AromaticContact CD1-CH2 3.88Å; F585-W664 HydrophobicContact CD1-CH2 3.88Å; F585-W664 AromaticContact CD1-CZ2 3.88Å; F585-W664 HydrophobicContact CD1-CZ2 3.88Å; F585-W664 HydrophobicContact CD2-CH2 4.45Å; F585-W664 HydrophobicContact CD2-CZ2 4.4Å; F585-W664 HydrophobicContact CE1-CH2 4.37Å; F585-W664 AromaticContact CE1-CZ2 3.89Å; F585-W664 HydrophobicContact CE1-CZ2 3.89Å; F585-W664 HydrophobicContact CE2-CZ2 4.43Å; F585-W664 AromaticContact CG-CH2 3.91Å; F585-W664 HydrophobicContact CG-CH2 3.91Å; F585-W664 HydrophobicContact CG-CZ2 4.13Å; F585-W664 HydrophobicContact CZ-CZ2 4.17Å; I644-W664 HydrophobicContact CD1-CH2 4.43Å; I644-W664 HydrophobicContact CD1-CZ3 4.33Å; P662-W664 HydrophobicContact CG-CD2 4.3Å; P662-W664 HydrophobicContact CG-CE3 4.31Å; P662-W664 HydrophobicContact CG-CH2 3.84Å; P662-W664 HydrophobicContact CG-CZ2 3.82Å; P662-W664 HydrophobicContact CG-CZ3 4.08Å; P662-W664 PolarHBondContact O-N 3Å; P662-W664 PolarHBondContact O-NE1 2.75Å; W664-L670 HydrophobicContact CE3-CD1 3.91Å; W664-L670 HydrophobicContact CZ3-CD1 4.42Å
665D84.9Confident85.7Confident126 Ų12663.1 Ų63.167%0.67433%0.325SS*.THydrogen-bonded Turntrans-97.2-12.3170.5-63.1-39.4000112.8K561 N663 E667K561-D665 IonicContact NZ-OD1 2.8Å; K561-D665 PolarHBondContact NZ-OD1 2.72Å; N663-D665 PolarHBondContact O-N 3.26Å; N663-D665 VanDerWaalsContact O-N 3.1Å; N663-D665 PolarHBondContact OD1-N 2.96Å; N663-D665 VanDerWaalsContact OD1-N 3.07Å; D665-E667 VanDerWaalsContact C-N 3.33Å; D665-E667 PolarHBondContact O-N 3.21Å
666D85.1Confident86.2Confident72 Ų7262.2 Ų62.239%0.38532%0.32SS..  trans-86.873.4168.1-172.8-1.9000110.3N663 E668 H669 L670N663-D666 HydrophobicContact CB-CB 4.12Å; N663-D666 PolarHBondContact O-N 2.88Å; D666-E668 VanDerWaalsContact C-N 3.3Å; D666-E668 PolarHBondContact O-N 3.35Å; D666-H669 PolarHBondContact OD1-N 3Å; D666-L670 WeakPolarHBondContact O-CD1 3.31Å; D666-L670 WeakPolarHBondContact O-CG 3.21Å; D666-L670 PolarHBondContact O-N 3.41Å
667E83.2Confident86.6Confident32 Ų3260.7 Ų60.715%0.1531%0.313CS..Hα-helixtrans-66.2-31.8-177.6-167.9-175.4159.900112.7Y563 R569 D665 L670 L671Y563-E667 WeakPolarHBondContact CB-OE1 3.36Å; Y563-E667 HydrophobicContact CD1-CB 4.06Å; Y563-E667 HydrophobicContact CD1-CG 3.53Å; Y563-E667 WeakPolarHBondContact CD1-OE2 3.46Å; Y563-E667 HydrophobicContact CD2-CG 4.38Å; Y563-E667 HydrophobicContact CE1-CB 3.82Å; Y563-E667 HydrophobicContact CE1-CG 3.67Å; Y563-E667 HydrophobicContact CE2-CG 4.49Å; Y563-E667 HydrophobicContact CG-CG 3.91Å; R569-E667 IonicContact CZ-OE1 3.46Å; R569-E667 IonicContact CZ-OE2 2.7Å; R569-E667 IonicContact NE-OE1 3.13Å; R569-E667 PolarHBondContact NE-OE1 3.37Å; R569-E667 VanDerWaalsContact NE-OE1 3.17Å; R569-E667 IonicContact NH1-OE1 2.91Å; R569-E667 PolarHBondContact NH1-OE1 2.92Å; R569-E667 IonicContact NH1-OE2 2.64Å; R569-E667 PolarHBondContact NH1-OE2 3.13Å; R569-E667 IonicContact NH2-OE1 3.22Å; R569-E667 PolarHBondContact NH2-OE1 3.41Å; R569-E667 VanDerWaalsContact NH2-OE1 3.13Å; R569-E667 IonicContact NH2-OE2 2.69Å; R569-E667 PolarHBondContact NH2-OE2 3.11Å; R569-E667 VanDerWaalsContact NH2-OE2 3.14Å; D665-E667 VanDerWaalsContact C-N 3.33Å; D665-E667 PolarHBondContact O-N 3.21Å; E667-L670 PolarHBondContact O-N 3.03Å; E667-L671 HydrophobicContact CG-CD1 3.87Å; E667-L671 HydrophobicContact CG-CG 4.19Å; E667-L671 VanDerWaalsContact O-CG 3.28Å; E667-L671 WeakPolarHBondContact O-CG 3.43Å; E667-L671 PolarHBondContact O-N 3.04Å; E667-L671 VanDerWaalsContact O-N 3.08Å
668E83.7Confident87.1Confident163 Ų16356.6 Ų56.676%0.76229%0.293SS*.Hα-helixtrans-67.1-48.9-172.8-166.7156.7-150.200110.9D666 L670 L671 E672D666-E668 VanDerWaalsContact C-N 3.3Å; D666-E668 PolarHBondContact O-N 3.35Å; E668-L670 VanDerWaalsContact C-N 3.33Å; E668-L670 PolarHBondContact O-N 3.41Å; E668-L671 PolarHBondContact O-N 2.93Å; E668-E672 PolarHBondContact O-N 3.1Å
669H85Confident87.6Confident93 Ų9355.4 Ų55.443%0.43129%0.286SS..Hα-helixtrans-65.9-32.9175.4-17449.7000113.2D666 L671 E672D666-H669 PolarHBondContact OD1-N 3Å; H669-L671 VanDerWaalsContact C-N 3.3Å; H669-L671 PolarHBondContact O-N 3.31Å; H669-E672 IonicContact CE1-OE2 3.42Å; H669-E672 IonicContact CG-OE2 2.71Å; H669-E672 IonicContact ND1-OE2 2.94Å; H669-E672 PolarHBondContact ND1-OE2 3.23Å; H669-E672 PolarHBondContact O-N 3.21Å
670L87.1Confident88.4Confident5 Ų545.9 Ų45.93%0.02624%0.241CC..Hα-helixtrans-64.9-34.2175.7-76.3171.2000112.6Y563 L587 K642 I644 P662 W664 D666 E667 E668Y563-L670 WeakPolarHBondContact OH-CD1 3.48Å; L587-L670 WeakPolarHBondContact CD2-O 3.41Å; K642-L670 WeakPolarHBondContact CD-O 3.37Å; K642-L670 PolarHBondContact NZ-O 2.85Å; I644-L670 HydrophobicContact CD1-CD2 3.78Å; P662-L670 HydrophobicContact CB-CD2 4Å; P662-L670 HydrophobicContact CG-CD2 3.96Å; W664-L670 HydrophobicContact CE3-CD1 3.91Å; W664-L670 HydrophobicContact CZ3-CD1 4.42Å; D666-L670 WeakPolarHBondContact O-CD1 3.31Å; D666-L670 WeakPolarHBondContact O-CG 3.21Å; D666-L670 PolarHBondContact O-N 3.41Å; E667-L670 PolarHBondContact O-N 3.03Å; E668-L670 VanDerWaalsContact C-N 3.33Å; E668-L670 PolarHBondContact O-N 3.41Å
671L87.6Confident89Confident16 Ų1642.1 Ų42.18%0.08422%0.215CC..THydrogen-bonded Turntrans-83-5.8179.3-67.3176000114.7S573 L587 T589 C599 E667 E668 H669 L674S573-L671 WeakPolarHBondContact OG-CD2 3.24Å; L587-L671 HydrophobicContact CD2-CD2 4.34Å; T589-L671 HydrophobicContact CG2-CD2 4.42Å; C599-L671 WeakPolarHBondContact CB-O 3.24Å; E667-L671 HydrophobicContact CG-CD1 3.87Å; E667-L671 HydrophobicContact CG-CG 4.19Å; E667-L671 VanDerWaalsContact O-CG 3.28Å; E667-L671 WeakPolarHBondContact O-CG 3.43Å; E667-L671 PolarHBondContact O-N 3.04Å; E667-L671 VanDerWaalsContact O-N 3.08Å; E668-L671 PolarHBondContact O-N 2.93Å; H669-L671 VanDerWaalsContact C-N 3.3Å; H669-L671 PolarHBondContact O-N 3.31Å; L671-L674 WeakPolarHBondContact O-CG 3.31Å
672E87.6Confident89.5Confident110 Ų11038 Ų3851%0.51420%0.196SC..THydrogen-bonded Turntrans-72150.4170.6-65179.5138.500111.1K642 E668 H669 L674K642-E672 VanDerWaalsContact CE-O 3.28Å; K642-E672 WeakPolarHBondContact CE-O 3.28Å; K642-E672 PolarHBondContact NZ-O 3.22Å; E668-E672 PolarHBondContact O-N 3.1Å; H669-E672 IonicContact CE1-OE2 3.42Å; H669-E672 IonicContact CG-OE2 2.71Å; H669-E672 IonicContact ND1-OE2 2.94Å; H669-E672 PolarHBondContact ND1-OE2 3.23Å; H669-E672 PolarHBondContact O-N 3.21Å; E672-L674 PolarHBondContact O-N 2.85Å
673G90.3Very high89.9Confident22 Ų2238.1 Ų38.123%0.22719%0.194CC..THydrogen-bonded Turntrans67.130.517000000115.9C599 S601C599-G673 PolarHBondContact O-N 2.59Å; C599-G673 VanDerWaalsContact O-N 3.17Å; S601-G673 WeakPolarHBondContact OG-CA 3.29Å
674L94.9Very high89.9Confident1 Ų134 Ų341%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-64.5164.3175.1-57177.1000112.2L587 T589 C599 C600 S601 W602 A640 K642 L671 E672L587-L674 HydrophobicContact CD2-CD2 4.17Å; T589-L674 HydrophobicContact CG2-CD1 3.95Å; C599-L674 HydrophobicContact CB-CD1 3.81Å; C599-L674 HydrophobicContact CB-CG 4.3Å; C599-L674 PolarHBondContact O-N 2.89Å; C600-L674 CarbonylContact C-O 3.56Å; C600-L674 WeakPolarHBondContact CA-O 3.38Å; S601-L674 PolarHBondContact N-O 2.97Å; W602-L674 PolarHBondContact N-O 3Å; W602-L674 VanDerWaalsContact N-O 3.14Å; A640-L674 HydrophobicContact CB-CB 4.04Å; A640-L674 HydrophobicContact CB-CD1 4.12Å; K642-L674 HydrophobicContact CB-CD2 3.8Å; K642-L674 HydrophobicContact CD-CD2 4.15Å; L671-L674 WeakPolarHBondContact O-CG 3.31Å; E672-L674 PolarHBondContact O-N 2.85Å
675T95Very high90Very high0 Ų033.9 Ų33.90%018%0.175CC..EExtended strand (participates in β ladder)trans-108.6116.6170.5-53.70000110.6W602 M604 A640 Y641 N654 L677W602-T675 HydrophobicContact CB-CG2 3.9Å; W602-T675 CarbonylContact O-C 3.53Å; W602-T675 WeakPolarHBondContact O-CA 3.28Å; M604-T675 HydrophobicContact CG-CG2 3.92Å; M604-T675 HydrophobicContact SD-CG2 3.63Å; A640-T675 CarbonylContact C-O 3.07Å; A640-T675 WeakPolarHBondContact CA-O 3.26Å; A640-T675 WeakPolarHBondContact CB-O 3.41Å; Y641-T675 HydrophobicContact CD1-CG2 4.23Å; Y641-T675 HydrophobicContact CE1-CG2 3.62Å; Y641-T675 PolarHBondContact N-O 3Å; Y641-T675 WeakPolarHBondContact O-CB 3.36Å; Y641-T675 PolarHBondContact O-N 2.88Å; N654-T675 PolarHBondContact ND2-OG1 3.42Å; T675-L677 PolarHBondContact O-N 2.86Å
676L95.8Very high90.3Very high2 Ų229.2 Ų29.21%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-71.3124.1177.3-169.971.6000110.8V596 V597 C600 W602 M603 M604 F613 L621V596-L676 HydrophobicContact CG1-CD1 4.33Å; V597-L676 HydrophobicContact CG2-CD1 4.3Å; V597-L676 HydrophobicContact CG2-CD2 4.19Å; C600-L676 HydrophobicContact CB-CB 4.15Å; W602-L676 PolarHBondContact O-N 3.18Å; M603-L676 HydrophobicContact CE-CD2 3.87Å; M604-L676 PolarHBondContact N-O 2.83Å; M604-L676 VanDerWaalsContact N-O 3.07Å; F613-L676 HydrophobicContact CE1-CD2 4.13Å; F613-L676 HydrophobicContact CZ-CD2 4.21Å; L621-L676 HydrophobicContact CD2-CD2 3.53Å
677L94.2Very high90.4Very high4 Ų427.4 Ų27.42%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-92.6-36.3174.2-65.8172.1000111.8L500 I501 M604 I639 Y641 T675L500-L677 HydrophobicContact CB-CD1 4Å; L500-L677 HydrophobicContact CB-CD2 4.02Å; L500-L677 HydrophobicContact CD1-CD2 4.07Å; I501-L677 HydrophobicContact CD1-CB 4.15Å; I501-L677 HydrophobicContact CG1-CB 3.68Å; I501-L677 HydrophobicContact CG1-CD1 4.08Å; I501-L677 HydrophobicContact CG1-CG 4.38Å; M604-L677 HydrophobicContact CG-CD2 3.83Å; I639-L677 HydrophobicContact CG2-CB 4.49Å; I639-L677 HydrophobicContact CG2-CD1 4.24Å; I639-L677 WeakPolarHBondContact O-CB 3.29Å; I639-L677 PolarHBondContact O-N 3.01Å; Y641-L677 HydrophobicContact CD1-CD1 3.95Å; Y641-L677 HydrophobicContact CD1-CD2 3.59Å; Y641-L677 HydrophobicContact CD1-CG 3.73Å; Y641-L677 HydrophobicContact CE1-CD2 3.71Å; Y641-L677 HydrophobicContact CE1-CG 4.34Å; Y641-L677 HydrophobicContact CG-CD1 4.45Å; T675-L677 PolarHBondContact O-N 2.86Å
678G93.4Very high90.7Very high4 Ų431.5 Ų31.54%0.04117%0.168CC..EExtended strand (participates in β ladder)trans171.6177.417800000114.3F478 I639F478-G678 CarbonylContact O-C 3.48Å; F478-G678 WeakPolarHBondContact O-CA 3.47Å; I639-G678 PolarHBondContact N-O 3.24Å; I639-G678 PolarHBondContact O-N 3.39Å
679I95.7Very high91Very high0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-123131.5175.4-62.6161.8000108.2C477 F478 V597 L621 I626 M629 T636 I637C477-I679 CarbonylContact C-O 3.53Å; C477-I679 VanDerWaalsContact CA-O 3.23Å; C477-I679 WeakPolarHBondContact CA-O 3.32Å; F478-I679 HydrophobicContact CB-CB 4.36Å; F478-I679 PolarHBondContact N-O 3.41Å; F478-I679 PolarHBondContact O-N 2.92Å; V597-I679 HydrophobicContact CG2-CD1 4.3Å; L621-I679 HydrophobicContact CD1-CD1 4.21Å; L621-I679 HydrophobicContact CD2-CD1 3.68Å; L621-I679 HydrophobicContact CG-CD1 3.92Å; I626-I679 HydrophobicContact CD1-CD1 3.84Å; I626-I679 HydrophobicContact CG1-CD1 3.7Å; M629-I679 HydrophobicContact SD-CG2 4.3Å; T636-I679 HydrophobicContact CG2-CG2 4.26Å; I637-I679 CarbonylContact O-C 3.46Å; I637-I679 WeakPolarHBondContact O-CA 3.35Å
680I95.9Very high91.5Very high2 Ų222 Ų221%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-113120.3177.4-54.9-173.1000109.2A474 C477 I505 L536 F539 I637 I639 I682A474-I680 HydrophobicContact CB-CG2 3.7Å; C477-I680 HydrophobicContact CB-CG1 4.4Å; I505-I680 HydrophobicContact CD1-CD1 3.97Å; L536-I680 HydrophobicContact CD2-CB 4.25Å; L536-I680 HydrophobicContact CD2-CD1 3.93Å; L536-I680 HydrophobicContact CD2-CG2 4.3Å; F539-I680 HydrophobicContact CB-CD1 4.5Å; F539-I680 HydrophobicContact CD1-CD1 3.47Å; F539-I680 VanDerWaalsContact CD1-CD1 3.47Å; F539-I680 HydrophobicContact CD2-CD1 4.07Å; F539-I680 HydrophobicContact CD2-CG2 4.21Å; F539-I680 HydrophobicContact CE1-CD1 3.48Å; F539-I680 VanDerWaalsContact CE1-CD1 3.48Å; F539-I680 HydrophobicContact CE1-CG1 4.49Å; F539-I680 HydrophobicContact CE2-CD1 4.1Å; F539-I680 HydrophobicContact CG-CD1 3.77Å; F539-I680 HydrophobicContact CZ-CD1 3.8Å; F539-I680 HydrophobicContact CZ-CG1 4.38Å; I637-I680 PolarHBondContact N-O 3.03Å; I637-I680 PolarHBondContact O-N 3.38Å; I639-I680 HydrophobicContact CD1-CD1 3.52Å; I639-I680 HydrophobicContact CD1-CG1 4.03Å; I680-I682 HydrophobicContact CG2-CG2 3.82Å
681G94.5Very high91.8Very high0 Ų023.1 Ų23.10%013%0.131CC..EExtended strand (participates in β ladder)trans-85.311017100000110V475 Q476V475-G681 PolarHBondContact N-O 3.11Å; Q476-G681 PolarHBondContact N-O 3.3Å; Q476-G681 PolarHBondContact O-N 2.9Å
682I92.6Very high92.2Very high0 Ų024.9 Ų24.90%015%0.148CC..EExtended strand (participates in β ladder)trans-107.5142.6176.567.4169.4000110.6M472 T473 A474 T532 A535 R635 I637 I680M472-I682 HydrophobicContact CE-CB 3.98Å; M472-I682 HydrophobicContact CE-CD1 3.54Å; M472-I682 HydrophobicContact CE-CG1 3.46Å; M472-I682 VanDerWaalsContact CE-CG1 3.46Å; T473-I682 CarbonylContact O-C 3.57Å; T473-I682 VanDerWaalsContact O-CA 3.27Å; T473-I682 WeakPolarHBondContact O-CA 3.47Å; A474-I682 HydrophobicContact CB-CG2 4.01Å; T532-I682 HydrophobicContact CG2-CD1 3.78Å; A535-I682 HydrophobicContact CB-CB 4.2Å; A535-I682 HydrophobicContact CB-CD1 4.06Å; A535-I682 HydrophobicContact CB-CG2 3.94Å; R635-I682 HydrophobicContact CB-CG1 3.98Å; R635-I682 HydrophobicContact CG-CG1 4.49Å; R635-I682 PolarHBondContact N-O 3.44Å; R635-I682 WeakPolarHBondContact O-CG1 3.11Å; R635-I682 PolarHBondContact O-N 2.91Å; I637-I682 HydrophobicContact CG1-CD1 4.08Å; I637-I682 HydrophobicContact CG1-CG1 4.28Å; I680-I682 HydrophobicContact CG2-CG2 3.82Å
683E89.6Confident92.5Very high24 Ų2419.7 Ų19.711%0.11212%0.124CC..EExtended strand (participates in β ladder)trans-134.2167.5171.470174.4177.200112.4M472 T473 V475 L634 P685 K721M472-E683 CarbonylContact C-O 3.56Å; M472-E683 WeakPolarHBondContact CA-O 3.3Å; T473-E683 PolarHBondContact N-O 2.95Å; T473-E683 PolarHBondContact O-N 3.43Å; T473-E683 PolarHBondContact OG1-O 3.44Å; V475-E683 HydrophobicContact CG2-CG 3.75Å; L634-E683 HydrophobicContact CD2-CB 3.76Å; L634-E683 HydrophobicContact CD2-CG 3.98Å; E683-P685 WeakPolarHBondContact O-CD 3.29Å; E683-K721 IonicContact OE1-NZ 2.76Å; E683-K721 PolarHBondContact OE1-NZ 3.02Å; E683-K721 IonicContact OE2-NZ 3.45Å; E683-K721 PolarHBondContact OE2-NZ 3.04Å
684D86Confident92.8Very high13 Ų1318.7 Ų18.77%0.0711%0.113CC..  trans-98.2101.5168.6-176.814.8000107.4K463 T468 N470 R471 M472K463-D684 IonicContact NZ-OD2 2.73Å; K463-D684 PolarHBondContact NZ-OD2 2.81Å; T468-D684 WeakPolarHBondContact CB-OD1 3.34Å; T468-D684 WeakPolarHBondContact CB-OD2 3.43Å; T468-D684 HydrophobicContact CG2-CB 4.48Å; T468-D684 WeakPolarHBondContact CG2-O 3.37Å; T468-D684 PolarHBondContact OG1-OD1 3.2Å; T468-D684 PolarHBondContact OG1-OD2 3.03Å; N470-D684 WeakPolarHBondContact CA-OD1 3.38Å; N470-D684 PolarHBondContact N-OD1 3.11Å; R471-D684 PolarHBondContact N-OD1 2.9Å; M472-D684 HydrophobicContact SD-CB 3.71Å
685P88.2Confident92.8Very high23 Ų2326.5 Ų26.515%0.14914%0.143CC..PPolyproline II helixtrans-70.8145-166.627.4-32.1000111.4T468 T469 R471 T473 L524 E683T468-P685 CarbonylContact C-O 3.45Å; T468-P685 VanDerWaalsContact CA-O 3.27Å; T468-P685 WeakPolarHBondContact CA-O 3.26Å; T468-P685 WeakPolarHBondContact CB-O 3.09Å; T469-P685 HydrophobicContact CG2-CG 4.37Å; T469-P685 PolarHBondContact N-O 3.27Å; T469-P685 WeakPolarHBondContact OG1-CG 3.12Å; R471-P685 WeakPolarHBondContact O-CD 3.49Å; T473-P685 HydrophobicContact CG2-CG 4.36Å; L524-P685 HydrophobicContact CD1-CG 4.09Å; E683-P685 WeakPolarHBondContact O-CD 3.29Å
686V90.8Very high92.7Very high28 Ų2830.6 Ų30.617%0.1716%0.162CC..BIsolated β-bridgetrans-64.1139.7173.1177.60000109.7V690 P691 I718 K721 C722V686-V690 HydrophobicContact CG1-CB 4.05Å; V686-V690 HydrophobicContact CG1-CG1 4.02Å; V686-P691 HydrophobicContact CG1-CG 4.33Å; V686-I718 HydrophobicContact CG2-CD1 4.03Å; V686-I718 HydrophobicContact CG2-CG2 3.86Å; V686-K721 HydrophobicContact CG2-CB 4.05Å; V686-C722 VanDerWaalsContact CG1-SG 3.55Å
687R87.5Confident92.6Very high33 Ų3330.5 Ų30.513%0.12516%0.162CC..PPolyproline II helixtrans-65.2132.5175.4-61.6174.1178-1026110.1G465 T466 L467 T468 T469 E689 V690 P691 D834G465-R687 PolarHBondContact O-NH2 3.03Å; T466-R687 WeakPolarHBondContact O-CD 3.24Å; T466-R687 PolarHBondContact O-NE 2.89Å; T466-R687 VanDerWaalsContact O-NE 3.11Å; L467-R687 PolarHBondContact O-N 2.66Å; T468-R687 PolarHBondContact O-NE 2.96Å; T469-R687 HydrophobicContact CG2-CG 4.01Å; R687-E689 PolarHBondContact O-N 3.22Å; R687-V690 HydrophobicContact CB-CB 4.41Å; R687-V690 HydrophobicContact CB-CG2 3.79Å; R687-V690 HydrophobicContact CG-CG2 4.48Å; R687-V690 WeakPolarHBondContact O-CB 3.38Å; R687-V690 PolarHBondContact O-N 2.68Å; R687-P691 WeakPolarHBondContact O-CD 3.37Å; R687-D834 PolarHBondContact NE-O 3.28Å; R687-D834 PolarHBondContact NH1-O 3Å; R687-D834 PolarHBondContact NH2-O 3.03Å
688P89.3Confident92.6Very high118 Ų11833.1 Ų33.177%0.76617%0.174SC*.THydrogen-bonded Turntrans-52.7-31.6-173.4-29.435.7000115.6
689E90.6Very high92.5Very high57 Ų5739.4 Ų39.427%0.26620%0.2SC..THydrogen-bonded Turntrans-84-19.4-177.468.4-80.2-168.400114.6R687 A692 A693 N835R687-E689 PolarHBondContact O-N 3.22Å; E689-A692 PolarHBondContact O-N 3.09Å; E689-A693 PolarHBondContact O-N 3.24Å; E689-N835 VanDerWaalsContact CG-OD1 3.25Å; E689-N835 WeakPolarHBondContact CG-OD1 3.34Å; E689-N835 VanDerWaalsContact OE1-CG 3.27Å; E689-N835 PolarHBondContact OE1-ND2 3.33Å; E689-N835 PolarHBondContact OE1-OD1 2.82Å
690V94.3Very high92.4Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-59.6-45.8-176159.10000113.2L467 V686 R687 A692 A693 I694 C722 F836L467-V690 HydrophobicContact CB-CG1 4.47Å; L467-V690 HydrophobicContact CD2-CG1 3.79Å; L467-V690 HydrophobicContact CD2-CG2 4.4Å; V686-V690 HydrophobicContact CG1-CB 4.05Å; V686-V690 HydrophobicContact CG1-CG1 4.02Å; R687-V690 HydrophobicContact CB-CB 4.41Å; R687-V690 HydrophobicContact CB-CG2 3.79Å; R687-V690 HydrophobicContact CG-CG2 4.48Å; R687-V690 WeakPolarHBondContact O-CB 3.38Å; R687-V690 PolarHBondContact O-N 2.68Å; V690-A692 VanDerWaalsContact C-N 3.29Å; V690-A692 PolarHBondContact O-N 2.77Å; V690-A693 PolarHBondContact O-N 2.94Å; V690-I694 HydrophobicContact CG1-CD1 3.5Å; V690-I694 HydrophobicContact CG1-CG1 4.31Å; V690-I694 WeakPolarHBondContact O-CG1 3.42Å; V690-I694 PolarHBondContact O-N 3.04Å; V690-C722 HydrophobicContact CG1-CB 4.23Å; V690-F836 HydrophobicContact CG2-CB 3.65Å; V690-F836 HydrophobicContact CG2-CG 4.31Å
691P94.9Very high92.2Very high28 Ų2841.3 Ų41.318%0.18222%0.22CC..Hα-helixtrans-61.3-34.9178.9-24.334.6000113.5V686 R687 R695V686-P691 HydrophobicContact CG1-CG 4.33Å; R687-P691 WeakPolarHBondContact O-CD 3.37Å; P691-R695 WeakPolarHBondContact O-CG 3.27Å; P691-R695 PolarHBondContact O-N 2.87Å
692A95.3Very high92.2Very high53 Ų5341.4 Ų41.444%0.43822%0.22SC..Hα-helixtrans-72.1-43.3176.500000111.5E689 V690 I694 R695 Q696E689-A692 PolarHBondContact O-N 3.09Å; V690-A692 VanDerWaalsContact C-N 3.29Å; V690-A692 PolarHBondContact O-N 2.77Å; A692-I694 PolarHBondContact O-N 3.11Å; A692-R695 PolarHBondContact O-N 3.31Å; A692-Q696 WeakPolarHBondContact O-CG 3.22Å; A692-Q696 PolarHBondContact O-N 3.19Å; A692-Q696 VanDerWaalsContact O-N 3.1Å
693A95Very high92.3Very high2 Ų243.5 Ų43.52%0.01723%0.233CC..Hα-helixtrans-63.8-39177.700000112.7E689 V690 Q696 C697 F836 V840E689-A693 PolarHBondContact O-N 3.24Å; V690-A693 PolarHBondContact O-N 2.94Å; A693-Q696 WeakPolarHBondContact O-CB 3.32Å; A693-Q696 PolarHBondContact O-N 3.47Å; A693-C697 PolarHBondContact O-N 2.71Å; A693-F836 HydrophobicContact CB-CD1 3.8Å; A693-F836 HydrophobicContact CB-CE1 4.44Å; A693-V840 HydrophobicContact CB-CG2 3.79Å
694I95.4Very high92.6Very high0 Ų042.5 Ų42.50%023%0.229CC..Hα-helixtrans-65.5-42.4176.6-72.6168.9000111.6L467 V690 A692 Q696 C697 Q698 V704 C722 I724 F836L467-I694 HydrophobicContact CD2-CD1 4.19Å; V690-I694 HydrophobicContact CG1-CD1 3.5Å; V690-I694 HydrophobicContact CG1-CG1 4.31Å; V690-I694 WeakPolarHBondContact O-CG1 3.42Å; V690-I694 PolarHBondContact O-N 3.04Å; A692-I694 PolarHBondContact O-N 3.11Å; I694-Q696 VanDerWaalsContact C-N 3.29Å; I694-Q696 PolarHBondContact O-N 3.06Å; I694-C697 WeakPolarHBondContact O-CB 3.32Å; I694-C697 PolarHBondContact O-N 3.4Å; I694-Q698 HydrophobicContact CG2-CG 4.47Å; I694-Q698 WeakPolarHBondContact O-CG 3.27Å; I694-Q698 PolarHBondContact O-N 2.95Å; I694-V704 HydrophobicContact CG1-CG1 4.46Å; I694-V704 HydrophobicContact CG1-CG2 4.45Å; I694-V704 HydrophobicContact CG2-CG2 4.36Å; I694-C722 HydrophobicContact CD1-CB 3.72Å; I694-C722 WeakPolarHBondContact CD1-O 3.41Å; I694-I724 HydrophobicContact CD1-CD1 4.1Å; I694-I724 HydrophobicContact CD1-CG1 3.76Å; I694-I724 HydrophobicContact CG2-CG1 4.26Å; I694-F836 HydrophobicContact CG1-CD1 4.35Å; I694-F836 HydrophobicContact CG1-CE1 3.78Å; I694-F836 HydrophobicContact CG1-CZ 4.27Å
695R94.3Very high93.1Very high166 Ų16642.1 Ų42.163%0.62623%0.226SC*.Hα-helixtrans-60.5-38.4173.3-69.4172.9-167.1165.64.9112P691 A692 Q698 K699P691-R695 WeakPolarHBondContact O-CG 3.27Å; P691-R695 PolarHBondContact O-N 2.87Å; A692-R695 PolarHBondContact O-N 3.31Å; R695-Q698 PolarHBondContact O-N 2.84Å; R695-K699 WeakPolarHBondContact O-CB 3.43Å; R695-K699 PolarHBondContact O-N 3Å
696Q93.7Very high93.4Very high85 Ų8541 Ų4140%0.39722%0.219SC..Hα-helixtrans-65.2-42.5174.4-71.5177.5-3.800112.1A692 A693 I694 K699 A700 V840A692-Q696 WeakPolarHBondContact O-CG 3.22Å; A692-Q696 PolarHBondContact O-N 3.19Å; A692-Q696 VanDerWaalsContact O-N 3.1Å; A693-Q696 WeakPolarHBondContact O-CB 3.32Å; A693-Q696 PolarHBondContact O-N 3.47Å; I694-Q696 VanDerWaalsContact C-N 3.29Å; I694-Q696 PolarHBondContact O-N 3.06Å; Q696-K699 PolarHBondContact O-N 2.63Å; Q696-A700 WeakPolarHBondContact O-CB 3.29Å; Q696-A700 PolarHBondContact O-N 3.24Å; Q696-V840 HydrophobicContact CB-CG1 4.08Å
697C94.5Very high93.5Very high1 Ų140 Ų401%0.00721%0.213CC..Hα-helixtrans-59.3-46.5172-75.50000112.3A693 I694 A700 G701 I702 V704A693-C697 PolarHBondContact O-N 2.71Å; I694-C697 WeakPolarHBondContact O-CB 3.32Å; I694-C697 PolarHBondContact O-N 3.4Å; C697-A700 CarbonylContact O-C 3.44Å; C697-A700 WeakPolarHBondContact O-CB 3.37Å; C697-A700 PolarHBondContact O-N 2.74Å; C697-G701 PolarHBondContact O-N 3.3Å; C697-I702 CarbonylContact C-O 3.59Å; C697-I702 HydrophobicContact CB-CB 4.2Å; C697-I702 WeakPolarHBondContact O-CA 3.5Å; C697-I702 VanDerWaalsContact O-CB 3.32Å; C697-I702 WeakPolarHBondContact O-CB 3.3Å; C697-I702 PolarHBondContact O-N 3.08Å; C697-V704 HydrophobicContact CB-CG2 3.82Å
698Q92.6Very high93.6Very high58 Ų5838.5 Ų38.527%0.27121%0.207SC..Hα-helixtrans-61.4-46.5178.4-73.2166.4-14.600111.5I694 R695 A700 G701 G723I694-Q698 HydrophobicContact CG2-CG 4.47Å; I694-Q698 WeakPolarHBondContact O-CG 3.27Å; I694-Q698 PolarHBondContact O-N 2.95Å; R695-Q698 PolarHBondContact O-N 2.84Å; Q698-A700 PolarHBondContact O-N 3.09Å; Q698-G701 PolarHBondContact O-N 2.91Å; Q698-G723 PolarHBondContact NE2-O 2.78Å
699K92.8Very high93.1Very high137 Ų13734.7 Ų34.760%0.59619%0.19SC*.Hα-helixtrans-57.7-37.4174.3-165.1-172.1-173.9-163.20112.2R695 Q696 G701 D914R695-K699 WeakPolarHBondContact O-CB 3.43Å; R695-K699 PolarHBondContact O-N 3Å; Q696-K699 PolarHBondContact O-N 2.63Å; K699-G701 PolarHBondContact O-N 3.05Å; K699-D914 WeakPolarHBondContact CD-OD1 3.33Å; K699-D914 WeakPolarHBondContact CE-OD1 3.46Å; K699-D914 IonicContact NZ-OD1 3.68Å; K699-D914 PolarHBondContact NZ-OD1 2.91Å; K699-D914 IonicContact NZ-OD2 2.66Å
700A92.7Very high92.6Very high0 Ų034.4 Ų34.40%019%0.19CC..THydrogen-bonded Turntrans-74.54.8176.200000114.7Q696 C697 Q698 I702 R847 L913Q696-A700 WeakPolarHBondContact O-CB 3.29Å; Q696-A700 PolarHBondContact O-N 3.24Å; C697-A700 CarbonylContact O-C 3.44Å; C697-A700 WeakPolarHBondContact O-CB 3.37Å; C697-A700 PolarHBondContact O-N 2.74Å; Q698-A700 PolarHBondContact O-N 3.09Å; A700-I702 HydrophobicContact CB-CD1 4.43Å; A700-I702 HydrophobicContact CB-CG1 4.32Å; A700-R847 PolarHBondContact O-NH2 3.05Å; A700-L913 WeakPolarHBondContact CA-O 3.47Å; A700-L913 HydrophobicContact CB-CB 4.36Å; A700-L913 HydrophobicContact CB-CD2 4.32Å; A700-L913 WeakPolarHBondContact CB-O 3.35Å; A700-L913 PolarHBondContact N-O 3.24Å
701G91.6Very high91.9Very high41 Ų4137 Ų3742%0.42320%0.204SC..THydrogen-bonded Turntrans76.821.4-178.900000114.3C697 Q698 K699C697-G701 PolarHBondContact O-N 3.3Å; Q698-G701 PolarHBondContact O-N 2.91Å; K699-G701 PolarHBondContact O-N 3.05Å
702I94.7Very high91.5Very high2 Ų237.1 Ų37.11%0.0120%0.204CC..  trans-104.1119.5-178.7-51.5-177.3000109.7A456 I459 C697 A700 V704 V843A456-I702 HydrophobicContact CB-CD1 4.45Å; A456-I702 WeakPolarHBondContact O-CG1 3.37Å; I459-I702 HydrophobicContact CD1-CG2 3.76Å; I459-I702 HydrophobicContact CG1-CG2 3.77Å; C697-I702 CarbonylContact C-O 3.59Å; C697-I702 HydrophobicContact CB-CB 4.2Å; C697-I702 WeakPolarHBondContact O-CA 3.5Å; C697-I702 VanDerWaalsContact O-CB 3.32Å; C697-I702 WeakPolarHBondContact O-CB 3.3Å; C697-I702 PolarHBondContact O-N 3.08Å; A700-I702 HydrophobicContact CB-CD1 4.43Å; A700-I702 HydrophobicContact CB-CG1 4.32Å; I702-V704 PolarHBondContact O-N 2.89Å; I702-V843 HydrophobicContact CD1-CB 4.44Å; I702-V843 HydrophobicContact CD1-CG1 3.8Å; I702-V843 HydrophobicContact CD1-CG2 3.79Å
703T93.7Very high91.1Very high45 Ų4538 Ų3828%0.27620%0.201SC..EExtended strand (participates in β ladder)trans-83.9107.9176.6-52.80000110.6T457 A458 I459 R705T457-T703 PolarHBondContact O-N 3.11Å; A458-T703 WeakPolarHBondContact CA-O 3.05Å; I459-T703 PolarHBondContact N-O 3.48Å; T703-R705 HydrophobicContact CG2-CG 4.37Å; T703-R705 VanDerWaalsContact CG2-NH1 3.33Å
704V95.9Very high90.4Very high2 Ų239.1 Ų39.11%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-76.2136.8170.7-173.30000109.6I459 I694 C697 I702 I724 F836I459-V704 CarbonylContact O-C 3.52Å; I459-V704 WeakPolarHBondContact O-CA 3.37Å; I694-V704 HydrophobicContact CG1-CG1 4.46Å; I694-V704 HydrophobicContact CG1-CG2 4.45Å; I694-V704 HydrophobicContact CG2-CG2 4.36Å; C697-V704 HydrophobicContact CB-CG2 3.82Å; I702-V704 PolarHBondContact O-N 2.89Å; V704-I724 HydrophobicContact CG1-CD1 4.07Å; V704-I724 HydrophobicContact CG1-CG1 4.21Å; V704-F836 HydrophobicContact CG1-CZ 4.25Å; V704-F836 HydrophobicContact CG2-CZ 4.48Å
705R96.3Very high90.1Very high5 Ų539.1 Ų39.12%0.01921%0.208CC..EExtended strand (participates in β ladder)trans-131.8134.7176.2-64.8-180169.476.6-0.1109I459 S461 T703 W760 I761 L763 R764I459-R705 PolarHBondContact O-N 3.28Å; S461-R705 PolarHBondContact N-O 3.5Å; T703-R705 HydrophobicContact CG2-CG 4.37Å; T703-R705 VanDerWaalsContact CG2-NH1 3.33Å; R705-W760 PolarHBondContact NE-O 3.34Å; R705-W760 PolarHBondContact NH2-O 3.21Å; R705-I761 PolarHBondContact NH2-O 3.21Å; R705-L763 WeakPolarHBondContact CD-O 3.5Å; R705-L763 PolarHBondContact NE-O 3.47Å; R705-R764 CarbonylContact C-O 3.55Å; R705-R764 VanDerWaalsContact CA-O 3.31Å; R705-R764 WeakPolarHBondContact CA-O 3.47Å
706M95.5Very high89.9Confident0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-90.1134172.8-174.4-170.8-68.700110S461 K463 L467 T708 A715 I718 A719 I724 R764 V765 L766S461-M706 WeakPolarHBondContact O-CA 3.38Å; K463-M706 HydrophobicContact CB-CE 4.47Å; K463-M706 HydrophobicContact CB-CG 4.08Å; K463-M706 HydrophobicContact CB-SD 3.95Å; K463-M706 HydrophobicContact CG-CE 4.04Å; K463-M706 HydrophobicContact CG-SD 3.9Å; L467-M706 HydrophobicContact CD1-CE 3.95Å; L467-M706 HydrophobicContact CD1-CG 4.42Å; M706-T708 HydrophobicContact CG-CG2 4.33Å; M706-T708 HydrophobicContact SD-CG2 4.14Å; M706-A715 HydrophobicContact SD-CB 4.14Å; M706-I718 HydrophobicContact CE-CB 4.02Å; M706-I718 HydrophobicContact CE-CG2 3.64Å; M706-A719 HydrophobicContact CE-CB 3.95Å; M706-I724 HydrophobicContact CB-CD1 4.11Å; M706-I724 HydrophobicContact CE-CD1 4.13Å; M706-R764 PolarHBondContact N-O 3.29Å; M706-V765 HydrophobicContact CB-CG1 4.46Å; M706-V765 HydrophobicContact CB-CG2 4.4Å; M706-V765 WeakPolarHBondContact O-CA 3.21Å; M706-V765 HydrophobicContact SD-CG1 4.4Å; M706-L766 PolarHBondContact O-N 2.94Å
707V93.3Very high89.6Confident6 Ų632.7 Ų32.74%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-133.3111.5177.5-172.50000108.3C460 S461 D462 L766 K774 L777C460-V707 HydrophobicContact CB-CG2 4.21Å; S461-V707 PolarHBondContact O-N 3.31Å; D462-V707 WeakPolarHBondContact CA-O 3.28Å; V707-L766 WeakPolarHBondContact CA-O 3.47Å; V707-L766 HydrophobicContact CG1-CB 4.29Å; V707-L766 HydrophobicContact CG1-CD2 4.14Å; V707-K774 HydrophobicContact CG1-CB 4.38Å; V707-K774 HydrophobicContact CG1-CD 4.04Å; V707-K774 HydrophobicContact CG1-CG 3.68Å; V707-L777 HydrophobicContact CG2-CD2 3.65Å
708T89.1Confident89.4Confident2 Ų232.8 Ų32.81%0.01218%0.183CC..  trans-146.5152.3-169-175.10000113.6K463 M706 D710 A715 L766 A767 R768 S769K463-T708 HydrophobicContact CB-CG2 4.37Å; M706-T708 HydrophobicContact CG-CG2 4.33Å; M706-T708 HydrophobicContact SD-CG2 4.14Å; T708-D710 VanDerWaalsContact C-N 3.29Å; T708-D710 HydrophobicContact CG2-CB 4.09Å; T708-D710 PolarHBondContact OG1-N 3.05Å; T708-A715 HydrophobicContact CG2-CB 3.71Å; T708-L766 PolarHBondContact N-O 3.4Å; T708-A767 CarbonylContact O-C 3.57Å; T708-A767 VanDerWaalsContact O-C 3.28Å; T708-A767 WeakPolarHBondContact O-CA 3.2Å; T708-R768 PolarHBondContact O-N 3.27Å; T708-S769 VanDerWaalsContact C-OG 3.29Å; T708-S769 PolarHBondContact N-OG 3.29Å; T708-S769 PolarHBondContact O-N 3.16Å; T708-S769 PolarHBondContact O-OG 3.09Å
709G79.7Confident89.4Confident39 Ų3930 Ų3040%0.40217%0.17SC..SBendtrans-77.5-7.7171.200000114.8R768G709-R768 WeakPolarHBondContact O-CD 3.37Å; G709-R768 PolarHBondContact O-NH1 2.79Å; G709-R768 VanDerWaalsContact O-NH1 3.16Å
710D78.7Confident89.4Confident50 Ų5028.4 Ų28.427%0.26717%0.166SC..SBendtrans-66.7165.3176.7-76.7-23.9000112.5K463 T708 R768K463-D710 WeakPolarHBondContact CD-OD2 3.5Å; K463-D710 WeakPolarHBondContact CE-OD2 3.42Å; K463-D710 IonicContact NZ-OD2 2.7Å; K463-D710 PolarHBondContact NZ-OD2 2.89Å; T708-D710 VanDerWaalsContact C-N 3.29Å; T708-D710 HydrophobicContact CG2-CB 4.09Å; T708-D710 PolarHBondContact OG1-N 3.05Å; D710-R768 WeakPolarHBondContact O-CD 3.47Å; D710-R768 PolarHBondContact O-N 3.2Å
711N80.4Confident89.3Confident56 Ų5632.9 Ų32.930%0.29919%0.185SC..  trans-65.7159.9176.569-11.6000111.7N713 T714 A715N711-N713 VanDerWaalsContact C-N 3.28Å; N711-N713 PolarHBondContact O-N 2.55Å; N711-T714 WeakPolarHBondContact OD1-CB 3.45Å; N711-T714 PolarHBondContact OD1-N 3.33Å; N711-T714 PolarHBondContact OD1-OG1 3.04Å; N711-A715 VanDerWaalsContact O-CB 3.25Å; N711-A715 WeakPolarHBondContact O-CB 3.46Å; N711-A715 PolarHBondContact O-N 3.11Å; N711-A715 VanDerWaalsContact O-N 3.08Å
712V87.4Confident89.4Confident29 Ų2930.9 Ų30.918%0.17617%0.165CC..Hα-helixtrans-62.2-32.6-177.769.40000113.5R716 V733 E735 A767V712-R716 WeakPolarHBondContact O-CB 3.19Å; V712-R716 PolarHBondContact O-N 3.49Å; V712-V733 HydrophobicContact CG2-CG1 3.57Å; V712-E735 HydrophobicContact CB-CG 4Å; V712-E735 HydrophobicContact CG2-CG 4.42Å; V712-A767 HydrophobicContact CB-CB 4.04Å; V712-A767 HydrophobicContact CG2-CB 4.31Å
713N85Confident89.4Confident71 Ų7131.5 Ų31.538%0.3817%0.172SC..Hα-helixtrans-73.7-49.3-177.5-68-10.2000112.6N711 R716 S717N711-N713 VanDerWaalsContact C-N 3.28Å; N711-N713 PolarHBondContact O-N 2.55Å; N713-R716 PolarHBondContact O-N 3.49Å; N713-S717 PolarHBondContact O-N 3.05Å
714T81.8Confident89.4Confident27 Ų2729.4 Ų29.417%0.16616%0.159CC..Hα-helixtrans-65.1-41.6174.9-58.50000110.6G633 N711 R716 S717 I718G633-T714 VanDerWaalsContact O-CG2 3.3Å; G633-T714 WeakPolarHBondContact O-CG2 3.48Å; G633-T714 PolarHBondContact O-OG1 3.2Å; N711-T714 WeakPolarHBondContact OD1-CB 3.45Å; N711-T714 PolarHBondContact OD1-N 3.33Å; N711-T714 PolarHBondContact OD1-OG1 3.04Å; T714-R716 VanDerWaalsContact C-N 3.3Å; T714-R716 PolarHBondContact O-N 3.29Å; T714-S717 PolarHBondContact O-N 3.37Å; T714-I718 HydrophobicContact CG2-CG1 4.04Å; T714-I718 WeakPolarHBondContact O-CB 3.29Å; T714-I718 VanDerWaalsContact O-CG1 3.27Å; T714-I718 WeakPolarHBondContact O-CG1 3.35Å; T714-I718 PolarHBondContact O-N 2.91Å
715A87.4Confident89.3Confident0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-58.9-40.7175.300000112.2M706 T708 N711 A719 V765 A767M706-A715 HydrophobicContact SD-CB 4.14Å; T708-A715 HydrophobicContact CG2-CB 3.71Å; N711-A715 VanDerWaalsContact O-CB 3.25Å; N711-A715 WeakPolarHBondContact O-CB 3.46Å; N711-A715 PolarHBondContact O-N 3.11Å; N711-A715 VanDerWaalsContact O-N 3.08Å; A715-A719 WeakPolarHBondContact O-CB 3.46Å; A715-A719 PolarHBondContact O-N 2.83Å; A715-V765 HydrophobicContact CB-CG1 3.73Å; A715-A767 HydrophobicContact CB-CB 3.95Å
716R90.2Very high88.9Confident101 Ų10133.6 Ų33.638%0.38118%0.178SC..Hα-helixtrans-65.8-47.6174.8-172.5-171.7-67.9167.6-1.3112V712 N713 T714 A719 M720 I725V712-R716 WeakPolarHBondContact O-CB 3.19Å; V712-R716 PolarHBondContact O-N 3.49Å; N713-R716 PolarHBondContact O-N 3.49Å; T714-R716 VanDerWaalsContact C-N 3.3Å; T714-R716 PolarHBondContact O-N 3.29Å; R716-A719 PolarHBondContact O-N 3.13Å; R716-M720 HydrophobicContact CG-CE 3.75Å; R716-M720 WeakPolarHBondContact O-CG 3.45Å; R716-M720 PolarHBondContact O-N 3.41Å; R716-I725 HydrophobicContact CG-CD1 3.92Å
717S88.6Confident88.4Confident15 Ų1539.5 Ų39.511%0.10522%0.217CC..Hα-helixtrans-59.1-49.8177.91750000111.6E632 N713 T714 A719 M720 K721E632-S717 WeakPolarHBondContact O-CB 3.37Å; E632-S717 PolarHBondContact O-OG 3.37Å; N713-S717 PolarHBondContact O-N 3.05Å; T714-S717 PolarHBondContact O-N 3.37Å; S717-A719 VanDerWaalsContact C-N 3.3Å; S717-A719 PolarHBondContact O-N 3.19Å; S717-M720 WeakPolarHBondContact O-CB 3.37Å; S717-M720 PolarHBondContact O-N 3.2Å; S717-M720 VanDerWaalsContact O-N 3.13Å; S717-K721 WeakPolarHBondContact O-CG 3.28Å; S717-K721 PolarHBondContact O-N 2.76Å
718I90.1Very high87.9Confident3 Ų343.3 Ų43.32%0.01526%0.258CS..Hα-helixtrans-62.4-38.4177.1-60.2-69.1000110.7K463 T468 V686 M706 T714 M720 K721 C722K463-I718 HydrophobicContact CD-CG1 4.35Å; K463-I718 HydrophobicContact CD-CG2 4.32Å; K463-I718 HydrophobicContact CG-CB 4.49Å; K463-I718 HydrophobicContact CG-CG2 3.88Å; T468-I718 HydrophobicContact CG2-CD1 4.43Å; T468-I718 HydrophobicContact CG2-CG2 4.15Å; V686-I718 HydrophobicContact CG2-CD1 4.03Å; V686-I718 HydrophobicContact CG2-CG2 3.86Å; M706-I718 HydrophobicContact CE-CB 4.02Å; M706-I718 HydrophobicContact CE-CG2 3.64Å; T714-I718 HydrophobicContact CG2-CG1 4.04Å; T714-I718 WeakPolarHBondContact O-CB 3.29Å; T714-I718 VanDerWaalsContact O-CG1 3.27Å; T714-I718 WeakPolarHBondContact O-CG1 3.35Å; T714-I718 PolarHBondContact O-N 2.91Å; I718-M720 VanDerWaalsContact C-N 3.34Å; I718-M720 PolarHBondContact O-N 3.14Å; I718-K721 PolarHBondContact O-N 2.84Å; I718-C722 VanDerWaalsContact O-CB 3.26Å; I718-C722 WeakPolarHBondContact O-CB 3.45Å; I718-C722 PolarHBondContact O-N 3.08Å; I718-C722 PolarHBondContact O-SG 2.72Å
719A93.5Very high87.7Confident0 Ų047.3 Ų47.30%028%0.276CS..Hα-helixtrans-64.5-3417600000113.2M706 A715 R716 S717 G723 I724 I725 V765M706-A719 HydrophobicContact CE-CB 3.95Å; A715-A719 WeakPolarHBondContact O-CB 3.46Å; A715-A719 PolarHBondContact O-N 2.83Å; R716-A719 PolarHBondContact O-N 3.13Å; S717-A719 VanDerWaalsContact C-N 3.3Å; S717-A719 PolarHBondContact O-N 3.19Å; A719-G723 PolarHBondContact O-N 3.03Å; A719-I724 HydrophobicContact CB-CB 4.21Å; A719-I724 PolarHBondContact O-N 2.75Å; A719-I725 HydrophobicContact CB-CD1 4Å; A719-I725 HydrophobicContact CB-CG1 3.89Å; A719-I725 PolarHBondContact O-N 3.37Å; A719-V765 HydrophobicContact CB-CG2 3.51Å
720M91.8Very high88Confident102 Ų10252.4 Ų52.450%0.50229%0.294SS..Hα-helixtrans-68-49.8170-63.6-169.8-147.500111.3R716 S717 I718 C722 G723 I725R716-M720 HydrophobicContact CG-CE 3.75Å; R716-M720 WeakPolarHBondContact O-CG 3.45Å; R716-M720 PolarHBondContact O-N 3.41Å; S717-M720 WeakPolarHBondContact O-CB 3.37Å; S717-M720 PolarHBondContact O-N 3.2Å; S717-M720 VanDerWaalsContact O-N 3.13Å; I718-M720 VanDerWaalsContact C-N 3.34Å; I718-M720 PolarHBondContact O-N 3.14Å; M720-C722 PolarHBondContact O-N 2.94Å; M720-G723 PolarHBondContact O-N 2.87Å; M720-I725 HydrophobicContact CG-CD1 3.73Å; M720-I725 HydrophobicContact CG-CG1 3.82Å
721K90.8Very high88.6Confident94 Ų9453.4 Ų53.441%0.40930%0.296SS..Hα-helixtrans-56.7-37.9178.3-69.1-177.4-177.9-1740112E683 V686 S717 I718E683-K721 IonicContact OE1-NZ 2.76Å; E683-K721 PolarHBondContact OE1-NZ 3.02Å; E683-K721 IonicContact OE2-NZ 3.45Å; E683-K721 PolarHBondContact OE2-NZ 3.04Å; V686-K721 HydrophobicContact CG2-CB 4.05Å; S717-K721 WeakPolarHBondContact O-CG 3.28Å; S717-K721 PolarHBondContact O-N 2.76Å; I718-K721 PolarHBondContact O-N 2.84Å
722C93.6Very high89.2Confident0 Ų052.6 Ų52.60%029%0.291CS..THydrogen-bonded Turntrans-76.5-14.4175.5-71.40000114.7V686 V690 I694 I718 M720 I724V686-C722 VanDerWaalsContact CG1-SG 3.55Å; V690-C722 HydrophobicContact CG1-CB 4.23Å; I694-C722 HydrophobicContact CD1-CB 3.72Å; I694-C722 WeakPolarHBondContact CD1-O 3.41Å; I718-C722 VanDerWaalsContact O-CB 3.26Å; I718-C722 WeakPolarHBondContact O-CB 3.45Å; I718-C722 PolarHBondContact O-N 3.08Å; I718-C722 PolarHBondContact O-SG 2.72Å; M720-C722 PolarHBondContact O-N 2.94Å; C722-I724 HydrophobicContact CB-CD1 4.14Å; C722-I724 HydrophobicContact CB-CG1 3.96Å
723G93.8Very high89.6Confident14 Ų1452.3 Ų52.314%0.14429%0.29CS..THydrogen-bonded Turntrans72.321.7-17300000115Q698 A719 M720Q698-G723 PolarHBondContact NE2-O 2.78Å; A719-G723 PolarHBondContact O-N 3.03Å; M720-G723 PolarHBondContact O-N 2.87Å
724I95.6Very high90Very high1 Ų149.4 Ų49.41%0.00527%0.274CS..SBendtrans-73.6-33174.5-63.7178000111L467 I694 V704 M706 A719 C722 R764L467-I724 HydrophobicContact CD1-CD1 3.9Å; I694-I724 HydrophobicContact CD1-CD1 4.1Å; I694-I724 HydrophobicContact CD1-CG1 3.76Å; I694-I724 HydrophobicContact CG2-CG1 4.26Å; V704-I724 HydrophobicContact CG1-CD1 4.07Å; V704-I724 HydrophobicContact CG1-CG1 4.21Å; M706-I724 HydrophobicContact CB-CD1 4.11Å; M706-I724 HydrophobicContact CE-CD1 4.13Å; A719-I724 HydrophobicContact CB-CB 4.21Å; A719-I724 PolarHBondContact O-N 2.75Å; C722-I724 HydrophobicContact CB-CD1 4.14Å; C722-I724 HydrophobicContact CB-CG1 3.96Å; I724-R764 HydrophobicContact CG2-CB 4.31Å
725I93.8Very high90.6Very high4 Ų451.7 Ų51.72%0.02128%0.283CS..SBendtrans-122135.6171.455175.9000108.6R716 A719 M720 F731 R764R716-I725 HydrophobicContact CG-CD1 3.92Å; A719-I725 HydrophobicContact CB-CD1 4Å; A719-I725 HydrophobicContact CB-CG1 3.89Å; A719-I725 PolarHBondContact O-N 3.37Å; M720-I725 HydrophobicContact CG-CD1 3.73Å; M720-I725 HydrophobicContact CG-CG1 3.82Å; I725-F731 HydrophobicContact CB-CD1 3.97Å; I725-F731 HydrophobicContact CB-CD2 4.41Å; I725-F731 HydrophobicContact CB-CE1 4.12Å; I725-F731 HydrophobicContact CB-CG 4.14Å; I725-F731 HydrophobicContact CB-CZ 4.39Å; I725-F731 HydrophobicContact CD1-CE2 4.28Å; I725-F731 HydrophobicContact CD1-CZ 4.4Å; I725-F731 HydrophobicContact CG2-CB 4.01Å; I725-F731 HydrophobicContact CG2-CD1 4.07Å; I725-F731 HydrophobicContact CG2-CD2 3.93Å; I725-F731 HydrophobicContact CG2-CE2 4.45Å; I725-F731 HydrophobicContact CG2-CG 3.73Å; I725-R764 HydrophobicContact CG2-CB 3.62Å; I725-R764 HydrophobicContact CG2-CG 4.04Å
726Q87.6Confident90.7Very high91 Ų9151.8 Ų51.843%0.42528%0.284SS..  trans-112.9142.2173.4-55.9-171.346.300110G728 E729 F731Q726-G728 PolarHBondContact O-N 2.89Å; Q726-E729 HydrophobicContact CB-CG 4.09Å; Q726-E729 PolarHBondContact O-N 2.88Å; Q726-F731 WeakPolarHBondContact O-CE1 3.45Å
727P84.8Confident90.7Very high125 Ų12555.6 Ų55.681%0.81230%0.303SS*.THydrogen-bonded Turntrans-55.6128.8175-23.734000111.3
728G82.5Confident90.9Very high86 Ų8656.9 Ų56.989%0.88731%0.307SS*.THydrogen-bonded Turntrans91.9-8.4-179.700000116Q726Q726-G728 PolarHBondContact O-N 2.89Å
729E83.9Confident91.1Very high86 Ų8656.7 Ų56.740%0.40231%0.307SS..SBendtrans-78.6148.6171.7-73-175.8157.600112.5Q726 F731Q726-E729 HydrophobicContact CB-CG 4.09Å; Q726-E729 PolarHBondContact O-N 2.88Å; E729-F731 HydrophobicContact CB-CD1 4.08Å; E729-F731 WeakPolarHBondContact O-CD1 3.45Å; E729-F731 WeakPolarHBondContact O-CE1 3.33Å; E729-F731 PolarHBondContact O-N 3.01Å
730N86.7Confident91Very high145 Ų14558.1 Ų58.178%0.77531%0.314SS*.  trans-7490.1169.9-81.2-27.4000110.8
731F91.3Very high91Very high72 Ų7261.6 Ų61.632%0.31632%0.322SS..  trans-120.9155.6175.660.6-102.5000112.6I725 Q726 E729 V733 R764I725-F731 HydrophobicContact CB-CD1 3.97Å; I725-F731 HydrophobicContact CB-CD2 4.41Å; I725-F731 HydrophobicContact CB-CE1 4.12Å; I725-F731 HydrophobicContact CB-CG 4.14Å; I725-F731 HydrophobicContact CB-CZ 4.39Å; I725-F731 HydrophobicContact CD1-CE2 4.28Å; I725-F731 HydrophobicContact CD1-CZ 4.4Å; I725-F731 HydrophobicContact CG2-CB 4.01Å; I725-F731 HydrophobicContact CG2-CD1 4.07Å; I725-F731 HydrophobicContact CG2-CD2 3.93Å; I725-F731 HydrophobicContact CG2-CE2 4.45Å; I725-F731 HydrophobicContact CG2-CG 3.73Å; Q726-F731 WeakPolarHBondContact O-CE1 3.45Å; E729-F731 HydrophobicContact CB-CD1 4.08Å; E729-F731 WeakPolarHBondContact O-CD1 3.45Å; E729-F731 WeakPolarHBondContact O-CE1 3.33Å; E729-F731 PolarHBondContact O-N 3.01Å; F731-V733 HydrophobicContact CD2-CG2 3.9Å; F731-V733 HydrophobicContact CE2-CG2 4.09Å; F731-R764 HydrophobicContact CB-CB 4.27Å; F731-R764 HydrophobicContact CB-CG 3.68Å
732L93.6Very high91.1Very high38 Ų3862.2 Ų62.220%0.19932%0.322CS..EExtended strand (participates in β ladder)trans-117.3129174.2-178.667.1000110.3I734 V759 N762 R764 V765L732-I734 HydrophobicContact CD1-CG2 3.74Å; L732-I734 HydrophobicContact CD2-CD1 4.23Å; L732-I734 HydrophobicContact CD2-CG2 4.33Å; L732-I734 HydrophobicContact CG-CG2 3.91Å; L732-V759 HydrophobicContact CD2-CG1 3.87Å; L732-N762 HydrophobicContact CB-CB 4.13Å; L732-N762 PolarHBondContact N-O 3.48Å; L732-R764 PolarHBondContact O-N 3.09Å; L732-V765 PolarHBondContact O-N 3.46Å
733V94.3Very high91Very high23 Ų2362.2 Ų62.214%0.13932%0.322CS..EExtended strand (participates in β ladder)trans-121.3118.2174.2175.20000107.5V712 F731 V765V712-V733 HydrophobicContact CG2-CG1 3.57Å; F731-V733 HydrophobicContact CD2-CG2 3.9Å; F731-V733 HydrophobicContact CE2-CG2 4.09Å; V733-V765 WeakPolarHBondContact CA-O 3.27Å; V733-V765 HydrophobicContact CB-CB 4.36Å; V733-V765 HydrophobicContact CG1-CB 4.03Å; V733-V765 HydrophobicContact CG1-CG1 4.29Å; V733-V765 HydrophobicContact CG2-CB 3.99Å; V733-V765 HydrophobicContact CG2-CG2 4.07Å
734I95.2Very high90.8Very high10 Ų1065.4 Ų65.45%0.05133%0.329CS..EExtended strand (participates in β ladder)trans-141.2160.4-176.753.6177.8000111.7L732 E738 F739 V759 L763 V765 L766 A767L732-I734 HydrophobicContact CD1-CG2 3.74Å; L732-I734 HydrophobicContact CD2-CD1 4.23Å; L732-I734 HydrophobicContact CD2-CG2 4.33Å; L732-I734 HydrophobicContact CG-CG2 3.91Å; I734-E738 HydrophobicContact CB-CG 4.43Å; I734-E738 HydrophobicContact CG2-CG 4.24Å; I734-F739 HydrophobicContact CD1-CB 3.8Å; I734-F739 HydrophobicContact CD1-CD2 3.99Å; I734-F739 HydrophobicContact CD1-CG 4.37Å; I734-F739 HydrophobicContact CG1-CB 4.43Å; I734-V759 HydrophobicContact CD1-CG1 3.83Å; I734-L763 HydrophobicContact CD1-CD1 3.84Å; I734-L763 HydrophobicContact CG1-CD1 3.55Å; I734-V765 PolarHBondContact N-O 3.44Å; I734-V765 VanDerWaalsContact N-O 3.14Å; I734-L766 HydrophobicContact CD1-CD1 4.5Å; I734-L766 HydrophobicContact CG1-CD1 4.07Å; I734-L766 WeakPolarHBondContact O-CA 3.44Å; I734-A767 PolarHBondContact O-N 3Å
735E93.2Very high90.4Very high76 Ų7666.8 Ų66.836%0.35534%0.337SS..EExtended strand (participates in β ladder)trans-91.2155.4172.9-61.5-165.4146.700112.2V712 K737 E738 F739 A767 R768V712-E735 HydrophobicContact CB-CG 4Å; V712-E735 HydrophobicContact CG2-CG 4.42Å; E735-K737 VanDerWaalsContact C-N 3.26Å; E735-K737 PolarHBondContact O-N 3.39Å; E735-E738 PolarHBondContact O-N 2.99Å; E735-F739 PolarHBondContact O-N 3.29Å; E735-A767 CarbonylContact C-O 3.54Å; E735-A767 VanDerWaalsContact CA-O 3.26Å; E735-A767 WeakPolarHBondContact CA-O 3.36Å; E735-R768 HydrophobicContact CB-CB 4.42Å
736G89.1Confident89.9Confident2 Ų276.6 Ų76.62%0.02138%0.379CS..Hα-helixtrans-52-38.1179.300000114.5N740 A767G736-N740 PolarHBondContact O-N 3.17Å; G736-N740 PolarHBondContact O-ND2 3.16Å; G736-A767 PolarHBondContact N-O 3.07Å
737K90Very high89.6Confident181 Ų18176.6 Ų76.679%0.78740%0.395SS*.Hα-helixtrans-63.3-44.1175.8-172.7177.2-179.7-179.50112.1E735 R741E735-K737 VanDerWaalsContact C-N 3.26Å; E735-K737 PolarHBondContact O-N 3.39Å; K737-R741 PolarHBondContact O-N 3.47Å; K737-R741 VanDerWaalsContact O-N 3.11Å
738E93Very high89.5Confident41 Ų4174.6 Ų74.619%0.19238%0.38CS..Hα-helixtrans-72.4-38.7179.1176.561.8175.900111.9I734 E735 R741 R742I734-E738 HydrophobicContact CB-CG 4.43Å; I734-E738 HydrophobicContact CG2-CG 4.24Å; E735-E738 PolarHBondContact O-N 2.99Å; E738-R741 VanDerWaalsContact CD-NH2 3.25Å; E738-R741 PolarHBondContact O-N 2.97Å; E738-R741 IonicContact OE1-CZ 3.32Å; E738-R741 IonicContact OE1-NE 3.71Å; E738-R741 IonicContact OE1-NH2 3.88Å; E738-R741 PolarHBondContact OE1-NH2 3.44Å; E738-R741 IonicContact OE2-CZ 2.68Å; E738-R741 IonicContact OE2-NE 3.23Å; E738-R741 PolarHBondContact OE2-NE 2.92Å; E738-R741 IonicContact OE2-NH2 3.91Å; E738-R741 PolarHBondContact OE2-NH2 2.59Å; E738-R742 WeakPolarHBondContact O-CG 3.48Å; E738-R742 PolarHBondContact O-N 3.06Å; E738-R742 IonicContact OE1-CZ 2.93Å; E738-R742 VanDerWaalsContact OE1-CZ 3.23Å; E738-R742 IonicContact OE1-NE 3.43Å; E738-R742 PolarHBondContact OE1-NE 3.25Å; E738-R742 IonicContact OE1-NH2 3.76Å; E738-R742 PolarHBondContact OE1-NH2 2.72Å
739F94.3Very high89.4Confident0 Ų072.3 Ų72.30%036%0.357CS..Hα-helixtrans-56.1-51.2172.2173.1-115000111.6I734 E735 R741 R742 I743 F756 V759 L763 L766 D773 T776 L777I734-F739 HydrophobicContact CD1-CB 3.8Å; I734-F739 HydrophobicContact CD1-CD2 3.99Å; I734-F739 HydrophobicContact CD1-CG 4.37Å; I734-F739 HydrophobicContact CG1-CB 4.43Å; E735-F739 PolarHBondContact O-N 3.29Å; F739-R741 VanDerWaalsContact C-N 3.31Å; F739-R741 PolarHBondContact O-N 2.95Å; F739-R742 PolarHBondContact O-N 3.06Å; F739-I743 HydrophobicContact CD1-CD1 4.01Å; F739-I743 HydrophobicContact CD2-CD1 4.32Å; F739-I743 HydrophobicContact CD2-CG2 4.02Å; F739-I743 HydrophobicContact CE1-CD1 3.61Å; F739-I743 HydrophobicContact CE2-CD1 3.94Å; F739-I743 HydrophobicContact CE2-CG2 3.88Å; F739-I743 HydrophobicContact CG-CD1 4.37Å; F739-I743 HydrophobicContact CZ-CD1 3.58Å; F739-I743 WeakPolarHBondContact O-CG1 3.16Å; F739-I743 WeakPolarHBondContact O-CG2 3.38Å; F739-I743 PolarHBondContact O-N 2.79Å; F739-I743 VanDerWaalsContact O-N 3.11Å; F739-F756 HydrophobicContact CE2-CE2 4.13Å; F739-F756 AromaticContact CZ-CE2 3.91Å; F739-F756 HydrophobicContact CZ-CE2 3.91Å; F739-V759 HydrophobicContact CD2-CG1 4.24Å; F739-L763 HydrophobicContact CD2-CD2 4.4Å; F739-L763 HydrophobicContact CE2-CD2 4.24Å; F739-L766 HydrophobicContact CB-CD1 3.54Å; F739-L766 HydrophobicContact CD1-CD1 4.11Å; F739-L766 HydrophobicContact CD1-CD2 3.96Å; F739-L766 HydrophobicContact CD2-CD1 4.33Å; F739-L766 HydrophobicContact CE1-CD2 4.07Å; F739-L766 HydrophobicContact CG-CD1 3.76Å; F739-L766 HydrophobicContact CG-CD2 4.32Å; F739-D773 HydrophobicContact CD1-CB 4.35Å; F739-D773 HydrophobicContact CE1-CB 4.39Å; F739-T776 HydrophobicContact CE1-CG2 4.46Å; F739-L777 HydrophobicContact CE1-CB 4.38Å; F739-L777 HydrophobicContact CE2-CD1 4.13Å; F739-L777 HydrophobicContact CZ-CB 3.92Å; F739-L777 HydrophobicContact CZ-CD1 4.01Å
740N91.3Very high89.5Confident30 Ų3075.6 Ų75.616%0.1637%0.37CS..Hα-helixtrans-59.3-40.7175.2-81.9-76.6000112.6G736 R742 R744 D773G736-N740 PolarHBondContact O-N 3.17Å; G736-N740 PolarHBondContact O-ND2 3.16Å; N740-R742 VanDerWaalsContact C-N 3.32Å; N740-R742 PolarHBondContact O-N 2.87Å; N740-R744 VanDerWaalsContact O-CB 3.28Å; N740-R744 WeakPolarHBondContact O-CB 3.35Å; N740-R744 WeakPolarHBondContact O-CD 3.49Å; N740-R744 VanDerWaalsContact O-CG 3.24Å; N740-R744 WeakPolarHBondContact O-CG 3.48Å; N740-R744 PolarHBondContact O-N 2.85Å; N740-R744 VanDerWaalsContact OD1-CZ 3.3Å; N740-R744 PolarHBondContact OD1-NE 3.28Å; N740-R744 PolarHBondContact OD1-NH2 3.41Å; N740-D773 PolarHBondContact ND2-OD1 3.43Å
741R92.2Very high89.4Confident175 Ų17571.5 Ų71.566%0.6635%0.35SS*.Hα-helixtrans-62.6-36.3178.2-171177.770.7135.54.1112.6K737 E738 F739K737-R741 PolarHBondContact O-N 3.47Å; K737-R741 VanDerWaalsContact O-N 3.11Å; E738-R741 VanDerWaalsContact CD-NH2 3.25Å; E738-R741 PolarHBondContact O-N 2.97Å; E738-R741 IonicContact OE1-CZ 3.32Å; E738-R741 IonicContact OE1-NE 3.71Å; E738-R741 IonicContact OE1-NH2 3.88Å; E738-R741 PolarHBondContact OE1-NH2 3.44Å; E738-R741 IonicContact OE2-CZ 2.68Å; E738-R741 IonicContact OE2-NE 3.23Å; E738-R741 PolarHBondContact OE2-NE 2.92Å; E738-R741 IonicContact OE2-NH2 3.91Å; E738-R741 PolarHBondContact OE2-NH2 2.59Å; F739-R741 VanDerWaalsContact C-N 3.31Å; F739-R741 PolarHBondContact O-N 2.95Å
742R92.6Very high89.3Confident107 Ų10773.1 Ų73.140%0.40435%0.354SS..Hα-helixtrans-78.5-40.6-178.8-69.8-176.7-172.2-154.91.2113.6E738 F739 N740 L755 V759E738-R742 WeakPolarHBondContact O-CG 3.48Å; E738-R742 PolarHBondContact O-N 3.06Å; E738-R742 IonicContact OE1-CZ 2.93Å; E738-R742 VanDerWaalsContact OE1-CZ 3.23Å; E738-R742 IonicContact OE1-NE 3.43Å; E738-R742 PolarHBondContact OE1-NE 3.25Å; E738-R742 IonicContact OE1-NH2 3.76Å; E738-R742 PolarHBondContact OE1-NH2 2.72Å; F739-R742 PolarHBondContact O-N 3.06Å; N740-R742 VanDerWaalsContact C-N 3.32Å; N740-R742 PolarHBondContact O-N 2.87Å; R742-L755 WeakPolarHBondContact O-CB 3.39Å; R742-V759 HydrophobicContact CB-CG2 3.95Å
743I92.1Very high89Confident0 Ų074.2 Ų74.20%036%0.358CS..Hα-helixtrans-87.9-11.1-172.473.3-174.4000114F739 V751 R752 F756 V759 T776F739-I743 HydrophobicContact CD1-CD1 4.01Å; F739-I743 HydrophobicContact CD2-CD1 4.32Å; F739-I743 HydrophobicContact CD2-CG2 4.02Å; F739-I743 HydrophobicContact CE1-CD1 3.61Å; F739-I743 HydrophobicContact CE2-CD1 3.94Å; F739-I743 HydrophobicContact CE2-CG2 3.88Å; F739-I743 HydrophobicContact CG-CD1 4.37Å; F739-I743 HydrophobicContact CZ-CD1 3.58Å; F739-I743 WeakPolarHBondContact O-CG1 3.16Å; F739-I743 WeakPolarHBondContact O-CG2 3.38Å; F739-I743 PolarHBondContact O-N 2.79Å; F739-I743 VanDerWaalsContact O-N 3.11Å; I743-V751 HydrophobicContact CB-CG1 4.35Å; I743-V751 HydrophobicContact CD1-CG1 4.21Å; I743-V751 HydrophobicContact CD1-CG2 4.3Å; I743-V751 HydrophobicContact CG1-CG1 4.16Å; I743-V751 HydrophobicContact CG1-CG2 4.36Å; I743-V751 WeakPolarHBondContact O-CA 3.43Å; I743-R752 PolarHBondContact O-N 3.25Å; I743-F756 HydrophobicContact CB-CB 4.38Å; I743-F756 HydrophobicContact CB-CD2 4.2Å; I743-F756 HydrophobicContact CD1-CD2 4.22Å; I743-F756 HydrophobicContact CG2-CB 4.35Å; I743-F756 HydrophobicContact CG2-CD2 3.91Å; I743-V759 HydrophobicContact CG2-CB 4.43Å; I743-V759 HydrophobicContact CG2-CG2 4.33Å; I743-T776 HydrophobicContact CD1-CG2 3.69Å
744R90.5Very high88.7Confident80 Ų8076.7 Ų76.730%0.30237%0.371SS..BIsolated β-bridgetrans-100.6140.7-178.5-66.8173.8-174.5-89.60.6110.9N740 K746 G749 K750 V751N740-R744 VanDerWaalsContact O-CB 3.28Å; N740-R744 WeakPolarHBondContact O-CB 3.35Å; N740-R744 WeakPolarHBondContact O-CD 3.49Å; N740-R744 VanDerWaalsContact O-CG 3.24Å; N740-R744 WeakPolarHBondContact O-CG 3.48Å; N740-R744 PolarHBondContact O-N 2.85Å; N740-R744 VanDerWaalsContact OD1-CZ 3.3Å; N740-R744 PolarHBondContact OD1-NE 3.28Å; N740-R744 PolarHBondContact OD1-NH2 3.41Å; R744-K746 PolarHBondContact O-N 2.84Å; R744-G749 WeakPolarHBondContact CD-O 3.42Å; R744-G749 PolarHBondContact NH1-O 2.9Å; R744-K750 WeakPolarHBondContact CA-O 3.48Å; R744-V751 HydrophobicContact CG-CG2 4.14Å
745D86.6Confident88.4Confident30 Ų3078.1 Ų78.116%0.1638%0.378CS..  trans-65129.1167.7-173.9-16.2000110.2A747 T748 G749 K750 R752D745-A747 PolarHBondContact O-N 2.8Å; D745-A747 PolarHBondContact OD1-N 2.86Å; D745-T748 WeakPolarHBondContact CB-OG1 3.35Å; D745-T748 PolarHBondContact OD2-OG1 3.38Å; D745-G749 WeakPolarHBondContact O-CA 3.46Å; D745-G749 PolarHBondContact O-N 3.43Å; D745-K750 PolarHBondContact N-O 3.44Å; D745-R752 IonicContact OD1-NH2 2.83Å; D745-R752 PolarHBondContact OD1-NH2 2.92Å; D745-R752 IonicContact OD2-CZ 3.66Å; D745-R752 IonicContact OD2-NE 2.83Å; D745-R752 PolarHBondContact OD2-NE 3.19Å; D745-R752 IonicContact OD2-NH2 3.25Å; D745-R752 PolarHBondContact OD2-NH2 2.64Å
746K83Confident88.4Confident210 Ų21074.5 Ų74.591%0.91336%0.361SS*.THydrogen-bonded Turntrans-61.8-30.4177.8-67-178.2-178.41760112.6R744R744-K746 PolarHBondContact O-N 2.84Å
747A81.7Confident88.5Confident92 Ų9275.8 Ų75.876%0.7637%0.367SS*.THydrogen-bonded Turntrans-82.9-38.7-177.300000112.8D745D745-A747 PolarHBondContact O-N 2.8Å; D745-A747 PolarHBondContact OD1-N 2.86Å
748T82.4Confident88.5Confident82 Ų8273.9 Ų73.950%0.50336%0.362SS..THydrogen-bonded Turntrans-109.6-10.7-172.166.10000114.7D745 K750D745-T748 WeakPolarHBondContact CB-OG1 3.35Å; D745-T748 PolarHBondContact OD2-OG1 3.38Å; T748-K750 PolarHBondContact O-N 3.25Å
749G80.6Confident88.4Confident38 Ų3872.3 Ų72.339%0.39236%0.355SS..  trans64.8-3-175.500000115.1R744 D745R744-G749 WeakPolarHBondContact CD-O 3.42Å; R744-G749 PolarHBondContact NH1-O 2.9Å; D745-G749 WeakPolarHBondContact O-CA 3.46Å; D745-G749 PolarHBondContact O-N 3.43Å
750K86.1Confident88.3Confident155 Ų15572.9 Ų72.967%0.67436%0.357SS*.SBendtrans-81.9149-180-68.1174.8-174.9170.40110.2R744 D745 T748 R752R744-K750 WeakPolarHBondContact CA-O 3.48Å; D745-K750 PolarHBondContact N-O 3.44Å; T748-K750 PolarHBondContact O-N 3.25Å; K750-R752 PolarHBondContact O-N 2.97Å
751V85Confident88.3Confident59 Ų5975 Ų7536%0.35837%0.368SS..BIsolated β-bridgetrans-70.7126177-179.80000109I743 R744 F756 T776I743-V751 HydrophobicContact CB-CG1 4.35Å; I743-V751 HydrophobicContact CD1-CG1 4.21Å; I743-V751 HydrophobicContact CD1-CG2 4.3Å; I743-V751 HydrophobicContact CG1-CG1 4.16Å; I743-V751 HydrophobicContact CG1-CG2 4.36Å; I743-V751 WeakPolarHBondContact O-CA 3.43Å; R744-V751 HydrophobicContact CG-CG2 4.14Å; V751-F756 HydrophobicContact CG1-CD2 4.43Å; V751-T776 HydrophobicContact CG1-CG2 4.39Å; V751-T776 HydrophobicContact CG2-CG2 3.83Å
752R88Confident88.3Confident106 Ų10670.2 Ų70.240%0.436%0.355SS..  trans-106.5130.1179.3-137-160.4-90.4177.6-7.2109.4I743 D745 K750 D754 L755 F756I743-R752 PolarHBondContact O-N 3.25Å; D745-R752 IonicContact OD1-NH2 2.83Å; D745-R752 PolarHBondContact OD1-NH2 2.92Å; D745-R752 IonicContact OD2-CZ 3.66Å; D745-R752 IonicContact OD2-NE 2.83Å; D745-R752 PolarHBondContact OD2-NE 3.19Å; D745-R752 IonicContact OD2-NH2 3.25Å; D745-R752 PolarHBondContact OD2-NH2 2.64Å; K750-R752 PolarHBondContact O-N 2.97Å; R752-D754 VanDerWaalsContact CB-OD1 3.25Å; R752-D754 WeakPolarHBondContact CB-OD1 3.32Å; R752-D754 WeakPolarHBondContact CD-OD1 3.3Å; R752-D754 WeakPolarHBondContact CD-OD2 3.37Å; R752-D754 WeakPolarHBondContact CG-OD1 3.34Å; R752-D754 IonicContact NH1-OD2 2.78Å; R752-L755 HydrophobicContact CB-CB 4.38Å; R752-L755 HydrophobicContact CB-CD1 4.01Å; R752-L755 HydrophobicContact CB-CG 4.17Å; R752-L755 PolarHBondContact O-N 2.83Å; R752-F756 WeakPolarHBondContact O-CB 3.31Å; R752-F756 PolarHBondContact O-N 2.94Å
753Q87.6Confident88.4Confident62 Ų6265.1 Ų65.129%0.2934%0.336SS..Hα-helixtrans-72.6-32.4-167.9-172.76857.800113.1F756 D757 G780Q753-F756 PolarHBondContact O-N 3.47Å; Q753-D757 PolarHBondContact NE2-OD1 2.75Å; Q753-D757 VanDerWaalsContact O-CB 3.24Å; Q753-D757 WeakPolarHBondContact O-CB 3.37Å; Q753-D757 PolarHBondContact O-N 3.5Å; Q753-G780 PolarHBondContact NE2-O 3.06Å; Q753-G780 VanDerWaalsContact NE2-O 3.13Å
754D87.7Confident88.6Confident75 Ų7567.4 Ų67.440%0.40134%0.344SS..Hα-helixtrans-58.7-50.3170.455-42.8000112R752 F756 D757 Q758R752-D754 VanDerWaalsContact CB-OD1 3.25Å; R752-D754 WeakPolarHBondContact CB-OD1 3.32Å; R752-D754 WeakPolarHBondContact CD-OD1 3.3Å; R752-D754 WeakPolarHBondContact CD-OD2 3.37Å; R752-D754 WeakPolarHBondContact CG-OD1 3.34Å; R752-D754 IonicContact NH1-OD2 2.78Å; D754-F756 VanDerWaalsContact C-N 3.35Å; D754-D757 PolarHBondContact O-N 2.94Å; D754-Q758 PolarHBondContact O-N 2.82Å
755L90.1Very high88.8Confident40 Ų4063.6 Ų63.621%0.20933%0.33CS..Hα-helixtrans-66.3-38.5176.8-62.5179.3000111.6R742 R752 Q758R742-L755 WeakPolarHBondContact O-CB 3.39Å; R752-L755 HydrophobicContact CB-CB 4.38Å; R752-L755 HydrophobicContact CB-CD1 4.01Å; R752-L755 HydrophobicContact CB-CG 4.17Å; R752-L755 PolarHBondContact O-N 2.83Å; L755-Q758 PolarHBondContact O-N 3.26Å
756F92.8Very high89.3Confident0 Ų062.1 Ų62.10%032%0.322CS..Hα-helixtrans-60.9-45173.4-175.2-86000111.9F739 I743 V751 R752 Q753 D754 Q758 V759 W760 L777 G780 I781F739-F756 HydrophobicContact CE2-CE2 4.13Å; F739-F756 AromaticContact CZ-CE2 3.91Å; F739-F756 HydrophobicContact CZ-CE2 3.91Å; I743-F756 HydrophobicContact CB-CB 4.38Å; I743-F756 HydrophobicContact CB-CD2 4.2Å; I743-F756 HydrophobicContact CD1-CD2 4.22Å; I743-F756 HydrophobicContact CG2-CB 4.35Å; I743-F756 HydrophobicContact CG2-CD2 3.91Å; V751-F756 HydrophobicContact CG1-CD2 4.43Å; R752-F756 WeakPolarHBondContact O-CB 3.31Å; R752-F756 PolarHBondContact O-N 2.94Å; Q753-F756 PolarHBondContact O-N 3.47Å; D754-F756 VanDerWaalsContact C-N 3.35Å; F756-Q758 VanDerWaalsContact C-N 3.26Å; F756-Q758 PolarHBondContact O-N 3.4Å; F756-V759 PolarHBondContact O-N 2.69Å; F756-W760 HydrophobicContact CD1-CB 4.27Å; F756-W760 AromaticContact CD1-CD1 3.33Å; F756-W760 HydrophobicContact CD1-CG 4.04Å; F756-W760 HydrophobicContact CE1-CB 3.61Å; F756-W760 AromaticContact CE1-CD1 3.22Å; F756-W760 HydrophobicContact CE1-CD2 4.47Å; F756-W760 AromaticContact CE1-CG 3.5Å; F756-W760 HydrophobicContact CE1-CG 3.5Å; F756-W760 HydrophobicContact CZ-CB 3.9Å; F756-W760 HydrophobicContact CZ-CG 4.27Å; F756-W760 VanDerWaalsContact O-CD1 3.32Å; F756-W760 PolarHBondContact O-N 3.24Å; F756-W760 VanDerWaalsContact O-N 3.11Å; F756-L777 HydrophobicContact CE2-CD1 4.4Å; F756-L777 HydrophobicContact CZ-CD1 4.05Å; F756-L777 WeakPolarHBondContact CZ-O 3.36Å; F756-G780 VanDerWaalsContact CE1-CA 3.49Å; F756-G780 VanDerWaalsContact CZ-CA 3.46Å; F756-I781 HydrophobicContact CE1-CG1 4.1Å; F756-I781 HydrophobicContact CZ-CG1 4.03Å
757D91.1Very high89.7Confident28 Ų2852.1 Ų52.115%0.1528%0.279CS..Hα-helixtrans-64-26.8-177.2-80-0.8000113.1Q753 D754 V759 W760 I761 S784 A786Q753-D757 PolarHBondContact NE2-OD1 2.75Å; Q753-D757 VanDerWaalsContact O-CB 3.24Å; Q753-D757 WeakPolarHBondContact O-CB 3.37Å; Q753-D757 PolarHBondContact O-N 3.5Å; D754-D757 PolarHBondContact O-N 2.94Å; D757-V759 VanDerWaalsContact C-N 3.31Å; D757-V759 PolarHBondContact O-N 3.26Å; D757-W760 PolarHBondContact OD1-NE1 3.44Å; D757-I761 VanDerWaalsContact O-CD1 3.3Å; D757-I761 WeakPolarHBondContact O-CD1 3.23Å; D757-I761 WeakPolarHBondContact O-CG1 3.43Å; D757-S784 VanDerWaalsContact OD1-CB 3.22Å; D757-S784 WeakPolarHBondContact OD1-CB 3.48Å; D757-S784 PolarHBondContact OD1-OG 3.03Å; D757-S784 PolarHBondContact OD2-OG 3.44Å; D757-S784 VanDerWaalsContact OD2-OG 3.13Å; D757-A786 HydrophobicContact CB-CB 4.02Å; D757-A786 PolarHBondContact OD2-N 3.39Å
758Q89.4Confident89.9Confident142 Ų14254.5 Ų54.566%0.66427%0.268SS*.Hα-helixtrans-70-23.7170.7-64.4171.82100113.6D754 L755 F756D754-Q758 PolarHBondContact O-N 2.82Å; L755-Q758 PolarHBondContact O-N 3.26Å; F756-Q758 VanDerWaalsContact C-N 3.26Å; F756-Q758 PolarHBondContact O-N 3.4Å
759V91.9Very high90.1Very high8 Ų851.1 Ų51.15%0.04825%0.248CC..Hα-helixtrans-100-49.8-171.31780000112.5L732 I734 F739 R742 I743 F756 D757 I761 L763L732-V759 HydrophobicContact CD2-CG1 3.87Å; I734-V759 HydrophobicContact CD1-CG1 3.83Å; F739-V759 HydrophobicContact CD2-CG1 4.24Å; R742-V759 HydrophobicContact CB-CG2 3.95Å; I743-V759 HydrophobicContact CG2-CB 4.43Å; I743-V759 HydrophobicContact CG2-CG2 4.33Å; F756-V759 PolarHBondContact O-N 2.69Å; D757-V759 VanDerWaalsContact C-N 3.31Å; D757-V759 PolarHBondContact O-N 3.26Å; V759-I761 VanDerWaalsContact C-N 3.3Å; V759-I761 PolarHBondContact O-N 2.98Å; V759-L763 WeakPolarHBondContact O-CB 3.19Å; V759-L763 PolarHBondContact O-N 3.49Å; V759-L763 VanDerWaalsContact O-N 3.14Å
760W91.8Very high90.3Very high12 Ų1251.5 Ų51.55%0.04524%0.244CC..Hα-helixtrans-69.7-24.2-165.278.3-93.9000114.5R705 F756 D757 L763 L777 I781 S784 Q791R705-W760 PolarHBondContact NE-O 3.34Å; R705-W760 PolarHBondContact NH2-O 3.21Å; F756-W760 HydrophobicContact CD1-CB 4.27Å; F756-W760 AromaticContact CD1-CD1 3.33Å; F756-W760 HydrophobicContact CD1-CG 4.04Å; F756-W760 HydrophobicContact CE1-CB 3.61Å; F756-W760 AromaticContact CE1-CD1 3.22Å; F756-W760 HydrophobicContact CE1-CD2 4.47Å; F756-W760 AromaticContact CE1-CG 3.5Å; F756-W760 HydrophobicContact CE1-CG 3.5Å; F756-W760 HydrophobicContact CZ-CB 3.9Å; F756-W760 HydrophobicContact CZ-CG 4.27Å; F756-W760 VanDerWaalsContact O-CD1 3.32Å; F756-W760 PolarHBondContact O-N 3.24Å; F756-W760 VanDerWaalsContact O-N 3.11Å; D757-W760 PolarHBondContact OD1-NE1 3.44Å; W760-L763 PolarHBondContact O-N 3.16Å; W760-L777 HydrophobicContact CB-CD1 4.48Å; W760-I781 HydrophobicContact CB-CG1 4.14Å; W760-I781 HydrophobicContact CD2-CG1 3.96Å; W760-I781 HydrophobicContact CE3-CD1 4.3Å; W760-I781 HydrophobicContact CE3-CG1 3.82Å; W760-I781 HydrophobicContact CE3-CG2 4.08Å; W760-I781 HydrophobicContact CG-CG1 4.09Å; W760-I781 HydrophobicContact CZ3-CG2 4.04Å; W760-S784 WeakPolarHBondContact CZ2-OG 3.27Å; W760-S784 PolarHBondContact NE1-OG 3Å; W760-S784 VanDerWaalsContact NE1-OG 3.09Å; W760-Q791 HydrophobicContact CH2-CG 3.66Å; W760-Q791 HydrophobicContact CZ2-CG 4.35Å; W760-Q791 HydrophobicContact CZ3-CG 4.23Å
761I90.7Very high90.1Very high75 Ų7546.6 Ų46.639%0.38523%0.228SC..THydrogen-bonded Turntrans-60.1-51.8-178.6-62.3175000109.9R705 D757 V759 R764 A786R705-I761 PolarHBondContact NH2-O 3.21Å; D757-I761 VanDerWaalsContact O-CD1 3.3Å; D757-I761 WeakPolarHBondContact O-CD1 3.23Å; D757-I761 WeakPolarHBondContact O-CG1 3.43Å; V759-I761 VanDerWaalsContact C-N 3.3Å; V759-I761 PolarHBondContact O-N 2.98Å; I761-R764 PolarHBondContact O-NH1 2.8Å; I761-A786 HydrophobicContact CD1-CB 4.04Å
762N92.2Very high90.1Very high73 Ų7348.7 Ų48.739%0.3923%0.234SC..THydrogen-bonded Turntrans-87.4-17.7-179.1-64.5-16.2000112.8L732 R764L732-N762 HydrophobicContact CB-CB 4.13Å; L732-N762 PolarHBondContact N-O 3.48Å; N762-R764 PolarHBondContact O-N 3.08Å; N762-R764 PolarHBondContact O-NH1 2.66Å
763L95.1Very high90.2Very high1 Ų144.1 Ų44.11%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-55.3123.4176.7-172.859.3000111.6R705 I734 F739 V759 W760 V765 L777R705-L763 WeakPolarHBondContact CD-O 3.5Å; R705-L763 PolarHBondContact NE-O 3.47Å; I734-L763 HydrophobicContact CD1-CD1 3.84Å; I734-L763 HydrophobicContact CG1-CD1 3.55Å; F739-L763 HydrophobicContact CD2-CD2 4.4Å; F739-L763 HydrophobicContact CE2-CD2 4.24Å; V759-L763 WeakPolarHBondContact O-CB 3.19Å; V759-L763 PolarHBondContact O-N 3.49Å; V759-L763 VanDerWaalsContact O-N 3.14Å; W760-L763 PolarHBondContact O-N 3.16Å; L763-V765 WeakPolarHBondContact CD1-O 3.38Å; L763-L777 HydrophobicContact CD2-CD1 3.68Å; L763-L777 HydrophobicContact CD2-CD2 4.37Å
764R95.8Very high90.3Very high47 Ų4742.1 Ų42.118%0.17721%0.208CC..EExtended strand (participates in β ladder)trans-119.8-31.8173.4-66.8-64.1175.7-81.6-6.1112.9R705 M706 I724 I725 F731 L732 I761 N762R705-R764 CarbonylContact C-O 3.55Å; R705-R764 VanDerWaalsContact CA-O 3.31Å; R705-R764 WeakPolarHBondContact CA-O 3.47Å; M706-R764 PolarHBondContact N-O 3.29Å; I724-R764 HydrophobicContact CG2-CB 4.31Å; I725-R764 HydrophobicContact CG2-CB 3.62Å; I725-R764 HydrophobicContact CG2-CG 4.04Å; F731-R764 HydrophobicContact CB-CB 4.27Å; F731-R764 HydrophobicContact CB-CG 3.68Å; L732-R764 PolarHBondContact O-N 3.09Å; I761-R764 PolarHBondContact O-NH1 2.8Å; N762-R764 PolarHBondContact O-N 3.08Å; N762-R764 PolarHBondContact O-NH1 2.66Å
765V96Very high90.5Very high0 Ų042.6 Ų42.60%021%0.205CC..EExtended strand (participates in β ladder)trans-132.9122.8178.7-175.60000110M706 A715 A719 L732 V733 I734 L763M706-V765 HydrophobicContact CB-CG1 4.46Å; M706-V765 HydrophobicContact CB-CG2 4.4Å; M706-V765 WeakPolarHBondContact O-CA 3.21Å; M706-V765 HydrophobicContact SD-CG1 4.4Å; A715-V765 HydrophobicContact CB-CG1 3.73Å; A719-V765 HydrophobicContact CB-CG2 3.51Å; L732-V765 PolarHBondContact O-N 3.46Å; V733-V765 WeakPolarHBondContact CA-O 3.27Å; V733-V765 HydrophobicContact CB-CB 4.36Å; V733-V765 HydrophobicContact CG1-CB 4.03Å; V733-V765 HydrophobicContact CG1-CG1 4.29Å; V733-V765 HydrophobicContact CG2-CB 3.99Å; V733-V765 HydrophobicContact CG2-CG2 4.07Å; I734-V765 PolarHBondContact N-O 3.44Å; I734-V765 VanDerWaalsContact N-O 3.14Å; L763-V765 WeakPolarHBondContact CD1-O 3.38Å
766L95.6Very high90.6Very high0 Ų041.3 Ų41.30%020%0.198CC..EExtended strand (participates in β ladder)trans-110.1101.8167.9-176.563.6000108.6M706 V707 T708 I734 F739 D773 L777M706-L766 PolarHBondContact O-N 2.94Å; V707-L766 WeakPolarHBondContact CA-O 3.47Å; V707-L766 HydrophobicContact CG1-CB 4.29Å; V707-L766 HydrophobicContact CG1-CD2 4.14Å; T708-L766 PolarHBondContact N-O 3.4Å; I734-L766 HydrophobicContact CD1-CD1 4.5Å; I734-L766 HydrophobicContact CG1-CD1 4.07Å; I734-L766 WeakPolarHBondContact O-CA 3.44Å; F739-L766 HydrophobicContact CB-CD1 3.54Å; F739-L766 HydrophobicContact CD1-CD1 4.11Å; F739-L766 HydrophobicContact CD1-CD2 3.96Å; F739-L766 HydrophobicContact CD2-CD1 4.33Å; F739-L766 HydrophobicContact CE1-CD2 4.07Å; F739-L766 HydrophobicContact CG-CD1 3.76Å; F739-L766 HydrophobicContact CG-CD2 4.32Å; L766-D773 HydrophobicContact CD2-CB 4.28Å; L766-L777 HydrophobicContact CD2-CD2 4.11Å
767A91.5Very high90.7Very high0 Ų041.3 Ų41.30%020%0.199CC..EExtended strand (participates in β ladder)trans-92.6165.9179.800000111.6T708 V712 A715 I734 E735 G736 S769T708-A767 CarbonylContact O-C 3.57Å; T708-A767 VanDerWaalsContact O-C 3.28Å; T708-A767 WeakPolarHBondContact O-CA 3.2Å; V712-A767 HydrophobicContact CB-CB 4.04Å; V712-A767 HydrophobicContact CG2-CB 4.31Å; A715-A767 HydrophobicContact CB-CB 3.95Å; I734-A767 PolarHBondContact O-N 3Å; E735-A767 CarbonylContact C-O 3.54Å; E735-A767 VanDerWaalsContact CA-O 3.26Å; E735-A767 WeakPolarHBondContact CA-O 3.36Å; G736-A767 PolarHBondContact N-O 3.07Å; A767-S769 PolarHBondContact O-N 2.93Å
768R86.9Confident90.8Very high141 Ų14140.1 Ų40.153%0.53219%0.192SC..SBendtrans46.334.8-175.6-63.8-58.3-161.3-172.15.7113.2T708 G709 D710 E735T708-R768 PolarHBondContact O-N 3.27Å; G709-R768 WeakPolarHBondContact O-CD 3.37Å; G709-R768 PolarHBondContact O-NH1 2.79Å; G709-R768 VanDerWaalsContact O-NH1 3.16Å; D710-R768 WeakPolarHBondContact O-CD 3.47Å; D710-R768 PolarHBondContact O-N 3.2Å; E735-R768 HydrophobicContact CB-CB 4.42Å
769S87.2Confident90.9Very high12 Ų1234 Ų348%0.08417%0.165CC..  trans-76.2129.8-175.470.70000111.2T708 A767T708-S769 VanDerWaalsContact C-OG 3.29Å; T708-S769 PolarHBondContact N-OG 3.29Å; T708-S769 PolarHBondContact O-N 3.16Å; T708-S769 PolarHBondContact O-OG 3.09Å; A767-S769 PolarHBondContact O-N 2.93Å
770S83.7Confident90.9Very high46 Ų4633.9 Ų33.932%0.32217%0.165SC..  trans-75162164.572.80000111.3Q772 D773 K774S770-Q772 PolarHBondContact O-N 2.82Å; S770-D773 WeakPolarHBondContact CB-OD2 3.21Å; S770-D773 PolarHBondContact N-OD2 3.36Å; S770-D773 WeakPolarHBondContact O-CB 3.19Å; S770-D773 PolarHBondContact O-N 3.24Å; S770-D773 PolarHBondContact OG-N 3.46Å; S770-D773 PolarHBondContact OG-OD1 2.89Å; S770-D773 PolarHBondContact OG-OD2 2.9Å; S770-K774 PolarHBondContact O-N 2.97Å
771P81.6Confident91Very high51 Ų5133.3 Ų33.333%0.33116%0.163SC..Hα-helixtrans-52-38.7171.8-28.436.7000113D773 K774 Y775 N801P771-D773 VanDerWaalsContact C-N 3.31Å; P771-D773 PolarHBondContact O-N 2.97Å; P771-K774 WeakPolarHBondContact O-CB 3.42Å; P771-K774 PolarHBondContact O-N 3.5Å; P771-Y775 PolarHBondContact O-N 3.02Å; P771-Y775 VanDerWaalsContact O-N 3.11Å; P771-N801 HydrophobicContact CB-CB 4.47Å; P771-N801 WeakPolarHBondContact CB-O 3.35Å; P771-N801 HydrophobicContact CG-CB 3.89Å
772Q84.6Confident91Very high104 Ų10430 Ų3049%0.48615%0.147SC..Hα-helixtrans-68.2-30.1178.8-171.956.346.100112.3S770 T776S770-Q772 PolarHBondContact O-N 2.82Å; Q772-T776 VanDerWaalsContact O-CB 3.29Å; Q772-T776 WeakPolarHBondContact O-CB 3.44Å; Q772-T776 PolarHBondContact O-N 3.34Å; Q772-T776 PolarHBondContact O-OG1 3.38Å
773D90.5Very high90.8Very high10 Ų1030.9 Ų30.95%0.05315%0.151CC..Hα-helixtrans-71.5-40.5176.1-56-32.7000110.9F739 N740 L766 S770 P771 T776 L777F739-D773 HydrophobicContact CD1-CB 4.35Å; F739-D773 HydrophobicContact CE1-CB 4.39Å; N740-D773 PolarHBondContact ND2-OD1 3.43Å; L766-D773 HydrophobicContact CD2-CB 4.28Å; S770-D773 WeakPolarHBondContact CB-OD2 3.21Å; S770-D773 PolarHBondContact N-OD2 3.36Å; S770-D773 WeakPolarHBondContact O-CB 3.19Å; S770-D773 PolarHBondContact O-N 3.24Å; S770-D773 PolarHBondContact OG-N 3.46Å; S770-D773 PolarHBondContact OG-OD1 2.89Å; S770-D773 PolarHBondContact OG-OD2 2.9Å; P771-D773 VanDerWaalsContact C-N 3.31Å; P771-D773 PolarHBondContact O-N 2.97Å; D773-T776 PolarHBondContact O-N 3.45Å; D773-L777 WeakPolarHBondContact O-CB 3.39Å; D773-L777 PolarHBondContact O-N 3.23Å
774K90.7Very high90.5Very high20 Ų2031.1 Ų31.19%0.08715%0.153CC..Hα-helixtrans-56.9-51.5172.3-52.4-155.6176.4-174.80110.7D462 V707 S770 P771 T776 L777 V778 D802 A805D462-K774 IonicContact OD1-NZ 3.17Å; D462-K774 PolarHBondContact OD1-NZ 2.8Å; V707-K774 HydrophobicContact CG1-CB 4.38Å; V707-K774 HydrophobicContact CG1-CD 4.04Å; V707-K774 HydrophobicContact CG1-CG 3.68Å; S770-K774 PolarHBondContact O-N 2.97Å; P771-K774 WeakPolarHBondContact O-CB 3.42Å; P771-K774 PolarHBondContact O-N 3.5Å; K774-T776 VanDerWaalsContact C-N 3.31Å; K774-T776 PolarHBondContact O-N 3.13Å; K774-L777 PolarHBondContact O-N 2.81Å; K774-V778 VanDerWaalsContact O-CG2 3.29Å; K774-V778 WeakPolarHBondContact O-CG2 3.41Å; K774-V778 PolarHBondContact O-N 3.35Å; K774-D802 WeakPolarHBondContact CD-OD1 3.44Å; K774-D802 WeakPolarHBondContact CE-OD1 3.48Å; K774-D802 IonicContact NZ-OD1 3.38Å; K774-D802 PolarHBondContact NZ-OD1 2.96Å; K774-A805 HydrophobicContact CB-CB 3.84Å
775Y90.8Very high89.9Confident85 Ų8539.8 Ų39.833%0.33319%0.185SC..Hα-helixtrans-58.7-41.4176.6175.6-87.8000112.7P771 S779 P804 R808P771-Y775 PolarHBondContact O-N 3.02Å; P771-Y775 VanDerWaalsContact O-N 3.11Å; Y775-S779 WeakPolarHBondContact CE1-OG 3.42Å; Y775-S779 WeakPolarHBondContact O-CB 3.3Å; Y775-S779 PolarHBondContact O-N 2.81Å; Y775-S779 PolarHBondContact O-OG 3.22Å; Y775-P804 HydrophobicContact CD2-CB 4.28Å; Y775-P804 WeakPolarHBondContact CD2-O 3.34Å; Y775-R808 HydrophobicContact CD2-CB 3.83Å; Y775-R808 HydrophobicContact CD2-CG 3.93Å; Y775-R808 HydrophobicContact CE2-CB 3.69Å; Y775-R808 HydrophobicContact CE2-CG 3.59Å
776T92.6Very high89.3Confident12 Ų1242.3 Ų42.37%0.07421%0.207CC..Hα-helixtrans-67.4-45-179-59.30000111.2F739 I743 V751 Q772 D773 K774 S779 G780F739-T776 HydrophobicContact CE1-CG2 4.46Å; I743-T776 HydrophobicContact CD1-CG2 3.69Å; V751-T776 HydrophobicContact CG1-CG2 4.39Å; V751-T776 HydrophobicContact CG2-CG2 3.83Å; Q772-T776 VanDerWaalsContact O-CB 3.29Å; Q772-T776 WeakPolarHBondContact O-CB 3.44Å; Q772-T776 PolarHBondContact O-N 3.34Å; Q772-T776 PolarHBondContact O-OG1 3.38Å; D773-T776 PolarHBondContact O-N 3.45Å; K774-T776 VanDerWaalsContact C-N 3.31Å; K774-T776 PolarHBondContact O-N 3.13Å; T776-S779 PolarHBondContact O-N 2.79Å; T776-G780 PolarHBondContact O-N 2.92Å
777L94.4Very high88.6Confident1 Ų143.4 Ų43.41%0.00522%0.216CC..Hα-helixtrans-59.1-51.5175.2179.564.3000111.4V707 F739 F756 W760 L763 L766 D773 K774 S779 G780 I781V707-L777 HydrophobicContact CG2-CD2 3.65Å; F739-L777 HydrophobicContact CE1-CB 4.38Å; F739-L777 HydrophobicContact CE2-CD1 4.13Å; F739-L777 HydrophobicContact CZ-CB 3.92Å; F739-L777 HydrophobicContact CZ-CD1 4.01Å; F756-L777 HydrophobicContact CE2-CD1 4.4Å; F756-L777 HydrophobicContact CZ-CD1 4.05Å; F756-L777 WeakPolarHBondContact CZ-O 3.36Å; W760-L777 HydrophobicContact CB-CD1 4.48Å; L763-L777 HydrophobicContact CD2-CD1 3.68Å; L763-L777 HydrophobicContact CD2-CD2 4.37Å; L766-L777 HydrophobicContact CD2-CD2 4.11Å; D773-L777 WeakPolarHBondContact O-CB 3.39Å; D773-L777 PolarHBondContact O-N 3.23Å; K774-L777 PolarHBondContact O-N 2.81Å; L777-S779 PolarHBondContact O-N 2.78Å; L777-G780 PolarHBondContact O-N 2.85Å; L777-I781 HydrophobicContact CD1-CD1 3.84Å; L777-I781 HydrophobicContact CD1-CG1 4.28Å; L777-I781 HydrophobicContact CG-CD1 3.98Å; L777-I781 VanDerWaalsContact O-CG1 3.32Å; L777-I781 WeakPolarHBondContact O-CG1 3.33Å; L777-I781 PolarHBondContact O-N 2.82Å
778V93.6Very high87.8Confident3 Ų349.1 Ų49.12%0.01825%0.253CS..Hα-helixtrans-62.3-45.4-179.8174.40000111K774 G780 I782 V793 V795 R808 A809K774-V778 VanDerWaalsContact O-CG2 3.29Å; K774-V778 WeakPolarHBondContact O-CG2 3.41Å; K774-V778 PolarHBondContact O-N 3.35Å; V778-G780 PolarHBondContact O-N 3.13Å; V778-I782 HydrophobicContact CG1-CD1 3.86Å; V778-I782 WeakPolarHBondContact O-CB 3.32Å; V778-I782 VanDerWaalsContact O-CG1 3.29Å; V778-I782 WeakPolarHBondContact O-CG1 3.48Å; V778-I782 PolarHBondContact O-N 3.23Å; V778-I782 VanDerWaalsContact O-N 3.12Å; V778-V793 HydrophobicContact CG1-CG1 4.18Å; V778-V793 HydrophobicContact CG2-CG1 4.47Å; V778-V795 HydrophobicContact CB-CG2 4.36Å; V778-V795 HydrophobicContact CG1-CG2 3.9Å; V778-V795 HydrophobicContact CG2-CG2 3.45Å; V778-V795 VanDerWaalsContact CG2-CG2 3.45Å; V778-R808 HydrophobicContact CG1-CB 4.47Å; V778-R808 HydrophobicContact CG1-CG 4.19Å; V778-A809 HydrophobicContact CG1-CB 4.38Å
779S92.1Very high87.4Confident13 Ų1344.3 Ų44.39%0.09124%0.241CC..Hα-helixtrans-60.5-44.1176.5-69.40000112.9Y775 T776 L777 N783 R808Y775-S779 WeakPolarHBondContact CE1-OG 3.42Å; Y775-S779 WeakPolarHBondContact O-CB 3.3Å; Y775-S779 PolarHBondContact O-N 2.81Å; Y775-S779 PolarHBondContact O-OG 3.22Å; T776-S779 PolarHBondContact O-N 2.79Å; L777-S779 PolarHBondContact O-N 2.78Å; S779-N783 WeakPolarHBondContact O-CB 3.45Å; S779-N783 PolarHBondContact O-N 3.02Å; S779-N783 VanDerWaalsContact O-N 3.1Å; S779-N783 PolarHBondContact O-ND2 2.85Å; S779-R808 WeakPolarHBondContact OG-CD 3.45Å; S779-R808 VanDerWaalsContact OG-CG 3.31Å; S779-R808 WeakPolarHBondContact OG-CG 3.35Å; S779-R808 PolarHBondContact OG-NE 2.8Å
780G92.2Very high87.2Confident5 Ų548.4 Ų48.45%0.05225%0.254CS..Hα-helixtrans-69-40.1-17800000112.8Q753 F756 T776 L777 V778 N783 S784Q753-G780 PolarHBondContact NE2-O 3.06Å; Q753-G780 VanDerWaalsContact NE2-O 3.13Å; F756-G780 VanDerWaalsContact CE1-CA 3.49Å; F756-G780 VanDerWaalsContact CZ-CA 3.46Å; T776-G780 PolarHBondContact O-N 2.92Å; L777-G780 PolarHBondContact O-N 2.85Å; V778-G780 PolarHBondContact O-N 3.13Å; G780-N783 PolarHBondContact O-N 2.92Å; G780-S784 WeakPolarHBondContact O-CB 3.48Å; G780-S784 PolarHBondContact O-N 2.76Å
781I93.5Very high87.5Confident0 Ų047.3 Ų47.30%024%0.244CC..Hα-helixtrans-65.3-42.9175.7-62.9168000110.4F756 W760 L777 N783 S784 Q791 V793F756-I781 HydrophobicContact CE1-CG1 4.1Å; F756-I781 HydrophobicContact CZ-CG1 4.03Å; W760-I781 HydrophobicContact CB-CG1 4.14Å; W760-I781 HydrophobicContact CD2-CG1 3.96Å; W760-I781 HydrophobicContact CE3-CD1 4.3Å; W760-I781 HydrophobicContact CE3-CG1 3.82Å; W760-I781 HydrophobicContact CE3-CG2 4.08Å; W760-I781 HydrophobicContact CG-CG1 4.09Å; W760-I781 HydrophobicContact CZ3-CG2 4.04Å; L777-I781 HydrophobicContact CD1-CD1 3.84Å; L777-I781 HydrophobicContact CD1-CG1 4.28Å; L777-I781 HydrophobicContact CG-CD1 3.98Å; L777-I781 VanDerWaalsContact O-CG1 3.32Å; L777-I781 WeakPolarHBondContact O-CG1 3.33Å; L777-I781 PolarHBondContact O-N 2.82Å; I781-N783 VanDerWaalsContact C-N 3.27Å; I781-N783 PolarHBondContact O-N 3.38Å; I781-S784 PolarHBondContact O-N 3.39Å; I781-Q791 HydrophobicContact CG2-CB 3.73Å; I781-Q791 HydrophobicContact CG2-CG 3.97Å; I781-V793 HydrophobicContact CB-CG2 3.88Å; I781-V793 HydrophobicContact CG2-CG2 3.4Å
782I90Very high88Confident7 Ų745.1 Ų45.14%0.03623%0.23CC..Hα-helixtrans-61-36.2177.7-75.3172000112.3V778 R790 V793 R808V778-I782 HydrophobicContact CG1-CD1 3.86Å; V778-I782 WeakPolarHBondContact O-CB 3.32Å; V778-I782 VanDerWaalsContact O-CG1 3.29Å; V778-I782 WeakPolarHBondContact O-CG1 3.48Å; V778-I782 PolarHBondContact O-N 3.23Å; V778-I782 VanDerWaalsContact O-N 3.12Å; I782-R790 PolarHBondContact O-NE 2.78Å; I782-V793 HydrophobicContact CD1-CB 4.33Å; I782-V793 HydrophobicContact CG1-CB 4Å; I782-V793 HydrophobicContact CG1-CG2 3.69Å; I782-R808 VanDerWaalsContact CD1-O 3.24Å; I782-R808 WeakPolarHBondContact CD1-O 3.26Å
783N88.5Confident88.5Confident91 Ų9140.1 Ų40.149%0.48721%0.207SC..Hα-helixtrans-89.2-16.2-177.4-68-9.4000113.6S779 G780 I781 R808S779-N783 WeakPolarHBondContact O-CB 3.45Å; S779-N783 PolarHBondContact O-N 3.02Å; S779-N783 VanDerWaalsContact O-N 3.1Å; S779-N783 PolarHBondContact O-ND2 2.85Å; G780-N783 PolarHBondContact O-N 2.92Å; I781-N783 VanDerWaalsContact C-N 3.27Å; I781-N783 PolarHBondContact O-N 3.38Å; N783-R808 PolarHBondContact OD1-NH2 2.9Å
784S88.7Confident88.7Confident6 Ų639.7 Ų39.74%0.04220%0.204CC..  trans-58.5146.4-176.6-177.30000113.1D757 W760 G780 I781 A786D757-S784 VanDerWaalsContact OD1-CB 3.22Å; D757-S784 WeakPolarHBondContact OD1-CB 3.48Å; D757-S784 PolarHBondContact OD1-OG 3.03Å; D757-S784 PolarHBondContact OD2-OG 3.44Å; D757-S784 VanDerWaalsContact OD2-OG 3.13Å; W760-S784 WeakPolarHBondContact CZ2-OG 3.27Å; W760-S784 PolarHBondContact NE1-OG 3Å; W760-S784 VanDerWaalsContact NE1-OG 3.09Å; G780-S784 WeakPolarHBondContact O-CB 3.48Å; G780-S784 PolarHBondContact O-N 2.76Å; I781-S784 PolarHBondContact O-N 3.39Å; S784-A786 PolarHBondContact OG-N 3.24Å
785R83.9Confident88.9Confident228 Ų22839 Ų3986%0.8620%0.202SC*.  trans-121.73.7175.4-61.4-173.5-177.3-177.83.8113.5A787R785-A787 VanDerWaalsContact C-N 3.28Å; R785-A787 PolarHBondContact O-N 3.39Å
786A83.7Confident89.1Confident54 Ų5435.1 Ų35.145%0.44619%0.187SC..SBendtrans-61.6-36176.800000112.6D757 I761 S784D757-A786 HydrophobicContact CB-CB 4.02Å; D757-A786 PolarHBondContact OD2-N 3.39Å; I761-A786 HydrophobicContact CD1-CB 4.04Å; S784-A786 PolarHBondContact OG-N 3.24Å
787A79.7Confident88.8Confident23 Ų2334.5 Ų34.519%0.1918%0.183CC..SBendtrans-79.4148.3174.700000112.2R785 S789 Q791R785-A787 VanDerWaalsContact C-N 3.28Å; R785-A787 PolarHBondContact O-N 3.39Å; A787-S789 WeakPolarHBondContact CB-O 3.42Å; A787-S789 PolarHBondContact O-N 3.15Å; A787-Q791 HydrophobicContact CB-CG 4.5Å; A787-Q791 VanDerWaalsContact CB-NE2 3.28Å
788P74.3Confident88.2Confident120 Ų12035.5 Ų35.578%0.77919%0.189SC*.SBendtrans-58.7-23.7179.6-25.134.2000114.9
789S78.2Confident87.3Confident40 Ų4036 Ų3628%0.2819%0.194SC..SBendtrans-126.7145.517651.90000110.4A787 Q791A787-S789 WeakPolarHBondContact CB-O 3.42Å; A787-S789 PolarHBondContact O-N 3.15Å; S789-Q791 PolarHBondContact O-N 2.82Å; S789-Q791 PolarHBondContact O-NE2 3.01Å; S789-Q791 VanDerWaalsContact O-NE2 3.09Å
790R85.1Confident86.5Confident97 Ų9735.7 Ų35.737%0.36619%0.192SC..  trans-54.9130.5169.1172.2175.7171-127.7-24.5109.2I782 D810 R920I782-R790 PolarHBondContact O-NE 2.78Å; R790-D810 IonicContact CZ-OD1 3.75Å; R790-D810 IonicContact CZ-OD2 3.43Å; R790-D810 IonicContact NH1-OD1 2.78Å; R790-D810 IonicContact NH2-OD1 2.8Å; R790-D810 PolarHBondContact NH2-OD1 3.4Å; R790-D810 IonicContact NH2-OD2 3.18Å; R790-D810 PolarHBondContact NH2-OD2 3.47Å; R790-R920 VanDerWaalsContact NH1-NH1 3.18Å
791Q89.4Confident85.7Confident23 Ų2339.7 Ų39.711%0.10721%0.212CC..  trans-69.8148.5176.2-59.4-57.8-68.100111.4T457 W760 I781 A787 S789 V793T457-Q791 VanDerWaalsContact CB-OE1 3.26Å; T457-Q791 WeakPolarHBondContact OG1-CA 3.45Å; T457-Q791 PolarHBondContact OG1-OE1 3.33Å; W760-Q791 HydrophobicContact CH2-CG 3.66Å; W760-Q791 HydrophobicContact CZ2-CG 4.35Å; W760-Q791 HydrophobicContact CZ3-CG 4.23Å; I781-Q791 HydrophobicContact CG2-CB 3.73Å; I781-Q791 HydrophobicContact CG2-CG 3.97Å; A787-Q791 HydrophobicContact CB-CG 4.5Å; A787-Q791 VanDerWaalsContact CB-NE2 3.28Å; S789-Q791 PolarHBondContact O-N 2.82Å; S789-Q791 PolarHBondContact O-NE2 3.01Å; S789-Q791 VanDerWaalsContact O-NE2 3.09Å; Q791-V793 HydrophobicContact CB-CG2 4.45Å
792V91.6Very high85.2Confident5 Ų539.9 Ų39.93%0.0321%0.213CC..  trans-114.9112.7172.5178.50000106.5T452 N455 T457 A458 D810 R920T452-V792 HydrophobicContact CG2-CG1 3.85Å; N455-V792 HydrophobicContact CB-CG2 4.28Å; N455-V792 WeakPolarHBondContact O-CB 3.38Å; T457-V792 PolarHBondContact N-O 2.95Å; T457-V792 PolarHBondContact OG1-N 3.27Å; T457-V792 VanDerWaalsContact OG1-N 3.07Å; T457-V792 PolarHBondContact OG1-O 2.95Å; A458-V792 PolarHBondContact N-O 3.1Å; V792-D810 HydrophobicContact CG1-CB 3.75Å; V792-R920 HydrophobicContact CG2-CG 4.21Å
793V94.3Very high84.7Confident0 Ų039.9 Ų39.90%021%0.214CC..EExtended strand (participates in β ladder)trans-104.5116.2-169.8-174.20000109.9V778 I781 I782 Q791 V795 D810 V811V778-V793 HydrophobicContact CG1-CG1 4.18Å; V778-V793 HydrophobicContact CG2-CG1 4.47Å; I781-V793 HydrophobicContact CB-CG2 3.88Å; I781-V793 HydrophobicContact CG2-CG2 3.4Å; I782-V793 HydrophobicContact CD1-CB 4.33Å; I782-V793 HydrophobicContact CG1-CB 4Å; I782-V793 HydrophobicContact CG1-CG2 3.69Å; Q791-V793 HydrophobicContact CB-CG2 4.45Å; V793-V795 HydrophobicContact CG1-CG2 4.17Å; V793-D810 PolarHBondContact N-OD2 2.68Å; V793-D810 PolarHBondContact O-N 3.02Å; V793-V811 PolarHBondContact O-N 3.42Å
794A95.7Very high84.6Confident1 Ų138.8 Ų38.81%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-89.3145164.100000110.1M453 A458 I459 C460 V811 F813M453-A794 HydrophobicContact CE-CB 3.84Å; M453-A794 HydrophobicContact SD-CB 3.79Å; A458-A794 PolarHBondContact O-N 3.5Å; I459-A794 CarbonylContact C-O 3.5Å; I459-A794 WeakPolarHBondContact CA-O 3.39Å; I459-A794 HydrophobicContact CG1-CB 4.09Å; C460-A794 PolarHBondContact N-O 3.35Å; A794-V811 CarbonylContact C-O 3.56Å; A794-V811 WeakPolarHBondContact CA-O 3.44Å; A794-V811 HydrophobicContact CB-CB 4.46Å; A794-F813 HydrophobicContact CB-CD2 4.43Å; A794-F813 HydrophobicContact CB-CE2 4.11Å
795V95.5Very high84.6Confident6 Ų638.5 Ų38.54%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-129.3139.4178.4179.50000109.1C460 V778 V793 A805 L806 A809 V811 F813C460-V795 HydrophobicContact CB-CG2 4.34Å; C460-V795 VanDerWaalsContact O-CA 3.3Å; C460-V795 WeakPolarHBondContact O-CA 3.49Å; V778-V795 HydrophobicContact CB-CG2 4.36Å; V778-V795 HydrophobicContact CG1-CG2 3.9Å; V778-V795 HydrophobicContact CG2-CG2 3.45Å; V778-V795 VanDerWaalsContact CG2-CG2 3.45Å; V793-V795 HydrophobicContact CG1-CG2 4.17Å; V795-A805 HydrophobicContact CG1-CB 4.29Å; V795-L806 HydrophobicContact CB-CD2 4.27Å; V795-L806 HydrophobicContact CG1-CD2 4.03Å; V795-L806 HydrophobicContact CG1-CG 4.47Å; V795-L806 WeakPolarHBondContact O-CD2 3.49Å; V795-A809 HydrophobicContact CB-CB 3.99Å; V795-A809 HydrophobicContact CG2-CB 3.56Å; V795-V811 PolarHBondContact N-O 3.18Å; V795-F813 PolarHBondContact O-N 2.78Å
796T93.8Very high84.8Confident2 Ų227.7 Ų27.71%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-110.1151.4168.182.30000110.7I459 C460 S461 D462 T466 F813 I839I459-T796 HydrophobicContact CG2-CG2 4.38Å; C460-T796 PolarHBondContact O-N 3.09Å; S461-T796 VanDerWaalsContact CA-OG1 3.3Å; S461-T796 WeakPolarHBondContact CA-OG1 3.33Å; S461-T796 PolarHBondContact OG-OG1 3.39Å; D462-T796 PolarHBondContact N-OG1 3.49Å; T466-T796 HydrophobicContact CG2-CG2 4.18Å; T466-T796 WeakPolarHBondContact CG2-OG1 3.49Å; T466-T796 PolarHBondContact OG1-OG1 2.82Å; T796-F813 WeakPolarHBondContact CA-O 3.46Å; T796-F813 HydrophobicContact CG2-CB 4.19Å; T796-I839 HydrophobicContact CG2-CD1 3.54Å
797G86.3Confident85Confident0 Ų029.4 Ų29.40%017%0.167CC..EExtended strand (participates in β ladder)trans-166.2162.2173.300000112.8D802 F813 A814 M815G797-D802 WeakPolarHBondContact CA-OD2 3.06Å; G797-F813 PolarHBondContact N-O 3.46Å; G797-A814 WeakPolarHBondContact O-CA 3.34Å; G797-M815 PolarHBondContact O-N 3.36Å
798D82.8Confident85.5Confident22 Ų2230.9 Ų30.912%0.11817%0.168CC..  trans-127.3-33.9176.771.4-21.7000112.3D802 M815 T820 A823D798-D802 PolarHBondContact N-OD2 3.02Å; D798-D802 VanDerWaalsContact N-OD2 3.15Å; D798-M815 HydrophobicContact CB-CB 4.16Å; D798-M815 HydrophobicContact CB-CG 3.88Å; D798-T820 WeakPolarHBondContact O-CB 3.43Å; D798-T820 PolarHBondContact O-N 3.34Å; D798-T820 PolarHBondContact O-OG1 3.08Å; D798-A823 WeakPolarHBondContact O-CB 3.43Å
799G74Confident86.4Confident13 Ų1326 Ų2613%0.13414%0.137CC..SBendtrans-86.2161.8-179.200000114.9N801 D802G799-N801 PolarHBondContact O-N 2.79Å; G799-N801 VanDerWaalsContact O-N 3.17Å; G799-D802 PolarHBondContact N-OD2 3.17Å; G799-D802 WeakPolarHBondContact O-CB 3.37Å; G799-D802 PolarHBondContact O-N 2.94Å
800T74.5Confident87.1Confident7 Ų725.4 Ų25.44%0.04313%0.131CC..G310 helixtrans-59.5-30.6175.974.70000112Y205 G206 D802 G803 T820 V822Y205-T800 HydrophobicContact CD2-CG2 4.37Å; Y205-T800 HydrophobicContact CE1-CG2 4.28Å; Y205-T800 HydrophobicContact CE2-CG2 3.71Å; Y205-T800 WeakPolarHBondContact CE2-OG1 3.36Å; Y205-T800 PolarHBondContact OH-OG1 2.81Å; G206-T800 VanDerWaalsContact CA-CG2 3.41Å; T800-D802 PolarHBondContact O-N 3.36Å; T800-D802 VanDerWaalsContact O-N 3.17Å; T800-G803 PolarHBondContact O-N 2.96Å; T800-T820 HydrophobicContact CG2-CG2 4.16Å; T800-T820 PolarHBondContact N-OG1 2.79Å; T800-V822 HydrophobicContact CG2-CB 3.88Å; T800-V822 HydrophobicContact CG2-CG1 4.35Å; T800-V822 HydrophobicContact CG2-CG2 3.76Å
801N76.2Confident87.5Confident88 Ų8820.8 Ų20.847%0.47111%0.114SC..G310 helixtrans-54.2-26.5172.6-73.4-32.8000114P771 G799P771-N801 HydrophobicContact CB-CB 4.47Å; P771-N801 WeakPolarHBondContact CB-O 3.35Å; P771-N801 HydrophobicContact CG-CB 3.89Å; G799-N801 PolarHBondContact O-N 2.79Å; G799-N801 VanDerWaalsContact O-N 3.17Å
802D82.2Confident87.7Confident4 Ų419.7 Ų19.72%0.02111%0.109CC..G310 helixtrans-86.5-17.4179.2-61.2-42.1000112.7K774 G797 D798 G799 T800 A805 L806K774-D802 WeakPolarHBondContact CD-OD1 3.44Å; K774-D802 WeakPolarHBondContact CE-OD1 3.48Å; K774-D802 IonicContact NZ-OD1 3.38Å; K774-D802 PolarHBondContact NZ-OD1 2.96Å; G797-D802 WeakPolarHBondContact CA-OD2 3.06Å; D798-D802 PolarHBondContact N-OD2 3.02Å; D798-D802 VanDerWaalsContact N-OD2 3.15Å; G799-D802 PolarHBondContact N-OD2 3.17Å; G799-D802 WeakPolarHBondContact O-CB 3.37Å; G799-D802 PolarHBondContact O-N 2.94Å; T800-D802 PolarHBondContact O-N 3.36Å; T800-D802 VanDerWaalsContact O-N 3.17Å; D802-A805 WeakPolarHBondContact O-CA 3.5Å; D802-A805 PolarHBondContact O-N 3Å; D802-L806 HydrophobicContact CB-CD1 3.9Å; D802-L806 HydrophobicContact CB-CG 4.18Å; D802-L806 WeakPolarHBondContact O-CG 3.3Å; D802-L806 PolarHBondContact O-N 3.16Å
803G81.5Confident87.9Confident7 Ų719.5 Ų19.57%0.07211%0.107CC..Hα-helixtrans-47.5-49.7-176.900000114.5T800 A805 L806 K807T800-G803 PolarHBondContact O-N 2.96Å; G803-A805 VanDerWaalsContact C-N 3.34Å; G803-A805 PolarHBondContact O-N 3.17Å; G803-L806 PolarHBondContact O-N 3.01Å; G803-K807 WeakPolarHBondContact O-CB 2.98Å; G803-K807 PolarHBondContact O-N 3.34Å
804P84.7Confident87.7Confident68 Ų6819.5 Ų19.544%0.44211%0.107SC..Hα-helixtrans-61.8-37.5176.7-2535.4000113.8Y775 R808Y775-P804 HydrophobicContact CD2-CB 4.28Å; Y775-P804 WeakPolarHBondContact CD2-O 3.34Å; P804-R808 VanDerWaalsContact O-CB 3.24Å; P804-R808 WeakPolarHBondContact O-CB 3.03Å; P804-R808 PolarHBondContact O-N 2.93Å
805A89.1Confident87.4Confident1 Ų119.5 Ų19.51%0.00811%0.107CC..Hα-helixtrans-75-43.1179.800000111.6K774 V795 D802 G803 R808 A809K774-A805 HydrophobicContact CB-CB 3.84Å; V795-A805 HydrophobicContact CG1-CB 4.29Å; D802-A805 WeakPolarHBondContact O-CA 3.5Å; D802-A805 PolarHBondContact O-N 3Å; G803-A805 VanDerWaalsContact C-N 3.34Å; G803-A805 PolarHBondContact O-N 3.17Å; A805-R808 PolarHBondContact O-N 2.96Å; A805-A809 PolarHBondContact O-N 3.5Å; A805-A809 VanDerWaalsContact O-N 3.1Å
806L89.3Confident86.7Confident0 Ų020.2 Ų20.20%012%0.116CC..Hα-helixtrans-55.6-50.4172.5-71.1169000110.9V795 D802 G803 R808 A809 F813 A823 A826V795-L806 HydrophobicContact CB-CD2 4.27Å; V795-L806 HydrophobicContact CG1-CD2 4.03Å; V795-L806 HydrophobicContact CG1-CG 4.47Å; V795-L806 WeakPolarHBondContact O-CD2 3.49Å; D802-L806 HydrophobicContact CB-CD1 3.9Å; D802-L806 HydrophobicContact CB-CG 4.18Å; D802-L806 WeakPolarHBondContact O-CG 3.3Å; D802-L806 PolarHBondContact O-N 3.16Å; G803-L806 PolarHBondContact O-N 3.01Å; L806-R808 PolarHBondContact O-N 3.35Å; L806-A809 WeakPolarHBondContact O-CB 3.22Å; L806-A809 PolarHBondContact O-N 3.04Å; L806-F813 VanDerWaalsContact CD2-O 3.29Å; L806-F813 WeakPolarHBondContact CD2-O 3.44Å; L806-A823 HydrophobicContact CD1-CB 3.97Å; L806-A826 HydrophobicContact CB-CB 3.96Å; L806-A826 HydrophobicContact CD1-CB 4.35Å
807K86.8Confident85.9Confident90 Ų9026.3 Ų26.339%0.39115%0.147SC..THydrogen-bonded Turntrans-70.4-15.1-178.6-151.461.9164.6-173.50114.5G803 E825 A826G803-K807 WeakPolarHBondContact O-CB 2.98Å; G803-K807 PolarHBondContact O-N 3.34Å; K807-E825 PolarHBondContact NZ-O 3.2Å; K807-A826 WeakPolarHBondContact CD-O 3.46Å; K807-A826 PolarHBondContact NZ-O 3.05Å
808R91.2Very high85.3Confident55 Ų5528.5 Ų28.521%0.20817%0.165CC..THydrogen-bonded Turntrans-93-23.5179.4178.859-167.4106.5-6.4113.3Y775 V778 S779 I782 N783 P804 A805 L806Y775-R808 HydrophobicContact CD2-CB 3.83Å; Y775-R808 HydrophobicContact CD2-CG 3.93Å; Y775-R808 HydrophobicContact CE2-CB 3.69Å; Y775-R808 HydrophobicContact CE2-CG 3.59Å; V778-R808 HydrophobicContact CG1-CB 4.47Å; V778-R808 HydrophobicContact CG1-CG 4.19Å; S779-R808 WeakPolarHBondContact OG-CD 3.45Å; S779-R808 VanDerWaalsContact OG-CG 3.31Å; S779-R808 WeakPolarHBondContact OG-CG 3.35Å; S779-R808 PolarHBondContact OG-NE 2.8Å; I782-R808 VanDerWaalsContact CD1-O 3.24Å; I782-R808 WeakPolarHBondContact CD1-O 3.26Å; N783-R808 PolarHBondContact OD1-NH2 2.9Å; P804-R808 VanDerWaalsContact O-CB 3.24Å; P804-R808 WeakPolarHBondContact O-CB 3.03Å; P804-R808 PolarHBondContact O-N 2.93Å; A805-R808 PolarHBondContact O-N 2.96Å; L806-R808 PolarHBondContact O-N 3.35Å
809A93.1Very high85Confident16 Ų1627.8 Ų27.813%0.13216%0.164CC..SBendtrans-56.9167.2178.500000112.6V778 V795 A805 L806 V811V778-A809 HydrophobicContact CG1-CB 4.38Å; V795-A809 HydrophobicContact CB-CB 3.99Å; V795-A809 HydrophobicContact CG2-CB 3.56Å; A805-A809 PolarHBondContact O-N 3.5Å; A805-A809 VanDerWaalsContact O-N 3.1Å; L806-A809 WeakPolarHBondContact O-CB 3.22Å; L806-A809 PolarHBondContact O-N 3.04Å; A809-V811 WeakPolarHBondContact CB-O 3.43Å
810D92.4Very high85.3Confident28 Ų2828.3 Ų28.315%0.1516%0.164CC..SBendtrans-79-26.3161.9-77.4-75.1000111.4T452 R790 V792 V793 R920T452-D810 HydrophobicContact CG2-CB 3.92Å; R790-D810 IonicContact CZ-OD1 3.75Å; R790-D810 IonicContact CZ-OD2 3.43Å; R790-D810 IonicContact NH1-OD1 2.78Å; R790-D810 IonicContact NH2-OD1 2.8Å; R790-D810 PolarHBondContact NH2-OD1 3.4Å; R790-D810 IonicContact NH2-OD2 3.18Å; R790-D810 PolarHBondContact NH2-OD2 3.47Å; V792-D810 HydrophobicContact CG1-CB 3.75Å; V793-D810 PolarHBondContact N-OD2 2.68Å; V793-D810 PolarHBondContact O-N 3.02Å; D810-R920 IonicContact OD1-CZ 2.69Å; D810-R920 IonicContact OD1-NH1 2.63Å; D810-R920 PolarHBondContact OD1-NH1 3.43Å; D810-R920 IonicContact OD1-NH2 2.74Å; D810-R920 IonicContact OD2-NH1 2.67Å
811V93.7Very high85.6Confident1 Ų128.7 Ų28.71%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-146.4119.1169.2-179.10000109.7A449 T452 M453 V793 A794 V795 A809 F813 D828 I829A449-V811 HydrophobicContact CB-CG1 4.23Å; A449-V811 HydrophobicContact CB-CG2 4.26Å; T452-V811 HydrophobicContact CG2-CG2 3.88Å; M453-V811 HydrophobicContact CB-CG2 4.26Å; M453-V811 HydrophobicContact SD-CB 4.27Å; M453-V811 HydrophobicContact SD-CG1 4.26Å; M453-V811 HydrophobicContact SD-CG2 4.34Å; V793-V811 PolarHBondContact O-N 3.42Å; A794-V811 CarbonylContact C-O 3.56Å; A794-V811 WeakPolarHBondContact CA-O 3.44Å; A794-V811 HydrophobicContact CB-CB 4.46Å; V795-V811 PolarHBondContact N-O 3.18Å; A809-V811 WeakPolarHBondContact CB-O 3.43Å; V811-F813 HydrophobicContact CB-CE2 4.39Å; V811-F813 HydrophobicContact CG1-CD2 4.05Å; V811-F813 HydrophobicContact CG1-CE2 3.55Å; V811-F813 HydrophobicContact CG1-CZ 4.05Å; V811-D828 WeakPolarHBondContact CA-OD2 3.36Å; V811-I829 HydrophobicContact CG1-CD1 4.02Å; V811-I829 HydrophobicContact CG1-CG1 4.32Å
812G94.1Very high85.8Confident0 Ų025.4 Ų25.40%015%0.149CC..EExtended strand (participates in β ladder)trans-93.6133.6169.800000112.3S827 D828 I829G812-S827 WeakPolarHBondContact O-CB 3.34Å; G812-D828 PolarHBondContact N-OD2 2.67Å; G812-D828 PolarHBondContact O-N 3.19Å; G812-I829 PolarHBondContact O-N 3.49Å
813F94.8Very high85.8Confident0 Ų025.2 Ų25.20%015%0.148CC..EExtended strand (participates in β ladder)trans-111.1125.7172.2-72.8-92.8000111.1M453 A794 V795 T796 G797 L806 V811 I829 L831 I839 A842M453-F813 HydrophobicContact CE-CE2 3.58Å; M453-F813 HydrophobicContact CE-CZ 3.75Å; M453-F813 HydrophobicContact CG-CE2 4.46Å; M453-F813 HydrophobicContact CG-CZ 4.07Å; M453-F813 HydrophobicContact SD-CE2 3.55Å; M453-F813 VanDerWaalsContact SD-CE2 3.55Å; M453-F813 HydrophobicContact SD-CZ 3.76Å; A794-F813 HydrophobicContact CB-CD2 4.43Å; A794-F813 HydrophobicContact CB-CE2 4.11Å; V795-F813 PolarHBondContact O-N 2.78Å; T796-F813 WeakPolarHBondContact CA-O 3.46Å; T796-F813 HydrophobicContact CG2-CB 4.19Å; G797-F813 PolarHBondContact N-O 3.46Å; L806-F813 VanDerWaalsContact CD2-O 3.29Å; L806-F813 WeakPolarHBondContact CD2-O 3.44Å; V811-F813 HydrophobicContact CB-CE2 4.39Å; V811-F813 HydrophobicContact CG1-CD2 4.05Å; V811-F813 HydrophobicContact CG1-CE2 3.55Å; V811-F813 HydrophobicContact CG1-CZ 4.05Å; F813-I829 VanDerWaalsContact CA-O 3.28Å; F813-I829 WeakPolarHBondContact CA-O 3.41Å; F813-I829 HydrophobicContact CD1-CB 3.91Å; F813-I829 HydrophobicContact CD1-CG2 3.99Å; F813-I829 HydrophobicContact CE1-CB 3.89Å; F813-I829 HydrophobicContact CE1-CD1 3.93Å; F813-I829 HydrophobicContact CE1-CG1 4.45Å; F813-I829 HydrophobicContact CE1-CG2 3.82Å; F813-I829 HydrophobicContact CZ-CD1 3.94Å; F813-L831 HydrophobicContact CD1-CD2 3.71Å; F813-L831 HydrophobicContact CD1-CG 4.12Å; F813-L831 HydrophobicContact CE1-CD2 4.07Å; F813-I839 HydrophobicContact CD1-CG1 4.14Å; F813-I839 HydrophobicContact CE1-CG1 4.2Å; F813-I839 HydrophobicContact CE1-CG2 4.34Å; F813-I839 HydrophobicContact CE2-CG2 4.13Å; F813-I839 HydrophobicContact CG-CG1 4.48Å; F813-I839 HydrophobicContact CZ-CG2 3.96Å; F813-A842 HydrophobicContact CE1-CB 4.1Å; F813-A842 HydrophobicContact CZ-CB 4.06Å
814A90.3Very high86Confident0 Ų026.9 Ų26.90%015%0.153CC..EExtended strand (participates in β ladder)trans-106.4149.2168.700000112.1G797 A823 K824 S827 I829 I830 L831G797-A814 WeakPolarHBondContact O-CA 3.34Å; A814-A823 HydrophobicContact CB-CB 4.42Å; A814-K824 HydrophobicContact CB-CB 4.39Å; A814-K824 HydrophobicContact CB-CG 4.04Å; A814-S827 WeakPolarHBondContact CB-OG 3.42Å; A814-I829 PolarHBondContact N-O 3.15Å; A814-I830 HydrophobicContact CB-CG1 4.42Å; A814-I830 WeakPolarHBondContact O-CA 3.26Å; A814-L831 PolarHBondContact O-N 3.18Å
815M88.3Confident85.9Confident1 Ų127.4 Ų27.41%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-71133.7166.5-60.4-52.110600109.7T466 G797 D798 A818 G819 K824 L831 D834T466-M815 HydrophobicContact CG2-CE 4Å; T466-M815 HydrophobicContact CG2-SD 4.47Å; G797-M815 PolarHBondContact O-N 3.36Å; D798-M815 HydrophobicContact CB-CB 4.16Å; D798-M815 HydrophobicContact CB-CG 3.88Å; M815-A818 HydrophobicContact CB-CB 4.44Å; M815-G819 VanDerWaalsContact O-CA 3.26Å; M815-G819 WeakPolarHBondContact O-CA 3.47Å; M815-G819 PolarHBondContact O-N 2.74Å; M815-K824 WeakPolarHBondContact O-CE 3.34Å; M815-L831 HydrophobicContact CE-CD1 3.73Å; M815-L831 HydrophobicContact CE-CG 4.43Å; M815-L831 HydrophobicContact SD-CD1 4.38Å; M815-D834 WeakPolarHBondContact CA-OD1 3.26Å; M815-D834 WeakPolarHBondContact CB-OD1 3.19Å; M815-D834 HydrophobicContact SD-CB 3.99Å
816G81.6Confident85.6Confident22 Ų2227.9 Ų27.923%0.22715%0.154CC..SBendtrans-80.7-38-179.400000113.1K824 I830 L831 D834G816-K824 VanDerWaalsContact O-CE 3.29Å; G816-K824 WeakPolarHBondContact O-CE 3.06Å; G816-K824 PolarHBondContact O-NZ 2.78Å; G816-I830 VanDerWaalsContact CA-CG2 3.49Å; G816-L831 VanDerWaalsContact CA-O 3.3Å; G816-L831 WeakPolarHBondContact CA-O 3.3Å; G816-L831 PolarHBondContact N-O 3.04Å; G816-D834 PolarHBondContact N-OD1 2.78Å
817I77.7Confident85.6Confident129 Ų12927.9 Ų27.966%0.66215%0.154SC*.SBendtrans-92.6-54.2-175.4-50170.1000110.4D834I817-D834 WeakPolarHBondContact CB-OD2 3.23Å; I817-D834 PolarHBondContact N-OD1 2.92Å
818A74Confident85.8Confident46 Ų4624.9 Ų24.938%0.3814%0.142SC..SBendtrans-84.5-17.5-178.700000113.9M815 D834M815-A818 HydrophobicContact CB-CB 4.44Å; A818-D834 WeakPolarHBondContact CB-OD2 3.36Å; A818-D834 PolarHBondContact N-OD2 3.34Å
819G76.2Confident85.8Confident8 Ų822.3 Ų22.38%0.08213%0.132CC..  trans-75.2142.4-173.700000114M815 K824M815-G819 VanDerWaalsContact O-CA 3.26Å; M815-G819 WeakPolarHBondContact O-CA 3.47Å; M815-G819 PolarHBondContact O-N 2.74Å; G819-K824 WeakPolarHBondContact O-CE 3.29Å; G819-K824 PolarHBondContact O-NZ 2.71Å
820T79.4Confident85.7Confident23 Ų2322.3 Ų22.314%0.14113%0.13CC..  trans-66.2151.416858.60000111D798 T800 V822 A823 K824D798-T820 WeakPolarHBondContact O-CB 3.43Å; D798-T820 PolarHBondContact O-N 3.34Å; D798-T820 PolarHBondContact O-OG1 3.08Å; T800-T820 HydrophobicContact CG2-CG2 4.16Å; T800-T820 PolarHBondContact N-OG1 2.79Å; T820-V822 VanDerWaalsContact C-N 3.27Å; T820-V822 PolarHBondContact O-N 2.94Å; T820-A823 WeakPolarHBondContact O-CB 3.42Å; T820-A823 PolarHBondContact O-N 2.8Å; T820-A823 VanDerWaalsContact O-N 3.09Å; T820-A823 WeakPolarHBondContact OG1-CB 3.44Å; T820-A823 PolarHBondContact OG1-N 2.62Å; T820-K824 WeakPolarHBondContact O-CG 3.27Å; T820-K824 PolarHBondContact O-N 2.91Å
821D81.2Confident85.7Confident16 Ų1621 Ų219%0.08612%0.123CC..Hα-helixtrans-70.9-27.2-179-58.1-39.3000111.7G206 L208 A823 K824 E825G206-D821 PolarHBondContact O-N 2.86Å; L208-D821 HydrophobicContact CB-CB 3.86Å; D821-A823 PolarHBondContact O-N 3.17Å; D821-K824 PolarHBondContact O-N 3.03Å; D821-K824 WeakPolarHBondContact OD1-CD 3.28Å; D821-K824 IonicContact OD1-NZ 3.69Å; D821-K824 PolarHBondContact OD1-NZ 3.43Å; D821-E825 WeakPolarHBondContact O-CB 3.47Å; D821-E825 PolarHBondContact O-N 3.43Å
822V79.2Confident85.4Confident19 Ų1922.9 Ų22.912%0.11514%0.135CC..Hα-helixtrans-56.7-46.6166.3-1770000111.6G206 H250 T800 T820 E825 A826G206-V822 PolarHBondContact O-N 3.46Å; H250-V822 HydrophobicContact CB-CG2 3.87Å; T800-V822 HydrophobicContact CG2-CB 3.88Å; T800-V822 HydrophobicContact CG2-CG1 4.35Å; T800-V822 HydrophobicContact CG2-CG2 3.76Å; T820-V822 VanDerWaalsContact C-N 3.27Å; T820-V822 PolarHBondContact O-N 2.94Å; V822-E825 PolarHBondContact O-N 3.28Å; V822-A826 WeakPolarHBondContact O-CB 3.49Å; V822-A826 PolarHBondContact O-N 2.82Å
823A83.9Confident85Confident0 Ų025 Ų250%015%0.146CC..Hα-helixtrans-66.5-43.9177.700000111.3D798 L806 A814 T820 D821 E825 A826 S827D798-A823 WeakPolarHBondContact O-CB 3.43Å; L806-A823 HydrophobicContact CD1-CB 3.97Å; A814-A823 HydrophobicContact CB-CB 4.42Å; T820-A823 WeakPolarHBondContact O-CB 3.42Å; T820-A823 PolarHBondContact O-N 2.8Å; T820-A823 VanDerWaalsContact O-N 3.09Å; T820-A823 WeakPolarHBondContact OG1-CB 3.44Å; T820-A823 PolarHBondContact OG1-N 2.62Å; D821-A823 PolarHBondContact O-N 3.17Å; A823-E825 VanDerWaalsContact C-N 3.34Å; A823-E825 PolarHBondContact O-N 3.46Å; A823-A826 PolarHBondContact O-N 3.12Å; A823-S827 WeakPolarHBondContact O-CB 3.37Å; A823-S827 PolarHBondContact O-N 3.24Å
824K85.3Confident84.6Confident42 Ų4225.3 Ų25.318%0.18315%0.148CC..Hα-helixtrans-57.6-44.4175-68173.3-159.7150.70111.9R445 A814 M815 G816 G819 T820 D821 S827 I830R445-K824 PolarHBondContact NH1-O 2.87Å; R445-K824 VanDerWaalsContact NH1-O 3.08Å; A814-K824 HydrophobicContact CB-CB 4.39Å; A814-K824 HydrophobicContact CB-CG 4.04Å; M815-K824 WeakPolarHBondContact O-CE 3.34Å; G816-K824 VanDerWaalsContact O-CE 3.29Å; G816-K824 WeakPolarHBondContact O-CE 3.06Å; G816-K824 PolarHBondContact O-NZ 2.78Å; G819-K824 WeakPolarHBondContact O-CE 3.29Å; G819-K824 PolarHBondContact O-NZ 2.71Å; T820-K824 WeakPolarHBondContact O-CG 3.27Å; T820-K824 PolarHBondContact O-N 2.91Å; D821-K824 PolarHBondContact O-N 3.03Å; D821-K824 WeakPolarHBondContact OD1-CD 3.28Å; D821-K824 IonicContact OD1-NZ 3.69Å; D821-K824 PolarHBondContact OD1-NZ 3.43Å; K824-S827 PolarHBondContact O-N 2.9Å; K824-S827 PolarHBondContact O-OG 3.26Å; K824-I830 HydrophobicContact CB-CD1 3.81Å; K824-I830 HydrophobicContact CB-CG1 4.32Å; K824-I830 HydrophobicContact CD-CD1 4.35Å; K824-I830 HydrophobicContact CG-CD1 3.98Å; K824-I830 HydrophobicContact CG-CG1 4.32Å
825E81.7Confident84.4Confident78 Ų7826.9 Ų26.936%0.36416%0.156SC..Hα-helixtrans-71-34.5178.6-176.6162.9-173.100113.4H250 R445 K807 D821 V822 A823 S827H250-E825 IonicContact CE1-OE2 3.7Å; H250-E825 PolarHBondContact CE1-OE2 2.73Å; H250-E825 IonicContact NE2-OE2 3.92Å; R445-E825 PolarHBondContact NH1-O 3.09Å; K807-E825 PolarHBondContact NZ-O 3.2Å; D821-E825 WeakPolarHBondContact O-CB 3.47Å; D821-E825 PolarHBondContact O-N 3.43Å; V822-E825 PolarHBondContact O-N 3.28Å; A823-E825 VanDerWaalsContact C-N 3.34Å; A823-E825 PolarHBondContact O-N 3.46Å; E825-S827 VanDerWaalsContact C-N 3.31Å
826A83.6Confident84.5Confident12 Ų1226.9 Ų26.910%0.09916%0.156CC..Hα-helixtrans-67-32.4173.200000112.8L806 K807 V822 A823L806-A826 HydrophobicContact CB-CB 3.96Å; L806-A826 HydrophobicContact CD1-CB 4.35Å; K807-A826 WeakPolarHBondContact CD-O 3.46Å; K807-A826 PolarHBondContact NZ-O 3.05Å; V822-A826 WeakPolarHBondContact O-CB 3.49Å; V822-A826 PolarHBondContact O-N 2.82Å; A823-A826 PolarHBondContact O-N 3.12Å
827S89.4Confident84.9Confident0 Ų027.6 Ų27.60%016%0.158CC..  trans-76.5157.8-176.376.80000115.3R445 G812 A814 A823 K824 E825R445-S827 PolarHBondContact NH1-O 3.37Å; G812-S827 WeakPolarHBondContact O-CB 3.34Å; A814-S827 WeakPolarHBondContact CB-OG 3.42Å; A823-S827 WeakPolarHBondContact O-CB 3.37Å; A823-S827 PolarHBondContact O-N 3.24Å; K824-S827 PolarHBondContact O-N 2.9Å; K824-S827 PolarHBondContact O-OG 3.26Å; E825-S827 VanDerWaalsContact C-N 3.31Å
828D90.7Very high85.7Confident27 Ų2721.5 Ų21.514%0.14413%0.126CC..SBendtrans-96.7-25.6174.7-50.5-66.5000112.4R445 H446 A449 V811 G812R445-D828 WeakPolarHBondContact CB-O 3.35Å; R445-D828 PolarHBondContact N-O 2.96Å; H446-D828 HydrophobicContact CB-CB 4.22Å; H446-D828 IonicContact CD2-OD1 2.62Å; H446-D828 PolarHBondContact CD2-OD1 3.27Å; H446-D828 VanDerWaalsContact CD2-OD1 3.23Å; H446-D828 PolarHBondContact N-O 3.45Å; A449-D828 HydrophobicContact CB-CB 3.56Å; V811-D828 WeakPolarHBondContact CA-OD2 3.36Å; G812-D828 PolarHBondContact N-OD2 2.67Å; G812-D828 PolarHBondContact O-N 3.19Å
829I92.1Very high86.6Confident0 Ų019.3 Ų19.30%011%0.108CC..EExtended strand (participates in β ladder)trans-133.8133.4177.8-54.2-179.5000109.2N442 L443 V444 A449 V811 G812 F813 A814N442-I829 HydrophobicContact CB-CG2 4.21Å; L443-I829 WeakPolarHBondContact O-CA 3.12Å; V444-I829 HydrophobicContact CG1-CG1 4.36Å; V444-I829 HydrophobicContact CG2-CD1 4.29Å; V444-I829 HydrophobicContact CG2-CG1 4.21Å; V444-I829 HydrophobicContact CG2-CG2 4.43Å; A449-I829 HydrophobicContact CB-CD1 4.31Å; A449-I829 HydrophobicContact CB-CG1 4.19Å; V811-I829 HydrophobicContact CG1-CD1 4.02Å; V811-I829 HydrophobicContact CG1-CG1 4.32Å; G812-I829 PolarHBondContact O-N 3.49Å; F813-I829 VanDerWaalsContact CA-O 3.28Å; F813-I829 WeakPolarHBondContact CA-O 3.41Å; F813-I829 HydrophobicContact CD1-CB 3.91Å; F813-I829 HydrophobicContact CD1-CG2 3.99Å; F813-I829 HydrophobicContact CE1-CB 3.89Å; F813-I829 HydrophobicContact CE1-CD1 3.93Å; F813-I829 HydrophobicContact CE1-CG1 4.45Å; F813-I829 HydrophobicContact CE1-CG2 3.82Å; F813-I829 HydrophobicContact CZ-CD1 3.94Å; A814-I829 PolarHBondContact N-O 3.15Å
830I90.8Very high87.5Confident17 Ų1719.1 Ų19.19%0.08711%0.105CC..EExtended strand (participates in β ladder)trans-104.1133.1171.7-60.7172.2000108.8L443 R445 A814 G816 K824L443-I830 HydrophobicContact CB-CB 4.28Å; L443-I830 HydrophobicContact CD2-CD1 4.45Å; L443-I830 PolarHBondContact N-O 3.35Å; L443-I830 PolarHBondContact O-N 3.34Å; R445-I830 HydrophobicContact CG-CD1 4.38Å; R445-I830 HydrophobicContact CG-CG1 4.5Å; A814-I830 HydrophobicContact CB-CG1 4.42Å; A814-I830 WeakPolarHBondContact O-CA 3.26Å; G816-I830 VanDerWaalsContact CA-CG2 3.49Å; K824-I830 HydrophobicContact CB-CD1 3.81Å; K824-I830 HydrophobicContact CB-CG1 4.32Å; K824-I830 HydrophobicContact CD-CD1 4.35Å; K824-I830 HydrophobicContact CG-CD1 3.98Å; K824-I830 HydrophobicContact CG-CG1 4.32Å
831L91.5Very high88.1Confident0 Ų021.3 Ų21.30%011%0.113CC..EExtended strand (participates in β ladder)trans-88.4107.8172.3-56.5-175.6000109.2N441 N442 F813 A814 M815 G816 D833 D834 I839N441-L831 WeakPolarHBondContact O-CA 3.3Å; N442-L831 VanDerWaalsContact OD1-CD2 3.25Å; N442-L831 WeakPolarHBondContact OD1-CD2 3.26Å; F813-L831 HydrophobicContact CD1-CD2 3.71Å; F813-L831 HydrophobicContact CD1-CG 4.12Å; F813-L831 HydrophobicContact CE1-CD2 4.07Å; A814-L831 PolarHBondContact O-N 3.18Å; M815-L831 HydrophobicContact CE-CD1 3.73Å; M815-L831 HydrophobicContact CE-CG 4.43Å; M815-L831 HydrophobicContact SD-CD1 4.38Å; G816-L831 VanDerWaalsContact CA-O 3.3Å; G816-L831 WeakPolarHBondContact CA-O 3.3Å; G816-L831 PolarHBondContact N-O 3.04Å; L831-D833 PolarHBondContact O-N 3.46Å; L831-D834 PolarHBondContact O-N 3.37Å; L831-I839 HydrophobicContact CD1-CD1 4.05Å; L831-I839 HydrophobicContact CD1-CG1 3.68Å; L831-I839 HydrophobicContact CD2-CG1 4.28Å
832T86.9Confident88.7Confident41 Ų4120.6 Ų20.625%0.25211%0.109SC..THydrogen-bonded Turntrans-72.9-9.4-174.363.30000113.5N441 L443N441-T832 VanDerWaalsContact CA-OG1 3.26Å; N441-T832 WeakPolarHBondContact CA-OG1 3.21Å; N441-T832 WeakPolarHBondContact CB-OG1 3.37Å; N441-T832 PolarHBondContact O-N 2.99Å; N441-T832 PolarHBondContact O-OG1 2.98Å; L443-T832 HydrophobicContact CB-CG2 3.92Å
833D87Confident89.4Confident44 Ų4419.8 Ų19.824%0.23510%0.104CC..THydrogen-bonded Turntrans-117.44.8179.566.3-9.9000114.3N441 L831 N835 S838N441-D833 HydrophobicContact CB-CB 3.95Å; N441-D833 WeakPolarHBondContact CB-OD2 3.02Å; N441-D833 PolarHBondContact ND2-OD2 3.34Å; L831-D833 PolarHBondContact O-N 3.46Å; D833-N835 HydrophobicContact CB-CB 4.36Å; D833-N835 PolarHBondContact O-N 2.8Å; D833-N835 VanDerWaalsContact O-N 3.09Å; D833-N835 VanDerWaalsContact OD1-CB 3.3Å; D833-N835 WeakPolarHBondContact OD1-CB 3.39Å; D833-N835 PolarHBondContact OD1-N 3.4Å; D833-N835 VanDerWaalsContact OD1-N 3.13Å; D833-N835 WeakPolarHBondContact OD2-CB 3.26Å; D833-S838 PolarHBondContact OD1-OG 3.42Å; D833-S838 PolarHBondContact OD2-OG 3.32Å
834D85.8Confident89.9Confident7 Ų721.3 Ų21.34%0.03711%0.112CC..  trans49.927.9-172.9-64.63.5000114R687 M815 G816 I817 A818 L831R687-D834 PolarHBondContact NE-O 3.28Å; R687-D834 PolarHBondContact NH1-O 3Å; R687-D834 PolarHBondContact NH2-O 3.03Å; M815-D834 WeakPolarHBondContact CA-OD1 3.26Å; M815-D834 WeakPolarHBondContact CB-OD1 3.19Å; M815-D834 HydrophobicContact SD-CB 3.99Å; G816-D834 PolarHBondContact N-OD1 2.78Å; I817-D834 WeakPolarHBondContact CB-OD2 3.23Å; I817-D834 PolarHBondContact N-OD1 2.92Å; A818-D834 WeakPolarHBondContact CB-OD2 3.36Å; A818-D834 PolarHBondContact N-OD2 3.34Å; L831-D834 PolarHBondContact O-N 3.37Å
835N86.6Confident90.2Very high33 Ų3319.9 Ų19.918%0.17611%0.105CC..  trans-100.8123.9-172-163.9-45.8000112.2E689 D833 S837 S838E689-N835 VanDerWaalsContact CG-OD1 3.25Å; E689-N835 WeakPolarHBondContact CG-OD1 3.34Å; E689-N835 VanDerWaalsContact OE1-CG 3.27Å; E689-N835 PolarHBondContact OE1-ND2 3.33Å; E689-N835 PolarHBondContact OE1-OD1 2.82Å; D833-N835 HydrophobicContact CB-CB 4.36Å; D833-N835 PolarHBondContact O-N 2.8Å; D833-N835 VanDerWaalsContact O-N 3.09Å; D833-N835 VanDerWaalsContact OD1-CB 3.3Å; D833-N835 WeakPolarHBondContact OD1-CB 3.39Å; D833-N835 PolarHBondContact OD1-N 3.4Å; D833-N835 VanDerWaalsContact OD1-N 3.13Å; D833-N835 WeakPolarHBondContact OD2-CB 3.26Å; N835-S837 PolarHBondContact O-N 3.32Å; N835-S837 WeakPolarHBondContact OD1-CB 3.31Å; N835-S837 PolarHBondContact OD1-N 3.19Å; N835-S838 WeakPolarHBondContact O-CB 3.47Å; N835-S838 PolarHBondContact O-N 3.46Å; N835-S838 PolarHBondContact O-OG 2.86Å
836F89.5Confident90.7Very high1 Ų116.2 Ų16.20%0.0049%0.088CC..Hα-helixtrans-61-28.2176.8-165-89.6000113.1I459 T466 L467 V690 A693 I694 V704 S838 I839I459-F836 HydrophobicContact CG2-CE2 4.35Å; I459-F836 HydrophobicContact CG2-CZ 4.28Å; T466-F836 HydrophobicContact CG2-CD2 3.91Å; L467-F836 HydrophobicContact CD2-CD2 3.64Å; L467-F836 HydrophobicContact CD2-CE2 3.76Å; L467-F836 HydrophobicContact CD2-CG 4.19Å; L467-F836 HydrophobicContact CD2-CZ 4.41Å; V690-F836 HydrophobicContact CG2-CB 3.65Å; V690-F836 HydrophobicContact CG2-CG 4.31Å; A693-F836 HydrophobicContact CB-CD1 3.8Å; A693-F836 HydrophobicContact CB-CE1 4.44Å; I694-F836 HydrophobicContact CG1-CD1 4.35Å; I694-F836 HydrophobicContact CG1-CE1 3.78Å; I694-F836 HydrophobicContact CG1-CZ 4.27Å; V704-F836 HydrophobicContact CG1-CZ 4.25Å; V704-F836 HydrophobicContact CG2-CZ 4.48Å; F836-S838 PolarHBondContact O-N 3.37Å; F836-I839 HydrophobicContact CD2-CD1 3.7Å; F836-I839 HydrophobicContact CE2-CD1 3.85Å; F836-I839 HydrophobicContact CG-CD1 4.28Å; F836-I839 WeakPolarHBondContact O-CB 3.16Å; F836-I839 PolarHBondContact O-N 2.8Å; F836-I839 VanDerWaalsContact O-N 3.08Å
837S90.9Very high91.1Very high37 Ų3715.7 Ų15.726%0.2598%0.084SC..Hα-helixtrans-61.7-26.6172.8-172.20000112.7N835 I839 V840 K841N835-S837 PolarHBondContact O-N 3.32Å; N835-S837 WeakPolarHBondContact OD1-CB 3.31Å; N835-S837 PolarHBondContact OD1-N 3.19Å; S837-I839 VanDerWaalsContact C-N 3.26Å; S837-I839 PolarHBondContact O-N 3.42Å; S837-V840 WeakPolarHBondContact O-CB 3.11Å; S837-V840 PolarHBondContact O-N 3Å; S837-K841 PolarHBondContact O-N 3.43Å
838S93.5Very high91.1Very high1 Ų115.9 Ų15.91%0.0079%0.085CC..Hα-helixtrans-65.6-30.7175.6-61.20000111.2N442 D833 N835 F836 K841 A842N442-S838 PolarHBondContact ND2-O 2.94Å; N442-S838 PolarHBondContact OD1-O 2.79Å; D833-S838 PolarHBondContact OD1-OG 3.42Å; D833-S838 PolarHBondContact OD2-OG 3.32Å; N835-S838 WeakPolarHBondContact O-CB 3.47Å; N835-S838 PolarHBondContact O-N 3.46Å; N835-S838 PolarHBondContact O-OG 2.86Å; F836-S838 PolarHBondContact O-N 3.37Å; S838-K841 WeakPolarHBondContact O-CB 3.29Å; S838-K841 PolarHBondContact O-N 3.1Å; S838-A842 PolarHBondContact O-N 3.28Å
839I94Very high91.1Very high0 Ų014.6 Ų14.60%08%0.078CC..Hα-helixtrans-65.4-38.8172.8-53.2178.4000111.1M453 I459 T796 F813 L831 F836 S837 K841 A842 V843M453-I839 HydrophobicContact CE-CG2 3.54Å; I459-I839 HydrophobicContact CD1-CG2 4.07Å; T796-I839 HydrophobicContact CG2-CD1 3.54Å; F813-I839 HydrophobicContact CD1-CG1 4.14Å; F813-I839 HydrophobicContact CE1-CG1 4.2Å; F813-I839 HydrophobicContact CE1-CG2 4.34Å; F813-I839 HydrophobicContact CE2-CG2 4.13Å; F813-I839 HydrophobicContact CG-CG1 4.48Å; F813-I839 HydrophobicContact CZ-CG2 3.96Å; L831-I839 HydrophobicContact CD1-CD1 4.05Å; L831-I839 HydrophobicContact CD1-CG1 3.68Å; L831-I839 HydrophobicContact CD2-CG1 4.28Å; F836-I839 HydrophobicContact CD2-CD1 3.7Å; F836-I839 HydrophobicContact CE2-CD1 3.85Å; F836-I839 HydrophobicContact CG-CD1 4.28Å; F836-I839 WeakPolarHBondContact O-CB 3.16Å; F836-I839 PolarHBondContact O-N 2.8Å; F836-I839 VanDerWaalsContact O-N 3.08Å; S837-I839 VanDerWaalsContact C-N 3.26Å; S837-I839 PolarHBondContact O-N 3.42Å; I839-K841 VanDerWaalsContact C-N 3.34Å; I839-K841 PolarHBondContact O-N 2.98Å; I839-A842 WeakPolarHBondContact O-CB 3.42Å; I839-A842 PolarHBondContact O-N 2.66Å; I839-A842 VanDerWaalsContact O-N 3.12Å; I839-V843 PolarHBondContact O-N 3.08Å
840V94.2Very high90.9Very high4 Ų415.2 Ų15.22%0.0248%0.08CC..Hα-helixtrans-64.4-41.2176.2-171.60000110.8A693 Q696 S837 A842 V843 M844 L913A693-V840 HydrophobicContact CB-CG2 3.79Å; Q696-V840 HydrophobicContact CB-CG1 4.08Å; S837-V840 WeakPolarHBondContact O-CB 3.11Å; S837-V840 PolarHBondContact O-N 3Å; V840-A842 VanDerWaalsContact C-N 3.3Å; V840-A842 PolarHBondContact O-N 3.3Å; V840-V843 PolarHBondContact O-N 2.96Å; V840-M844 PolarHBondContact O-N 3.12Å; V840-L913 HydrophobicContact CG1-CD1 3.67Å; V840-L913 HydrophobicContact CG1-CD2 4.39Å
841K93.4Very high90.8Very high69 Ų6914.7 Ų14.730%0.38%0.077SC..Hα-helixtrans-61.3-38.9171.6-61-175.5-179.6-173.60111.6D440 S837 S838 I839 M844 W845D440-K841 HydrophobicContact CB-CD 3.74Å; D440-K841 WeakPolarHBondContact OD1-CD 3.35Å; D440-K841 IonicContact OD1-NZ 3.49Å; D440-K841 PolarHBondContact OD1-NZ 2.88Å; S837-K841 PolarHBondContact O-N 3.43Å; S838-K841 WeakPolarHBondContact O-CB 3.29Å; S838-K841 PolarHBondContact O-N 3.1Å; I839-K841 VanDerWaalsContact C-N 3.34Å; I839-K841 PolarHBondContact O-N 2.98Å; K841-M844 WeakPolarHBondContact O-CB 3.5Å; K841-M844 PolarHBondContact O-N 3.42Å; K841-W845 PolarHBondContact O-N 3.43Å
842A93.8Very high90.7Very high0 Ų014.7 Ų14.70%08%0.077CC..Hα-helixtrans-62.5-42.8177.100000112.6M437 M453 F813 S838 I839 V840 G846M437-A842 HydrophobicContact CE-CB 4.33Å; M437-A842 WeakPolarHBondContact CE-O 3.27Å; M453-A842 HydrophobicContact CG-CB 4.25Å; F813-A842 HydrophobicContact CE1-CB 4.1Å; F813-A842 HydrophobicContact CZ-CB 4.06Å; S838-A842 PolarHBondContact O-N 3.28Å; I839-A842 WeakPolarHBondContact O-CB 3.42Å; I839-A842 PolarHBondContact O-N 2.66Å; I839-A842 VanDerWaalsContact O-N 3.12Å; V840-A842 VanDerWaalsContact C-N 3.3Å; V840-A842 PolarHBondContact O-N 3.3Å; A842-G846 PolarHBondContact O-N 3.42Å
843V94Very high90.8Very high2 Ų212.8 Ų12.81%0.0127%0.066CC..Hα-helixtrans-59-46.1171.7173.10000111.1M453 I702 I839 V840 G846 R847 L913M453-V843 HydrophobicContact CE-CG2 3.44Å; M453-V843 VanDerWaalsContact CE-CG2 3.44Å; M453-V843 HydrophobicContact CG-CG2 3.99Å; M453-V843 HydrophobicContact SD-CG2 4.41Å; I702-V843 HydrophobicContact CD1-CB 4.44Å; I702-V843 HydrophobicContact CD1-CG1 3.8Å; I702-V843 HydrophobicContact CD1-CG2 3.79Å; I839-V843 PolarHBondContact O-N 3.08Å; V840-V843 PolarHBondContact O-N 2.96Å; V843-G846 PolarHBondContact O-N 3.03Å; V843-R847 HydrophobicContact CG1-CG 4.47Å; V843-R847 WeakPolarHBondContact O-CG 3.49Å; V843-R847 PolarHBondContact O-N 2.84Å; V843-L913 HydrophobicContact CG1-CD2 4.05Å
844M93Very high90.9Very high32 Ų3210.9 Ų10.916%0.1586%0.056CC..Hα-helixtrans-61.8-46.6-178.6-163.7-166.3-66.100111.6V840 K841 R847 N848 P908 V910 L912 L913V840-M844 PolarHBondContact O-N 3.12Å; K841-M844 WeakPolarHBondContact O-CB 3.5Å; K841-M844 PolarHBondContact O-N 3.42Å; M844-R847 PolarHBondContact O-N 3.31Å; M844-N848 WeakPolarHBondContact O-CB 3.36Å; M844-N848 PolarHBondContact O-N 3.06Å; M844-P908 HydrophobicContact CG-CB 3.81Å; M844-P908 HydrophobicContact SD-CB 3.86Å; M844-P908 HydrophobicContact SD-CG 4.33Å; M844-V910 HydrophobicContact CE-CG2 4.42Å; M844-L912 HydrophobicContact CG-CB 4.4Å; M844-L912 HydrophobicContact CG-CD1 4.32Å; M844-L913 HydrophobicContact CB-CD2 4.27Å; M844-L913 HydrophobicContact CE-CD1 3.63Å; M844-L913 HydrophobicContact CE-CG 4.18Å; M844-L913 HydrophobicContact CG-CG 4.48Å
845W92.5Very high91.2Very high12 Ų1211.5 Ų11.55%0.0456%0.058CC..Hα-helixtrans-63.5-42.7174.4-84.1107.7000112.4Y432 R436 M437 D440 K841 R847 N848 V849 P908Y432-W845 HydrophobicContact CD1-CZ3 4.41Å; Y432-W845 HydrophobicContact CE1-CH2 4.25Å; Y432-W845 HydrophobicContact CE1-CZ3 4.26Å; R436-W845 HydrophobicContact CB-CE3 4.48Å; R436-W845 HydrophobicContact CB-CH2 3.36Å; R436-W845 HydrophobicContact CB-CZ2 3.35Å; R436-W845 HydrophobicContact CB-CZ3 3.94Å; R436-W845 HydrophobicContact CG-CH2 3.69Å; R436-W845 HydrophobicContact CG-CZ2 4.09Å; R436-W845 HydrophobicContact CG-CZ3 4.34Å; M437-W845 HydrophobicContact CE-CB 3.4Å; M437-W845 VanDerWaalsContact CE-CB 3.4Å; M437-W845 HydrophobicContact CE-CG 4.4Å; M437-W845 HydrophobicContact CG-CB 3.76Å; M437-W845 HydrophobicContact CG-CD2 4.38Å; M437-W845 HydrophobicContact CG-CG 3.71Å; M437-W845 HydrophobicContact SD-CB 4.29Å; D440-W845 PolarHBondContact OD2-NE1 3.22Å; K841-W845 PolarHBondContact O-N 3.43Å; W845-R847 VanDerWaalsContact C-N 3.35Å; W845-R847 PolarHBondContact O-N 3.11Å; W845-N848 WeakPolarHBondContact O-CB 3.47Å; W845-N848 PolarHBondContact O-N 3.23Å; W845-N848 VanDerWaalsContact O-N 3.11Å; W845-V849 PolarHBondContact O-N 2.83Å; W845-P908 HydrophobicContact CD2-CG 3.97Å; W845-P908 HydrophobicContact CE3-CG 4.24Å; W845-P908 VanDerWaalsContact CH2-CD 3.41Å; W845-P908 HydrophobicContact CH2-CG 4.08Å; W845-P908 HydrophobicContact CZ2-CG 3.81Å; W845-P908 HydrophobicContact CZ3-CG 4.31Å
846G91.4Very high91.4Very high1 Ų19.9 Ų9.91%0.015%0.05CC..Hα-helixtrans-62.9-38.7177.200000113.4C450 G454 A842 V843 N848 V849 Y850C450-G846 WeakPolarHBondContact O-CA 3.48Å; G454-G846 VanDerWaalsContact CA-C 3.45Å; A842-G846 PolarHBondContact O-N 3.42Å; V843-G846 PolarHBondContact O-N 3.03Å; G846-N848 VanDerWaalsContact C-N 3.33Å; G846-V849 PolarHBondContact O-N 3.32Å; G846-Y850 PolarHBondContact O-N 3.44Å
847R91.4Very high91.4Very high2 Ų29.9 Ų9.91%0.0085%0.049CC..Hα-helixtrans-66.4-35.9172.2-72.1178.1-179.4-163.5-1112.1G454 A700 V843 M844 W845 D851 L912 R915G454-R847 VanDerWaalsContact O-CG 3.25Å; G454-R847 WeakPolarHBondContact O-CG 3.45Å; G454-R847 PolarHBondContact O-NE 3.04Å; A700-R847 PolarHBondContact O-NH2 3.05Å; V843-R847 HydrophobicContact CG1-CG 4.47Å; V843-R847 WeakPolarHBondContact O-CG 3.49Å; V843-R847 PolarHBondContact O-N 2.84Å; M844-R847 PolarHBondContact O-N 3.31Å; W845-R847 VanDerWaalsContact C-N 3.35Å; W845-R847 PolarHBondContact O-N 3.11Å; R847-D851 PolarHBondContact O-N 2.99Å; R847-D851 VanDerWaalsContact O-N 3.1Å; R847-L912 HydrophobicContact CB-CB 4.32Å; R847-L912 WeakPolarHBondContact CD-O 3.37Å; R847-L912 PolarHBondContact NH1-O 3.15Å; R847-R915 PolarHBondContact NH1-O 3Å
848N91.3Very high91.5Very high3 Ų38.1 Ų8.12%0.0164%0.037CC..Hα-helixtrans-67.8-39.6176.8-17263.8000112.6M844 W845 G846 Y850 D851 S852 E906 P908 L912M844-N848 WeakPolarHBondContact O-CB 3.36Å; M844-N848 PolarHBondContact O-N 3.06Å; W845-N848 WeakPolarHBondContact O-CB 3.47Å; W845-N848 PolarHBondContact O-N 3.23Å; W845-N848 VanDerWaalsContact O-N 3.11Å; G846-N848 VanDerWaalsContact C-N 3.33Å; N848-Y850 VanDerWaalsContact C-N 3.34Å; N848-Y850 PolarHBondContact O-N 3.18Å; N848-D851 PolarHBondContact O-N 3.43Å; N848-S852 WeakPolarHBondContact O-CB 3.43Å; N848-S852 PolarHBondContact O-N 3.28Å; N848-S852 PolarHBondContact O-OG 3.03Å; N848-S852 VanDerWaalsContact O-OG 3.12Å; N848-E906 PolarHBondContact ND2-O 2.91Å; N848-P908 HydrophobicContact CB-CB 3.91Å; N848-L912 HydrophobicContact CB-CD1 3.78Å
849V89.3Confident91.5Very high0 Ų08.2 Ų8.20%04%0.037CC..Hα-helixtrans-56.1-48.1174.5169.70000111L430 S433 W845 G846 I853L430-V849 HydrophobicContact CD2-CG1 4Å; L430-V849 HydrophobicContact CD2-CG2 4.49Å; L430-V849 HydrophobicContact CG-CG1 4.25Å; S433-V849 VanDerWaalsContact OG-CG2 3.29Å; S433-V849 WeakPolarHBondContact OG-CG2 3.5Å; W845-V849 PolarHBondContact O-N 2.83Å; G846-V849 PolarHBondContact O-N 3.32Å; V849-I853 HydrophobicContact CG1-CD1 3.7Å; V849-I853 WeakPolarHBondContact O-CB 3.48Å; V849-I853 WeakPolarHBondContact O-CD1 3.48Å; V849-I853 VanDerWaalsContact O-CG1 3.28Å; V849-I853 WeakPolarHBondContact O-CG1 3.5Å; V849-I853 PolarHBondContact O-N 3.46Å; V849-I853 VanDerWaalsContact O-N 3.09Å
850Y87.9Confident91.4Very high13 Ų138.2 Ų8.25%0.0514%0.037CC..Hα-helixtrans-62.4-45.6177.5-173-82.7000112.2L352 G846 N848 I853 T854 Y918 L924L352-Y850 HydrophobicContact CD1-CD2 4.12Å; L352-Y850 HydrophobicContact CD1-CE2 4.01Å; L352-Y850 HydrophobicContact CD2-CD2 4.15Å; G846-Y850 PolarHBondContact O-N 3.44Å; N848-Y850 VanDerWaalsContact C-N 3.34Å; N848-Y850 PolarHBondContact O-N 3.18Å; Y850-I853 PolarHBondContact O-N 3.38Å; Y850-T854 HydrophobicContact CD1-CG2 4.28Å; Y850-T854 HydrophobicContact CE1-CG2 3.9Å; Y850-T854 PolarHBondContact O-N 3.36Å; Y850-T854 PolarHBondContact O-OG1 3.11Å; Y850-Y918 AromaticContact CD1-CD2 3.45Å; Y850-Y918 HydrophobicContact CD1-CD2 3.45Å; Y850-Y918 VanDerWaalsContact CD1-CD2 3.45Å; Y850-Y918 AromaticContact CD1-CE2 3.24Å; Y850-Y918 HydrophobicContact CD1-CE2 3.24Å; Y850-Y918 HydrophobicContact CD1-CG 4.26Å; Y850-Y918 AromaticContact CD1-CZ 3.92Å; Y850-Y918 HydrophobicContact CD2-CD2 4.5Å; Y850-Y918 HydrophobicContact CE1-CD1 4.31Å; Y850-Y918 AromaticContact CE1-CD2 3.63Å; Y850-Y918 HydrophobicContact CE1-CD2 3.63Å; Y850-Y918 HydrophobicContact CE1-CE1 4.28Å; Y850-Y918 AromaticContact CE1-CE2 3.59Å; Y850-Y918 HydrophobicContact CE1-CE2 3.59Å; Y850-Y918 AromaticContact CE1-CG 3.99Å; Y850-Y918 HydrophobicContact CE1-CG 3.99Å; Y850-Y918 AromaticContact CE1-CZ 3.9Å; Y850-Y918 AromaticContact CG-CD2 3.92Å; Y850-Y918 HydrophobicContact CG-CD2 3.92Å; Y850-Y918 HydrophobicContact CG-CE2 4.03Å; Y850-L924 HydrophobicContact CE1-CD1 4.39Å; Y850-L924 HydrophobicContact CE2-CD1 3.81Å; Y850-L924 WeakPolarHBondContact OH-CD1 3.33Å
851D89.3Confident91.2Very high6 Ų69.1 Ų9.13%0.0324%0.042CC..Hα-helixtrans-65.2-45.4179.5-82.716.7000111.6R847 N848 I853 T854 K855 L912 R915 Y918 I993 H994R847-D851 PolarHBondContact O-N 2.99Å; R847-D851 VanDerWaalsContact O-N 3.1Å; N848-D851 PolarHBondContact O-N 3.43Å; D851-I853 VanDerWaalsContact C-N 3.33Å; D851-I853 PolarHBondContact O-N 3.48Å; D851-T854 WeakPolarHBondContact CA-OG1 3.4Å; D851-T854 CarbonylContact O-C 3.59Å; D851-T854 PolarHBondContact O-N 2.9Å; D851-T854 VanDerWaalsContact O-N 3.08Å; D851-T854 PolarHBondContact O-OG1 3.25Å; D851-K855 WeakPolarHBondContact O-CG 3.41Å; D851-K855 PolarHBondContact O-N 3.01Å; D851-L912 VanDerWaalsContact OD2-CD2 3.31Å; D851-L912 WeakPolarHBondContact OD2-CD2 3.44Å; D851-R915 IonicContact OD1-CZ 2.74Å; D851-R915 IonicContact OD1-NH1 2.7Å; D851-R915 IonicContact OD1-NH2 3.86Å; D851-R915 PolarHBondContact OD1-NH2 2.83Å; D851-R915 IonicContact OD2-CZ 3.71Å; D851-R915 VanDerWaalsContact OD2-CZ 3.25Å; D851-R915 IonicContact OD2-NH1 3.68Å; D851-R915 PolarHBondContact OD2-NH1 3.09Å; D851-R915 IonicContact OD2-NH2 3.32Å; D851-R915 PolarHBondContact OD2-NH2 3.42Å; D851-Y918 WeakPolarHBondContact OD1-CE2 3.43Å; D851-Y918 PolarHBondContact OD1-OH 3.36Å; D851-I993 HydrophobicContact CB-CD1 4.36Å; D851-I993 WeakPolarHBondContact O-CD1 3.47Å; D851-H994 IonicContact OD1-CE1 2.63Å; D851-H994 IonicContact OD2-CE1 3.58Å; D851-H994 PolarHBondContact OD2-CE1 2.84Å
852S89.6Confident91.2Very high0 Ų05.8 Ų5.80%03%0.028CC..Hα-helixtrans-61.4-38.9178.2-64.80000112.8N848 T854 K855 F856N848-S852 WeakPolarHBondContact O-CB 3.43Å; N848-S852 PolarHBondContact O-N 3.28Å; N848-S852 PolarHBondContact O-OG 3.03Å; N848-S852 VanDerWaalsContact O-OG 3.12Å; S852-T854 VanDerWaalsContact C-N 3.34Å; S852-K855 PolarHBondContact O-N 2.78Å; S852-F856 PolarHBondContact O-N 3.31Å; S852-F856 VanDerWaalsContact O-N 3.14Å
853I88.1Confident91.1Very high1 Ų15.9 Ų5.91%0.0053%0.028CC..Hα-helixtrans-66.5-36.6173.7-70.5163.3000111.5L352 L356 V426 V849 Y850 D851 L857L352-I853 HydrophobicContact CD2-CB 4.3Å; L352-I853 HydrophobicContact CD2-CD1 3.43Å; L352-I853 VanDerWaalsContact CD2-CD1 3.43Å; L352-I853 HydrophobicContact CD2-CG1 4.46Å; L352-I853 HydrophobicContact CD2-CG2 4.12Å; L356-I853 HydrophobicContact CD1-CG2 3.92Å; V426-I853 HydrophobicContact CB-CD1 4.3Å; V426-I853 HydrophobicContact CG1-CD1 4.36Å; V426-I853 HydrophobicContact CG2-CD1 4.04Å; V426-I853 HydrophobicContact CG2-CG1 4.48Å; V426-I853 HydrophobicContact CG2-CG2 4.46Å; V849-I853 HydrophobicContact CG1-CD1 3.7Å; V849-I853 WeakPolarHBondContact O-CB 3.48Å; V849-I853 WeakPolarHBondContact O-CD1 3.48Å; V849-I853 VanDerWaalsContact O-CG1 3.28Å; V849-I853 WeakPolarHBondContact O-CG1 3.5Å; V849-I853 PolarHBondContact O-N 3.46Å; V849-I853 VanDerWaalsContact O-N 3.09Å; Y850-I853 PolarHBondContact O-N 3.38Å; D851-I853 VanDerWaalsContact C-N 3.33Å; D851-I853 PolarHBondContact O-N 3.48Å; I853-L857 VanDerWaalsContact O-CB 3.29Å; I853-L857 WeakPolarHBondContact O-CB 3.42Å; I853-L857 PolarHBondContact O-N 3.29Å
854T89.8Confident90.9Very high4 Ų46 Ų63%0.0253%0.029CC..Hα-helixtrans-76.2-26.1176.247.20000114Y850 D851 S852 Q858 L924 M929 I993Y850-T854 HydrophobicContact CD1-CG2 4.28Å; Y850-T854 HydrophobicContact CE1-CG2 3.9Å; Y850-T854 PolarHBondContact O-N 3.36Å; Y850-T854 PolarHBondContact O-OG1 3.11Å; D851-T854 WeakPolarHBondContact CA-OG1 3.4Å; D851-T854 CarbonylContact O-C 3.59Å; D851-T854 PolarHBondContact O-N 2.9Å; D851-T854 VanDerWaalsContact O-N 3.08Å; D851-T854 PolarHBondContact O-OG1 3.25Å; S852-T854 VanDerWaalsContact C-N 3.34Å; T854-Q858 WeakPolarHBondContact O-CB 2.83Å; T854-Q858 PolarHBondContact O-N 2.86Å; T854-L924 HydrophobicContact CG2-CD1 3.47Å; T854-L924 VanDerWaalsContact CG2-CD1 3.47Å; T854-L924 HydrophobicContact CG2-CG 4.13Å; T854-M929 VanDerWaalsContact O-CE 3.3Å; T854-M929 WeakPolarHBondContact O-CE 3.49Å; T854-I993 VanDerWaalsContact OG1-CD1 3.23Å; T854-I993 WeakPolarHBondContact OG1-CD1 3.35Å
855K91.1Very high90.8Very high20 Ų206.9 Ų6.99%0.0874%0.037CC..Hα-helixtrans-63.3-53168.1-68.1166.6-160.5161.10110.6D851 S852 L857 Q858 F859 E906 A990 R991 I993D851-K855 WeakPolarHBondContact O-CG 3.41Å; D851-K855 PolarHBondContact O-N 3.01Å; S852-K855 PolarHBondContact O-N 2.78Å; K855-L857 VanDerWaalsContact C-N 3.33Å; K855-L857 PolarHBondContact O-N 2.91Å; K855-Q858 WeakPolarHBondContact O-CB 3.46Å; K855-Q858 PolarHBondContact O-N 3.08Å; K855-Q858 VanDerWaalsContact O-N 3.1Å; K855-F859 PolarHBondContact O-N 2.87Å; K855-F859 VanDerWaalsContact O-N 3.07Å; K855-E906 VanDerWaalsContact CD-OE2 3.3Å; K855-E906 WeakPolarHBondContact CD-OE2 3.29Å; K855-E906 WeakPolarHBondContact CE-OE2 3.31Å; K855-E906 IonicContact NZ-OE2 3.8Å; K855-E906 PolarHBondContact NZ-OE2 3.13Å; K855-A990 WeakPolarHBondContact CB-O 3.21Å; K855-A990 WeakPolarHBondContact CG-O 3.39Å; K855-R991 WeakPolarHBondContact CD-O 3.46Å; K855-R991 WeakPolarHBondContact CE-O 3.42Å; K855-I993 HydrophobicContact CG-CD1 3.62Å; K855-I993 HydrophobicContact CG-CG1 3.75Å
856F91Very high90.8Very high0 Ų06.3 Ų6.30%04%0.035CC..Hα-helixtrans-57-46.3176.1173.7-114000111.7L422 A425 S852 Q858 F859 Q860 D896 A899 S900 L903L422-F856 HydrophobicContact CD2-CD1 3.91Å; L422-F856 HydrophobicContact CD2-CE1 3.71Å; L422-F856 HydrophobicContact CG-CE1 4.27Å; A425-F856 HydrophobicContact CB-CD1 3.4Å; A425-F856 VanDerWaalsContact CB-CD1 3.4Å; A425-F856 HydrophobicContact CB-CE1 3.59Å; A425-F856 HydrophobicContact CB-CG 4.15Å; A425-F856 HydrophobicContact CB-CZ 4.47Å; S852-F856 PolarHBondContact O-N 3.31Å; S852-F856 VanDerWaalsContact O-N 3.14Å; F856-Q858 VanDerWaalsContact C-N 3.31Å; F856-Q858 PolarHBondContact O-N 2.62Å; F856-F859 WeakPolarHBondContact O-CB 3.34Å; F856-F859 PolarHBondContact O-N 2.83Å; F856-Q860 HydrophobicContact CE2-CB 4.31Å; F856-Q860 HydrophobicContact CZ-CB 4.24Å; F856-Q860 HydrophobicContact CZ-CG 4.44Å; F856-Q860 VanDerWaalsContact CZ-OE1 3.28Å; F856-Q860 WeakPolarHBondContact O-CB 3.4Å; F856-Q860 PolarHBondContact O-N 3.29Å; F856-D896 WeakPolarHBondContact CZ-OD1 3.35Å; F856-A899 HydrophobicContact CE2-CB 4.44Å; F856-S900 VanDerWaalsContact CD2-CA 3.47Å; F856-L903 HydrophobicContact CB-CB 4.19Å; F856-L903 HydrophobicContact CB-CD1 4.47Å; F856-L903 HydrophobicContact CD2-CD1 4.45Å
857L90Very high90.7Very high0 Ų06.3 Ų6.30%04%0.035CC..Hα-helixtrans-64.8-31177.3-175.369.3000112.8L356 L359 L422 I853 K855 L861 L924 I925 M929L356-L857 HydrophobicContact CD2-CD2 4.41Å; L359-L857 HydrophobicContact CD2-CD1 3.79Å; L359-L857 HydrophobicContact CD2-CD2 3.62Å; L359-L857 HydrophobicContact CD2-CG 4.29Å; L422-L857 HydrophobicContact CD1-CD1 3.96Å; L422-L857 HydrophobicContact CD2-CB 4.5Å; L422-L857 HydrophobicContact CD2-CD1 3.72Å; L422-L857 HydrophobicContact CG-CD1 4.46Å; I853-L857 VanDerWaalsContact O-CB 3.29Å; I853-L857 WeakPolarHBondContact O-CB 3.42Å; I853-L857 PolarHBondContact O-N 3.29Å; K855-L857 VanDerWaalsContact C-N 3.33Å; K855-L857 PolarHBondContact O-N 2.91Å; L857-L861 HydrophobicContact CD1-CD1 3.77Å; L857-L861 HydrophobicContact CD1-CD2 4.22Å; L857-L861 HydrophobicContact CD1-CG 3.77Å; L857-L861 HydrophobicContact CD2-CD1 4.4Å; L857-L861 HydrophobicContact CG-CD1 3.74Å; L857-L861 HydrophobicContact CG-CG 4.11Å; L857-L861 VanDerWaalsContact O-CB 3.26Å; L857-L861 WeakPolarHBondContact O-CB 3.28Å; L857-L861 WeakPolarHBondContact O-CG 3.31Å; L857-L861 PolarHBondContact O-N 2.92Å; L857-L861 VanDerWaalsContact O-N 3.12Å; L857-L924 HydrophobicContact CD2-CD2 3.55Å; L857-L924 HydrophobicContact CD2-CG 3.85Å; L857-I925 HydrophobicContact CD2-CG1 4.44Å; L857-M929 HydrophobicContact CB-CE 3.77Å; L857-M929 HydrophobicContact CD2-CE 3.86Å; L857-M929 HydrophobicContact CG-CE 3.7Å
858Q92.9Very high90.5Very high1 Ų17.2 Ų7.21%0.0054%0.04CC..Hα-helixtrans-66.6-47.3175.2-171.4-177.1-74.300110.1T854 K855 F856 T862 M929 N932 I933T854-Q858 WeakPolarHBondContact O-CB 2.83Å; T854-Q858 PolarHBondContact O-N 2.86Å; K855-Q858 WeakPolarHBondContact O-CB 3.46Å; K855-Q858 PolarHBondContact O-N 3.08Å; K855-Q858 VanDerWaalsContact O-N 3.1Å; F856-Q858 VanDerWaalsContact C-N 3.31Å; F856-Q858 PolarHBondContact O-N 2.62Å; Q858-T862 PolarHBondContact O-N 2.95Å; Q858-T862 PolarHBondContact O-OG1 3.45Å; Q858-M929 HydrophobicContact CB-CE 3.88Å; Q858-M929 HydrophobicContact CB-CG 4.14Å; Q858-M929 HydrophobicContact CG-CG 4.09Å; Q858-M929 VanDerWaalsContact N-CE 3.26Å; Q858-N932 HydrophobicContact CG-CB 4.22Å; Q858-N932 PolarHBondContact NE2-ND2 2.91Å; Q858-N932 PolarHBondContact OE1-ND2 2.95Å; Q858-I933 HydrophobicContact CG-CG1 4.01Å
859F93.4Very high90.5Very high2 Ų210.1 Ų10.11%0.0096%0.055CC..Hα-helixtrans-58.6-61.2176.5175.3-107.1000111.2K855 F856 L861 T862 V863 M895 A899 L903 T983 E987 A990K855-F859 PolarHBondContact O-N 2.87Å; K855-F859 VanDerWaalsContact O-N 3.07Å; F856-F859 WeakPolarHBondContact O-CB 3.34Å; F856-F859 PolarHBondContact O-N 2.83Å; F859-L861 PolarHBondContact O-N 3.07Å; F859-T862 WeakPolarHBondContact O-CB 3.34Å; F859-T862 PolarHBondContact O-N 3.39Å; F859-V863 HydrophobicContact CE2-CG2 4.18Å; F859-V863 HydrophobicContact CZ-CG2 4.18Å; F859-V863 PolarHBondContact O-N 2.92Å; F859-M895 HydrophobicContact CE1-CB 4.04Å; F859-M895 WeakPolarHBondContact CE1-O 3.13Å; F859-M895 HydrophobicContact CZ-CB 4.42Å; F859-A899 HydrophobicContact CD1-CB 3.64Å; F859-A899 HydrophobicContact CE1-CB 3.19Å; F859-A899 HydrophobicContact CZ-CB 4.04Å; F859-L903 HydrophobicContact CB-CD1 3.81Å; F859-L903 HydrophobicContact CD1-CD1 4.21Å; F859-L903 HydrophobicContact CG-CD1 4.06Å; F859-T983 WeakPolarHBondContact CE2-O 3.19Å; F859-E987 HydrophobicContact CD2-CB 4.15Å; F859-E987 HydrophobicContact CD2-CG 4.16Å; F859-E987 HydrophobicContact CE2-CB 3.84Å; F859-E987 HydrophobicContact CE2-CG 4.02Å; F859-E987 HydrophobicContact CZ-CB 4.46Å; F859-E987 HydrophobicContact CZ-CG 4.31Å; F859-A990 HydrophobicContact CB-CB 3.6Å; F859-A990 HydrophobicContact CD2-CB 4.33Å; F859-A990 HydrophobicContact CG-CB 4.41Å
860Q91.4Very high90.5Very high0 Ų010.2 Ų10.20%06%0.056CC..Hα-helixtrans-57.2-47.2-175.3-175.617434.900112.5P419 F856 T862 V863 N864 M895 D896P419-Q860 HydrophobicContact CB-CG 4.46Å; F856-Q860 HydrophobicContact CE2-CB 4.31Å; F856-Q860 HydrophobicContact CZ-CB 4.24Å; F856-Q860 HydrophobicContact CZ-CG 4.44Å; F856-Q860 VanDerWaalsContact CZ-OE1 3.28Å; F856-Q860 WeakPolarHBondContact O-CB 3.4Å; F856-Q860 PolarHBondContact O-N 3.29Å; Q860-T862 PolarHBondContact O-N 3.28Å; Q860-V863 PolarHBondContact O-N 2.89Å; Q860-V863 VanDerWaalsContact O-N 3.13Å; Q860-N864 WeakPolarHBondContact CG-OD1 3.29Å; Q860-N864 PolarHBondContact O-N 3.44Å; Q860-N864 PolarHBondContact O-OD1 2.85Å; Q860-M895 HydrophobicContact CG-CE 4.49Å; Q860-D896 PolarHBondContact NE2-OD1 3.45Å; Q860-D896 PolarHBondContact NE2-OD2 3.43Å
861L90.6Very high90.3Very high23 Ų239.6 Ų9.612%0.125%0.053CC..Hα-helixtrans-63-30.8179.4-69.5178.6000113.4I363 L857 F859 C865 I925 I933I363-L861 HydrophobicContact CD1-CD2 3.52Å; I363-L861 HydrophobicContact CG1-CD2 4.33Å; L857-L861 HydrophobicContact CD1-CD1 3.77Å; L857-L861 HydrophobicContact CD1-CD2 4.22Å; L857-L861 HydrophobicContact CD1-CG 3.77Å; L857-L861 HydrophobicContact CD2-CD1 4.4Å; L857-L861 HydrophobicContact CG-CD1 3.74Å; L857-L861 HydrophobicContact CG-CG 4.11Å; L857-L861 VanDerWaalsContact O-CB 3.26Å; L857-L861 WeakPolarHBondContact O-CB 3.28Å; L857-L861 WeakPolarHBondContact O-CG 3.31Å; L857-L861 PolarHBondContact O-N 2.92Å; L857-L861 VanDerWaalsContact O-N 3.12Å; F859-L861 PolarHBondContact O-N 3.07Å; L861-C865 VanDerWaalsContact O-CB 3.26Å; L861-C865 WeakPolarHBondContact O-CB 3.4Å; L861-C865 PolarHBondContact O-N 3.02Å; L861-I925 HydrophobicContact CD1-CD1 3.61Å; L861-I925 HydrophobicContact CD1-CG1 4.22Å; L861-I933 HydrophobicContact CB-CD1 3.92Å; L861-I933 HydrophobicContact CB-CG1 4.37Å; L861-I933 HydrophobicContact CB-CG2 4.43Å; L861-I933 HydrophobicContact CD1-CD1 3.9Å
862T93.1Very high90.1Very high0 Ų013.1 Ų13.10%07%0.068CC..Hα-helixtrans-65.4-47.1175.1-52.10000110Q858 F859 Q860 C865 V866 H936 S937 N986Q858-T862 PolarHBondContact O-N 2.95Å; Q858-T862 PolarHBondContact O-OG1 3.45Å; F859-T862 WeakPolarHBondContact O-CB 3.34Å; F859-T862 PolarHBondContact O-N 3.39Å; Q860-T862 PolarHBondContact O-N 3.28Å; T862-C865 PolarHBondContact O-N 3.45Å; T862-V866 WeakPolarHBondContact O-CG2 3.32Å; T862-V866 PolarHBondContact O-N 3.1Å; T862-V866 VanDerWaalsContact O-N 3.12Å; T862-H936 HydrophobicContact CG2-CB 3.62Å; T862-S937 WeakPolarHBondContact CG2-OG 3.47Å; T862-S937 PolarHBondContact O-OG 3.1Å; T862-N986 WeakPolarHBondContact CG2-ND2 3.47Å
863V91.7Very high89.9Confident2 Ų213.5 Ų13.51%0.0127%0.072CC..Hα-helixtrans-68.7-45-179.8-170.30000111.6F859 Q860 C865 V866 A867 V891 M895 T983F859-V863 HydrophobicContact CE2-CG2 4.18Å; F859-V863 HydrophobicContact CZ-CG2 4.18Å; F859-V863 PolarHBondContact O-N 2.92Å; Q860-V863 PolarHBondContact O-N 2.89Å; Q860-V863 VanDerWaalsContact O-N 3.13Å; V863-C865 VanDerWaalsContact C-N 3.28Å; V863-C865 PolarHBondContact O-N 2.93Å; V863-V866 PolarHBondContact O-N 3.32Å; V863-A867 WeakPolarHBondContact O-CB 3.33Å; V863-A867 PolarHBondContact O-N 3.27Å; V863-V891 HydrophobicContact CG1-CG1 4.11Å; V863-M895 HydrophobicContact CB-CB 4.39Å; V863-M895 HydrophobicContact CB-CE 3.75Å; V863-M895 HydrophobicContact CB-SD 4.13Å; V863-M895 HydrophobicContact CG1-CB 4.16Å; V863-M895 HydrophobicContact CG1-CE 3.7Å; V863-M895 HydrophobicContact CG1-CG 4.45Å; V863-M895 HydrophobicContact CG1-SD 3.47Å; V863-M895 WeakPolarHBondContact CG1-SD 3.4Å; V863-M895 HydrophobicContact CG2-CB 4.47Å; V863-T983 HydrophobicContact CB-CG2 4.37Å; V863-T983 HydrophobicContact CG1-CG2 3.9Å; V863-T983 HydrophobicContact CG2-CG2 3.64Å
864N89.6Confident89.5Confident5 Ų513.5 Ų13.53%0.0277%0.072CC..Hα-helixtrans-54.6-45.4173.5-72.949.4000110.9V416 A417 Q860 V866 I868 M895V416-N864 PolarHBondContact O-ND2 2.88Å; A417-N864 PolarHBondContact O-ND2 2.85Å; Q860-N864 WeakPolarHBondContact CG-OD1 3.29Å; Q860-N864 PolarHBondContact O-N 3.44Å; Q860-N864 PolarHBondContact O-OD1 2.85Å; N864-V866 PolarHBondContact O-N 2.92Å; N864-I868 WeakPolarHBondContact O-CB 3.46Å; N864-I868 VanDerWaalsContact O-CD1 3.32Å; N864-I868 WeakPolarHBondContact O-CD1 3.41Å; N864-I868 WeakPolarHBondContact O-CG1 3.3Å; N864-I868 PolarHBondContact O-N 3.25Å; N864-M895 WeakPolarHBondContact OD1-CE 3.24Å
865C91.2Very high89.1Confident49 Ų4913.3 Ų13.333%0.3317%0.071SC..Hα-helixtrans-63.1-43.6-178.7-168.70000112L861 T862 V863 I869L861-C865 VanDerWaalsContact O-CB 3.26Å; L861-C865 WeakPolarHBondContact O-CB 3.4Å; L861-C865 PolarHBondContact O-N 3.02Å; T862-C865 PolarHBondContact O-N 3.45Å; V863-C865 VanDerWaalsContact C-N 3.28Å; V863-C865 PolarHBondContact O-N 2.93Å; C865-I869 WeakPolarHBondContact O-CB 3.36Å; C865-I869 WeakPolarHBondContact O-CD1 3.41Å; C865-I869 VanDerWaalsContact O-CG1 3.24Å; C865-I869 WeakPolarHBondContact O-CG1 3.48Å; C865-I869 PolarHBondContact O-N 3.07Å
866V92.6Very high88.6Confident0 Ų014.4 Ų14.40%08%0.08CC..Hα-helixtrans-68-51.3178.8174.80000110.4T862 V863 N864 I868 I869 V870 Q940 L941 L979T862-V866 WeakPolarHBondContact O-CG2 3.32Å; T862-V866 PolarHBondContact O-N 3.1Å; T862-V866 VanDerWaalsContact O-N 3.12Å; V863-V866 PolarHBondContact O-N 3.32Å; N864-V866 PolarHBondContact O-N 2.92Å; V866-I868 PolarHBondContact O-N 3.46Å; V866-I869 PolarHBondContact O-N 3.02Å; V866-I869 VanDerWaalsContact O-N 3.17Å; V866-V870 HydrophobicContact CG1-CG2 3.97Å; V866-V870 WeakPolarHBondContact O-CB 3.41Å; V866-V870 VanDerWaalsContact O-CG2 3.28Å; V866-V870 WeakPolarHBondContact O-CG2 3.34Å; V866-V870 PolarHBondContact O-N 2.96Å; V866-Q940 HydrophobicContact CG1-CB 4.01Å; V866-Q940 HydrophobicContact CG2-CB 3.79Å; V866-L941 HydrophobicContact CG1-CD2 4.31Å; V866-L941 HydrophobicContact CG2-CG 4.42Å; V866-L979 HydrophobicContact CG1-CD1 3.96Å
867A88.9Confident88.2Confident2 Ų220.9 Ų20.92%0.01711%0.109CC..Hα-helixtrans-61-40.9-176.700000113V416 V863 A871 M888V416-A867 HydrophobicContact CG1-CB 3.6Å; V863-A867 WeakPolarHBondContact O-CB 3.33Å; V863-A867 PolarHBondContact O-N 3.27Å; A867-A871 WeakPolarHBondContact O-CB 3.1Å; A867-A871 PolarHBondContact O-N 2.87Å; A867-M888 HydrophobicContact CB-CE 4.36Å
868I88.1Confident87.3Confident21 Ų2122.9 Ų22.911%0.10812%0.119CC..Hα-helixtrans-63.9-44.8175.8-66.9167000111V370 A417 N864 V866 F872V370-I868 HydrophobicContact CB-CG2 3.98Å; V370-I868 HydrophobicContact CG1-CG2 3.7Å; V370-I868 HydrophobicContact CG2-CG2 3.99Å; A417-I868 HydrophobicContact CB-CD1 3.56Å; A417-I868 HydrophobicContact CB-CG1 3.91Å; N864-I868 WeakPolarHBondContact O-CB 3.46Å; N864-I868 VanDerWaalsContact O-CD1 3.32Å; N864-I868 WeakPolarHBondContact O-CD1 3.41Å; N864-I868 WeakPolarHBondContact O-CG1 3.3Å; N864-I868 PolarHBondContact O-N 3.25Å; V866-I868 PolarHBondContact O-N 3.46Å; I868-F872 WeakPolarHBondContact O-CB 3.26Å; I868-F872 PolarHBondContact O-N 3.19Å
869I90.7Very high86.2Confident64 Ų6427.6 Ų27.633%0.32814%0.144SC..Hα-helixtrans-70.7-40.5-178.5-67.7169.1000111.1C865 V866 F872 A873 L941 F945C865-I869 WeakPolarHBondContact O-CB 3.36Å; C865-I869 WeakPolarHBondContact O-CD1 3.41Å; C865-I869 VanDerWaalsContact O-CG1 3.24Å; C865-I869 WeakPolarHBondContact O-CG1 3.48Å; C865-I869 PolarHBondContact O-N 3.07Å; V866-I869 PolarHBondContact O-N 3.02Å; V866-I869 VanDerWaalsContact O-N 3.17Å; I869-F872 PolarHBondContact O-N 3.38Å; I869-A873 WeakPolarHBondContact O-CB 3.49Å; I869-A873 PolarHBondContact O-N 2.88Å; I869-L941 HydrophobicContact CB-CD1 4.3Å; I869-L941 HydrophobicContact CB-CD2 3.91Å; I869-L941 HydrophobicContact CD1-CD1 3.87Å; I869-L941 HydrophobicContact CG2-CD1 3.93Å; I869-L941 HydrophobicContact CG2-CD2 3.55Å; I869-L941 HydrophobicContact CG2-CG 4.41Å; I869-F945 HydrophobicContact CG2-CZ 4.18Å
870V89Confident85.1Confident2 Ų229.1 Ų29.11%0.01215%0.153CC..Hα-helixtrans-63-44.8176.5170.60000111V866 G874 P882 L883 L941 I944V866-V870 HydrophobicContact CG1-CG2 3.97Å; V866-V870 WeakPolarHBondContact O-CB 3.41Å; V866-V870 VanDerWaalsContact O-CG2 3.28Å; V866-V870 WeakPolarHBondContact O-CG2 3.34Å; V866-V870 PolarHBondContact O-N 2.96Å; V870-G874 WeakPolarHBondContact O-CA 3.34Å; V870-G874 PolarHBondContact O-N 3.45Å; V870-P882 HydrophobicContact CG1-CG 3.82Å; V870-L883 HydrophobicContact CG1-CD1 4.15Å; V870-L941 HydrophobicContact CG2-CD2 3.75Å; V870-I944 HydrophobicContact CG1-CG2 3.97Å; V870-I944 HydrophobicContact CG2-CB 4.26Å; V870-I944 HydrophobicContact CG2-CG1 4.45Å; V870-I944 HydrophobicContact CG2-CG2 3.69Å
871A83.2Confident84.3Confident0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-68.2-37.4178.200000112.8V413 A867 A875 M888V413-A871 HydrophobicContact CG2-CB 3.45Å; V413-A871 VanDerWaalsContact CG2-CB 3.45Å; A867-A871 WeakPolarHBondContact O-CB 3.1Å; A867-A871 PolarHBondContact O-N 2.87Å; A871-A875 WeakPolarHBondContact O-CB 3.34Å; A871-A875 PolarHBondContact O-N 3.31Å; A871-A875 VanDerWaalsContact O-N 3.1Å; A871-M888 HydrophobicContact CB-CE 4.27Å
872F85.9Confident83.7Confident79 Ų7928.4 Ų28.435%0.34615%0.149SC..Hα-helixtrans-68.6-46.9174.9179.8-97.5000112.3V370 A373 I377 I868 I869 A875 C876V370-F872 HydrophobicContact CG1-CB 3.94Å; V370-F872 HydrophobicContact CG1-CD2 3.88Å; V370-F872 HydrophobicContact CG1-CG 4.19Å; A373-F872 HydrophobicContact CB-CE2 4.21Å; I377-F872 HydrophobicContact CD1-CE2 3.65Å; I377-F872 HydrophobicContact CD1-CZ 3.99Å; I868-F872 WeakPolarHBondContact O-CB 3.26Å; I868-F872 PolarHBondContact O-N 3.19Å; I869-F872 PolarHBondContact O-N 3.38Å; F872-A875 PolarHBondContact O-N 3.45Å; F872-C876 PolarHBondContact O-N 3.22Å; F872-C876 VanDerWaalsContact O-N 3.07Å; F872-C876 PolarHBondContact O-SG 3.29Å
873A86Confident83.1Confident9 Ų928.6 Ų28.67%0.07415%0.15CC..Hα-helixtrans-65.4-41.4177.700000111.5I869 C876 F877 F945I869-A873 WeakPolarHBondContact O-CB 3.49Å; I869-A873 PolarHBondContact O-N 2.88Å; A873-C876 PolarHBondContact O-N 3.45Å; A873-F877 HydrophobicContact CB-CD2 4.16Å; A873-F877 HydrophobicContact CB-CE2 4.16Å; A873-F877 WeakPolarHBondContact O-CD2 3.34Å; A873-F877 PolarHBondContact O-N 3.42Å; A873-F945 HydrophobicContact CB-CE1 3.56Å; A873-F945 HydrophobicContact CB-CZ 3.73Å
874G80.1Confident82.5Confident1 Ų130.3 Ų30.31%0.0116%0.158CC..Hα-helixtrans-51.3-57.817100000111.1V870 C876 F877 L878 D880V870-G874 WeakPolarHBondContact O-CA 3.34Å; V870-G874 PolarHBondContact O-N 3.45Å; G874-C876 PolarHBondContact O-N 3.13Å; G874-F877 PolarHBondContact O-N 3.23Å; G874-L878 CarbonylContact O-C 3.59Å; G874-L878 VanDerWaalsContact O-CA 3.31Å; G874-L878 WeakPolarHBondContact O-CA 3.47Å; G874-L878 VanDerWaalsContact O-CB 3.3Å; G874-L878 WeakPolarHBondContact O-CB 3.15Å; G874-L878 PolarHBondContact O-N 3.47Å; G874-L878 VanDerWaalsContact O-O 3.06Å; G874-D880 CarbonylContact C-O 3.55Å
875A79.9Confident82Confident0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-62.7-21.7178.800000115.9T374 L378 A871 F872T374-A875 HydrophobicContact CG2-CB 3.6Å; L378-A875 HydrophobicContact CD1-CB 3.99Å; L378-A875 HydrophobicContact CD2-CB 3.84Å; L378-A875 HydrophobicContact CG-CB 3.83Å; A871-A875 WeakPolarHBondContact O-CB 3.34Å; A871-A875 PolarHBondContact O-N 3.31Å; A871-A875 VanDerWaalsContact O-N 3.1Å; F872-A875 PolarHBondContact O-N 3.45Å
876C82.2Confident81.5Confident43 Ų4328.5 Ų28.529%0.29115%0.146SC..Hα-helixtrans-81.5-49.2174.6-74.30000112F872 A873 G874F872-C876 PolarHBondContact O-N 3.22Å; F872-C876 VanDerWaalsContact O-N 3.07Å; F872-C876 PolarHBondContact O-SG 3.29Å; A873-C876 PolarHBondContact O-N 3.45Å; G874-C876 PolarHBondContact O-N 3.13Å
877F81.9Confident81.3Confident136 Ų13628.6 Ų28.660%0.59615%0.146SC*.Hα-helixtrans-88.7-49.7-172.4-61.6-61.4000112.1K381 A873 G874 F949K381-F877 PolarHBondContact NZ-O 3.39Å; A873-F877 HydrophobicContact CB-CD2 4.16Å; A873-F877 HydrophobicContact CB-CE2 4.16Å; A873-F877 WeakPolarHBondContact O-CD2 3.34Å; A873-F877 PolarHBondContact O-N 3.42Å; G874-F877 PolarHBondContact O-N 3.23Å; F877-F949 HydrophobicContact CB-CE1 4.33Å; F877-F949 HydrophobicContact CB-CZ 4.03Å; F877-F949 HydrophobicContact CD2-CZ 4.05Å; F877-F949 HydrophobicContact CG-CZ 4.07Å
878L70.2Confident81Confident42 Ų4228.6 Ų28.622%0.2215%0.146CC..SBendtrans-84.9165.9172.5-57.2169.3000109.7K381 G874 D880 P882 L948 Y972K381-L878 PolarHBondContact NZ-O 3.02Å; G874-L878 CarbonylContact O-C 3.59Å; G874-L878 VanDerWaalsContact O-CA 3.31Å; G874-L878 WeakPolarHBondContact O-CA 3.47Å; G874-L878 VanDerWaalsContact O-CB 3.3Å; G874-L878 WeakPolarHBondContact O-CB 3.15Å; G874-L878 PolarHBondContact O-N 3.47Å; G874-L878 VanDerWaalsContact O-O 3.06Å; L878-D880 VanDerWaalsContact C-N 3.28Å; L878-D880 WeakPolarHBondContact CB-O 3.32Å; L878-P882 HydrophobicContact CD1-CB 4.39Å; L878-L948 HydrophobicContact CD1-CD1 3.91Å; L878-L948 HydrophobicContact CD1-CD2 4.01Å; L878-L948 HydrophobicContact CD1-CG 4.11Å; L878-L948 HydrophobicContact CG-CD2 4.36Å; L878-Y972 HydrophobicContact CD1-CE1 4.49Å
879D71.4Confident80.6Confident99 Ų9928 Ų2853%0.52914%0.143SC..SBendtrans-89.66.3172.2-66.6-56.9000113K381K381-D879 WeakPolarHBondContact CD-OD1 3.09Å; K381-D879 WeakPolarHBondContact CE-OD1 3.44Å; K381-D879 IonicContact NZ-OD1 3.79Å; K381-D879 PolarHBondContact NZ-OD1 3.04Å; K381-D879 IonicContact NZ-OD2 2.86Å
880D69.1Low80.4Confident35 Ų3526.3 Ų26.319%0.18713%0.133CC..SBendtrans-149.2165.5177.2-162.35.6000111.1G874 L878 K884G874-D880 CarbonylContact C-O 3.55Å; L878-D880 VanDerWaalsContact C-N 3.28Å; L878-D880 WeakPolarHBondContact CB-O 3.32Å; D880-K884 IonicContact OD2-NZ 2.47Å; D880-K884 PolarHBondContact OD2-NZ 2.85Å
881S75.4Confident80.3Confident5 Ų526.4 Ų26.44%0.03513%0.133CC..  trans-75.3132.5169.5173.60000110.2L883S881-L883 WeakPolarHBondContact CB-O 3.45Å; S881-L883 PolarHBondContact O-N 3.4Å; S881-L883 VanDerWaalsContact O-N 3.07Å; S881-L883 PolarHBondContact OG-N 2.82Å; S881-L883 PolarHBondContact OG-O 2.97Å
882P78.2Confident80.3Confident2 Ų227.2 Ų27.21%0.01314%0.137CC..SBendtrans-67.1-7.8175.230.9-38000113.3V870 L878 L948 Y972V870-P882 HydrophobicContact CG1-CG 3.82Å; L878-P882 HydrophobicContact CD1-CB 4.39Å; P882-L948 HydrophobicContact CB-CD1 3.73Å; P882-L948 HydrophobicContact CG-CD1 3.69Å; P882-Y972 HydrophobicContact CB-CD1 4.08Å; P882-Y972 HydrophobicContact CB-CE1 4.1Å
883L80.9Confident80.1Confident4 Ų424.2 Ų24.22%0.02113%0.125CC..SBendtrans-121.3121.3174.8-60.2169.9000108.9V870 S881 M888 F976 L979V870-L883 HydrophobicContact CG1-CD1 4.15Å; S881-L883 WeakPolarHBondContact CB-O 3.45Å; S881-L883 PolarHBondContact O-N 3.4Å; S881-L883 VanDerWaalsContact O-N 3.07Å; S881-L883 PolarHBondContact OG-N 2.82Å; S881-L883 PolarHBondContact OG-O 2.97Å; L883-M888 HydrophobicContact CB-CG 3.79Å; L883-M888 HydrophobicContact CB-SD 3.85Å; L883-M888 HydrophobicContact CD1-SD 3.62Å; L883-M888 HydrophobicContact CG-SD 4.39Å; L883-F976 HydrophobicContact CD2-CB 4.08Å; L883-F976 HydrophobicContact CD2-CD2 4.29Å; L883-L979 HydrophobicContact CD1-CD2 3.55Å; L883-L979 HydrophobicContact CD2-CD2 4.3Å
884K78.7Confident80.1Confident39 Ų3924 Ų2417%0.1712%0.122CC..  trans-75.3162178.2-64.5-65.3-1721780111.5D880 I886 Q887 M888D880-K884 IonicContact OD2-NZ 2.47Å; D880-K884 PolarHBondContact OD2-NZ 2.85Å; K884-I886 VanDerWaalsContact C-N 3.32Å; K884-I886 PolarHBondContact O-N 3.09Å; K884-Q887 WeakPolarHBondContact O-CB 3.34Å; K884-Q887 PolarHBondContact O-N 3.22Å; K884-Q887 VanDerWaalsContact O-N 3.13Å; K884-M888 PolarHBondContact O-N 3.49Å
885A78.1Confident80.3Confident8 Ų824 Ų247%0.06612%0.122CC..Hα-helixtrans-54.6-43.5-17500000113.7I144 I408 T412 M888 L889I144-A885 HydrophobicContact CD1-CB 4.05Å; I144-A885 HydrophobicContact CG1-CB 4.24Å; I408-A885 HydrophobicContact CG2-CB 3.94Å; T412-A885 HydrophobicContact CG2-CB 4.38Å; A885-M888 PolarHBondContact O-N 2.97Å; A885-L889 VanDerWaalsContact O-CG 3.32Å; A885-L889 WeakPolarHBondContact O-CG 3.36Å; A885-L889 PolarHBondContact O-N 2.86Å
886I81.4Confident80.5Confident7 Ų724.2 Ų24.24%0.03612%0.123CC..Hα-helixtrans-67.6-39.8-179.5-60.7132.3000111.6A143 I144 K884 L889 W890 F1031A143-I886 HydrophobicContact CB-CD1 3.49Å; A143-I886 VanDerWaalsContact CB-CD1 3.49Å; A143-I886 HydrophobicContact CB-CG1 3.89Å; I144-I886 HydrophobicContact CG1-CD1 4.43Å; I144-I886 HydrophobicContact CG1-CG1 4.04Å; K884-I886 VanDerWaalsContact C-N 3.32Å; K884-I886 PolarHBondContact O-N 3.09Å; I886-L889 PolarHBondContact O-N 2.96Å; I886-W890 PolarHBondContact O-N 2.92Å; I886-F1031 HydrophobicContact CG2-CD1 3.76Å; I886-F1031 HydrophobicContact CG2-CE1 3.92Å; I886-F1031 HydrophobicContact CG2-CG 4.4Å
887Q87.3Confident80.3Confident2 Ų222.8 Ų22.81%0.00911%0.113CC..Hα-helixtrans-63.7-41.9176-66.2168.5-8.900111.2K884 W890 V891 F976 F1031 S1032K884-Q887 WeakPolarHBondContact O-CB 3.34Å; K884-Q887 PolarHBondContact O-N 3.22Å; K884-Q887 VanDerWaalsContact O-N 3.13Å; Q887-W890 WeakPolarHBondContact O-CB 3.15Å; Q887-W890 PolarHBondContact O-N 3.04Å; Q887-V891 WeakPolarHBondContact O-CG2 3.33Å; Q887-V891 PolarHBondContact O-N 3.26Å; Q887-F976 HydrophobicContact CB-CD2 3.75Å; Q887-F976 HydrophobicContact CB-CE2 3.67Å; Q887-F976 HydrophobicContact CB-CG 4.42Å; Q887-F976 HydrophobicContact CB-CZ 4.27Å; Q887-F976 HydrophobicContact CG-CD1 4.37Å; Q887-F976 HydrophobicContact CG-CD2 4Å; Q887-F976 HydrophobicContact CG-CE1 4.36Å; Q887-F976 HydrophobicContact CG-CE2 3.98Å; Q887-F976 HydrophobicContact CG-CG 4.2Å; Q887-F976 HydrophobicContact CG-CZ 4.16Å; Q887-F1031 WeakPolarHBondContact CG-O 3.21Å; Q887-F1031 PolarHBondContact NE2-O 3.2Å; Q887-S1032 PolarHBondContact NE2-O 3.29Å; Q887-S1032 VanDerWaalsContact NE2-O 3.15Å
888M83.5Confident80.5Confident3 Ų318.1 Ų18.12%0.0159%0.094CC..Hα-helixtrans-65.7-38.4175.6-74-72.5-91.700112.7T412 V416 A867 A871 L883 K884 A885 V891 N892T412-M888 HydrophobicContact CG2-CB 3.3Å; T412-M888 HydrophobicContact CG2-CG 3.86Å; V416-M888 HydrophobicContact CB-CE 4.2Å; V416-M888 HydrophobicContact CG1-CE 4.32Å; V416-M888 HydrophobicContact CG2-CB 3.98Å; V416-M888 HydrophobicContact CG2-CE 3.91Å; V416-M888 HydrophobicContact CG2-SD 4.35Å; A867-M888 HydrophobicContact CB-CE 4.36Å; A871-M888 HydrophobicContact CB-CE 4.27Å; L883-M888 HydrophobicContact CB-CG 3.79Å; L883-M888 HydrophobicContact CB-SD 3.85Å; L883-M888 HydrophobicContact CD1-SD 3.62Å; L883-M888 HydrophobicContact CG-SD 4.39Å; K884-M888 PolarHBondContact O-N 3.49Å; A885-M888 PolarHBondContact O-N 2.97Å; M888-V891 PolarHBondContact O-N 2.82Å; M888-N892 WeakPolarHBondContact O-CB 3.24Å; M888-N892 PolarHBondContact O-N 2.91Å
889L79.7Confident81.2Confident8 Ų816.2 Ų16.24%0.0428%0.084CC..Hα-helixtrans-65.7-37.4172.8-70167.4000112.3L107 I144 A147 V415 A885 I886 N892 L893L107-L889 HydrophobicContact CD2-CD1 4.02Å; L107-L889 HydrophobicContact CD2-CD2 3.8Å; L107-L889 HydrophobicContact CD2-CG 4.5Å; I144-L889 HydrophobicContact CG2-CD1 4.47Å; A147-L889 HydrophobicContact CB-CD1 3.9Å; V415-L889 HydrophobicContact CG1-CD2 3.92Å; A885-L889 VanDerWaalsContact O-CG 3.32Å; A885-L889 WeakPolarHBondContact O-CG 3.36Å; A885-L889 PolarHBondContact O-N 2.86Å; I886-L889 PolarHBondContact O-N 2.96Å; L889-N892 WeakPolarHBondContact O-CB 3.41Å; L889-N892 PolarHBondContact O-N 3.21Å; L889-L893 PolarHBondContact O-N 3.32Å
890W87.3Confident81.9Confident29 Ų2911.5 Ų11.511%0.116%0.059CC..Hα-helixtrans-65-46173.8174.8-112.2000112.1I886 Q887 N892 L893 I894 F976 L1019 I1023I886-W890 PolarHBondContact O-N 2.92Å; Q887-W890 WeakPolarHBondContact O-CB 3.15Å; Q887-W890 PolarHBondContact O-N 3.04Å; W890-N892 VanDerWaalsContact C-N 3.29Å; W890-N892 PolarHBondContact O-N 2.98Å; W890-L893 HydrophobicContact CE3-CD2 4.16Å; W890-L893 HydrophobicContact CZ3-CD2 4.03Å; W890-L893 PolarHBondContact O-N 2.65Å; W890-I894 HydrophobicContact CD2-CD1 4.21Å; W890-I894 HydrophobicContact CD2-CG1 4.44Å; W890-I894 HydrophobicContact CG-CD1 4.47Å; W890-I894 HydrophobicContact CZ2-CD1 3.77Å; W890-I894 HydrophobicContact CZ2-CG1 4.13Å; W890-I894 PolarHBondContact O-N 3.46Å; W890-F976 AromaticContact CD1-CZ 3.66Å; W890-L1019 HydrophobicContact CH2-CB 3.8Å; W890-L1019 HydrophobicContact CH2-CD1 4.04Å; W890-L1019 HydrophobicContact CH2-CG 4.44Å; W890-L1019 HydrophobicContact CZ2-CB 3.89Å; W890-I1023 HydrophobicContact CD2-CD1 3.73Å; W890-I1023 HydrophobicContact CE3-CD1 4.17Å; W890-I1023 HydrophobicContact CG-CD1 4.31Å; W890-I1023 HydrophobicContact CH2-CD1 3.98Å; W890-I1023 HydrophobicContact CZ2-CD1 3.49Å; W890-I1023 VanDerWaalsContact CZ2-CD1 3.49Å; W890-I1023 HydrophobicContact CZ3-CD1 4.29Å
891V86.8Confident82.5Confident4 Ų411.5 Ų11.52%0.0246%0.059CC..Hα-helixtrans-56.9-44.1172.7171.50000110.4V863 Q887 M888 I894 M895 F976 V980V863-V891 HydrophobicContact CG1-CG1 4.11Å; Q887-V891 WeakPolarHBondContact O-CG2 3.33Å; Q887-V891 PolarHBondContact O-N 3.26Å; M888-V891 PolarHBondContact O-N 2.82Å; V891-I894 PolarHBondContact O-N 3.3Å; V891-M895 HydrophobicContact CG1-SD 3.77Å; V891-M895 WeakPolarHBondContact O-CB 3.23Å; V891-M895 WeakPolarHBondContact O-CG 3.22Å; V891-M895 PolarHBondContact O-N 2.9Å; V891-F976 HydrophobicContact CG2-CE2 4.21Å; V891-V980 HydrophobicContact CG2-CG2 4.02Å
892N83.2Confident83.1Confident16 Ų1611.2 Ų11.29%0.0866%0.057CC..Hα-helixtrans-58.9-47.6175.5-163.92.4000112.6V415 V416 M888 L889 W890 I894 M895 D896V415-N892 WeakPolarHBondContact CG1-ND2 3.44Å; V415-N892 PolarHBondContact O-ND2 2.79Å; V416-N892 HydrophobicContact CG2-CB 4.41Å; M888-N892 WeakPolarHBondContact O-CB 3.24Å; M888-N892 PolarHBondContact O-N 2.91Å; L889-N892 WeakPolarHBondContact O-CB 3.41Å; L889-N892 PolarHBondContact O-N 3.21Å; W890-N892 VanDerWaalsContact C-N 3.29Å; W890-N892 PolarHBondContact O-N 2.98Å; N892-I894 VanDerWaalsContact C-N 3.34Å; N892-I894 PolarHBondContact O-N 2.97Å; N892-M895 WeakPolarHBondContact O-CG 3.42Å; N892-M895 PolarHBondContact O-N 2.87Å; N892-D896 VanDerWaalsContact O-CB 3.29Å; N892-D896 WeakPolarHBondContact O-CB 3.14Å; N892-D896 PolarHBondContact O-N 3.48Å
893L82.1Confident83.6Confident16 Ų1611.2 Ų11.28%0.0846%0.057CC..Iπ-helixtrans-59.8-43.1179.8-175.267000112.2V150 V151 V154 L889 W890 T897 L898V150-L893 HydrophobicContact CG1-CD2 4.38Å; V151-L893 HydrophobicContact CG2-CD1 4.4Å; V154-L893 HydrophobicContact CB-CD1 4.26Å; V154-L893 HydrophobicContact CG1-CD1 4.23Å; L889-L893 PolarHBondContact O-N 3.32Å; W890-L893 HydrophobicContact CE3-CD2 4.16Å; W890-L893 HydrophobicContact CZ3-CD2 4.03Å; W890-L893 PolarHBondContact O-N 2.65Å; L893-T897 WeakPolarHBondContact O-CB 3.29Å; L893-T897 PolarHBondContact O-N 3.5Å; L893-L898 PolarHBondContact O-N 2.95Å; L893-L898 VanDerWaalsContact O-N 3.16Å
894I84.2Confident83.8Confident5 Ų511 Ų113%0.0266%0.056CC..Iπ-helixtrans-61.8-57.5173.3-66.7172.8000110.2W890 V891 N892 D896 L898 A899 V980 T1016W890-I894 HydrophobicContact CD2-CD1 4.21Å; W890-I894 HydrophobicContact CD2-CG1 4.44Å; W890-I894 HydrophobicContact CG-CD1 4.47Å; W890-I894 HydrophobicContact CZ2-CD1 3.77Å; W890-I894 HydrophobicContact CZ2-CG1 4.13Å; W890-I894 PolarHBondContact O-N 3.46Å; V891-I894 PolarHBondContact O-N 3.3Å; N892-I894 VanDerWaalsContact C-N 3.34Å; N892-I894 PolarHBondContact O-N 2.97Å; I894-D896 VanDerWaalsContact C-N 3.33Å; I894-D896 PolarHBondContact O-N 3.44Å; I894-L898 PolarHBondContact O-N 2.88Å; I894-A899 WeakPolarHBondContact O-CB 3.34Å; I894-A899 PolarHBondContact O-N 3.11Å; I894-V980 HydrophobicContact CD1-CG1 3.93Å; I894-T1016 HydrophobicContact CB-CG2 4.37Å; I894-T1016 HydrophobicContact CD1-CG2 3.51Å; I894-T1016 HydrophobicContact CG1-CG2 3.61Å; I894-T1016 HydrophobicContact CG2-CG2 3.88Å
895M85.4Confident84.1Confident2 Ų29.4 Ų9.41%0.015%0.05CC..Iπ-helixtrans-73.2-25.1-164.272.2-167-99.600113.9V416 F859 Q860 V863 N864 V891 N892V416-M895 HydrophobicContact CG1-CE 4.48Å; V416-M895 HydrophobicContact CG1-SD 4.42Å; F859-M895 HydrophobicContact CE1-CB 4.04Å; F859-M895 WeakPolarHBondContact CE1-O 3.13Å; F859-M895 HydrophobicContact CZ-CB 4.42Å; Q860-M895 HydrophobicContact CG-CE 4.49Å; V863-M895 HydrophobicContact CB-CB 4.39Å; V863-M895 HydrophobicContact CB-CE 3.75Å; V863-M895 HydrophobicContact CB-SD 4.13Å; V863-M895 HydrophobicContact CG1-CB 4.16Å; V863-M895 HydrophobicContact CG1-CE 3.7Å; V863-M895 HydrophobicContact CG1-CG 4.45Å; V863-M895 HydrophobicContact CG1-SD 3.47Å; V863-M895 WeakPolarHBondContact CG1-SD 3.4Å; V863-M895 HydrophobicContact CG2-CB 4.47Å; N864-M895 WeakPolarHBondContact OD1-CE 3.24Å; V891-M895 HydrophobicContact CG1-SD 3.77Å; V891-M895 WeakPolarHBondContact O-CB 3.23Å; V891-M895 WeakPolarHBondContact O-CG 3.22Å; V891-M895 PolarHBondContact O-N 2.9Å; N892-M895 WeakPolarHBondContact O-CG 3.42Å; N892-M895 PolarHBondContact O-N 2.87Å
896D83.2Confident84.4Confident4 Ų49.9 Ų9.92%0.0215%0.05CC..Iπ-helixtrans-104.6-53.6-175.7-155.42.4000110.7E420 G421 F856 Q860 N892 I894 S900E420-D896 PolarHBondContact N-OD2 3.27Å; G421-D896 WeakPolarHBondContact CA-OD1 3.32Å; G421-D896 PolarHBondContact N-OD1 3.4Å; G421-D896 PolarHBondContact N-OD2 2.85Å; F856-D896 WeakPolarHBondContact CZ-OD1 3.35Å; Q860-D896 PolarHBondContact NE2-OD1 3.45Å; Q860-D896 PolarHBondContact NE2-OD2 3.43Å; N892-D896 VanDerWaalsContact O-CB 3.29Å; N892-D896 WeakPolarHBondContact O-CB 3.14Å; N892-D896 PolarHBondContact O-N 3.48Å; I894-D896 VanDerWaalsContact C-N 3.33Å; I894-D896 PolarHBondContact O-N 3.44Å; D896-S900 WeakPolarHBondContact O-CB 3.39Å; D896-S900 PolarHBondContact O-N 3.06Å; D896-S900 PolarHBondContact O-OG 3.27Å
897T79.5Confident84.7Confident12 Ų1213.2 Ų13.27%0.0747%0.066CC..Iπ-helixtrans-87.2-46.4-170.4-59.40000113.3V154 N158 L893 S900 L901V154-T897 HydrophobicContact CG1-CG2 3.68Å; N158-T897 WeakPolarHBondContact ND2-CG2 3.29Å; L893-T897 WeakPolarHBondContact O-CB 3.29Å; L893-T897 PolarHBondContact O-N 3.5Å; T897-S900 PolarHBondContact O-OG 3.17Å; T897-S900 VanDerWaalsContact O-OG 3.09Å; T897-L901 PolarHBondContact O-N 2.7Å
898L84.3Confident84.7Confident38 Ų3814.1 Ų14.120%0.1997%0.072CC..Iπ-helixtrans-75-45.8179.8-63.8-179.4000111.4L893 I894 S900 L901 A902 I1012L893-L898 PolarHBondContact O-N 2.95Å; L893-L898 VanDerWaalsContact O-N 3.16Å; I894-L898 PolarHBondContact O-N 2.88Å; L898-S900 PolarHBondContact O-N 2.86Å; L898-L901 PolarHBondContact O-N 3.31Å; L898-A902 PolarHBondContact O-N 2.98Å; L898-I1012 HydrophobicContact CB-CG2 3.9Å
899A86.2Confident84.8Confident2 Ų215.9 Ų15.92%0.0178%0.084CC..Hα-helixtrans-67.5-32.1178.700000113.5F856 F859 I894 L901 A902 L903F856-A899 HydrophobicContact CE2-CB 4.44Å; F859-A899 HydrophobicContact CD1-CB 3.64Å; F859-A899 HydrophobicContact CE1-CB 3.19Å; F859-A899 HydrophobicContact CZ-CB 4.04Å; I894-A899 WeakPolarHBondContact O-CB 3.34Å; I894-A899 PolarHBondContact O-N 3.11Å; A899-L901 VanDerWaalsContact C-N 3.35Å; A899-A902 PolarHBondContact O-N 3.25Å; A899-L903 WeakPolarHBondContact O-CB 3.16Å; A899-L903 WeakPolarHBondContact O-CG 3.21Å; A899-L903 PolarHBondContact O-N 3.48Å
900S84.8Confident85.1Confident0 Ų020.1 Ų20.10%011%0.111CC..Hα-helixtrans-63-43.2171.658.70000111.2F856 D896 T897 L898 A902 A904F856-S900 VanDerWaalsContact CD2-CA 3.47Å; D896-S900 WeakPolarHBondContact O-CB 3.39Å; D896-S900 PolarHBondContact O-N 3.06Å; D896-S900 PolarHBondContact O-OG 3.27Å; T897-S900 PolarHBondContact O-OG 3.17Å; T897-S900 VanDerWaalsContact O-OG 3.09Å; L898-S900 PolarHBondContact O-N 2.86Å; S900-A902 PolarHBondContact O-N 3.42Å; S900-A904 WeakPolarHBondContact O-CA 3.23Å; S900-A904 WeakPolarHBondContact O-CB 3.5Å; S900-A904 PolarHBondContact O-N 3.45Å
901L83.1Confident85Confident35 Ų3523.6 Ų23.618%0.18313%0.128CC..Hα-helixtrans-64.3-38.8176.6-176.362.4000112.4L428 T897 L898 A899 T905 L1008 I1012L428-L901 HydrophobicContact CD1-CD1 4.19Å; T897-L901 PolarHBondContact O-N 2.7Å; L898-L901 PolarHBondContact O-N 3.31Å; A899-L901 VanDerWaalsContact C-N 3.35Å; L901-T905 HydrophobicContact CD1-CG2 4.45Å; L901-T905 VanDerWaalsContact O-CG2 3.23Å; L901-T905 WeakPolarHBondContact O-CG2 3.27Å; L901-T905 PolarHBondContact O-OG1 3.37Å; L901-L1008 HydrophobicContact CD1-CD2 4.11Å; L901-L1008 HydrophobicContact CG-CD2 4.06Å; L901-I1012 HydrophobicContact CB-CD1 4.02Å; L901-I1012 HydrophobicContact CD2-CD1 3.85Å; L901-I1012 HydrophobicContact CG-CD1 3.77Å
902A87.4Confident85.1Confident0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-69.5-48178.700000113.1L898 A899 S900 T905 E987 N1006 F1009 I1012L898-A902 PolarHBondContact O-N 2.98Å; A899-A902 PolarHBondContact O-N 3.25Å; S900-A902 PolarHBondContact O-N 3.42Å; A902-T905 PolarHBondContact O-OG1 2.79Å; A902-E987 WeakPolarHBondContact CB-OE1 3.3Å; A902-N1006 PolarHBondContact O-ND2 3.39Å; A902-F1009 HydrophobicContact CB-CD2 3.79Å; A902-F1009 HydrophobicContact CB-CE2 4.41Å; A902-F1009 HydrophobicContact CB-CG 4.48Å; A902-I1012 HydrophobicContact CB-CB 4.27Å; A902-I1012 HydrophobicContact CB-CD1 3.92Å; A902-I1012 HydrophobicContact CB-CG2 4.14Å
903L89Confident85.4Confident1 Ų123.4 Ų23.41%0.00513%0.127CC..Hα-helixtrans-84.5-31.2-174.6-66171.8000113.6F856 F859 A899 T905 E987 R991 F1009F856-L903 HydrophobicContact CB-CB 4.19Å; F856-L903 HydrophobicContact CB-CD1 4.47Å; F856-L903 HydrophobicContact CD2-CD1 4.45Å; F859-L903 HydrophobicContact CB-CD1 3.81Å; F859-L903 HydrophobicContact CD1-CD1 4.21Å; F859-L903 HydrophobicContact CG-CD1 4.06Å; A899-L903 WeakPolarHBondContact O-CB 3.16Å; A899-L903 WeakPolarHBondContact O-CG 3.21Å; A899-L903 PolarHBondContact O-N 3.48Å; L903-T905 PolarHBondContact O-N 3.21Å; L903-E987 HydrophobicContact CD1-CG 4.16Å; L903-E987 HydrophobicContact CD2-CG 4.41Å; L903-E987 HydrophobicContact CG-CG 4.37Å; L903-R991 HydrophobicContact CD2-CG 3.53Å; L903-F1009 HydrophobicContact CD2-CD2 4.18Å; L903-F1009 HydrophobicContact CD2-CE2 3.74Å; L903-F1009 HydrophobicContact CG-CE2 4.43Å
904A85.2Confident85.8Confident0 Ų026.7 Ų26.70%014%0.144CC..THydrogen-bonded Turntrans-70.7-17.1-179.400000114.3S429 S900S429-A904 PolarHBondContact OG-O 3.36Å; S900-A904 WeakPolarHBondContact O-CA 3.23Å; S900-A904 WeakPolarHBondContact O-CB 3.5Å; S900-A904 PolarHBondContact O-N 3.45Å
905T85Confident85.9Confident6 Ų629 Ų294%0.03715%0.153CC..THydrogen-bonded Turntrans-101.18.2-170.854.30000114.4Y432 L901 A902 L903 L1008Y432-T905 HydrophobicContact CD2-CG2 3.88Å; Y432-T905 WeakPolarHBondContact CE1-O 3.03Å; Y432-T905 HydrophobicContact CE2-CG2 4.3Å; Y432-T905 HydrophobicContact CG-CG2 4.15Å; L901-T905 HydrophobicContact CD1-CG2 4.45Å; L901-T905 VanDerWaalsContact O-CG2 3.23Å; L901-T905 WeakPolarHBondContact O-CG2 3.27Å; L901-T905 PolarHBondContact O-OG1 3.37Å; A902-T905 PolarHBondContact O-OG1 2.79Å; L903-T905 PolarHBondContact O-N 3.21Å; T905-L1008 HydrophobicContact CG2-CD2 4.02Å
906E84.5Confident86Confident17 Ų1732.1 Ų32.18%0.07918%0.179CC..PPolyproline II helixtrans-67.3145180-165164.4-140.600112.6N848 K855 R991N848-E906 PolarHBondContact ND2-O 2.91Å; K855-E906 VanDerWaalsContact CD-OE2 3.3Å; K855-E906 WeakPolarHBondContact CD-OE2 3.29Å; K855-E906 WeakPolarHBondContact CE-OE2 3.31Å; K855-E906 IonicContact NZ-OE2 3.8Å; K855-E906 PolarHBondContact NZ-OE2 3.13Å; E906-R991 IonicContact OE1-CZ 2.66Å; E906-R991 VanDerWaalsContact OE1-CZ 3.22Å; E906-R991 IonicContact OE1-NE 3.38Å; E906-R991 PolarHBondContact OE1-NE 3.44Å; E906-R991 IonicContact OE1-NH2 3.22Å; E906-R991 PolarHBondContact OE1-NH2 2.89Å
907Q86.7Confident86.1Confident78 Ų7833.1 Ų33.136%0.36419%0.185SC..PPolyproline II helixtrans-82.9148.8-176.8-66.4-1776.600112.6R1005Q907-R1005 PolarHBondContact NE2-O 3.47Å
908P88.5Confident85.9Confident20 Ų2034 Ų3413%0.1319%0.188CC..PPolyproline II helixtrans-62.7151.2176.525.2-34.6000113.2M844 W845 N848 L912M844-P908 HydrophobicContact CG-CB 3.81Å; M844-P908 HydrophobicContact SD-CB 3.86Å; M844-P908 HydrophobicContact SD-CG 4.33Å; W845-P908 HydrophobicContact CD2-CG 3.97Å; W845-P908 HydrophobicContact CE3-CG 4.24Å; W845-P908 VanDerWaalsContact CH2-CD 3.41Å; W845-P908 HydrophobicContact CH2-CG 4.08Å; W845-P908 HydrophobicContact CZ2-CG 3.81Å; W845-P908 HydrophobicContact CZ3-CG 4.31Å; N848-P908 HydrophobicContact CB-CB 3.91Å; P908-L912 HydrophobicContact CB-CD1 3.94Å
909S85.4Confident85.5Confident40 Ų4033 Ų3328%0.2819%0.187SC..  trans-114.3155.1168.266.70000111.2E911 L912S909-E911 PolarHBondContact O-N 2.94Å; S909-L912 VanDerWaalsContact O-CB 3.28Å; S909-L912 WeakPolarHBondContact O-CB 3.21Å; S909-L912 VanDerWaalsContact O-CG 3.29Å; S909-L912 WeakPolarHBondContact O-CG 3.29Å; S909-L912 PolarHBondContact O-N 2.76Å
910V85.8Confident84.8Confident98 Ų9836 Ų3659%0.59420%0.197SC*.G310 helixtrans-65.7-28.3178.2-174.90000111.6M844 L912 L913M844-V910 HydrophobicContact CE-CG2 4.42Å; V910-L912 PolarHBondContact O-N 3.34Å; V910-L913 WeakPolarHBondContact O-CB 3.48Å; V910-L913 PolarHBondContact O-N 3.35Å
911E85.9Confident84.2Confident102 Ų10241.7 Ų41.748%0.47723%0.233SC..G310 helixtrans-52.5-26.2172.7-59170.1-173.400113S909 L913 D914 Q996S909-E911 PolarHBondContact O-N 2.94Å; E911-L913 PolarHBondContact O-N 2.9Å; E911-D914 PolarHBondContact O-N 2.66Å; E911-Q996 PolarHBondContact OE2-NE2 2.94Å
912L87.9Confident83.9Confident8 Ų843.9 Ų43.94%0.04224%0.242CC..G310 helixtrans-61.4-21.1174.9-63.5175.1000112.9M844 R847 N848 D851 P908 S909 V910M844-L912 HydrophobicContact CG-CB 4.4Å; M844-L912 HydrophobicContact CG-CD1 4.32Å; R847-L912 HydrophobicContact CB-CB 4.32Å; R847-L912 WeakPolarHBondContact CD-O 3.37Å; R847-L912 PolarHBondContact NH1-O 3.15Å; N848-L912 HydrophobicContact CB-CD1 3.78Å; D851-L912 VanDerWaalsContact OD2-CD2 3.31Å; D851-L912 WeakPolarHBondContact OD2-CD2 3.44Å; P908-L912 HydrophobicContact CB-CD1 3.94Å; S909-L912 VanDerWaalsContact O-CB 3.28Å; S909-L912 WeakPolarHBondContact O-CB 3.21Å; S909-L912 VanDerWaalsContact O-CG 3.29Å; S909-L912 WeakPolarHBondContact O-CG 3.29Å; S909-L912 PolarHBondContact O-N 2.76Å; V910-L912 PolarHBondContact O-N 3.34Å
913L89.8Confident83.7Confident7 Ų748.2 Ų48.24%0.03727%0.27CS..G310 helixtrans-90.4-4.4176.6-59.4-179.6000113.6A700 V840 V843 M844 V910 E911 R915A700-L913 WeakPolarHBondContact CA-O 3.47Å; A700-L913 HydrophobicContact CB-CB 4.36Å; A700-L913 HydrophobicContact CB-CD2 4.32Å; A700-L913 WeakPolarHBondContact CB-O 3.35Å; A700-L913 PolarHBondContact N-O 3.24Å; V840-L913 HydrophobicContact CG1-CD1 3.67Å; V840-L913 HydrophobicContact CG1-CD2 4.39Å; V843-L913 HydrophobicContact CG1-CD2 4.05Å; M844-L913 HydrophobicContact CB-CD2 4.27Å; M844-L913 HydrophobicContact CE-CD1 3.63Å; M844-L913 HydrophobicContact CE-CG 4.18Å; M844-L913 HydrophobicContact CG-CG 4.48Å; V910-L913 WeakPolarHBondContact O-CB 3.48Å; V910-L913 PolarHBondContact O-N 3.35Å; E911-L913 PolarHBondContact O-N 2.9Å; L913-R915 VanDerWaalsContact C-N 3.32Å
914D90Very high83.4Confident85 Ų8549 Ų4946%0.45527%0.274SS..SBendtrans-91.35.7-178.5-66.3-21.6000113.5K699 E911K699-D914 WeakPolarHBondContact CD-OD1 3.33Å; K699-D914 WeakPolarHBondContact CE-OD1 3.46Å; K699-D914 IonicContact NZ-OD1 3.68Å; K699-D914 PolarHBondContact NZ-OD1 2.91Å; K699-D914 IonicContact NZ-OD2 2.66Å; E911-D914 PolarHBondContact O-N 2.66Å
915R87.3Confident83.5Confident54 Ų5451.7 Ų51.720%0.20429%0.288CS..SBendtrans-128.8159.2-178.967.9-176.5-165.5-148.3-1112R847 D851 L913 Y918 H994R847-R915 PolarHBondContact NH1-O 3Å; D851-R915 IonicContact OD1-CZ 2.74Å; D851-R915 IonicContact OD1-NH1 2.7Å; D851-R915 IonicContact OD1-NH2 3.86Å; D851-R915 PolarHBondContact OD1-NH2 2.83Å; D851-R915 IonicContact OD2-CZ 3.71Å; D851-R915 VanDerWaalsContact OD2-CZ 3.25Å; D851-R915 IonicContact OD2-NH1 3.68Å; D851-R915 PolarHBondContact OD2-NH1 3.09Å; D851-R915 IonicContact OD2-NH2 3.32Å; D851-R915 PolarHBondContact OD2-NH2 3.42Å; L913-R915 VanDerWaalsContact C-N 3.32Å; R915-Y918 VanDerWaalsContact CZ-OH 3.29Å; R915-Y918 PolarHBondContact NH1-OH 3.07Å; R915-Y918 PolarHBondContact NH2-OH 2.87Å; R915-H994 PolarHBondContact NH1-CE1 2.85Å; R915-H994 VanDerWaalsContact NH1-CE1 3.25Å; R915-H994 PolarHBondContact NH1-NE2 3.42Å
916A86.4Confident83.6Confident68 Ų6853.4 Ų53.456%0.56230%0.3SS*.PPolyproline II helixtrans-67.6155.9171.900000112.1
917P84.8Confident83.6Confident24 Ų2458.4 Ų58.416%0.15632%0.318CS..PPolyproline II helixtrans-65.1152.8174.627.7-35.9000112.6A456 T457A456-P917 WeakPolarHBondContact O-CG 3.42Å; T457-P917 HydrophobicContact CG2-CG 3.75Å
918Y76.6Confident83.6Confident31 Ų3155.9 Ų55.912%0.12231%0.306CS..PPolyproline II helixtrans-73.7130.1175.6-60.1-69.6000110.8N455 Y850 D851 R915 H994N455-Y918 PolarHBondContact OD1-O 3.32Å; Y850-Y918 AromaticContact CD1-CD2 3.45Å; Y850-Y918 HydrophobicContact CD1-CD2 3.45Å; Y850-Y918 VanDerWaalsContact CD1-CD2 3.45Å; Y850-Y918 AromaticContact CD1-CE2 3.24Å; Y850-Y918 HydrophobicContact CD1-CE2 3.24Å; Y850-Y918 HydrophobicContact CD1-CG 4.26Å; Y850-Y918 AromaticContact CD1-CZ 3.92Å; Y850-Y918 HydrophobicContact CD2-CD2 4.5Å; Y850-Y918 HydrophobicContact CE1-CD1 4.31Å; Y850-Y918 AromaticContact CE1-CD2 3.63Å; Y850-Y918 HydrophobicContact CE1-CD2 3.63Å; Y850-Y918 HydrophobicContact CE1-CE1 4.28Å; Y850-Y918 AromaticContact CE1-CE2 3.59Å; Y850-Y918 HydrophobicContact CE1-CE2 3.59Å; Y850-Y918 AromaticContact CE1-CG 3.99Å; Y850-Y918 HydrophobicContact CE1-CG 3.99Å; Y850-Y918 AromaticContact CE1-CZ 3.9Å; Y850-Y918 AromaticContact CG-CD2 3.92Å; Y850-Y918 HydrophobicContact CG-CD2 3.92Å; Y850-Y918 HydrophobicContact CG-CE2 4.03Å; D851-Y918 WeakPolarHBondContact OD1-CE2 3.43Å; D851-Y918 PolarHBondContact OD1-OH 3.36Å; R915-Y918 VanDerWaalsContact CZ-OH 3.29Å; R915-Y918 PolarHBondContact NH1-OH 3.07Å; R915-Y918 PolarHBondContact NH2-OH 2.87Å; Y918-H994 PolarHBondContact OH-NE2 3.09Å
919G74.7Confident83.7Confident17 Ų1755 Ų5518%0.17530%0.3CS..PPolyproline II helixtrans-69.5140179.100000111.7T921 Q922G919-T921 PolarHBondContact O-N 2.79Å; G919-Q922 VanDerWaalsContact O-CB 3.26Å; G919-Q922 WeakPolarHBondContact O-CB 3.4Å; G919-Q922 PolarHBondContact O-N 3.01Å
920R71.6Confident84Confident64 Ų6454.1 Ų54.124%0.24230%0.296CS..THydrogen-bonded Turntrans-51.5-31.1176.6-69.5179.6103.8130-1.9112.9V351 K355 R790 V792 D810V351-R920 HydrophobicContact CG1-CB 4.36Å; V351-R920 HydrophobicContact CG1-CG 4.36Å; V351-R920 HydrophobicContact CG2-CG 4.49Å; V351-R920 VanDerWaalsContact CG2-NE 3.3Å; K355-R920 WeakPolarHBondContact CE-O 3.47Å; K355-R920 PolarHBondContact NZ-O 2.69Å; R790-R920 VanDerWaalsContact NH1-NH1 3.18Å; V792-R920 HydrophobicContact CG2-CG 4.21Å; D810-R920 IonicContact OD1-CZ 2.69Å; D810-R920 IonicContact OD1-NH1 2.63Å; D810-R920 PolarHBondContact OD1-NH1 3.43Å; D810-R920 IonicContact OD1-NH2 2.74Å; D810-R920 IonicContact OD2-NH1 2.67Å
921T72.5Confident84.2Confident121 Ų12150.2 Ų50.274%0.74227%0.271SS*.THydrogen-bonded Turntrans-87.3-7.8178.150.60000115.6G919G919-T921 PolarHBondContact O-N 2.79Å
922Q77.7Confident84.5Confident80 Ų8045.5 Ų45.537%0.37425%0.249SC..SBendtrans-66.5136.6179.8-168.3170.9-8.300110.3K355 G919K355-Q922 PolarHBondContact NZ-O 2.93Å; G919-Q922 VanDerWaalsContact O-CB 3.26Å; G919-Q922 WeakPolarHBondContact O-CB 3.4Å; G919-Q922 PolarHBondContact O-N 3.01Å
923P82.3Confident84.7Confident91 Ų9146 Ų4659%0.59125%0.251SS*.  trans-63144.1175.627.2-35.3000110.5
924L83.1Confident84.9Confident17 Ų1750 Ų509%0.08927%0.272CS..SBendtrans-66.5-45179.9-173.660.6000111.2L352 L356 L359 Y850 T854 L857 S926L352-L924 HydrophobicContact CD1-CD1 3.5Å; L352-L924 VanDerWaalsContact CD1-CD1 3.5Å; L352-L924 HydrophobicContact CD1-CD2 4.13Å; L352-L924 HydrophobicContact CD1-CG 4.49Å; L356-L924 HydrophobicContact CD2-CD2 3.46Å; L356-L924 VanDerWaalsContact CD2-CD2 3.46Å; L356-L924 HydrophobicContact CG-CD2 3.95Å; L359-L924 HydrophobicContact CD2-CD2 4.31Å; Y850-L924 HydrophobicContact CE1-CD1 4.39Å; Y850-L924 HydrophobicContact CE2-CD1 3.81Å; Y850-L924 WeakPolarHBondContact OH-CD1 3.33Å; T854-L924 HydrophobicContact CG2-CD1 3.47Å; T854-L924 VanDerWaalsContact CG2-CD1 3.47Å; T854-L924 HydrophobicContact CG2-CG 4.13Å; L857-L924 HydrophobicContact CD2-CD2 3.55Å; L857-L924 HydrophobicContact CD2-CG 3.85Å; L924-S926 PolarHBondContact O-N 3.49Å
925I87Confident85Confident58 Ų5846.6 Ų46.630%0.29726%0.257SS..SBendtrans-80.2109.9172-55.3172.6000108.7L359 L857 L861 M929 A930L359-I925 HydrophobicContact CD1-CD1 4.24Å; L359-I925 HydrophobicContact CD2-CD1 4.4Å; L857-I925 HydrophobicContact CD2-CG1 4.44Å; L861-I925 HydrophobicContact CD1-CD1 3.61Å; L861-I925 HydrophobicContact CD1-CG1 4.22Å; I925-M929 HydrophobicContact CB-SD 4.26Å; I925-M929 HydrophobicContact CG1-CE 4.49Å; I925-M929 HydrophobicContact CG1-SD 4.27Å; I925-M929 HydrophobicContact CG2-CB 4.34Å; I925-M929 HydrophobicContact CG2-CG 4.3Å; I925-M929 HydrophobicContact CG2-SD 4.16Å; I925-A930 HydrophobicContact CG2-CB 4.02Å
926S86.1Confident85.4Confident41 Ų4144.2 Ų44.229%0.28725%0.248SC..  trans-77.3165.6173.581.90000111.1L924 Q928 M929 A930L924-S926 PolarHBondContact O-N 3.49Å; S926-Q928 VanDerWaalsContact C-N 3.31Å; S926-Q928 PolarHBondContact O-N 3.14Å; S926-Q928 PolarHBondContact OG-N 2.93Å; S926-M929 PolarHBondContact O-N 2.86Å; S926-M929 WeakPolarHBondContact OG-CB 3.29Å; S926-M929 PolarHBondContact OG-N 2.78Å; S926-A930 WeakPolarHBondContact O-CB 3.36Å; S926-A930 PolarHBondContact O-N 2.96Å
927R85.2Confident85.8Confident122 Ų12241.2 Ų41.246%0.4622%0.223SC..Hα-helixtrans-64.6-35.6175.4-66.5-164.7-149.713618112.9A930 K931R927-A930 PolarHBondContact O-N 3.24Å; R927-K931 WeakPolarHBondContact O-CB 3.09Å; R927-K931 PolarHBondContact O-N 2.93Å
928Q87.6Confident86.3Confident25 Ų2545.5 Ų45.512%0.11724%0.244CC..Hα-helixtrans-65.3-42.9174.6177.469.547.300110.6S926 K931 N932 I993 N1059 N1063S926-Q928 VanDerWaalsContact C-N 3.31Å; S926-Q928 PolarHBondContact O-N 3.14Å; S926-Q928 PolarHBondContact OG-N 2.93Å; Q928-K931 WeakPolarHBondContact O-CB 3.3Å; Q928-K931 PolarHBondContact O-N 3.14Å; Q928-K931 VanDerWaalsContact OE1-NZ 3.15Å; Q928-N932 PolarHBondContact NE2-OD1 2.88Å; Q928-N932 PolarHBondContact O-N 2.7Å; Q928-N932 PolarHBondContact O-OD1 2.88Å; Q928-I993 WeakPolarHBondContact CG-O 3.42Å; Q928-N1059 PolarHBondContact NE2-OD1 3.43Å; Q928-N1063 PolarHBondContact OE1-ND2 2.79Å; Q928-N1063 PolarHBondContact OE1-OD1 2.98Å
929M90.4Very high87.2Confident1 Ų145.8 Ų45.81%0.00525%0.245CC..Hα-helixtrans-63.9-43176.1-174.1-174.8-179.800111.7T854 L857 Q858 I925 S926 K931 N932 I933 I993T854-M929 VanDerWaalsContact O-CE 3.3Å; T854-M929 WeakPolarHBondContact O-CE 3.49Å; L857-M929 HydrophobicContact CB-CE 3.77Å; L857-M929 HydrophobicContact CD2-CE 3.86Å; L857-M929 HydrophobicContact CG-CE 3.7Å; Q858-M929 HydrophobicContact CB-CE 3.88Å; Q858-M929 HydrophobicContact CB-CG 4.14Å; Q858-M929 HydrophobicContact CG-CG 4.09Å; Q858-M929 VanDerWaalsContact N-CE 3.26Å; I925-M929 HydrophobicContact CB-SD 4.26Å; I925-M929 HydrophobicContact CG1-CE 4.49Å; I925-M929 HydrophobicContact CG1-SD 4.27Å; I925-M929 HydrophobicContact CG2-CB 4.34Å; I925-M929 HydrophobicContact CG2-CG 4.3Å; I925-M929 HydrophobicContact CG2-SD 4.16Å; S926-M929 PolarHBondContact O-N 2.86Å; S926-M929 WeakPolarHBondContact OG-CB 3.29Å; S926-M929 PolarHBondContact OG-N 2.78Å; M929-K931 VanDerWaalsContact C-N 3.32Å; M929-K931 PolarHBondContact O-N 3.06Å; M929-N932 PolarHBondContact O-N 3.23Å; M929-I933 HydrophobicContact CE-CD1 4.32Å; M929-I933 HydrophobicContact CG-CD1 4.02Å; M929-I933 VanDerWaalsContact O-CG1 3.29Å; M929-I933 WeakPolarHBondContact O-CG1 3.23Å; M929-I933 PolarHBondContact O-N 3.36Å; M929-I993 HydrophobicContact CB-CG2 4.41Å
930A90.4Very high88.2Confident23 Ų2345 Ų4519%0.1924%0.237CC..Hα-helixtrans-62.3-37.3173.500000112.4I925 S926 R927 I934I925-A930 HydrophobicContact CG2-CB 4.02Å; S926-A930 WeakPolarHBondContact O-CB 3.36Å; S926-A930 PolarHBondContact O-N 2.96Å; R927-A930 PolarHBondContact O-N 3.24Å; A930-I934 WeakPolarHBondContact O-CB 3.49Å; A930-I934 VanDerWaalsContact O-CG1 3.29Å; A930-I934 WeakPolarHBondContact O-CG1 3.45Å; A930-I934 PolarHBondContact O-N 3.17Å
931K91.4Very high89.3Confident15 Ų1542.9 Ų42.97%0.06523%0.23CC..Hα-helixtrans-61.4-47.3172.9-169.8-175.571.1-175.20111.8R927 Q928 M929 G935 V1058 V1061 N1063 I1066R927-K931 WeakPolarHBondContact O-CB 3.09Å; R927-K931 PolarHBondContact O-N 2.93Å; Q928-K931 WeakPolarHBondContact O-CB 3.3Å; Q928-K931 PolarHBondContact O-N 3.14Å; Q928-K931 VanDerWaalsContact OE1-NZ 3.15Å; M929-K931 VanDerWaalsContact C-N 3.32Å; M929-K931 PolarHBondContact O-N 3.06Å; K931-G935 WeakPolarHBondContact O-CA 3.44Å; K931-G935 PolarHBondContact O-N 2.85Å; K931-V1058 WeakPolarHBondContact CE-O 3.44Å; K931-V1058 HydrophobicContact CG-CG1 4.21Å; K931-V1058 PolarHBondContact NZ-O 2.89Å; K931-V1061 HydrophobicContact CD-CB 4.27Å; K931-V1061 HydrophobicContact CD-CG1 4.45Å; K931-V1061 WeakPolarHBondContact CD-O 3.38Å; K931-V1061 PolarHBondContact NZ-O 2.87Å; K931-N1063 WeakPolarHBondContact CD-OD1 3.48Å; K931-N1063 WeakPolarHBondContact CE-OD1 3.36Å; K931-N1063 PolarHBondContact NZ-OD1 2.66Å; K931-I1066 HydrophobicContact CB-CD1 3.47Å; K931-I1066 VanDerWaalsContact CB-CD1 3.47Å; K931-I1066 HydrophobicContact CG-CD1 3.96Å
932N92Very high90.3Very high3 Ų339.1 Ų39.12%0.01622%0.216CC..Hα-helixtrans-61-51.6178.1-63.9-1.5000110.2Q858 Q928 M929 I934 G935 H936Q858-N932 HydrophobicContact CG-CB 4.22Å; Q858-N932 PolarHBondContact NE2-ND2 2.91Å; Q858-N932 PolarHBondContact OE1-ND2 2.95Å; Q928-N932 PolarHBondContact NE2-OD1 2.88Å; Q928-N932 PolarHBondContact O-N 2.7Å; Q928-N932 PolarHBondContact O-OD1 2.88Å; M929-N932 PolarHBondContact O-N 3.23Å; N932-I934 PolarHBondContact O-N 2.58Å; N932-G935 PolarHBondContact O-N 3.1Å; N932-H936 WeakPolarHBondContact O-CB 3.4Å; N932-H936 PolarHBondContact O-CD2 3.26Å; N932-H936 PolarHBondContact O-N 2.97Å
933I92.8Very high91.1Very high18 Ų1835.9 Ų35.99%0.09220%0.201CC..Hα-helixtrans-54.8-55.3178.7-67.1161.9000110.9Q858 L861 M929 G935 S937Q858-I933 HydrophobicContact CG-CG1 4.01Å; L861-I933 HydrophobicContact CB-CD1 3.92Å; L861-I933 HydrophobicContact CB-CG1 4.37Å; L861-I933 HydrophobicContact CB-CG2 4.43Å; L861-I933 HydrophobicContact CD1-CD1 3.9Å; M929-I933 HydrophobicContact CE-CD1 4.32Å; M929-I933 HydrophobicContact CG-CD1 4.02Å; M929-I933 VanDerWaalsContact O-CG1 3.29Å; M929-I933 WeakPolarHBondContact O-CG1 3.23Å; M929-I933 PolarHBondContact O-N 3.36Å; I933-G935 PolarHBondContact O-N 2.9Å; I933-S937 WeakPolarHBondContact O-CB 3.32Å; I933-S937 PolarHBondContact O-N 2.94Å; I933-S937 PolarHBondContact O-OG 3.17Å; I933-S937 VanDerWaalsContact O-OG 3.06Å
934I92.6Very high91.5Very high93 Ų9331.6 Ų31.648%0.47717%0.173SC..Hα-helixtrans-65-42.1-177.6-64.8167000111.1A930 N932 S937 L938A930-I934 WeakPolarHBondContact O-CB 3.49Å; A930-I934 VanDerWaalsContact O-CG1 3.29Å; A930-I934 WeakPolarHBondContact O-CG1 3.45Å; A930-I934 PolarHBondContact O-N 3.17Å; N932-I934 PolarHBondContact O-N 2.58Å; I934-S937 PolarHBondContact O-N 2.81Å; I934-L938 HydrophobicContact CG2-CD1 3.85Å; I934-L938 HydrophobicContact CG2-CG 4.29Å; I934-L938 WeakPolarHBondContact O-CB 3.39Å; I934-L938 VanDerWaalsContact O-CG 3.25Å; I934-L938 WeakPolarHBondContact O-CG 3.47Å; I934-L938 PolarHBondContact O-N 3.44Å
935G93.5Very high91.9Very high13 Ų1333.6 Ų33.613%0.13418%0.181CC..Hα-helixtrans-64.9-40.1-178.200000113.6K931 N932 I933 Y939 W1054K931-G935 WeakPolarHBondContact O-CA 3.44Å; K931-G935 PolarHBondContact O-N 2.85Å; N932-G935 PolarHBondContact O-N 3.1Å; I933-G935 PolarHBondContact O-N 2.9Å; G935-Y939 PolarHBondContact O-N 3.16Å; G935-W1054 PolarHBondContact O-NE1 3.47Å
936H95Very high92.1Very high4 Ų434.4 Ų34.42%0.01918%0.183CC..Hα-helixtrans-73.6-44.4174-71.4-63000111.6T862 N932 L938 Y939 Q940 N989 E1051 G1055T862-H936 HydrophobicContact CG2-CB 3.62Å; N932-H936 WeakPolarHBondContact O-CB 3.4Å; N932-H936 PolarHBondContact O-CD2 3.26Å; N932-H936 PolarHBondContact O-N 2.97Å; H936-L938 VanDerWaalsContact C-N 3.27Å; H936-L938 PolarHBondContact O-N 3.41Å; H936-Y939 PolarHBondContact O-N 3.23Å; H936-Y939 VanDerWaalsContact O-N 3.13Å; H936-Q940 PolarHBondContact O-N 2.84Å; H936-N989 PolarHBondContact CE1-ND2 3.45Å; H936-N989 VanDerWaalsContact CE1-ND2 3.26Å; H936-E1051 IonicContact CE1-OE1 3.57Å; H936-E1051 IonicContact CG-OE1 3.6Å; H936-E1051 IonicContact ND1-OE1 2.8Å; H936-E1051 PolarHBondContact ND1-OE1 2.83Å; H936-G1055 VanDerWaalsContact CE1-CA 3.4Å; H936-G1055 WeakPolarHBondContact CE1-CA 3.28Å
937S94.7Very high92.2Very high4 Ų432.5 Ų32.53%0.02817%0.17CC..Hα-helixtrans-59.5-36.4176.1-65.90000112.7T862 I933 I934 L941T862-S937 WeakPolarHBondContact CG2-OG 3.47Å; T862-S937 PolarHBondContact O-OG 3.1Å; I933-S937 WeakPolarHBondContact O-CB 3.32Å; I933-S937 PolarHBondContact O-N 2.94Å; I933-S937 PolarHBondContact O-OG 3.17Å; I933-S937 VanDerWaalsContact O-OG 3.06Å; I934-S937 PolarHBondContact O-N 2.81Å; S937-L941 VanDerWaalsContact O-CB 3.29Å; S937-L941 WeakPolarHBondContact O-CB 3.5Å; S937-L941 WeakPolarHBondContact O-CD1 3.47Å; S937-L941 WeakPolarHBondContact O-CG 3.19Å; S937-L941 PolarHBondContact O-N 2.91Å
938L94.7Very high92.1Very high114 Ų11427.3 Ų27.360%0.59715%0.151SC*.Hα-helixtrans-65.8-39.1175.4-76.5170.8000112.9I934 H936 G942I934-L938 HydrophobicContact CG2-CD1 3.85Å; I934-L938 HydrophobicContact CG2-CG 4.29Å; I934-L938 WeakPolarHBondContact O-CB 3.39Å; I934-L938 VanDerWaalsContact O-CG 3.25Å; I934-L938 WeakPolarHBondContact O-CG 3.47Å; I934-L938 PolarHBondContact O-N 3.44Å; H936-L938 VanDerWaalsContact C-N 3.27Å; H936-L938 PolarHBondContact O-N 3.41Å; L938-G942 PolarHBondContact O-N 3.47Å
939Y96.1Very high91.8Very high38 Ų3830.8 Ų30.815%0.14917%0.166CC..Hα-helixtrans-65.9-50.2175.4172.5-95.3000111.3G935 H936 L941 G942 V943 M982 F1047 G1050 E1051 W1054G935-Y939 PolarHBondContact O-N 3.16Å; H936-Y939 PolarHBondContact O-N 3.23Å; H936-Y939 VanDerWaalsContact O-N 3.13Å; Y939-L941 VanDerWaalsContact C-N 3.34Å; Y939-L941 PolarHBondContact O-N 2.84Å; Y939-G942 PolarHBondContact O-N 3.01Å; Y939-G942 VanDerWaalsContact O-N 3.11Å; Y939-V943 HydrophobicContact CD1-CG2 4.47Å; Y939-V943 HydrophobicContact CD2-CG2 4.46Å; Y939-V943 HydrophobicContact CE1-CG2 4.07Å; Y939-V943 HydrophobicContact CE2-CG2 4.06Å; Y939-V943 WeakPolarHBondContact O-CG2 3.36Å; Y939-V943 PolarHBondContact O-N 2.86Å; Y939-M982 HydrophobicContact CD1-SD 4.33Å; Y939-M982 HydrophobicContact CE1-CG 4.41Å; Y939-M982 HydrophobicContact CE1-SD 3.84Å; Y939-F1047 PolarHBondContact OH-O 3.12Å; Y939-G1050 WeakPolarHBondContact OH-CA 3.39Å; Y939-E1051 HydrophobicContact CD1-CB 4.48Å; Y939-E1051 WeakPolarHBondContact CD1-OE2 3.44Å; Y939-E1051 HydrophobicContact CE1-CB 4.02Å; Y939-W1054 VanDerWaalsContact CB-CD1 3.43Å; Y939-W1054 HydrophobicContact CD2-CB 4.02Å; Y939-W1054 AromaticContact CD2-CD2 3.92Å; Y939-W1054 HydrophobicContact CD2-CD2 3.92Å; Y939-W1054 HydrophobicContact CD2-CE3 4.34Å; Y939-W1054 AromaticContact CD2-CG 3.75Å; Y939-W1054 HydrophobicContact CD2-CG 3.75Å; Y939-W1054 HydrophobicContact CE2-CB 4.34Å; Y939-W1054 HydrophobicContact CG-CB 4.24Å; Y939-W1054 AromaticContact CG-CD1 3.88Å; Y939-W1054 HydrophobicContact CG-CD2 4.43Å; Y939-W1054 AromaticContact CG-CG 3.93Å; Y939-W1054 HydrophobicContact CG-CG 3.93Å
940Q95.4Very high91.5Very high0 Ų036.8 Ų36.80%019%0.189CC..Hα-helixtrans-60.6-42.3178.8-65.5-171.1-5.500111.7V866 H936 V943 I944 M982 E1051V866-Q940 HydrophobicContact CG1-CB 4.01Å; V866-Q940 HydrophobicContact CG2-CB 3.79Å; H936-Q940 PolarHBondContact O-N 2.84Å; Q940-V943 PolarHBondContact O-N 3.06Å; Q940-I944 WeakPolarHBondContact O-CB 3.27Å; Q940-I944 WeakPolarHBondContact O-CG1 3.26Å; Q940-I944 PolarHBondContact O-N 2.84Å; Q940-M982 HydrophobicContact CG-CB 4.25Å; Q940-M982 HydrophobicContact CG-SD 4.18Å; Q940-M982 PolarHBondContact NE2-O 2.77Å; Q940-E1051 WeakPolarHBondContact CG-OE2 3.4Å; Q940-E1051 PolarHBondContact NE2-OE2 2.83Å
941L94.6Very high91Very high19 Ų1935.8 Ų35.810%0.09918%0.181CC..Hα-helixtrans-64.7-40.3174.3-72.3169.5000112.6V866 I869 V870 S937 Y939 I944 F945V866-L941 HydrophobicContact CG1-CD2 4.31Å; V866-L941 HydrophobicContact CG2-CG 4.42Å; I869-L941 HydrophobicContact CB-CD1 4.3Å; I869-L941 HydrophobicContact CB-CD2 3.91Å; I869-L941 HydrophobicContact CD1-CD1 3.87Å; I869-L941 HydrophobicContact CG2-CD1 3.93Å; I869-L941 HydrophobicContact CG2-CD2 3.55Å; I869-L941 HydrophobicContact CG2-CG 4.41Å; V870-L941 HydrophobicContact CG2-CD2 3.75Å; S937-L941 VanDerWaalsContact O-CB 3.29Å; S937-L941 WeakPolarHBondContact O-CB 3.5Å; S937-L941 WeakPolarHBondContact O-CD1 3.47Å; S937-L941 WeakPolarHBondContact O-CG 3.19Å; S937-L941 PolarHBondContact O-N 2.91Å; Y939-L941 VanDerWaalsContact C-N 3.34Å; Y939-L941 PolarHBondContact O-N 2.84Å; L941-I944 PolarHBondContact O-N 2.93Å; L941-F945 HydrophobicContact CB-CD2 4.34Å; L941-F945 HydrophobicContact CB-CE2 4.1Å; L941-F945 HydrophobicContact CD2-CE2 4.07Å; L941-F945 HydrophobicContact CD2-CZ 4.02Å; L941-F945 WeakPolarHBondContact O-CB 3.17Å; L941-F945 WeakPolarHBondContact O-CD2 3.41Å; L941-F945 VanDerWaalsContact O-CG 3.31Å; L941-F945 WeakPolarHBondContact O-CG 3.42Å; L941-F945 PolarHBondContact O-N 3.42Å
942G93.8Very high90.2Very high43 Ų4339.3 Ų39.344%0.44320%0.2SC..Hα-helixtrans-58.9-4917500000112.2L938 Y939 F946L938-G942 PolarHBondContact O-N 3.47Å; Y939-G942 PolarHBondContact O-N 3.01Å; Y939-G942 VanDerWaalsContact O-N 3.11Å; G942-F946 WeakPolarHBondContact O-CB 3.42Å; G942-F946 PolarHBondContact O-N 3.1Å
943V94Very high89.3Confident12 Ų1245.7 Ų45.77%0.07323%0.234CC..Hα-helixtrans-65.5-45.3177.1175.10000111.7Y939 Q940 F946 L947 M982 F1047Y939-V943 HydrophobicContact CD1-CG2 4.47Å; Y939-V943 HydrophobicContact CD2-CG2 4.46Å; Y939-V943 HydrophobicContact CE1-CG2 4.07Å; Y939-V943 HydrophobicContact CE2-CG2 4.06Å; Y939-V943 WeakPolarHBondContact O-CG2 3.36Å; Y939-V943 PolarHBondContact O-N 2.86Å; Q940-V943 PolarHBondContact O-N 3.06Å; V943-F946 PolarHBondContact O-N 3.15Å; V943-L947 HydrophobicContact CG1-CD1 3.9Å; V943-L947 HydrophobicContact CG1-CG 4.37Å; V943-L947 WeakPolarHBondContact O-CB 3.09Å; V943-L947 WeakPolarHBondContact O-CG 3.41Å; V943-L947 PolarHBondContact O-N 3.08Å; V943-M982 HydrophobicContact CB-CE 4.12Å; V943-M982 HydrophobicContact CB-SD 3.82Å; V943-M982 HydrophobicContact CG1-CE 3.87Å; V943-M982 HydrophobicContact CG1-SD 3.76Å; V943-M982 HydrophobicContact CG2-SD 4.1Å; V943-F1047 HydrophobicContact CG1-CB 3.96Å; V943-F1047 HydrophobicContact CG1-CD1 3.71Å; V943-F1047 HydrophobicContact CG1-CD2 4.2Å; V943-F1047 HydrophobicContact CG1-CE1 4.27Å; V943-F1047 HydrophobicContact CG1-CG 3.69Å; V943-F1047 HydrophobicContact CG2-CD1 4.02Å
944I91.7Very high88.3Confident0 Ų048.1 Ų48.10%025%0.246CC..Hα-helixtrans-63.7-47-179.9-66.8-74.1000111V870 Q940 L941 F946 L947 L948 I975 L979 M982V870-I944 HydrophobicContact CG1-CG2 3.97Å; V870-I944 HydrophobicContact CG2-CB 4.26Å; V870-I944 HydrophobicContact CG2-CG1 4.45Å; V870-I944 HydrophobicContact CG2-CG2 3.69Å; Q940-I944 WeakPolarHBondContact O-CB 3.27Å; Q940-I944 WeakPolarHBondContact O-CG1 3.26Å; Q940-I944 PolarHBondContact O-N 2.84Å; L941-I944 PolarHBondContact O-N 2.93Å; I944-F946 VanDerWaalsContact C-N 3.3Å; I944-F946 PolarHBondContact O-N 3.15Å; I944-L947 PolarHBondContact O-N 3.29Å; I944-L948 WeakPolarHBondContact O-CB 3.31Å; I944-L948 PolarHBondContact O-N 2.96Å; I944-I975 HydrophobicContact CD1-CG2 3.93Å; I944-I975 HydrophobicContact CG2-CG2 4.29Å; I944-L979 HydrophobicContact CD1-CB 3.94Å; I944-L979 HydrophobicContact CD1-CD1 4.2Å; I944-L979 HydrophobicContact CG1-CD1 4.47Å; I944-M982 HydrophobicContact CD1-CE 4.01Å; I944-M982 HydrophobicContact CG1-CE 4.04Å
945F90.7Very high87.3Confident59 Ų5944.1 Ų44.126%0.25923%0.225SC..Hα-helixtrans-66.8-33.9177.7-66-38.6000112.4I869 A873 L941 L948 F949I869-F945 HydrophobicContact CG2-CZ 4.18Å; A873-F945 HydrophobicContact CB-CE1 3.56Å; A873-F945 HydrophobicContact CB-CZ 3.73Å; L941-F945 HydrophobicContact CB-CD2 4.34Å; L941-F945 HydrophobicContact CB-CE2 4.1Å; L941-F945 HydrophobicContact CD2-CE2 4.07Å; L941-F945 HydrophobicContact CD2-CZ 4.02Å; L941-F945 WeakPolarHBondContact O-CB 3.17Å; L941-F945 WeakPolarHBondContact O-CD2 3.41Å; L941-F945 VanDerWaalsContact O-CG 3.31Å; L941-F945 WeakPolarHBondContact O-CG 3.42Å; L941-F945 PolarHBondContact O-N 3.42Å; F945-L948 PolarHBondContact O-N 2.97Å; F945-F949 HydrophobicContact CB-CD2 4.37Å; F945-F949 HydrophobicContact CB-CE2 4.48Å; F945-F949 HydrophobicContact CD1-CE2 4.39Å; F945-F949 VanDerWaalsContact O-CD2 3.26Å; F945-F949 WeakPolarHBondContact O-CD2 3.02Å; F945-F949 PolarHBondContact O-N 2.7Å
946F90.7Very high86.1Confident76 Ų7652.7 Ų52.733%0.33326%0.262SS..Hα-helixtrans-62.8-49.9172.8178.8-108.5000111.7G942 V943 I944 L948 F949 Y950 I954G942-F946 WeakPolarHBondContact O-CB 3.42Å; G942-F946 PolarHBondContact O-N 3.1Å; V943-F946 PolarHBondContact O-N 3.15Å; I944-F946 VanDerWaalsContact C-N 3.3Å; I944-F946 PolarHBondContact O-N 3.15Å; F946-L948 VanDerWaalsContact C-N 3.26Å; F946-L948 PolarHBondContact O-N 2.65Å; F946-F949 PolarHBondContact O-N 2.77Å; F946-Y950 HydrophobicContact CD2-CD2 4.06Å; F946-Y950 HydrophobicContact CD2-CG 4.33Å; F946-Y950 HydrophobicContact CE2-CD2 4.5Å; F946-Y950 HydrophobicContact CE2-CG 4.35Å; F946-Y950 WeakPolarHBondContact O-CA 3.38Å; F946-Y950 WeakPolarHBondContact O-CB 3.28Å; F946-Y950 PolarHBondContact O-N 3.33Å; F946-I954 HydrophobicContact CE1-CD1 3.46Å; F946-I954 VanDerWaalsContact CE1-CD1 3.46Å; F946-I954 HydrophobicContact CZ-CD1 3.48Å; F946-I954 VanDerWaalsContact CZ-CD1 3.48Å; F946-I954 HydrophobicContact CZ-CG1 4.41Å
947L88.7Confident84.8Confident1 Ų153.4 Ų53.41%0.00527%0.267CS..Hα-helixtrans-63.4-30.3173.9-68.6172.6000112.8V943 I944 V951 M955 H971 I974 I975 A978 F1047V943-L947 HydrophobicContact CG1-CD1 3.9Å; V943-L947 HydrophobicContact CG1-CG 4.37Å; V943-L947 WeakPolarHBondContact O-CB 3.09Å; V943-L947 WeakPolarHBondContact O-CG 3.41Å; V943-L947 PolarHBondContact O-N 3.08Å; I944-L947 PolarHBondContact O-N 3.29Å; L947-V951 HydrophobicContact CD2-CG2 4.13Å; L947-V951 WeakPolarHBondContact O-CB 3.39Å; L947-M955 HydrophobicContact CD2-CE 4.49Å; L947-H971 PolarHBondContact O-NE2 2.87Å; L947-I974 HydrophobicContact CD1-CG2 4.38Å; L947-I974 HydrophobicContact CD2-CG2 4.15Å; L947-I975 HydrophobicContact CB-CG1 3.98Å; L947-A978 HydrophobicContact CD1-CB 3.66Å; L947-F1047 HydrophobicContact CD1-CD2 4.37Å; L947-F1047 HydrophobicContact CD1-CE2 4.43Å; L947-F1047 HydrophobicContact CD2-CE2 3.93Å; L947-F1047 HydrophobicContact CD2-CZ 4.44Å; L947-F1047 HydrophobicContact CG-CE2 4.48Å
948L83.2Confident83.4Confident13 Ų1356 Ų567%0.06828%0.28CS..Hα-helixtrans-77.3-31.4-177.5-170.3143000113.5L878 P882 I944 F945 F946 I975L878-L948 HydrophobicContact CD1-CD1 3.91Å; L878-L948 HydrophobicContact CD1-CD2 4.01Å; L878-L948 HydrophobicContact CD1-CG 4.11Å; L878-L948 HydrophobicContact CG-CD2 4.36Å; P882-L948 HydrophobicContact CB-CD1 3.73Å; P882-L948 HydrophobicContact CG-CD1 3.69Å; I944-L948 WeakPolarHBondContact O-CB 3.31Å; I944-L948 PolarHBondContact O-N 2.96Å; F945-L948 PolarHBondContact O-N 2.97Å; F946-L948 VanDerWaalsContact C-N 3.26Å; F946-L948 PolarHBondContact O-N 2.65Å; L948-I975 HydrophobicContact CB-CD1 4.08Å; L948-I975 HydrophobicContact CD1-CD1 4.46Å; L948-I975 HydrophobicContact CG-CD1 4.36Å
949F82.3Confident81.5Confident97 Ų9755.2 Ų55.243%0.42528%0.276SS..Hα-helixtrans-111-14.6-178-64-63.3000115.1F877 F945 F946F877-F949 HydrophobicContact CB-CE1 4.33Å; F877-F949 HydrophobicContact CB-CZ 4.03Å; F877-F949 HydrophobicContact CD2-CZ 4.05Å; F877-F949 HydrophobicContact CG-CZ 4.07Å; F945-F949 HydrophobicContact CB-CD2 4.37Å; F945-F949 HydrophobicContact CB-CE2 4.48Å; F945-F949 HydrophobicContact CD1-CE2 4.39Å; F945-F949 VanDerWaalsContact O-CD2 3.26Å; F945-F949 WeakPolarHBondContact O-CD2 3.02Å; F945-F949 PolarHBondContact O-N 2.7Å; F946-F949 PolarHBondContact O-N 2.77Å
950Y83.5Confident79.5Confident128 Ų12856.6 Ų56.650%0.50229%0.289SS..Hα-helixtrans-140.717.9-167.8-60.4-74.9000114.7F946 D952 L953F946-Y950 HydrophobicContact CD2-CD2 4.06Å; F946-Y950 HydrophobicContact CD2-CG 4.33Å; F946-Y950 HydrophobicContact CE2-CD2 4.5Å; F946-Y950 HydrophobicContact CE2-CG 4.35Å; F946-Y950 WeakPolarHBondContact O-CA 3.38Å; F946-Y950 WeakPolarHBondContact O-CB 3.28Å; F946-Y950 PolarHBondContact O-N 3.33Å; Y950-D952 VanDerWaalsContact C-N 3.27Å; Y950-D952 PolarHBondContact O-N 2.8Å; Y950-L953 HydrophobicContact CD1-CD1 3.79Å; Y950-L953 HydrophobicContact CG-CD1 4.45Å; Y950-L953 PolarHBondContact O-N 3.43Å
951V80.5Confident77Confident2 Ų261.8 Ų61.81%0.01233%0.325CS..G310 helixtrans-61.4-37-179.9780000112.5L947 L953 I954 M955 V957 H971 I974L947-V951 HydrophobicContact CD2-CG2 4.13Å; L947-V951 WeakPolarHBondContact O-CB 3.39Å; V951-L953 PolarHBondContact O-N 2.85Å; V951-I954 PolarHBondContact O-N 2.76Å; V951-M955 HydrophobicContact CG2-CB 4.49Å; V951-M955 HydrophobicContact CG2-CE 4.24Å; V951-M955 PolarHBondContact O-N 2.67Å; V951-V957 HydrophobicContact CG1-CB 4.37Å; V951-V957 HydrophobicContact CG1-CG2 4.06Å; V951-V957 HydrophobicContact CG2-CG2 4.07Å; V951-H971 WeakPolarHBondContact CG1-CD2 3.48Å; V951-I974 HydrophobicContact CG2-CD1 4.39Å
952D73.5Confident74.5Confident88 Ų8864.5 Ų64.547%0.47136%0.358SS..G310 helixtrans-64-12.2-175.1-40.8-35.6000112.8Y950Y950-D952 VanDerWaalsContact C-N 3.27Å; Y950-D952 PolarHBondContact O-N 2.8Å
953L72.7Confident72Confident138 Ų13865.5 Ų65.572%0.72335%0.352SS*.G310 helixtrans-84.3-14.3174.1-72.2171.9000114Y950 V951Y950-L953 HydrophobicContact CD1-CD1 3.79Å; Y950-L953 HydrophobicContact CG-CD1 4.45Å; Y950-L953 PolarHBondContact O-N 3.43Å; V951-L953 PolarHBondContact O-N 2.85Å
954I73.4Confident69.8Low69 Ų6968.7 Ų68.735%0.35437%0.372SS..THydrogen-bonded Turntrans-119.4-39.1-178-63.6174.7000111.8F946 V951 W1043F946-I954 HydrophobicContact CE1-CD1 3.46Å; F946-I954 VanDerWaalsContact CE1-CD1 3.46Å; F946-I954 HydrophobicContact CZ-CD1 3.48Å; F946-I954 VanDerWaalsContact CZ-CD1 3.48Å; F946-I954 HydrophobicContact CZ-CG1 4.41Å; V951-I954 PolarHBondContact O-N 2.76Å; I954-W1043 HydrophobicContact CG2-CD2 4.19Å; I954-W1043 HydrophobicContact CG2-CH2 4.1Å; I954-W1043 HydrophobicContact CG2-CZ2 3.64Å
955M70.8Confident68Low8 Ų874.1 Ų74.14%0.03940%0.4CS..SBendtrans-122.6140.9-176.8-68173.9-114.300109.4L947 V951 V957 I974 Q1040 W1043L947-M955 HydrophobicContact CD2-CE 4.49Å; V951-M955 HydrophobicContact CG2-CB 4.49Å; V951-M955 HydrophobicContact CG2-CE 4.24Å; V951-M955 PolarHBondContact O-N 2.67Å; M955-V957 HydrophobicContact CB-CG2 3.69Å; M955-V957 PolarHBondContact O-N 3.09Å; M955-I974 HydrophobicContact SD-CD1 4.02Å; M955-Q1040 HydrophobicContact SD-CB 4.31Å; M955-Q1040 HydrophobicContact SD-CG 4.02Å; M955-W1043 HydrophobicContact CE-CB 3.49Å; M955-W1043 VanDerWaalsContact CE-CB 3.49Å; M955-W1043 HydrophobicContact CE-CD2 4.27Å; M955-W1043 HydrophobicContact CE-CG 3.56Å; M955-W1043 HydrophobicContact SD-CB 4.11Å; M955-W1043 HydrophobicContact SD-CG 4.09Å
956E68Low66.2Low194 Ų19474.7 Ų74.791%0.90740%0.403SS*.  trans-70115162.3-67.5-175.4159.400107.6
957V68.6Low65Low19 Ų1975.3 Ų75.312%0.11541%0.407CS..  trans-134.7150.2-178.7-166.60000108.6V951 M955 N959 Q970 H971 I974V951-V957 HydrophobicContact CG1-CB 4.37Å; V951-V957 HydrophobicContact CG1-CG2 4.06Å; V951-V957 HydrophobicContact CG2-CG2 4.07Å; M955-V957 HydrophobicContact CB-CG2 3.69Å; M955-V957 PolarHBondContact O-N 3.09Å; V957-N959 PolarHBondContact O-N 3.43Å; V957-Q970 HydrophobicContact CG1-CB 3.83Å; V957-H971 HydrophobicContact CG1-CB 3.81Å; V957-I974 HydrophobicContact CG1-CD1 4.41Å; V957-I974 HydrophobicContact CG2-CD1 3.94Å
958D65.5Low64.2Low59 Ų5976.3 Ų76.332%0.31641%0.413SS..  trans-56.8110.4175-54.2-57.9000110.9V960 I963 K1034D958-V960 PolarHBondContact O-N 3.28Å; D958-I963 HydrophobicContact CB-CD1 4.21Å; D958-K1034 IonicContact OD1-NZ 2.64Å; D958-K1034 IonicContact OD2-NZ 2.69Å; D958-K1034 PolarHBondContact OD2-NZ 3.37Å
959N53.2Low64.1Low96 Ų9676.1 Ų76.151%0.51341%0.413SS..  trans-57129179.6-87-24.4000111.8V957 S961V957-N959 PolarHBondContact O-N 3.43Å; N959-S961 PolarHBondContact O-N 3.47Å; N959-S961 VanDerWaalsContact O-N 3.15Å
960V54.4Low64.2Low67 Ų6772.7 Ų72.741%0.40640%0.398SS..SBendtrans-64.1-21.2-179.8-174.80000112.6D958 G962 H971D958-V960 PolarHBondContact O-N 3.28Å; V960-G962 VanDerWaalsContact C-N 3.31Å; V960-G962 PolarHBondContact O-N 2.81Å; V960-H971 WeakPolarHBondContact CG2-ND1 3.44Å
961S43.4Very low64.3Low109 Ų10967.2 Ų67.276%0.76238%0.377SS*.THydrogen-bonded Turntrans-74.272-179.159.20000113.3N959N959-S961 PolarHBondContact O-N 3.47Å; N959-S961 VanDerWaalsContact O-N 3.15Å
962G42.2Very low64.5Low76 Ų7669.2 Ų69.278%0.78439%0.385SS*.THydrogen-bonded Turntrans154.3-10170.800000116V960V960-G962 VanDerWaalsContact C-N 3.31Å; V960-G962 PolarHBondContact O-N 2.81Å
963I42.2Very low65.3Low65 Ų6565 Ų6533%0.33336%0.362SS..  trans-88.2140.2-172.6-51.6177.7000110.5D958 E967 T969D958-I963 HydrophobicContact CB-CD1 4.21Å; I963-E967 HydrophobicContact CG2-CB 4Å; I963-T969 HydrophobicContact CD1-CG2 3.96Å
964T47.7Very low66.1Low78 Ų7858.5 Ų58.548%0.47933%0.328SS..  trans-63.9149.8175.251.60000111.3H966 E967T964-H966 PolarHBondContact O-N 2.75Å; T964-E967 PolarHBondContact O-N 3.09Å
965I52.2Low66.9Low114 Ų11455.2 Ų55.259%0.58531%0.311SS*.THydrogen-bonded Turntrans-60.3-4.9-162.6-63.1167.4000114.9
966H54.3Low67.9Low72 Ų7254.8 Ų54.833%0.33331%0.309SS..THydrogen-bonded Turntrans-127.7-1.8-168.8-72-66.9000116.7T964T964-H966 PolarHBondContact O-N 2.75Å
967E65.6Low69.1Low88 Ų8845.6 Ų45.641%0.41127%0.266SS..SBendtrans-82.5140.3176.1-68.3-159.314800113I963 T964 T969I963-E967 HydrophobicContact CG2-CB 4Å; T964-E967 PolarHBondContact O-N 3.09Å; E967-T969 PolarHBondContact O-N 3.15Å
968P72.2Confident70.3Confident22 Ų2244.7 Ų44.714%0.14326%0.261CS..  trans-72.2114.6178.528.5-33.1000111.3Y1029 K1034P968-Y1029 HydrophobicContact CG-CD1 4.23Å; P968-Y1029 HydrophobicContact CG-CE1 4.17Å; P968-K1034 WeakPolarHBondContact O-CB 3.48Å; P968-K1034 WeakPolarHBondContact O-CD 3.28Å
969T80.3Confident71.6Confident10 Ų1042 Ų426%0.06125%0.246CC..  trans-89.9152.2179.264.70000112I963 E967 H971 Y972 T973I963-T969 HydrophobicContact CD1-CG2 3.96Å; E967-T969 PolarHBondContact O-N 3.15Å; T969-H971 VanDerWaalsContact C-N 3.28Å; T969-H971 PolarHBondContact O-N 2.84Å; T969-Y972 WeakPolarHBondContact OG1-CD2 3.5Å; T969-Y972 PolarHBondContact OG1-N 3.41Å; T969-T973 PolarHBondContact O-N 2.97Å; T969-T973 PolarHBondContact O-OG1 2.83Å
970Q84.2Confident73.5Confident25 Ų2537.4 Ų37.412%0.11722%0.222CC..Hα-helixtrans-62.8-37.4169-82.2-175.3-18.400111.3V957 Y972 T973 I974 K1034 A1035V957-Q970 HydrophobicContact CG1-CB 3.83Å; Q970-Y972 PolarHBondContact O-N 3.29Å; Q970-T973 CarbonylContact O-C 3.58Å; Q970-T973 WeakPolarHBondContact O-CA 3.47Å; Q970-T973 WeakPolarHBondContact O-CB 3.37Å; Q970-T973 PolarHBondContact O-N 2.83Å; Q970-I974 WeakPolarHBondContact O-CG1 3.42Å; Q970-I974 PolarHBondContact O-N 2.88Å; Q970-K1034 HydrophobicContact CG-CB 4.15Å; Q970-K1034 HydrophobicContact CG-CD 3.9Å; Q970-K1034 HydrophobicContact CG-CG 3.88Å; Q970-A1035 PolarHBondContact NE2-O 2.84Å; Q970-A1035 VanDerWaalsContact NE2-O 3.15Å
971H84.7Confident75.5Confident12 Ų1234.2 Ų34.26%0.05620%0.203CC..Hα-helixtrans-54.1-56.1179.8-179.7-152000113.6L947 V951 V957 V960 T969 T973 I974 I975L947-H971 PolarHBondContact O-NE2 2.87Å; V951-H971 WeakPolarHBondContact CG1-CD2 3.48Å; V957-H971 HydrophobicContact CG1-CB 3.81Å; V960-H971 WeakPolarHBondContact CG2-ND1 3.44Å; T969-H971 VanDerWaalsContact C-N 3.28Å; T969-H971 PolarHBondContact O-N 2.84Å; H971-T973 PolarHBondContact O-N 3.06Å; H971-I974 PolarHBondContact O-N 3.36Å; H971-I975 PolarHBondContact O-N 3.24Å; H971-I975 VanDerWaalsContact O-N 3.15Å
972Y84.9Confident77.9Confident44 Ų4429 Ų2917%0.17317%0.166CC..Hα-helixtrans-67-27.5178-64.5-44.3000112L878 P882 T969 Q970 I975 F976L878-Y972 HydrophobicContact CD1-CE1 4.49Å; P882-Y972 HydrophobicContact CB-CD1 4.08Å; P882-Y972 HydrophobicContact CB-CE1 4.1Å; T969-Y972 WeakPolarHBondContact OG1-CD2 3.5Å; T969-Y972 PolarHBondContact OG1-N 3.41Å; Q970-Y972 PolarHBondContact O-N 3.29Å; Y972-I975 HydrophobicContact CD1-CD1 4.27Å; Y972-I975 PolarHBondContact O-N 2.87Å; Y972-F976 WeakPolarHBondContact O-CB 3.33Å; Y972-F976 PolarHBondContact O-N 3.4Å
973T89.9Confident80.4Confident0 Ų025.6 Ų25.60%013%0.13CC..Hα-helixtrans-69.1-37.9174.8-49.90000112.2T969 Q970 H971 N977 I1024 T1033 K1034 L1036T969-T973 PolarHBondContact O-N 2.97Å; T969-T973 PolarHBondContact O-OG1 2.83Å; Q970-T973 CarbonylContact O-C 3.58Å; Q970-T973 WeakPolarHBondContact O-CA 3.47Å; Q970-T973 WeakPolarHBondContact O-CB 3.37Å; Q970-T973 PolarHBondContact O-N 2.83Å; H971-T973 PolarHBondContact O-N 3.06Å; T973-N977 VanDerWaalsContact O-CB 3.29Å; T973-N977 WeakPolarHBondContact O-CB 3.45Å; T973-N977 PolarHBondContact O-N 2.88Å; T973-I1024 HydrophobicContact CG2-CD1 3.63Å; T973-I1024 HydrophobicContact CG2-CG2 4.27Å; T973-T1033 HydrophobicContact CG2-CG2 4.04Å; T973-T1033 WeakPolarHBondContact OG1-CA 3.46Å; T973-K1034 WeakPolarHBondContact CG2-O 3.5Å; T973-K1034 PolarHBondContact OG1-N 2.74Å; T973-L1036 HydrophobicContact CG2-CD1 4.22Å; T973-L1036 HydrophobicContact CG2-CD2 4.06Å; T973-L1036 HydrophobicContact CG2-CG 3.96Å
974I91.1Very high82.9Confident1 Ų122.6 Ų22.61%0.00512%0.115CC..Hα-helixtrans-62-47.6172.1-67.5168.1000110.1L947 V951 M955 V957 Q970 H971 F976 N977 A978 L1036 Q1040L947-I974 HydrophobicContact CD1-CG2 4.38Å; L947-I974 HydrophobicContact CD2-CG2 4.15Å; V951-I974 HydrophobicContact CG2-CD1 4.39Å; M955-I974 HydrophobicContact SD-CD1 4.02Å; V957-I974 HydrophobicContact CG1-CD1 4.41Å; V957-I974 HydrophobicContact CG2-CD1 3.94Å; Q970-I974 WeakPolarHBondContact O-CG1 3.42Å; Q970-I974 PolarHBondContact O-N 2.88Å; H971-I974 PolarHBondContact O-N 3.36Å; I974-F976 PolarHBondContact O-N 2.86Å; I974-N977 PolarHBondContact O-N 2.87Å; I974-A978 VanDerWaalsContact O-CB 3.23Å; I974-A978 WeakPolarHBondContact O-CB 3.37Å; I974-A978 PolarHBondContact O-N 2.95Å; I974-L1036 HydrophobicContact CD1-CD2 4.48Å; I974-L1036 HydrophobicContact CG1-CD1 4.49Å; I974-L1036 HydrophobicContact CG1-CD2 3.6Å; I974-Q1040 HydrophobicContact CD1-CB 4.43Å; I974-Q1040 HydrophobicContact CD1-CG 4.19Å; I974-Q1040 HydrophobicContact CG1-CB 4.49Å
975I89.8Confident85.1Confident0 Ų019.8 Ų19.80%010%0.096CC..Hα-helixtrans-60.3-47.4178.9-66.3170.7000111.1I944 L947 L948 H971 Y972 L979I944-I975 HydrophobicContact CD1-CG2 3.93Å; I944-I975 HydrophobicContact CG2-CG2 4.29Å; L947-I975 HydrophobicContact CB-CG1 3.98Å; L948-I975 HydrophobicContact CB-CD1 4.08Å; L948-I975 HydrophobicContact CD1-CD1 4.46Å; L948-I975 HydrophobicContact CG-CD1 4.36Å; H971-I975 PolarHBondContact O-N 3.24Å; H971-I975 VanDerWaalsContact O-N 3.15Å; Y972-I975 HydrophobicContact CD1-CD1 4.27Å; Y972-I975 PolarHBondContact O-N 2.87Å; I975-L979 WeakPolarHBondContact O-CB 3.28Å; I975-L979 PolarHBondContact O-N 3.46Å
976F91.1Very high87.1Confident0 Ų014.3 Ų14.30%07%0.068CC..Hα-helixtrans-61-47176.6168.2-118.8000112.1L883 Q887 W890 V891 Y972 I974 L979 V980 I1023 I1024 T1033L883-F976 HydrophobicContact CD2-CB 4.08Å; L883-F976 HydrophobicContact CD2-CD2 4.29Å; Q887-F976 HydrophobicContact CB-CD2 3.75Å; Q887-F976 HydrophobicContact CB-CE2 3.67Å; Q887-F976 HydrophobicContact CB-CG 4.42Å; Q887-F976 HydrophobicContact CB-CZ 4.27Å; Q887-F976 HydrophobicContact CG-CD1 4.37Å; Q887-F976 HydrophobicContact CG-CD2 4Å; Q887-F976 HydrophobicContact CG-CE1 4.36Å; Q887-F976 HydrophobicContact CG-CE2 3.98Å; Q887-F976 HydrophobicContact CG-CG 4.2Å; Q887-F976 HydrophobicContact CG-CZ 4.16Å; W890-F976 AromaticContact CD1-CZ 3.66Å; V891-F976 HydrophobicContact CG2-CE2 4.21Å; Y972-F976 WeakPolarHBondContact O-CB 3.33Å; Y972-F976 PolarHBondContact O-N 3.4Å; I974-F976 PolarHBondContact O-N 2.86Å; F976-L979 PolarHBondContact O-N 2.81Å; F976-V980 HydrophobicContact CD2-CG2 4.18Å; F976-V980 HydrophobicContact CE2-CG2 3.79Å; F976-V980 HydrophobicContact CZ-CG2 4.24Å; F976-V980 WeakPolarHBondContact O-CG2 3.46Å; F976-V980 PolarHBondContact O-N 2.79Å; F976-V980 VanDerWaalsContact O-N 3.08Å; F976-I1023 HydrophobicContact CE1-CG2 4.19Å; F976-I1024 HydrophobicContact CD1-CD1 3.66Å; F976-I1024 HydrophobicContact CE1-CD1 3.79Å; F976-T1033 HydrophobicContact CD1-CG2 3.87Å; F976-T1033 HydrophobicContact CE1-CG2 3.94Å
977N93.9Very high88.9Confident0 Ų011.1 Ų11.10%05%0.053CC..Hα-helixtrans-68-42.8-178.7-162.438.5000112.3T973 I974 L979 V980 L981 Q1020 I1024 L1036 W1041T973-N977 VanDerWaalsContact O-CB 3.29Å; T973-N977 WeakPolarHBondContact O-CB 3.45Å; T973-N977 PolarHBondContact O-N 2.88Å; I974-N977 PolarHBondContact O-N 2.87Å; N977-L979 VanDerWaalsContact C-N 3.31Å; N977-L979 PolarHBondContact O-N 2.95Å; N977-V980 PolarHBondContact O-N 2.69Å; N977-L981 WeakPolarHBondContact O-CG 3.44Å; N977-L981 PolarHBondContact O-N 3.34Å; N977-Q1020 WeakPolarHBondContact OD1-CG 3.39Å; N977-Q1020 PolarHBondContact OD1-NE2 3.13Å; N977-I1024 HydrophobicContact CB-CD1 3.81Å; N977-I1024 HydrophobicContact CB-CG1 4.27Å; N977-L1036 HydrophobicContact CB-CD1 4Å; N977-W1041 WeakPolarHBondContact ND2-CH2 3.47Å; N977-W1041 VanDerWaalsContact ND2-CZ3 3.3Å; N977-W1041 WeakPolarHBondContact ND2-CZ3 3.17Å
978A93.6Very high90.2Very high0 Ų07.9 Ų7.90%04%0.038CC..Hα-helixtrans-59.6-40.9174.700000111.5L947 I974 L981 M982L947-A978 HydrophobicContact CD1-CB 3.66Å; I974-A978 VanDerWaalsContact O-CB 3.23Å; I974-A978 WeakPolarHBondContact O-CB 3.37Å; I974-A978 PolarHBondContact O-N 2.95Å; A978-L981 PolarHBondContact O-N 3.39Å; A978-M982 HydrophobicContact CB-CE 4.44Å; A978-M982 WeakPolarHBondContact O-CB 3.17Å; A978-M982 WeakPolarHBondContact O-CE 3.48Å; A978-M982 VanDerWaalsContact O-CG 3.29Å; A978-M982 WeakPolarHBondContact O-CG 3.07Å; A978-M982 PolarHBondContact O-N 3.31Å
979L92.9Very high91.1Very high2 Ų27.2 Ų7.21%0.013%0.033CC..Hα-helixtrans-62.3-46.1175.1-174.760.3000112.5V866 L883 I944 I975 F976 N977 T983V866-L979 HydrophobicContact CG1-CD1 3.96Å; L883-L979 HydrophobicContact CD1-CD2 3.55Å; L883-L979 HydrophobicContact CD2-CD2 4.3Å; I944-L979 HydrophobicContact CD1-CB 3.94Å; I944-L979 HydrophobicContact CD1-CD1 4.2Å; I944-L979 HydrophobicContact CG1-CD1 4.47Å; I975-L979 WeakPolarHBondContact O-CB 3.28Å; I975-L979 PolarHBondContact O-N 3.46Å; F976-L979 PolarHBondContact O-N 2.81Å; N977-L979 VanDerWaalsContact C-N 3.31Å; N977-L979 PolarHBondContact O-N 2.95Å; L979-T983 HydrophobicContact CD1-CG2 4.39Å; L979-T983 WeakPolarHBondContact O-CB 3.47Å; L979-T983 VanDerWaalsContact O-CG2 3.32Å; L979-T983 WeakPolarHBondContact O-CG2 3.06Å; L979-T983 PolarHBondContact O-N 3.02Å; L979-T983 PolarHBondContact O-OG1 2.93Å
980V93.8Very high91.7Very high1 Ų16.7 Ų6.71%0.0063%0.03CC..Hα-helixtrans-66.3-38.6178.4178.60000111.6V891 I894 F976 N977 T983 L984 Q1020V891-V980 HydrophobicContact CG2-CG2 4.02Å; I894-V980 HydrophobicContact CD1-CG1 3.93Å; F976-V980 HydrophobicContact CD2-CG2 4.18Å; F976-V980 HydrophobicContact CE2-CG2 3.79Å; F976-V980 HydrophobicContact CZ-CG2 4.24Å; F976-V980 WeakPolarHBondContact O-CG2 3.46Å; F976-V980 PolarHBondContact O-N 2.79Å; F976-V980 VanDerWaalsContact O-N 3.08Å; N977-V980 PolarHBondContact O-N 2.69Å; V980-T983 WeakPolarHBondContact CA-OG1 3.16Å; V980-T983 PolarHBondContact O-OG1 3.01Å; V980-L984 HydrophobicContact CG1-CD1 4.15Å; V980-L984 WeakPolarHBondContact O-CB 3.38Å; V980-L984 WeakPolarHBondContact O-CG 3.4Å; V980-L984 PolarHBondContact O-N 2.73Å; V980-Q1020 HydrophobicContact CB-CG 4.21Å; V980-Q1020 HydrophobicContact CG1-CB 4.26Å; V980-Q1020 HydrophobicContact CG1-CG 3.75Å
981L94.8Very high92Very high0 Ų05.7 Ų5.70%03%0.025CC..Hα-helixtrans-69.6-46.2176.4-66.9-175000112.2N977 A978 T983 L984 F985 F1017 W1041 C1044N977-L981 WeakPolarHBondContact O-CG 3.44Å; N977-L981 PolarHBondContact O-N 3.34Å; A978-L981 PolarHBondContact O-N 3.39Å; L981-T983 VanDerWaalsContact C-N 3.27Å; L981-T983 PolarHBondContact O-N 2.8Å; L981-L984 HydrophobicContact CD2-CD1 4.36Å; L981-L984 PolarHBondContact O-N 2.85Å; L981-F985 WeakPolarHBondContact O-CD2 3.48Å; L981-F985 PolarHBondContact O-N 3.2Å; L981-F1017 HydrophobicContact CD2-CD2 3.75Å; L981-F1017 HydrophobicContact CD2-CE2 3.61Å; L981-W1041 HydrophobicContact CD1-CE3 4.32Å; L981-W1041 HydrophobicContact CD1-CZ3 4.02Å; L981-C1044 HydrophobicContact CD1-CB 3.82Å
982M95.4Very high92.2Very high0 Ų06.4 Ų6.40%03%0.028CC..Hα-helixtrans-58.4-39.2174.9-73.7-173.7-66.200111.9Y939 Q940 V943 I944 A978 F985 N986 F1047Y939-M982 HydrophobicContact CD1-SD 4.33Å; Y939-M982 HydrophobicContact CE1-CG 4.41Å; Y939-M982 HydrophobicContact CE1-SD 3.84Å; Q940-M982 HydrophobicContact CG-CB 4.25Å; Q940-M982 HydrophobicContact CG-SD 4.18Å; Q940-M982 PolarHBondContact NE2-O 2.77Å; V943-M982 HydrophobicContact CB-CE 4.12Å; V943-M982 HydrophobicContact CB-SD 3.82Å; V943-M982 HydrophobicContact CG1-CE 3.87Å; V943-M982 HydrophobicContact CG1-SD 3.76Å; V943-M982 HydrophobicContact CG2-SD 4.1Å; I944-M982 HydrophobicContact CD1-CE 4.01Å; I944-M982 HydrophobicContact CG1-CE 4.04Å; A978-M982 HydrophobicContact CB-CE 4.44Å; A978-M982 WeakPolarHBondContact O-CB 3.17Å; A978-M982 WeakPolarHBondContact O-CE 3.48Å; A978-M982 VanDerWaalsContact O-CG 3.29Å; A978-M982 WeakPolarHBondContact O-CG 3.07Å; A978-M982 PolarHBondContact O-N 3.31Å; M982-F985 PolarHBondContact O-N 2.91Å; M982-N986 VanDerWaalsContact O-CB 3.28Å; M982-N986 WeakPolarHBondContact O-CB 3.49Å; M982-N986 PolarHBondContact O-N 3.42Å; M982-F1047 HydrophobicContact CG-CB 4.46Å; M982-F1047 HydrophobicContact SD-CB 4.43Å
983T93.8Very high92.2Very high4 Ų44.8 Ų4.83%0.0252%0.022CC..Hα-helixtrans-67.9-45.2174.552.40000112.2F859 V863 L979 V980 L981 F985 N986 E987F859-T983 WeakPolarHBondContact CE2-O 3.19Å; V863-T983 HydrophobicContact CB-CG2 4.37Å; V863-T983 HydrophobicContact CG1-CG2 3.9Å; V863-T983 HydrophobicContact CG2-CG2 3.64Å; L979-T983 HydrophobicContact CD1-CG2 4.39Å; L979-T983 WeakPolarHBondContact O-CB 3.47Å; L979-T983 VanDerWaalsContact O-CG2 3.32Å; L979-T983 WeakPolarHBondContact O-CG2 3.06Å; L979-T983 PolarHBondContact O-N 3.02Å; L979-T983 PolarHBondContact O-OG1 2.93Å; V980-T983 WeakPolarHBondContact CA-OG1 3.16Å; V980-T983 PolarHBondContact O-OG1 3.01Å; L981-T983 VanDerWaalsContact C-N 3.27Å; L981-T983 PolarHBondContact O-N 2.8Å; T983-F985 VanDerWaalsContact C-N 3.28Å; T983-F985 PolarHBondContact O-N 2.86Å; T983-N986 PolarHBondContact O-N 3.43Å; T983-N986 VanDerWaalsContact O-N 3.16Å; T983-E987 PolarHBondContact O-N 3.08Å
984L93.8Very high91.8Very high1 Ų19.1 Ų9.11%0.0054%0.042CC..Hα-helixtrans-57.3-36.5173.8-82.5171.1000113.6V980 L981 E987 W1013 T1016 F1017V980-L984 HydrophobicContact CG1-CD1 4.15Å; V980-L984 WeakPolarHBondContact O-CB 3.38Å; V980-L984 WeakPolarHBondContact O-CG 3.4Å; V980-L984 PolarHBondContact O-N 2.73Å; L981-L984 HydrophobicContact CD2-CD1 4.36Å; L981-L984 PolarHBondContact O-N 2.85Å; L984-E987 WeakPolarHBondContact O-CB 3.44Å; L984-W1013 HydrophobicContact CD2-CG 4.41Å; L984-W1013 PolarHBondContact O-NE1 2.87Å; L984-T1016 HydrophobicContact CD1-CG2 4.31Å; L984-T1016 HydrophobicContact CD2-CG2 3.84Å; L984-T1016 HydrophobicContact CG-CG2 4.45Å; L984-F1017 HydrophobicContact CD1-CB 4.33Å; L984-F1017 HydrophobicContact CD1-CD2 4.45Å
985F94.6Very high91.1Very high19 Ų1910.4 Ų10.48%0.0836%0.056CC..Hα-helixtrans-78.5-34.8175.6-76.8-68.3000112.8L981 M982 T983 E987 F988 W1013 L1045 G1048 V1049 E1051 L1052L981-F985 WeakPolarHBondContact O-CD2 3.48Å; L981-F985 PolarHBondContact O-N 3.2Å; M982-F985 PolarHBondContact O-N 2.91Å; T983-F985 VanDerWaalsContact C-N 3.28Å; T983-F985 PolarHBondContact O-N 2.86Å; F985-E987 PolarHBondContact O-N 3.41Å; F985-F988 HydrophobicContact CD1-CD2 4.44Å; F985-F988 PolarHBondContact O-N 3.38Å; F985-W1013 HydrophobicContact CD1-CZ2 4.45Å; F985-W1013 HydrophobicContact CE1-CH2 4.5Å; F985-W1013 HydrophobicContact CE1-CZ2 4.02Å; F985-W1013 HydrophobicContact CZ-CH2 4.42Å; F985-W1013 HydrophobicContact CZ-CZ2 4.12Å; F985-L1045 HydrophobicContact CE2-CD1 3.85Å; F985-L1045 HydrophobicContact CZ-CD1 3.91Å; F985-G1048 WeakPolarHBondContact CB-O 3.47Å; F985-G1048 VanDerWaalsContact CD2-CA 3.49Å; F985-G1048 WeakPolarHBondContact CD2-O 3.36Å; F985-G1048 WeakPolarHBondContact CG-O 3.13Å; F985-V1049 HydrophobicContact CE1-CG2 4.19Å; F985-V1049 HydrophobicContact CE2-CG2 4.21Å; F985-V1049 HydrophobicContact CZ-CG2 3.87Å; F985-E1051 HydrophobicContact CB-CB 4.29Å; F985-L1052 HydrophobicContact CB-CD2 4.25Å; F985-L1052 HydrophobicContact CB-CG 4.18Å; F985-L1052 HydrophobicContact CD1-CD1 3.72Å; F985-L1052 HydrophobicContact CD1-CD2 4.29Å; F985-L1052 HydrophobicContact CD1-CG 3.96Å; F985-L1052 HydrophobicContact CE1-CD1 4.22Å; F985-L1052 HydrophobicContact CG-CG 4.42Å; F985-L1052 VanDerWaalsContact O-CD2 3.3Å; F985-L1052 WeakPolarHBondContact O-CD2 3.42Å
986N93.3Very high90.7Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-61.2-27.7171.1-171.325.2000112.4T862 M982 T983 F988 N989 A990 E1051T862-N986 WeakPolarHBondContact CG2-ND2 3.47Å; M982-N986 VanDerWaalsContact O-CB 3.28Å; M982-N986 WeakPolarHBondContact O-CB 3.49Å; M982-N986 PolarHBondContact O-N 3.42Å; T983-N986 PolarHBondContact O-N 3.43Å; T983-N986 VanDerWaalsContact O-N 3.16Å; N986-F988 PolarHBondContact O-N 3.23Å; N986-N989 WeakPolarHBondContact O-CB 3.41Å; N986-N989 PolarHBondContact O-N 3.47Å; N986-A990 WeakPolarHBondContact O-CB 3.48Å; N986-A990 PolarHBondContact O-N 2.66Å; N986-E1051 HydrophobicContact CB-CG 3.88Å
987E92.8Very high90.3Very high4 Ų421.3 Ų21.32%0.01910%0.1CC..Hα-helixtrans-56.8-36.6175.2-153.2-169.8171.700112.3F859 A902 L903 T983 L984 F985 A990 R991 F1009F859-E987 HydrophobicContact CD2-CB 4.15Å; F859-E987 HydrophobicContact CD2-CG 4.16Å; F859-E987 HydrophobicContact CE2-CB 3.84Å; F859-E987 HydrophobicContact CE2-CG 4.02Å; F859-E987 HydrophobicContact CZ-CB 4.46Å; F859-E987 HydrophobicContact CZ-CG 4.31Å; A902-E987 WeakPolarHBondContact CB-OE1 3.3Å; L903-E987 HydrophobicContact CD1-CG 4.16Å; L903-E987 HydrophobicContact CD2-CG 4.41Å; L903-E987 HydrophobicContact CG-CG 4.37Å; T983-E987 PolarHBondContact O-N 3.08Å; L984-E987 WeakPolarHBondContact O-CB 3.44Å; F985-E987 PolarHBondContact O-N 3.41Å; E987-A990 PolarHBondContact O-N 3.13Å; E987-R991 PolarHBondContact O-N 2.78Å; E987-F1009 HydrophobicContact CB-CZ 4.37Å; E987-F1009 HydrophobicContact CG-CE2 3.84Å; E987-F1009 HydrophobicContact CG-CZ 4.07Å; E987-F1009 WeakPolarHBondContact OE1-CE2 3.41Å
988F92.7Very high89.9Confident21 Ų2125.9 Ų25.99%0.09213%0.125CC..Hα-helixtrans-67-43.1172.8-72-80.5000112.7F985 N986 A990 R991 F1000 L1003 F1009 W1013 L1052F985-F988 HydrophobicContact CD1-CD2 4.44Å; F985-F988 PolarHBondContact O-N 3.38Å; N986-F988 PolarHBondContact O-N 3.23Å; F988-A990 VanDerWaalsContact C-N 3.3Å; F988-A990 PolarHBondContact O-N 2.94Å; F988-R991 PolarHBondContact O-N 3.49Å; F988-F1000 HydrophobicContact CD1-CD1 4.4Å; F988-F1000 HydrophobicContact CD1-CE1 4.23Å; F988-F1000 HydrophobicContact CE1-CE1 4.42Å; F988-L1003 HydrophobicContact CD1-CD1 4.5Å; F988-L1003 HydrophobicContact CE1-CD1 3.98Å; F988-L1003 HydrophobicContact CE1-CD2 3.89Å; F988-F1009 AromaticContact CD1-CE1 3.91Å; F988-F1009 HydrophobicContact CD1-CE1 3.91Å; F988-F1009 HydrophobicContact CD1-CZ 4.24Å; F988-F1009 AromaticContact CE1-CE1 3.63Å; F988-F1009 HydrophobicContact CE1-CE1 3.63Å; F988-F1009 HydrophobicContact CE1-CZ 4.35Å; F988-F1009 HydrophobicContact CZ-CE1 4.08Å; F988-W1013 AromaticContact CE2-CD1 3.85Å; F988-W1013 HydrophobicContact CE2-CD2 4.1Å; F988-W1013 AromaticContact CE2-CE2 3.57Å; F988-W1013 HydrophobicContact CE2-CG 4.28Å; F988-W1013 HydrophobicContact CE2-CZ2 4.02Å; F988-W1013 AromaticContact CE2-NE1 3.35Å; F988-W1013 HydrophobicContact CZ-CD2 4.24Å; F988-W1013 HydrophobicContact CZ-CG 4.33Å; F988-L1052 HydrophobicContact CB-CD2 3.9Å; F988-L1052 HydrophobicContact CD2-CD2 4.47Å
989N92.3Very high89.5Confident7 Ų726.2 Ų26.24%0.03713%0.127CC..Hα-helixtrans-62.5-39.9176.7-71.7-32.7000111.1H936 N986 R991 K992 E1051H936-N989 PolarHBondContact CE1-ND2 3.45Å; H936-N989 VanDerWaalsContact CE1-ND2 3.26Å; N986-N989 WeakPolarHBondContact O-CB 3.41Å; N986-N989 PolarHBondContact O-N 3.47Å; N989-R991 PolarHBondContact O-N 3.35Å; N989-K992 PolarHBondContact O-N 3.38Å; N989-K992 VanDerWaalsContact O-N 3.15Å; N989-E1051 PolarHBondContact ND2-O 3.14Å
990A91.7Very high89.2Confident0 Ų031.5 Ų31.50%015%0.15CC..Hα-helixtrans-65.2-20.8-179.200000114.7K855 F859 N986 E987 F988 K992K855-A990 WeakPolarHBondContact CB-O 3.21Å; K855-A990 WeakPolarHBondContact CG-O 3.39Å; F859-A990 HydrophobicContact CB-CB 3.6Å; F859-A990 HydrophobicContact CD2-CB 4.33Å; F859-A990 HydrophobicContact CG-CB 4.41Å; N986-A990 WeakPolarHBondContact O-CB 3.48Å; N986-A990 PolarHBondContact O-N 2.66Å; E987-A990 PolarHBondContact O-N 3.13Å; F988-A990 VanDerWaalsContact C-N 3.3Å; F988-A990 PolarHBondContact O-N 2.94Å; A990-K992 PolarHBondContact O-N 2.8Å
991R90.7Very high88.7Confident3 Ų334.1 Ų34.11%0.01117%0.168CC..THydrogen-bonded Turntrans-61.5-21.3172.7-71.4178.258.2-126.8-5.6113.4K855 L903 E906 E987 F988 N989 V999 S1001 F1009K855-R991 WeakPolarHBondContact CD-O 3.46Å; K855-R991 WeakPolarHBondContact CE-O 3.42Å; L903-R991 HydrophobicContact CD2-CG 3.53Å; E906-R991 IonicContact OE1-CZ 2.66Å; E906-R991 VanDerWaalsContact OE1-CZ 3.22Å; E906-R991 IonicContact OE1-NE 3.38Å; E906-R991 PolarHBondContact OE1-NE 3.44Å; E906-R991 IonicContact OE1-NH2 3.22Å; E906-R991 PolarHBondContact OE1-NH2 2.89Å; E987-R991 PolarHBondContact O-N 2.78Å; F988-R991 PolarHBondContact O-N 3.49Å; N989-R991 PolarHBondContact O-N 3.35Å; R991-V999 PolarHBondContact NH1-O 2.87Å; R991-S1001 PolarHBondContact NH2-O 2.89Å; R991-F1009 HydrophobicContact CG-CE2 4.14Å; R991-F1009 HydrophobicContact CG-CZ 4.46Å
992K88.5Confident87.9Confident27 Ų2735.2 Ų35.212%0.11718%0.179CC..  trans-116.999.8-174.6-62.1-51.9-164.3170.80112.5N989 A990 Q996 N998 V999N989-K992 PolarHBondContact O-N 3.38Å; N989-K992 VanDerWaalsContact O-N 3.15Å; A990-K992 PolarHBondContact O-N 2.8Å; K992-Q996 HydrophobicContact CB-CB 4.28Å; K992-Q996 HydrophobicContact CD-CB 4.16Å; K992-Q996 HydrophobicContact CG-CB 4.32Å; K992-N998 VanDerWaalsContact CE-O 3.23Å; K992-N998 WeakPolarHBondContact CE-O 3.48Å; K992-V999 HydrophobicContact CG-CG1 4.2Å
993I86.5Confident87.4Confident10 Ų1036.8 Ų36.85%0.05119%0.187CC..  trans-85.3-39.7-176.5-48.2153.3000112.4D851 T854 K855 Q928 M929 G995D851-I993 HydrophobicContact CB-CD1 4.36Å; D851-I993 WeakPolarHBondContact O-CD1 3.47Å; T854-I993 VanDerWaalsContact OG1-CD1 3.23Å; T854-I993 WeakPolarHBondContact OG1-CD1 3.35Å; K855-I993 HydrophobicContact CG-CD1 3.62Å; K855-I993 HydrophobicContact CG-CG1 3.75Å; Q928-I993 WeakPolarHBondContact CG-O 3.42Å; M929-I993 HydrophobicContact CB-CG2 4.41Å; I993-G995 VanDerWaalsContact C-N 3.25Å; I993-G995 PolarHBondContact O-N 3.37Å; I993-G995 VanDerWaalsContact O-N 3.13Å
994H81.6Confident87Confident91 Ų9143.4 Ų43.442%0.42122%0.218SC..SBendtrans-8727.5-166.9-54.177.1000114.5D851 R915 Y918 Q996D851-H994 IonicContact OD1-CE1 2.63Å; D851-H994 IonicContact OD2-CE1 3.58Å; D851-H994 PolarHBondContact OD2-CE1 2.84Å; R915-H994 PolarHBondContact NH1-CE1 2.85Å; R915-H994 VanDerWaalsContact NH1-CE1 3.25Å; R915-H994 PolarHBondContact NH1-NE2 3.42Å; Y918-H994 PolarHBondContact OH-NE2 3.09Å; H994-Q996 VanDerWaalsContact C-N 3.3Å; H994-Q996 PolarHBondContact O-N 3.05Å
995G75.4Confident86.5Confident29 Ų2949.9 Ų49.930%0.29924%0.242SC..  trans72.118.9-17900000114.8I993 R997I993-G995 VanDerWaalsContact C-N 3.25Å; I993-G995 PolarHBondContact O-N 3.37Å; I993-G995 VanDerWaalsContact O-N 3.13Å; G995-R997 PolarHBondContact O-N 2.99Å
996Q81.3Confident86.1Confident65 Ų6549.3 Ų49.330%0.30424%0.24SC..  trans-68.3117175.3-61.7-171.2-14.700109.9E911 K992 H994 N998E911-Q996 PolarHBondContact OE2-NE2 2.94Å; K992-Q996 HydrophobicContact CB-CB 4.28Å; K992-Q996 HydrophobicContact CD-CB 4.16Å; K992-Q996 HydrophobicContact CG-CB 4.32Å; H994-Q996 VanDerWaalsContact C-N 3.3Å; H994-Q996 PolarHBondContact O-N 3.05Å; Q996-N998 PolarHBondContact O-N 2.84Å
997R82Confident85.8Confident163 Ų16353.1 Ų53.162%0.61526%0.264SS*.SBendtrans-64.7-38.9-177.4-72.5-174.7173.2-179.6-2.5114.1G995 V999 Q1056G995-R997 PolarHBondContact O-N 2.99Å; R997-V999 PolarHBondContact O-N 3.38Å; R997-V999 VanDerWaalsContact O-N 3.09Å; R997-Q1056 PolarHBondContact O-NE2 3.06Å; R997-Q1056 PolarHBondContact O-OE1 2.64Å
998N85.9Confident85.6Confident97 Ų9755.7 Ų55.752%0.51928%0.278SS..  trans-81.393.3-177-171.9-14.9000111.9K992 Q996 F1000 S1001K992-N998 VanDerWaalsContact CE-O 3.23Å; K992-N998 WeakPolarHBondContact CE-O 3.48Å; Q996-N998 PolarHBondContact O-N 2.84Å; N998-F1000 PolarHBondContact OD1-N 2.87Å; N998-F1000 VanDerWaalsContact OD1-N 3.13Å; N998-S1001 WeakPolarHBondContact O-CB 3.4Å; N998-S1001 PolarHBondContact O-N 2.94Å; N998-S1001 PolarHBondContact OD1-N 3.23Å
999V85.5Confident85.5Confident7 Ų754.8 Ų54.84%0.04227%0.274CS..THydrogen-bonded Turntrans-67.6-28.6177.4-69.70000113.9R991 K992 R997 S1001R991-V999 PolarHBondContact NH1-O 2.87Å; K992-V999 HydrophobicContact CG-CG1 4.2Å; R997-V999 PolarHBondContact O-N 3.38Å; R997-V999 VanDerWaalsContact O-N 3.09Å; V999-S1001 VanDerWaalsContact C-N 3.34Å
1000F86.6Confident85.5Confident113 Ų11358.1 Ų58.150%0.49629%0.291SS..THydrogen-bonded Turntrans-80.3-14.5179-57.7-65000113.5F988 N998 G1002 L1003 L1052F988-F1000 HydrophobicContact CD1-CD1 4.4Å; F988-F1000 HydrophobicContact CD1-CE1 4.23Å; F988-F1000 HydrophobicContact CE1-CE1 4.42Å; N998-F1000 PolarHBondContact OD1-N 2.87Å; N998-F1000 VanDerWaalsContact OD1-N 3.13Å; F1000-G1002 PolarHBondContact O-N 3.42Å; F1000-L1003 HydrophobicContact CD1-CD2 4.38Å; F1000-L1003 VanDerWaalsContact O-CB 3.25Å; F1000-L1003 WeakPolarHBondContact O-CB 3.46Å; F1000-L1003 PolarHBondContact O-N 3.04Å; F1000-L1052 HydrophobicContact CZ-CD1 4.26Å
1001S83.2Confident85.6Confident55 Ų5562.9 Ų62.939%0.38532%0.316SS..THydrogen-bonded Turntrans-54.9123.7178.3-178.60000111.9R991 N998 V999 L1003R991-S1001 PolarHBondContact NH2-O 2.89Å; N998-S1001 WeakPolarHBondContact O-CB 3.4Å; N998-S1001 PolarHBondContact O-N 2.94Å; N998-S1001 PolarHBondContact OD1-N 3.23Å; V999-S1001 VanDerWaalsContact C-N 3.34Å; S1001-L1003 VanDerWaalsContact C-N 3.33Å; S1001-L1003 PolarHBondContact O-N 2.84Å
1002G78.5Confident85.6Confident23 Ų2363.5 Ų63.524%0.23732%0.319CS..THydrogen-bonded Turntrans77.63.118000000116.1F1000 H1004 R1005F1000-G1002 PolarHBondContact O-N 3.42Å; G1002-H1004 VanDerWaalsContact C-N 3.29Å; G1002-H1004 PolarHBondContact O-N 3.14Å; G1002-R1005 WeakPolarHBondContact O-CB 3.38Å; G1002-R1005 PolarHBondContact O-N 2.72Å
1003L84.8Confident85.8Confident34 Ų3464.1 Ų64.118%0.17832%0.321CS..G310 helixtrans-53.1-43.8-178.2-179.463.5000112.7F988 F1000 S1001 R1005 N1006 F1009 I1010F988-L1003 HydrophobicContact CD1-CD1 4.5Å; F988-L1003 HydrophobicContact CE1-CD1 3.98Å; F988-L1003 HydrophobicContact CE1-CD2 3.89Å; F1000-L1003 HydrophobicContact CD1-CD2 4.38Å; F1000-L1003 VanDerWaalsContact O-CB 3.25Å; F1000-L1003 WeakPolarHBondContact O-CB 3.46Å; F1000-L1003 PolarHBondContact O-N 3.04Å; S1001-L1003 VanDerWaalsContact C-N 3.33Å; S1001-L1003 PolarHBondContact O-N 2.84Å; L1003-R1005 PolarHBondContact O-N 3.37Å; L1003-N1006 PolarHBondContact O-N 3.08Å; L1003-N1006 VanDerWaalsContact O-N 3.08Å; L1003-F1009 HydrophobicContact CD1-CD1 3.53Å; L1003-F1009 HydrophobicContact CD1-CE1 3.85Å; L1003-F1009 HydrophobicContact CD1-CG 4.5Å; L1003-I1010 HydrophobicContact CD1-CG1 3.97Å; L1003-I1010 HydrophobicContact CG-CD1 4.12Å; L1003-I1010 HydrophobicContact CG-CG1 4.06Å
1004H85.4Confident86.1Confident143 Ų14369.6 Ų69.666%0.66234%0.344SS*.G310 helixtrans-59.5-17.1177.964.8-100.3000114.7G1002G1002-H1004 VanDerWaalsContact C-N 3.29Å; G1002-H1004 PolarHBondContact O-N 3.14Å
1005R83.5Confident86.6Confident137 Ų13768.5 Ų68.552%0.51734%0.344SS..G310 helixtrans-81.4-16.7178.4-58.7-171.7178.3-177.2-2.2113.2Q907 G1002 L1003 P1007Q907-R1005 PolarHBondContact NE2-O 3.47Å; G1002-R1005 WeakPolarHBondContact O-CB 3.38Å; G1002-R1005 PolarHBondContact O-N 2.72Å; L1003-R1005 PolarHBondContact O-N 3.37Å; R1005-P1007 WeakPolarHBondContact O-CD 3.03Å
1006N85.4Confident87.4Confident7 Ų767.2 Ų67.24%0.03733%0.33CS..  trans-116.581.9175.6-168.6-3.8000110.8A902 L1003 L1008 F1009A902-N1006 PolarHBondContact O-ND2 3.39Å; L1003-N1006 PolarHBondContact O-N 3.08Å; L1003-N1006 VanDerWaalsContact O-N 3.08Å; N1006-L1008 PolarHBondContact O-N 3.11Å; N1006-L1008 WeakPolarHBondContact OD1-CB 3.42Å; N1006-L1008 PolarHBondContact OD1-N 3.36Å; N1006-F1009 HydrophobicContact CB-CB 4.13Å; N1006-F1009 PolarHBondContact O-N 3.16Å; N1006-F1009 PolarHBondContact OD1-N 2.76Å
1007P88.2Confident88.1Confident79 Ų7966.9 Ų66.951%0.51333%0.328SS..Hα-helixtrans-64.1-25.6177.626.9-35000112.6R1005 I1010 I1011R1005-P1007 WeakPolarHBondContact O-CD 3.03Å; P1007-I1010 PolarHBondContact O-N 3.14Å; P1007-I1011 WeakPolarHBondContact O-CD1 3.42Å; P1007-I1011 VanDerWaalsContact O-CG1 3.26Å; P1007-I1011 WeakPolarHBondContact O-CG1 3.45Å; P1007-I1011 PolarHBondContact O-N 3.43Å
1008L87.7Confident88.6Confident59 Ų5963.4 Ų63.431%0.30932%0.321SS..Hα-helixtrans-66.5-39.9179-17562.5000111.4L901 T905 N1006 I1011 I1012L901-L1008 HydrophobicContact CD1-CD2 4.11Å; L901-L1008 HydrophobicContact CG-CD2 4.06Å; T905-L1008 HydrophobicContact CG2-CD2 4.02Å; N1006-L1008 PolarHBondContact O-N 3.11Å; N1006-L1008 WeakPolarHBondContact OD1-CB 3.42Å; N1006-L1008 PolarHBondContact OD1-N 3.36Å; L1008-I1011 PolarHBondContact O-N 2.7Å; L1008-I1012 HydrophobicContact CD1-CD1 4Å; L1008-I1012 HydrophobicContact CD1-CG1 4.31Å; L1008-I1012 HydrophobicContact CG-CD1 3.82Å; L1008-I1012 HydrophobicContact CG-CG1 4.49Å; L1008-I1012 WeakPolarHBondContact O-CB 3.49Å; L1008-I1012 VanDerWaalsContact O-CG1 3.3Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.24Å; L1008-I1012 PolarHBondContact O-N 3.42Å
1009F91.5Very high88.9Confident1 Ų162 Ų620%0.00431%0.313CS..Hα-helixtrans-57.8-49.2172.8-178.5-81.9000111.6A902 L903 E987 F988 R991 L1003 N1006 I1011 I1012 W1013A902-F1009 HydrophobicContact CB-CD2 3.79Å; A902-F1009 HydrophobicContact CB-CE2 4.41Å; A902-F1009 HydrophobicContact CB-CG 4.48Å; L903-F1009 HydrophobicContact CD2-CD2 4.18Å; L903-F1009 HydrophobicContact CD2-CE2 3.74Å; L903-F1009 HydrophobicContact CG-CE2 4.43Å; E987-F1009 HydrophobicContact CB-CZ 4.37Å; E987-F1009 HydrophobicContact CG-CE2 3.84Å; E987-F1009 HydrophobicContact CG-CZ 4.07Å; E987-F1009 WeakPolarHBondContact OE1-CE2 3.41Å; F988-F1009 AromaticContact CD1-CE1 3.91Å; F988-F1009 HydrophobicContact CD1-CE1 3.91Å; F988-F1009 HydrophobicContact CD1-CZ 4.24Å; F988-F1009 AromaticContact CE1-CE1 3.63Å; F988-F1009 HydrophobicContact CE1-CE1 3.63Å; F988-F1009 HydrophobicContact CE1-CZ 4.35Å; F988-F1009 HydrophobicContact CZ-CE1 4.08Å; R991-F1009 HydrophobicContact CG-CE2 4.14Å; R991-F1009 HydrophobicContact CG-CZ 4.46Å; L1003-F1009 HydrophobicContact CD1-CD1 3.53Å; L1003-F1009 HydrophobicContact CD1-CE1 3.85Å; L1003-F1009 HydrophobicContact CD1-CG 4.5Å; N1006-F1009 HydrophobicContact CB-CB 4.13Å; N1006-F1009 PolarHBondContact O-N 3.16Å; N1006-F1009 PolarHBondContact OD1-N 2.76Å; F1009-I1011 VanDerWaalsContact C-N 3.34Å; F1009-I1011 PolarHBondContact O-N 3.01Å; F1009-I1012 PolarHBondContact O-N 3.05Å; F1009-W1013 WeakPolarHBondContact O-CB 3.5Å; F1009-W1013 PolarHBondContact O-N 3.29Å
1010I92.3Very high89.4Confident78 Ų7861.7 Ų61.740%0.431%0.311SS..Hα-helixtrans-61.7-43.4-179.2-57.7172.7000110.9L1003 P1007 F1014L1003-I1010 HydrophobicContact CD1-CG1 3.97Å; L1003-I1010 HydrophobicContact CG-CD1 4.12Å; L1003-I1010 HydrophobicContact CG-CG1 4.06Å; P1007-I1010 PolarHBondContact O-N 3.14Å; I1010-F1014 WeakPolarHBondContact O-CB 3.38Å; I1010-F1014 PolarHBondContact O-N 2.71Å
1011I92.2Very high89.7Confident100 Ų10057.8 Ų57.851%0.51330%0.3SS..Hα-helixtrans-63.7-48.5178.3-68.6163.6000110.8P1007 L1008 F1009 W1013 F1014 V1015P1007-I1011 WeakPolarHBondContact O-CD1 3.42Å; P1007-I1011 VanDerWaalsContact O-CG1 3.26Å; P1007-I1011 WeakPolarHBondContact O-CG1 3.45Å; P1007-I1011 PolarHBondContact O-N 3.43Å; L1008-I1011 PolarHBondContact O-N 2.7Å; F1009-I1011 VanDerWaalsContact C-N 3.34Å; F1009-I1011 PolarHBondContact O-N 3.01Å; I1011-W1013 PolarHBondContact O-N 3.47Å; I1011-F1014 PolarHBondContact O-N 2.77Å; I1011-V1015 HydrophobicContact CG2-CG2 4.27Å; I1011-V1015 WeakPolarHBondContact O-CB 3.26Å; I1011-V1015 VanDerWaalsContact O-CG2 3.23Å; I1011-V1015 WeakPolarHBondContact O-CG2 3.2Å; I1011-V1015 PolarHBondContact O-N 2.69Å
1012I90.7Very high90.1Very high15 Ų1559 Ų598%0.07730%0.302CS..Hα-helixtrans-62.4-44.9-179.4-70.8169.1000110.9L898 L901 A902 L1008 F1009 V1015 T1016L898-I1012 HydrophobicContact CB-CG2 3.9Å; L901-I1012 HydrophobicContact CB-CD1 4.02Å; L901-I1012 HydrophobicContact CD2-CD1 3.85Å; L901-I1012 HydrophobicContact CG-CD1 3.77Å; A902-I1012 HydrophobicContact CB-CB 4.27Å; A902-I1012 HydrophobicContact CB-CD1 3.92Å; A902-I1012 HydrophobicContact CB-CG2 4.14Å; L1008-I1012 HydrophobicContact CD1-CD1 4Å; L1008-I1012 HydrophobicContact CD1-CG1 4.31Å; L1008-I1012 HydrophobicContact CG-CD1 3.82Å; L1008-I1012 HydrophobicContact CG-CG1 4.49Å; L1008-I1012 WeakPolarHBondContact O-CB 3.49Å; L1008-I1012 VanDerWaalsContact O-CG1 3.3Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.24Å; L1008-I1012 PolarHBondContact O-N 3.42Å; F1009-I1012 PolarHBondContact O-N 3.05Å; I1012-V1015 PolarHBondContact O-N 3.4Å; I1012-T1016 WeakPolarHBondContact O-CB 3.31Å; I1012-T1016 PolarHBondContact O-N 2.85Å; I1012-T1016 PolarHBondContact O-OG1 3.28Å
1013W93.4Very high90.7Very high40 Ų4058.7 Ų58.715%0.15229%0.294CS..Hα-helixtrans-59.8-48.8178.3-170.290.8000111.8L984 F985 F988 F1009 I1011 T1016 F1017L984-W1013 HydrophobicContact CD2-CG 4.41Å; L984-W1013 PolarHBondContact O-NE1 2.87Å; F985-W1013 HydrophobicContact CD1-CZ2 4.45Å; F985-W1013 HydrophobicContact CE1-CH2 4.5Å; F985-W1013 HydrophobicContact CE1-CZ2 4.02Å; F985-W1013 HydrophobicContact CZ-CH2 4.42Å; F985-W1013 HydrophobicContact CZ-CZ2 4.12Å; F988-W1013 AromaticContact CE2-CD1 3.85Å; F988-W1013 HydrophobicContact CE2-CD2 4.1Å; F988-W1013 AromaticContact CE2-CE2 3.57Å; F988-W1013 HydrophobicContact CE2-CG 4.28Å; F988-W1013 HydrophobicContact CE2-CZ2 4.02Å; F988-W1013 AromaticContact CE2-NE1 3.35Å; F988-W1013 HydrophobicContact CZ-CD2 4.24Å; F988-W1013 HydrophobicContact CZ-CG 4.33Å; F1009-W1013 WeakPolarHBondContact O-CB 3.5Å; F1009-W1013 PolarHBondContact O-N 3.29Å; I1011-W1013 PolarHBondContact O-N 3.47Å; W1013-T1016 PolarHBondContact O-N 2.59Å; W1013-F1017 HydrophobicContact CH2-CD2 4.14Å; W1013-F1017 HydrophobicContact CH2-CG 4.38Å; W1013-F1017 HydrophobicContact CZ3-CB 4.3Å; W1013-F1017 HydrophobicContact CZ3-CG 4.44Å; W1013-F1017 WeakPolarHBondContact O-CB 3.44Å; W1013-F1017 PolarHBondContact O-N 2.93Å
1014F93.8Very high91.1Very high125 Ų12557 Ų5755%0.54829%0.286SS..Hα-helixtrans-65.8-41.5179.6-173.1-92.9000112.7I1010 I1011 T1016 F1017 L1018I1010-F1014 WeakPolarHBondContact O-CB 3.38Å; I1010-F1014 PolarHBondContact O-N 2.71Å; I1011-F1014 PolarHBondContact O-N 2.77Å; F1014-T1016 VanDerWaalsContact C-N 3.32Å; F1014-T1016 PolarHBondContact O-N 2.82Å; F1014-F1017 PolarHBondContact O-N 2.82Å; F1014-L1018 WeakPolarHBondContact O-CB 3.46Å; F1014-L1018 PolarHBondContact O-N 3.41Å
1015V92.1Very high91.4Very high68 Ų6854.4 Ų54.441%0.41227%0.274SS..Hα-helixtrans-62.4-40.4175.5166.70000111I1011 I1012 L1018 L1019I1011-V1015 HydrophobicContact CG2-CG2 4.27Å; I1011-V1015 WeakPolarHBondContact O-CB 3.26Å; I1011-V1015 VanDerWaalsContact O-CG2 3.23Å; I1011-V1015 WeakPolarHBondContact O-CG2 3.2Å; I1011-V1015 PolarHBondContact O-N 2.69Å; I1012-V1015 PolarHBondContact O-N 3.4Å; V1015-L1018 PolarHBondContact O-N 2.9Å; V1015-L1019 HydrophobicContact CG1-CD1 3.75Å; V1015-L1019 HydrophobicContact CG1-CG 4.48Å; V1015-L1019 WeakPolarHBondContact O-CB 3.4Å; V1015-L1019 VanDerWaalsContact O-CG 3.3Å; V1015-L1019 WeakPolarHBondContact O-CG 3.32Å; V1015-L1019 PolarHBondContact O-N 2.9Å
1016T92.4Very high91.7Very high2 Ų255.5 Ų55.51%0.01228%0.282CS..Hα-helixtrans-69.2-42.8179-54.20000111.6I894 L984 I1012 W1013 F1014 L1018 L1019 Q1020I894-T1016 HydrophobicContact CB-CG2 4.37Å; I894-T1016 HydrophobicContact CD1-CG2 3.51Å; I894-T1016 HydrophobicContact CG1-CG2 3.61Å; I894-T1016 HydrophobicContact CG2-CG2 3.88Å; L984-T1016 HydrophobicContact CD1-CG2 4.31Å; L984-T1016 HydrophobicContact CD2-CG2 3.84Å; L984-T1016 HydrophobicContact CG-CG2 4.45Å; I1012-T1016 WeakPolarHBondContact O-CB 3.31Å; I1012-T1016 PolarHBondContact O-N 2.85Å; I1012-T1016 PolarHBondContact O-OG1 3.28Å; W1013-T1016 PolarHBondContact O-N 2.59Å; F1014-T1016 VanDerWaalsContact C-N 3.32Å; F1014-T1016 PolarHBondContact O-N 2.82Å; T1016-L1018 PolarHBondContact O-N 2.85Å; T1016-L1019 PolarHBondContact O-N 2.94Å; T1016-Q1020 WeakPolarHBondContact O-CB 3.34Å; T1016-Q1020 PolarHBondContact O-N 3.48Å
1017F94.2Very high91.5Very high58 Ų5855.7 Ų55.725%0.25429%0.286SS..Hα-helixtrans-60.5-43.7173.9-177.1-90.4000111.9L981 L984 W1013 F1014 Q1020 A1021L981-F1017 HydrophobicContact CD2-CD2 3.75Å; L981-F1017 HydrophobicContact CD2-CE2 3.61Å; L984-F1017 HydrophobicContact CD1-CB 4.33Å; L984-F1017 HydrophobicContact CD1-CD2 4.45Å; W1013-F1017 HydrophobicContact CH2-CD2 4.14Å; W1013-F1017 HydrophobicContact CH2-CG 4.38Å; W1013-F1017 HydrophobicContact CZ3-CB 4.3Å; W1013-F1017 HydrophobicContact CZ3-CG 4.44Å; W1013-F1017 WeakPolarHBondContact O-CB 3.44Å; W1013-F1017 PolarHBondContact O-N 2.93Å; F1014-F1017 PolarHBondContact O-N 2.82Å; F1017-Q1020 PolarHBondContact O-N 3.18Å; F1017-A1021 PolarHBondContact O-N 3.24Å
1018L94.3Very high91.3Very high90 Ų9054.9 Ų54.947%0.47128%0.282SS..Hα-helixtrans-64.5-44176.3-177.765.5000112.1F1014 V1015 T1016 Q1020 A1021 L1022F1014-L1018 WeakPolarHBondContact O-CB 3.46Å; F1014-L1018 PolarHBondContact O-N 3.41Å; V1015-L1018 PolarHBondContact O-N 2.9Å; T1016-L1018 PolarHBondContact O-N 2.85Å; L1018-Q1020 VanDerWaalsContact C-N 3.33Å; L1018-Q1020 PolarHBondContact O-N 2.99Å; L1018-A1021 PolarHBondContact O-N 3.29Å; L1018-L1022 HydrophobicContact CG-CD1 4.43Å; L1018-L1022 WeakPolarHBondContact O-CG 3.41Å; L1018-L1022 PolarHBondContact O-N 3.42Å
1019L92.1Very high90.8Very high68 Ų6857.2 Ų57.236%0.35629%0.288SS..Hα-helixtrans-62.7-40175.7-76.8164.8000111.7W890 V1015 T1016 L1022 I1023W890-L1019 HydrophobicContact CH2-CB 3.8Å; W890-L1019 HydrophobicContact CH2-CD1 4.04Å; W890-L1019 HydrophobicContact CH2-CG 4.44Å; W890-L1019 HydrophobicContact CZ2-CB 3.89Å; V1015-L1019 HydrophobicContact CG1-CD1 3.75Å; V1015-L1019 HydrophobicContact CG1-CG 4.48Å; V1015-L1019 WeakPolarHBondContact O-CB 3.4Å; V1015-L1019 VanDerWaalsContact O-CG 3.3Å; V1015-L1019 WeakPolarHBondContact O-CG 3.32Å; V1015-L1019 PolarHBondContact O-N 2.9Å; T1016-L1019 PolarHBondContact O-N 2.94Å; L1019-L1022 PolarHBondContact O-N 2.97Å; L1019-I1023 WeakPolarHBondContact O-CB 3.32Å; L1019-I1023 VanDerWaalsContact O-CG1 3.27Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.48Å; L1019-I1023 PolarHBondContact O-N 3.15Å
1020Q94.3Very high90.2Very high1 Ų159.4 Ų59.41%0.00531%0.306CS..Hα-helixtrans-61.5-46174-176.763.614.600111.4N977 V980 T1016 F1017 L1018 L1022 I1023 I1024N977-Q1020 WeakPolarHBondContact OD1-CG 3.39Å; N977-Q1020 PolarHBondContact OD1-NE2 3.13Å; V980-Q1020 HydrophobicContact CB-CG 4.21Å; V980-Q1020 HydrophobicContact CG1-CB 4.26Å; V980-Q1020 HydrophobicContact CG1-CG 3.75Å; T1016-Q1020 WeakPolarHBondContact O-CB 3.34Å; T1016-Q1020 PolarHBondContact O-N 3.48Å; F1017-Q1020 PolarHBondContact O-N 3.18Å; L1018-Q1020 VanDerWaalsContact C-N 3.33Å; L1018-Q1020 PolarHBondContact O-N 2.99Å; Q1020-L1022 VanDerWaalsContact C-N 3.32Å; Q1020-L1022 PolarHBondContact O-N 3.27Å; Q1020-I1023 PolarHBondContact O-N 3.12Å; Q1020-I1024 HydrophobicContact CG-CG1 4.48Å; Q1020-I1024 VanDerWaalsContact O-CG1 3.31Å; Q1020-I1024 WeakPolarHBondContact O-CG1 3.38Å; Q1020-I1024 PolarHBondContact O-N 3.49Å
1021A92.9Very high89.7Confident30 Ų3058.4 Ų58.425%0.24830%0.299CS..Hα-helixtrans-59.3-41.6175.900000112.5F1017 L1018 Q1025 W1041F1017-A1021 PolarHBondContact O-N 3.24Å; L1018-A1021 PolarHBondContact O-N 3.29Å; A1021-Q1025 WeakPolarHBondContact O-CB 3.36Å; A1021-Q1025 PolarHBondContact O-N 3.15Å; A1021-Q1025 VanDerWaalsContact O-N 3.08Å; A1021-W1041 HydrophobicContact CB-CH2 4.13Å; A1021-W1041 HydrophobicContact CB-CZ2 4.29Å
1022L93.2Very high89.1Confident82 Ų8255 Ų5543%0.42928%0.284SS..Hα-helixtrans-66-41.3175.6-69.1172.4000112.7L1018 L1019 Q1020 F1026L1018-L1022 HydrophobicContact CG-CD1 4.43Å; L1018-L1022 WeakPolarHBondContact O-CG 3.41Å; L1018-L1022 PolarHBondContact O-N 3.42Å; L1019-L1022 PolarHBondContact O-N 2.97Å; Q1020-L1022 VanDerWaalsContact C-N 3.32Å; Q1020-L1022 PolarHBondContact O-N 3.27Å; L1022-F1026 HydrophobicContact CD2-CD2 3.9Å; L1022-F1026 HydrophobicContact CD2-CE2 3.88Å; L1022-F1026 WeakPolarHBondContact O-CB 3.25Å; L1022-F1026 PolarHBondContact O-N 2.88Å
1023I91Very high89Confident15 Ų1554.3 Ų54.38%0.07728%0.281CS..Hα-helixtrans-63.5-46.2177.7-73.5164.4000110.7W890 F976 L1019 Q1020 G1027 F1031 T1033W890-I1023 HydrophobicContact CD2-CD1 3.73Å; W890-I1023 HydrophobicContact CE3-CD1 4.17Å; W890-I1023 HydrophobicContact CG-CD1 4.31Å; W890-I1023 HydrophobicContact CH2-CD1 3.98Å; W890-I1023 HydrophobicContact CZ2-CD1 3.49Å; W890-I1023 VanDerWaalsContact CZ2-CD1 3.49Å; W890-I1023 HydrophobicContact CZ3-CD1 4.29Å; F976-I1023 HydrophobicContact CE1-CG2 4.19Å; L1019-I1023 WeakPolarHBondContact O-CB 3.32Å; L1019-I1023 VanDerWaalsContact O-CG1 3.27Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.48Å; L1019-I1023 PolarHBondContact O-N 3.15Å; Q1020-I1023 PolarHBondContact O-N 3.12Å; I1023-G1027 WeakPolarHBondContact O-CA 3.47Å; I1023-G1027 PolarHBondContact O-N 3.41Å; I1023-F1031 HydrophobicContact CD1-CE1 4.04Å; I1023-F1031 HydrophobicContact CD1-CZ 4.11Å; I1023-F1031 HydrophobicContact CG1-CE1 4.3Å; I1023-F1031 HydrophobicContact CG1-CE2 4.22Å; I1023-F1031 HydrophobicContact CG1-CZ 4.11Å; I1023-F1031 HydrophobicContact CG2-CB 3.93Å; I1023-F1031 HydrophobicContact CG2-CD1 3.71Å; I1023-F1031 HydrophobicContact CG2-CD2 4.12Å; I1023-F1031 HydrophobicContact CG2-CE1 4.22Å; I1023-F1031 HydrophobicContact CG2-CG 3.65Å; I1023-T1033 PolarHBondContact O-OG1 3.34Å
1024I93Very high88.7Confident0 Ų056.4 Ų56.40%029%0.291CS..Hα-helixtrans-64.8-42.9179.3-64.8-64.9000111.6T973 F976 N977 Q1020 T1033 L1036 W1041T973-I1024 HydrophobicContact CG2-CD1 3.63Å; T973-I1024 HydrophobicContact CG2-CG2 4.27Å; F976-I1024 HydrophobicContact CD1-CD1 3.66Å; F976-I1024 HydrophobicContact CE1-CD1 3.79Å; N977-I1024 HydrophobicContact CB-CD1 3.81Å; N977-I1024 HydrophobicContact CB-CG1 4.27Å; Q1020-I1024 HydrophobicContact CG-CG1 4.48Å; Q1020-I1024 VanDerWaalsContact O-CG1 3.31Å; Q1020-I1024 WeakPolarHBondContact O-CG1 3.38Å; Q1020-I1024 PolarHBondContact O-N 3.49Å; I1024-T1033 HydrophobicContact CD1-CG2 4.21Å; I1024-L1036 HydrophobicContact CG2-CB 4.08Å; I1024-L1036 HydrophobicContact CG2-CD1 3.81Å; I1024-L1036 HydrophobicContact CG2-CG 3.75Å; I1024-W1041 HydrophobicContact CB-CZ2 3.82Å; I1024-W1041 HydrophobicContact CG1-CH2 4.44Å; I1024-W1041 HydrophobicContact CG1-CZ2 4.05Å; I1024-W1041 HydrophobicContact CG2-CZ2 3.8Å
1025Q91.2Very high88.5Confident88 Ų8852.5 Ų52.541%0.41128%0.282SS..Hα-helixtrans-80.5-33-174.2-16164.323.200113.7A1021A1021-Q1025 WeakPolarHBondContact O-CB 3.36Å; A1021-Q1025 PolarHBondContact O-N 3.15Å; A1021-Q1025 VanDerWaalsContact O-N 3.08Å
1026F90.2Very high88.3Confident159 Ų15949.7 Ų49.770%0.69726%0.264SS*.Hα-helixtrans-123.5-7.3-171.6-55.5-72.2000114.5L1022 S1028L1022-F1026 HydrophobicContact CD2-CD2 3.9Å; L1022-F1026 HydrophobicContact CD2-CE2 3.88Å; L1022-F1026 WeakPolarHBondContact O-CB 3.25Å; L1022-F1026 PolarHBondContact O-N 2.88Å; F1026-S1028 PolarHBondContact O-N 3.12Å
1027G81.7Confident88.2Confident11 Ų1155.7 Ų55.711%0.11329%0.292CS..  trans-70.5-28.6-175.100000114.8I1023 Y1029 A1030 F1031I1023-G1027 WeakPolarHBondContact O-CA 3.47Å; I1023-G1027 PolarHBondContact O-N 3.41Å; G1027-Y1029 PolarHBondContact O-N 2.64Å; G1027-A1030 WeakPolarHBondContact O-CB 3.34Å; G1027-A1030 PolarHBondContact O-N 3.18Å; G1027-F1031 PolarHBondContact O-N 3.29Å
1028S83.1Confident87.9Confident63 Ų6360.3 Ų60.344%0.44132%0.319SS..Hα-helixtrans43.9-135.1174-169.40000112.7F1026 A1030 F1031 S1032 T1033F1026-S1028 PolarHBondContact O-N 3.12Å; S1028-A1030 PolarHBondContact O-N 3.21Å; S1028-F1031 PolarHBondContact O-N 3.46Å; S1028-S1032 WeakPolarHBondContact O-CA 3.29Å; S1028-S1032 PolarHBondContact O-N 3.17Å; S1028-T1033 CarbonylContact C-O 3.6Å; S1028-T1033 WeakPolarHBondContact CA-O 3.3Å; S1028-T1033 PolarHBondContact N-O 2.83Å; S1028-T1033 PolarHBondContact N-OG1 3.07Å; S1028-T1033 PolarHBondContact O-N 2.88Å
1029Y77.1Confident87.7Confident107 Ų10760.5 Ų60.542%0.4232%0.32SS..Hα-helixtrans-59.2-26.5176.9-70.7-85.8000114.5A136 P968 G1027 F1031 S1032A136-Y1029 HydrophobicContact CB-CD1 4.32Å; A136-Y1029 HydrophobicContact CB-CE1 4.49Å; P968-Y1029 HydrophobicContact CG-CD1 4.23Å; P968-Y1029 HydrophobicContact CG-CE1 4.17Å; G1027-Y1029 PolarHBondContact O-N 2.64Å; Y1029-F1031 PolarHBondContact O-N 3.49Å; Y1029-S1032 PolarHBondContact O-N 2.9Å
1030A79.3Confident87.6Confident48 Ų4857.7 Ų57.740%0.39731%0.305SS..Hα-helixtrans-70.8-30.3-176.200000113.2G1027 S1028G1027-A1030 WeakPolarHBondContact O-CB 3.34Å; G1027-A1030 PolarHBondContact O-N 3.18Å; S1028-A1030 PolarHBondContact O-N 3.21Å
1031F81.2Confident87.5Confident56 Ų5659.8 Ų59.825%0.24631%0.313CS..Hα-helixtrans-108.83172.4-79.2-92.2000113.2I886 Q887 I1023 G1027 S1028 Y1029 T1033I886-F1031 HydrophobicContact CG2-CD1 3.76Å; I886-F1031 HydrophobicContact CG2-CE1 3.92Å; I886-F1031 HydrophobicContact CG2-CG 4.4Å; Q887-F1031 WeakPolarHBondContact CG-O 3.21Å; Q887-F1031 PolarHBondContact NE2-O 3.2Å; I1023-F1031 HydrophobicContact CD1-CE1 4.04Å; I1023-F1031 HydrophobicContact CD1-CZ 4.11Å; I1023-F1031 HydrophobicContact CG1-CE1 4.3Å; I1023-F1031 HydrophobicContact CG1-CE2 4.22Å; I1023-F1031 HydrophobicContact CG1-CZ 4.11Å; I1023-F1031 HydrophobicContact CG2-CB 3.93Å; I1023-F1031 HydrophobicContact CG2-CD1 3.71Å; I1023-F1031 HydrophobicContact CG2-CD2 4.12Å; I1023-F1031 HydrophobicContact CG2-CE1 4.22Å; I1023-F1031 HydrophobicContact CG2-CG 3.65Å; G1027-F1031 PolarHBondContact O-N 3.29Å; S1028-F1031 PolarHBondContact O-N 3.46Å; Y1029-F1031 PolarHBondContact O-N 3.49Å; F1031-T1033 VanDerWaalsContact C-N 3.33Å; F1031-T1033 HydrophobicContact CB-CG2 4.07Å; F1031-T1033 PolarHBondContact O-N 2.92Å
1032S80.6Confident87.5Confident28 Ų2860.8 Ų60.820%0.19632%0.322CS..THydrogen-bonded Turntrans53.446.4-171.1-51.40000112.8Q887 S1028 Y1029Q887-S1032 PolarHBondContact NE2-O 3.29Å; Q887-S1032 VanDerWaalsContact NE2-O 3.15Å; S1028-S1032 WeakPolarHBondContact O-CA 3.29Å; S1028-S1032 PolarHBondContact O-N 3.17Å; Y1029-S1032 PolarHBondContact O-N 2.9Å
1033T87.6Confident87.5Confident2 Ų260.6 Ų60.61%0.01232%0.315CS..  trans-122.7133.7-177.7510000111.2T973 F976 I1023 I1024 S1028 F1031T973-T1033 HydrophobicContact CG2-CG2 4.04Å; T973-T1033 WeakPolarHBondContact OG1-CA 3.46Å; F976-T1033 HydrophobicContact CD1-CG2 3.87Å; F976-T1033 HydrophobicContact CE1-CG2 3.94Å; I1023-T1033 PolarHBondContact O-OG1 3.34Å; I1024-T1033 HydrophobicContact CD1-CG2 4.21Å; S1028-T1033 CarbonylContact C-O 3.6Å; S1028-T1033 WeakPolarHBondContact CA-O 3.3Å; S1028-T1033 PolarHBondContact N-O 2.83Å; S1028-T1033 PolarHBondContact N-OG1 3.07Å; S1028-T1033 PolarHBondContact O-N 2.88Å; F1031-T1033 VanDerWaalsContact C-N 3.33Å; F1031-T1033 HydrophobicContact CB-CG2 4.07Å; F1031-T1033 PolarHBondContact O-N 2.92Å
1034K87Confident87.6Confident83 Ų8360 Ų6036%0.36131%0.312SS..PPolyproline II helixtrans-101.7139.1172.1-173.8167.3168.2-170.90109.2D958 P968 Q970 T973 L1036D958-K1034 IonicContact OD1-NZ 2.64Å; D958-K1034 IonicContact OD2-NZ 2.69Å; D958-K1034 PolarHBondContact OD2-NZ 3.37Å; P968-K1034 WeakPolarHBondContact O-CB 3.48Å; P968-K1034 WeakPolarHBondContact O-CD 3.28Å; Q970-K1034 HydrophobicContact CG-CB 4.15Å; Q970-K1034 HydrophobicContact CG-CD 3.9Å; Q970-K1034 HydrophobicContact CG-CG 3.88Å; T973-K1034 WeakPolarHBondContact CG2-O 3.5Å; T973-K1034 PolarHBondContact OG1-N 2.74Å; K1034-L1036 PolarHBondContact O-N 3.35Å
1035A89.6Confident87.7Confident43 Ų4363.4 Ų63.436%0.35533%0.33SS..PPolyproline II helixtrans-55.9132.3-176.200000111.1Q970Q970-A1035 PolarHBondContact NE2-O 2.84Å; Q970-A1035 VanDerWaalsContact NE2-O 3.15Å
1036L89.1Confident87.8Confident9 Ų965.3 Ų65.35%0.04734%0.337CS..PPolyproline II helixtrans-92.6143.7-179.4-66-178.6000110.7T973 I974 N977 I1024 K1034 Q1040T973-L1036 HydrophobicContact CG2-CD1 4.22Å; T973-L1036 HydrophobicContact CG2-CD2 4.06Å; T973-L1036 HydrophobicContact CG2-CG 3.96Å; I974-L1036 HydrophobicContact CD1-CD2 4.48Å; I974-L1036 HydrophobicContact CG1-CD1 4.49Å; I974-L1036 HydrophobicContact CG1-CD2 3.6Å; N977-L1036 HydrophobicContact CB-CD1 4Å; I1024-L1036 HydrophobicContact CG2-CB 4.08Å; I1024-L1036 HydrophobicContact CG2-CD1 3.81Å; I1024-L1036 HydrophobicContact CG2-CG 3.75Å; K1034-L1036 PolarHBondContact O-N 3.35Å; L1036-Q1040 HydrophobicContact CB-CB 4.28Å; L1036-Q1040 HydrophobicContact CD2-CB 4.38Å
1037E88.9Confident88.1Confident129 Ų12958.6 Ų58.660%0.60331%0.308SS*.PPolyproline II helixtrans-76166.9172.3-62.3-159.8170.700112.5D1039 Q1040 W1041E1037-D1039 VanDerWaalsContact C-N 3.29Å; E1037-D1039 PolarHBondContact O-N 2.95Å; E1037-Q1040 HydrophobicContact CB-CG 4.41Å; E1037-Q1040 PolarHBondContact O-N 2.9Å; E1037-W1041 PolarHBondContact O-N 3.21Å
1038L89.1Confident88.7Confident155 Ų15558.1 Ų58.181%0.81230%0.302SS*.Hα-helixtrans-67.6-30.7-173.6-145144.7000112.3A1042L1038-A1042 PolarHBondContact O-N 3.29Å
1039D89.8Confident89.3Confident94 Ų9458.1 Ų58.150%0.50330%0.3SS..Hα-helixtrans-70.8-46.3172.4-173.163.4000112.2E1037 W1041 A1042 W1043E1037-D1039 VanDerWaalsContact C-N 3.29Å; E1037-D1039 PolarHBondContact O-N 2.95Å; D1039-W1041 PolarHBondContact O-N 2.9Å; D1039-A1042 WeakPolarHBondContact O-CA 3.49Å; D1039-A1042 WeakPolarHBondContact O-CB 3.26Å; D1039-A1042 PolarHBondContact O-N 2.81Å; D1039-W1043 PolarHBondContact O-N 3.34Å; D1039-W1043 PolarHBondContact OD2-NE1 3.37Å
1040Q89.9Confident90.1Very high8 Ų853.9 Ų53.94%0.03729%0.289CS..Hα-helixtrans-57.8-38.8174.6-63.7172.9-16.500111.3M955 I974 L1036 E1037 C1044M955-Q1040 HydrophobicContact SD-CB 4.31Å; M955-Q1040 HydrophobicContact SD-CG 4.02Å; I974-Q1040 HydrophobicContact CD1-CB 4.43Å; I974-Q1040 HydrophobicContact CD1-CG 4.19Å; I974-Q1040 HydrophobicContact CG1-CB 4.49Å; L1036-Q1040 HydrophobicContact CB-CB 4.28Å; L1036-Q1040 HydrophobicContact CD2-CB 4.38Å; E1037-Q1040 HydrophobicContact CB-CG 4.41Å; E1037-Q1040 PolarHBondContact O-N 2.9Å; Q1040-C1044 PolarHBondContact O-N 3.06Å; Q1040-C1044 PolarHBondContact O-SG 3.22Å
1041W92.3Very high90.8Very high45 Ų4551.6 Ų51.617%0.1727%0.27CS..Hα-helixtrans-64.1-41.4170.7-96.1103.9000113.4N977 L981 A1021 I1024 E1037 D1039 W1043 C1044 L1045N977-W1041 WeakPolarHBondContact ND2-CH2 3.47Å; N977-W1041 VanDerWaalsContact ND2-CZ3 3.3Å; N977-W1041 WeakPolarHBondContact ND2-CZ3 3.17Å; L981-W1041 HydrophobicContact CD1-CE3 4.32Å; L981-W1041 HydrophobicContact CD1-CZ3 4.02Å; A1021-W1041 HydrophobicContact CB-CH2 4.13Å; A1021-W1041 HydrophobicContact CB-CZ2 4.29Å; I1024-W1041 HydrophobicContact CB-CZ2 3.82Å; I1024-W1041 HydrophobicContact CG1-CH2 4.44Å; I1024-W1041 HydrophobicContact CG1-CZ2 4.05Å; I1024-W1041 HydrophobicContact CG2-CZ2 3.8Å; E1037-W1041 PolarHBondContact O-N 3.21Å; D1039-W1041 PolarHBondContact O-N 2.9Å; W1041-W1043 VanDerWaalsContact C-N 3.34Å; W1041-W1043 PolarHBondContact O-N 3.05Å; W1041-C1044 PolarHBondContact O-N 3.48Å; W1041-L1045 WeakPolarHBondContact O-CB 3.34Å; W1041-L1045 PolarHBondContact O-N 3.09Å
1042A93.3Very high91.4Very high52 Ų5250.2 Ų50.243%0.4327%0.265SS..Hα-helixtrans-62.4-40.5177.200000111.7L1038 D1039 L1045 F1046L1038-A1042 PolarHBondContact O-N 3.29Å; D1039-A1042 WeakPolarHBondContact O-CA 3.49Å; D1039-A1042 WeakPolarHBondContact O-CB 3.26Å; D1039-A1042 PolarHBondContact O-N 2.81Å; A1042-L1045 PolarHBondContact O-N 3.41Å; A1042-F1046 WeakPolarHBondContact O-CB 3.41Å; A1042-F1046 PolarHBondContact O-N 3.09Å
1043W92.3Very high92Very high78 Ų7853.4 Ų53.430%0.29528%0.283SS..Hα-helixtrans-64.6-45.6172.4-76.7110000113.1I954 M955 D1039 W1041 L1045 F1046 F1047I954-W1043 HydrophobicContact CG2-CD2 4.19Å; I954-W1043 HydrophobicContact CG2-CH2 4.1Å; I954-W1043 HydrophobicContact CG2-CZ2 3.64Å; M955-W1043 HydrophobicContact CE-CB 3.49Å; M955-W1043 VanDerWaalsContact CE-CB 3.49Å; M955-W1043 HydrophobicContact CE-CD2 4.27Å; M955-W1043 HydrophobicContact CE-CG 3.56Å; M955-W1043 HydrophobicContact SD-CB 4.11Å; M955-W1043 HydrophobicContact SD-CG 4.09Å; D1039-W1043 PolarHBondContact O-N 3.34Å; D1039-W1043 PolarHBondContact OD2-NE1 3.37Å; W1041-W1043 VanDerWaalsContact C-N 3.34Å; W1041-W1043 PolarHBondContact O-N 3.05Å; W1043-L1045 VanDerWaalsContact C-N 3.26Å; W1043-L1045 PolarHBondContact O-N 3.48Å; W1043-F1046 HydrophobicContact CE3-CD1 4.12Å; W1043-F1046 HydrophobicContact CZ3-CD1 4.16Å; W1043-F1046 HydrophobicContact CZ3-CE1 4.39Å; W1043-F1046 WeakPolarHBondContact O-CB 3.45Å; W1043-F1046 PolarHBondContact O-N 2.72Å; W1043-F1046 VanDerWaalsContact O-N 3.17Å; W1043-F1047 HydrophobicContact CB-CE2 4.41Å; W1043-F1047 HydrophobicContact CE3-CE2 4.34Å; W1043-F1047 HydrophobicContact CE3-CZ 4.31Å; W1043-F1047 WeakPolarHBondContact O-CD2 3.4Å; W1043-F1047 PolarHBondContact O-N 3.38Å
1044C93.4Very high92.3Very high1 Ų158.2 Ų58.21%0.00730%0.301CS..Hα-helixtrans-58.4-41174.9-65.70000111.3L981 Q1040 W1041 G1048L981-C1044 HydrophobicContact CD1-CB 3.82Å; Q1040-C1044 PolarHBondContact O-N 3.06Å; Q1040-C1044 PolarHBondContact O-SG 3.22Å; W1041-C1044 PolarHBondContact O-N 3.48Å; C1044-G1048 PolarHBondContact O-N 3.34Å; C1044-G1048 VanDerWaalsContact O-N 3.09Å
1045L94.1Very high92.5Very high72 Ų7254.3 Ų54.338%0.37728%0.284SS..Hα-helixtrans-68-39.4176.4-17565.7000112F985 W1041 A1042 W1043 G1048 V1049F985-L1045 HydrophobicContact CE2-CD1 3.85Å; F985-L1045 HydrophobicContact CZ-CD1 3.91Å; W1041-L1045 WeakPolarHBondContact O-CB 3.34Å; W1041-L1045 PolarHBondContact O-N 3.09Å; A1042-L1045 PolarHBondContact O-N 3.41Å; W1043-L1045 VanDerWaalsContact C-N 3.26Å; W1043-L1045 PolarHBondContact O-N 3.48Å; L1045-G1048 PolarHBondContact O-N 3.15Å; L1045-V1049 HydrophobicContact CD1-CG2 4.36Å; L1045-V1049 HydrophobicContact CG-CG2 4.42Å; L1045-V1049 WeakPolarHBondContact O-CG2 3.33Å; L1045-V1049 PolarHBondContact O-N 3.13Å
1046F95.2Very high92.6Very high128 Ų12855 Ų5556%0.56128%0.28SS*.Hα-helixtrans-59.2-48.7175.7172.7-97.7000111.6A1042 W1043 G1048 V1049 G1050A1042-F1046 WeakPolarHBondContact O-CB 3.41Å; A1042-F1046 PolarHBondContact O-N 3.09Å; W1043-F1046 HydrophobicContact CE3-CD1 4.12Å; W1043-F1046 HydrophobicContact CZ3-CD1 4.16Å; W1043-F1046 HydrophobicContact CZ3-CE1 4.39Å; W1043-F1046 WeakPolarHBondContact O-CB 3.45Å; W1043-F1046 PolarHBondContact O-N 2.72Å; W1043-F1046 VanDerWaalsContact O-N 3.17Å; F1046-G1048 VanDerWaalsContact C-N 3.31Å; F1046-G1048 PolarHBondContact O-N 2.9Å; F1046-V1049 PolarHBondContact O-N 3.02Å; F1046-G1050 PolarHBondContact O-N 2.94Å
1047F94.8Very high92.6Very high19 Ų1957.5 Ų57.58%0.08330%0.296CS..Hα-helixtrans-63.2-37.7175.7-66.1-57.9000112.4Y939 V943 L947 M982 W1043 G1050 E1051Y939-F1047 PolarHBondContact OH-O 3.12Å; V943-F1047 HydrophobicContact CG1-CB 3.96Å; V943-F1047 HydrophobicContact CG1-CD1 3.71Å; V943-F1047 HydrophobicContact CG1-CD2 4.2Å; V943-F1047 HydrophobicContact CG1-CE1 4.27Å; V943-F1047 HydrophobicContact CG1-CG 3.69Å; V943-F1047 HydrophobicContact CG2-CD1 4.02Å; L947-F1047 HydrophobicContact CD1-CD2 4.37Å; L947-F1047 HydrophobicContact CD1-CE2 4.43Å; L947-F1047 HydrophobicContact CD2-CE2 3.93Å; L947-F1047 HydrophobicContact CD2-CZ 4.44Å; L947-F1047 HydrophobicContact CG-CE2 4.48Å; M982-F1047 HydrophobicContact CG-CB 4.46Å; M982-F1047 HydrophobicContact SD-CB 4.43Å; W1043-F1047 HydrophobicContact CB-CE2 4.41Å; W1043-F1047 HydrophobicContact CE3-CE2 4.34Å; W1043-F1047 HydrophobicContact CE3-CZ 4.31Å; W1043-F1047 WeakPolarHBondContact O-CD2 3.4Å; W1043-F1047 PolarHBondContact O-N 3.38Å; F1047-G1050 PolarHBondContact O-N 3.34Å; F1047-E1051 PolarHBondContact O-N 3.19Å
1048G94.3Very high92.7Very high0 Ų051.9 Ų51.90%027%0.27CS..Hα-helixtrans-60.6-51.8173.100000113.1F985 C1044 L1045 F1046 G1050 E1051F985-G1048 WeakPolarHBondContact CB-O 3.47Å; F985-G1048 VanDerWaalsContact CD2-CA 3.49Å; F985-G1048 WeakPolarHBondContact CD2-O 3.36Å; F985-G1048 WeakPolarHBondContact CG-O 3.13Å; C1044-G1048 PolarHBondContact O-N 3.34Å; C1044-G1048 VanDerWaalsContact O-N 3.09Å; L1045-G1048 PolarHBondContact O-N 3.15Å; F1046-G1048 VanDerWaalsContact C-N 3.31Å; F1046-G1048 PolarHBondContact O-N 2.9Å; G1048-G1050 VanDerWaalsContact C-N 3.28Å; G1048-G1050 PolarHBondContact O-N 3.31Å; G1048-E1051 WeakPolarHBondContact O-CB 3.22Å; G1048-E1051 PolarHBondContact O-N 3.22Å
1049V95.5Very high92.6Very high63 Ų6345.9 Ų45.938%0.38224%0.239SC..Hα-helixtrans-65.6-32.9177.3173.40000111.4F985 L1045 F1046 E1051 L1052 V1053F985-V1049 HydrophobicContact CE1-CG2 4.19Å; F985-V1049 HydrophobicContact CE2-CG2 4.21Å; F985-V1049 HydrophobicContact CZ-CG2 3.87Å; L1045-V1049 HydrophobicContact CD1-CG2 4.36Å; L1045-V1049 HydrophobicContact CG-CG2 4.42Å; L1045-V1049 WeakPolarHBondContact O-CG2 3.33Å; L1045-V1049 PolarHBondContact O-N 3.13Å; F1046-V1049 PolarHBondContact O-N 3.02Å; V1049-E1051 PolarHBondContact O-N 2.59Å; V1049-L1052 WeakPolarHBondContact O-CB 3.22Å; V1049-L1052 PolarHBondContact O-N 2.89Å; V1049-V1053 PolarHBondContact O-N 3.05Å
1050G95.4Very high92.4Very high18 Ų1845.5 Ų45.519%0.18624%0.24CC..Hα-helixtrans-56.6-31.2173.400000113.4Y939 F1046 F1047 G1048 L1052 V1053 W1054Y939-G1050 WeakPolarHBondContact OH-CA 3.39Å; F1046-G1050 PolarHBondContact O-N 2.94Å; F1047-G1050 PolarHBondContact O-N 3.34Å; G1048-G1050 VanDerWaalsContact C-N 3.28Å; G1048-G1050 PolarHBondContact O-N 3.31Å; G1050-L1052 VanDerWaalsContact C-N 3.32Å; G1050-L1052 PolarHBondContact O-N 2.77Å; G1050-V1053 PolarHBondContact O-N 3.36Å; G1050-W1054 WeakPolarHBondContact O-CB 3.21Å; G1050-W1054 PolarHBondContact O-N 2.96Å
1051E94.3Very high92.2Very high0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-60.3-38.2173.2-171.173.8-105.200112.5H936 Y939 Q940 F985 N986 N989 F1047 G1048 V1049 W1054 G1055H936-E1051 IonicContact CE1-OE1 3.57Å; H936-E1051 IonicContact CG-OE1 3.6Å; H936-E1051 IonicContact ND1-OE1 2.8Å; H936-E1051 PolarHBondContact ND1-OE1 2.83Å; Y939-E1051 HydrophobicContact CD1-CB 4.48Å; Y939-E1051 WeakPolarHBondContact CD1-OE2 3.44Å; Y939-E1051 HydrophobicContact CE1-CB 4.02Å; Q940-E1051 WeakPolarHBondContact CG-OE2 3.4Å; Q940-E1051 PolarHBondContact NE2-OE2 2.83Å; F985-E1051 HydrophobicContact CB-CB 4.29Å; N986-E1051 HydrophobicContact CB-CG 3.88Å; N989-E1051 PolarHBondContact ND2-O 3.14Å; F1047-E1051 PolarHBondContact O-N 3.19Å; G1048-E1051 WeakPolarHBondContact O-CB 3.22Å; G1048-E1051 PolarHBondContact O-N 3.22Å; V1049-E1051 PolarHBondContact O-N 2.59Å; E1051-W1054 PolarHBondContact O-N 3.12Å; E1051-G1055 PolarHBondContact O-N 3.28Å
1052L92.9Very high91.5Very high28 Ų2849.5 Ų49.515%0.14727%0.271CS..Hα-helixtrans-65.3-41.2176.4-62.2178.2000111.2F985 F988 F1000 V1049 G1050F985-L1052 HydrophobicContact CB-CD2 4.25Å; F985-L1052 HydrophobicContact CB-CG 4.18Å; F985-L1052 HydrophobicContact CD1-CD1 3.72Å; F985-L1052 HydrophobicContact CD1-CD2 4.29Å; F985-L1052 HydrophobicContact CD1-CG 3.96Å; F985-L1052 HydrophobicContact CE1-CD1 4.22Å; F985-L1052 HydrophobicContact CG-CG 4.42Å; F985-L1052 VanDerWaalsContact O-CD2 3.3Å; F985-L1052 WeakPolarHBondContact O-CD2 3.42Å; F988-L1052 HydrophobicContact CB-CD2 3.9Å; F988-L1052 HydrophobicContact CD2-CD2 4.47Å; F1000-L1052 HydrophobicContact CZ-CD1 4.26Å; V1049-L1052 WeakPolarHBondContact O-CB 3.22Å; V1049-L1052 PolarHBondContact O-N 2.89Å; G1050-L1052 VanDerWaalsContact C-N 3.32Å; G1050-L1052 PolarHBondContact O-N 2.77Å
1053V93.1Very high90.6Very high95 Ų9550 Ų5058%0.57627%0.267SS*.Hα-helixtrans-69-44.9178.2-176.10000110V1049 G1050 G1055 Q1056 V1057V1049-V1053 PolarHBondContact O-N 3.05Å; G1050-V1053 PolarHBondContact O-N 3.36Å; V1053-G1055 VanDerWaalsContact C-N 3.29Å; V1053-G1055 PolarHBondContact O-N 3.32Å; V1053-Q1056 WeakPolarHBondContact O-CB 3.44Å; V1053-Q1056 PolarHBondContact O-N 2.89Å; V1053-V1057 PolarHBondContact O-N 3.15Å
1054W93.8Very high89.5Confident103 Ų10350.6 Ų50.639%0.3929%0.288SS..Hα-helixtrans-61.4-36.8177.1-166.9-105.6000112.4G935 Y939 G1050 E1051 Q1056 V1057 V1058G935-W1054 PolarHBondContact O-NE1 3.47Å; Y939-W1054 VanDerWaalsContact CB-CD1 3.43Å; Y939-W1054 HydrophobicContact CD2-CB 4.02Å; Y939-W1054 AromaticContact CD2-CD2 3.92Å; Y939-W1054 HydrophobicContact CD2-CD2 3.92Å; Y939-W1054 HydrophobicContact CD2-CE3 4.34Å; Y939-W1054 AromaticContact CD2-CG 3.75Å; Y939-W1054 HydrophobicContact CD2-CG 3.75Å; Y939-W1054 HydrophobicContact CE2-CB 4.34Å; Y939-W1054 HydrophobicContact CG-CB 4.24Å; Y939-W1054 AromaticContact CG-CD1 3.88Å; Y939-W1054 HydrophobicContact CG-CD2 4.43Å; Y939-W1054 AromaticContact CG-CG 3.93Å; Y939-W1054 HydrophobicContact CG-CG 3.93Å; G1050-W1054 WeakPolarHBondContact O-CB 3.21Å; G1050-W1054 PolarHBondContact O-N 2.96Å; E1051-W1054 PolarHBondContact O-N 3.12Å; W1054-Q1056 PolarHBondContact O-N 3.18Å; W1054-V1057 HydrophobicContact CE3-CB 4.44Å; W1054-V1057 HydrophobicContact CE3-CG2 4.45Å; W1054-V1057 CarbonylContact O-C 3.56Å; W1054-V1057 WeakPolarHBondContact O-CA 3.28Å; W1054-V1057 WeakPolarHBondContact O-CB 3.38Å; W1054-V1057 PolarHBondContact O-N 3.06Å; W1054-V1058 HydrophobicContact CG-CG2 4.47Å; W1054-V1058 WeakPolarHBondContact O-CG2 3.43Å; W1054-V1058 PolarHBondContact O-N 2.65Å
1055G91.2Very high88.2Confident0 Ų056.3 Ų56.30%032%0.317CS..Hα-helixtrans-57.1-31.7171.800000114.1H936 E1051 V1053 N1059H936-G1055 VanDerWaalsContact CE1-CA 3.4Å; H936-G1055 WeakPolarHBondContact CE1-CA 3.28Å; E1051-G1055 PolarHBondContact O-N 3.28Å; V1053-G1055 VanDerWaalsContact C-N 3.29Å; V1053-G1055 PolarHBondContact O-N 3.32Å; G1055-N1059 WeakPolarHBondContact O-CB 3.45Å; G1055-N1059 PolarHBondContact O-N 3.08Å; G1055-N1059 PolarHBondContact O-ND2 3.09Å
1056Q91Very high86.7Confident57 Ų5754.6 Ų54.627%0.26631%0.308SS..Hα-helixtrans-71.4-40.3172.6-59.1-57.4-41.300111.6R997 V1053 W1054 N1059 T1060R997-Q1056 PolarHBondContact O-NE2 3.06Å; R997-Q1056 PolarHBondContact O-OE1 2.64Å; V1053-Q1056 WeakPolarHBondContact O-CB 3.44Å; V1053-Q1056 PolarHBondContact O-N 2.89Å; W1054-Q1056 PolarHBondContact O-N 3.18Å; Q1056-N1059 WeakPolarHBondContact O-CB 3.45Å; Q1056-N1059 PolarHBondContact O-N 3.29Å; Q1056-T1060 PolarHBondContact O-N 2.88Å
1057V90.7Very high85Confident63 Ų6353.5 Ų53.538%0.38231%0.314SS..Hα-helixtrans-62.1-49175.1-176.50000110.8V1053 W1054 N1059 T1060 V1061V1053-V1057 PolarHBondContact O-N 3.15Å; W1054-V1057 HydrophobicContact CE3-CB 4.44Å; W1054-V1057 HydrophobicContact CE3-CG2 4.45Å; W1054-V1057 CarbonylContact O-C 3.56Å; W1054-V1057 WeakPolarHBondContact O-CA 3.28Å; W1054-V1057 WeakPolarHBondContact O-CB 3.38Å; W1054-V1057 PolarHBondContact O-N 3.06Å; V1057-N1059 PolarHBondContact O-N 3.19Å; V1057-T1060 PolarHBondContact O-N 2.73Å; V1057-T1060 PolarHBondContact O-OG1 3.25Å; V1057-V1061 PolarHBondContact O-N 3.47Å
1058V90.6Very high83.1Confident10 Ų1059.9 Ų59.96%0.06134%0.341CS..Hα-helixtrans-57.5-35.1176.4175.60000111.3K931 W1054 V1061K931-V1058 WeakPolarHBondContact CE-O 3.44Å; K931-V1058 HydrophobicContact CG-CG1 4.21Å; K931-V1058 PolarHBondContact NZ-O 2.89Å; W1054-V1058 HydrophobicContact CG-CG2 4.47Å; W1054-V1058 WeakPolarHBondContact O-CG2 3.43Å; W1054-V1058 PolarHBondContact O-N 2.65Å; V1058-V1061 PolarHBondContact O-N 3.22Å
1059N86.1Confident81Confident30 Ų3065.5 Ų65.516%0.1638%0.379CS..Hα-helixtrans-69.9-26.5175.5-82.8-50.2000114.3Q928 G1055 Q1056 V1057 V1061Q928-N1059 PolarHBondContact NE2-OD1 3.43Å; G1055-N1059 WeakPolarHBondContact O-CB 3.45Å; G1055-N1059 PolarHBondContact O-N 3.08Å; G1055-N1059 PolarHBondContact O-ND2 3.09Å; Q1056-N1059 WeakPolarHBondContact O-CB 3.45Å; Q1056-N1059 PolarHBondContact O-N 3.29Å; V1057-N1059 PolarHBondContact O-N 3.19Å; N1059-V1061 VanDerWaalsContact C-N 3.34Å
1060T86.7Confident78.2Confident85 Ų8572.3 Ų72.352%0.52140%0.404SS..Hα-helixtrans-74.4-23.7173.766.10000113.2Q1056 V1057Q1056-T1060 PolarHBondContact O-N 2.88Å; V1057-T1060 PolarHBondContact O-N 2.73Å; V1057-T1060 PolarHBondContact O-OG1 3.25Å
1061V84.3Confident75.4Confident56 Ų5676.9 Ų76.934%0.33943%0.432SS..SBendtrans-67.3124.6-177.8-178.80000110.8K931 V1057 V1058 N1059 I1065K931-V1061 HydrophobicContact CD-CB 4.27Å; K931-V1061 HydrophobicContact CD-CG1 4.45Å; K931-V1061 WeakPolarHBondContact CD-O 3.38Å; K931-V1061 PolarHBondContact NZ-O 2.87Å; V1057-V1061 PolarHBondContact O-N 3.47Å; V1058-V1061 PolarHBondContact O-N 3.22Å; N1059-V1061 VanDerWaalsContact C-N 3.34Å; V1061-I1065 HydrophobicContact CG1-CD1 3.8Å
1062P78Confident72.4Confident81 Ų8188.7 Ų88.753%0.52648%0.476SS..  trans-71.5140.2-175.726.9-33.9000112.9A1064 I1065P1062-A1064 PolarHBondContact O-N 2.91Å; P1062-I1065 HydrophobicContact CG-CD1 4.19Å; P1062-I1065 HydrophobicContact CG-CG1 4.45Å; P1062-I1065 PolarHBondContact O-N 3.07Å
1063N74.4Confident69.4Low64 Ų6497.1 Ų97.134%0.34251%0.512SS..THydrogen-bonded Turntrans-66.82.2-175.5-67.8-22000115.3Q928 K931Q928-N1063 PolarHBondContact OE1-ND2 2.79Å; Q928-N1063 PolarHBondContact OE1-OD1 2.98Å; K931-N1063 WeakPolarHBondContact CD-OD1 3.48Å; K931-N1063 WeakPolarHBondContact CE-OD1 3.36Å; K931-N1063 PolarHBondContact NZ-OD1 2.66Å
1064A68.9Low66.3Low89 Ų89103.9 Ų103.974%0.73653%0.527SS*.THydrogen-bonded Turntrans-77.8-26.2176.100000113.1P1062 I1066P1062-A1064 PolarHBondContact O-N 2.91Å; A1064-I1066 VanDerWaalsContact C-N 3.27Å; A1064-I1066 PolarHBondContact O-N 3.1Å
1065I67.4Low63.1Low121 Ų121109 Ų10962%0.62155%0.552SS**SBendtrans-68.1-27.5-175.3-61.9178.6000111.8V1061 P1062V1061-I1065 HydrophobicContact CG1-CD1 3.8Å; P1062-I1065 HydrophobicContact CG-CD1 4.19Å; P1062-I1065 HydrophobicContact CG-CG1 4.45Å; P1062-I1065 PolarHBondContact O-N 3.07Å
1066I62.4Low60.2Low36 Ų36118.7 Ų118.719%0.18559%0.589CS.*SBendtrans-84.1120178.2-59.8-173.7000110.2K931 A1064K931-I1066 HydrophobicContact CB-CD1 3.47Å; K931-I1066 VanDerWaalsContact CB-CD1 3.47Å; K931-I1066 HydrophobicContact CG-CD1 3.96Å; A1064-I1066 VanDerWaalsContact C-N 3.27Å; A1064-I1066 PolarHBondContact O-N 3.1Å
1067P58.4Low57.2Low105 Ų105121.4 Ų121.468%0.68261%0.611SS**  trans-60.6144.1-176.823.5-33.2000111.7C1069P1067-C1069 PolarHBondContact O-N 2.98Å
1068K55.5Low54.3Low153 Ų153125 Ų12567%0.66563%0.634SS**  trans-63.9109.9176.2-56.6-171.9-179.5170.90108.9K1070K1068-K1070 PolarHBondContact O-N 3Å
1069C49.9Very low51.4Low118 Ų118130.8 Ų130.880%0.79767%0.668SS**  trans-52.3104171.3-68.80000110.4P1067 C1071P1067-C1069 PolarHBondContact O-N 2.98Å; C1069-C1071 PolarHBondContact O-N 3.15Å
1070K37.8Very low48.7Very low206 Ų206135.6 Ų135.690%0.89670%0.699SS**  trans-75.974.4179.5-74.7-179.8178.8173.10109.7K1068 R1072K1068-K1070 PolarHBondContact O-N 3Å; K1070-R1072 PolarHBondContact O-N 2.63Å
1071C37Very low46Very low115 Ų115134.8 Ų134.878%0.77771%0.707SS**  trans-59113.9160.6-68.30000108C1069 K1073C1069-C1071 PolarHBondContact O-N 3.15Å; C1071-K1073 PolarHBondContact O-N 2.94Å
1072R30.7Very low43.3Very low248 Ų248138.9 Ų138.994%0.93673%0.732SS**  trans-40.3104.4-175.2-169.1173.6-177.9173.1-0.4110.9K1070 R1074K1070-R1072 PolarHBondContact O-N 2.63Å; R1072-R1074 PolarHBondContact O-N 3.09Å
1073K29.2Very low41Very low204 Ų204142.2 Ų142.289%0.88775%0.745SS**  trans-59.1108.4175.7-77.9-174.8176.9-178.60107.8C1071 K1075C1071-K1073 PolarHBondContact O-N 2.94Å; K1073-K1075 PolarHBondContact O-N 3.38Å
1074R29.4Very low38.7Very low238 Ų238147.5 Ų147.590%0.89877%0.768SS**PPolyproline II helixtrans-57.5127.7161.2-129.9175.4178.4172.7-2.4106R1072 R1076R1072-R1074 PolarHBondContact O-N 3.09Å; R1074-R1076 PolarHBondContact O-N 2.99Å
1075K26.4Very low36.6Very low209 Ų209151 Ų15191%0.90977%0.774SS**PPolyproline II helixtrans-50.1118.2174-78-175.4173.8-176.40107.2K1073K1073-K1075 PolarHBondContact O-N 3.38Å
1076R29.9Very low34.8Very low205 Ų205150.3 Ų150.377%0.77479%0.786SS**PPolyproline II helixtrans-72.1140.6165.9-75-176.7172.1-171.4-5.7106.4R1074 T1078R1074-R1076 PolarHBondContact O-N 2.99Å; R1076-T1078 PolarHBondContact O-N 3.44Å
1077P28.2Very low33Very low113 Ų113154 Ų15473%0.73482%0.822SS**PPolyproline II helixtrans-59.3134.1161.328.4-32.6000107.6V1079P1077-V1079 PolarHBondContact O-N 3.35Å; P1077-V1079 VanDerWaalsContact O-N 3.14Å
1078T28.9Very low31.6Very low140 Ų140152.3 Ų152.386%0.85982%0.824SS**  trans-64.2110.8173.7-7.40000107.6R1076 V1080R1076-T1078 PolarHBondContact O-N 3.44Å; T1078-V1080 PolarHBondContact O-N 3.39Å
1079V30.8Very low30.3Very low131 Ų131154.6 Ų154.679%0.79484%0.837SS**PPolyproline II helixtrans-74.2122.1163.2178.40000105.6P1077P1077-V1079 PolarHBondContact O-N 3.35Å; P1077-V1079 VanDerWaalsContact O-N 3.14Å
1080V29.5Very low29.2Very low131 Ų131159.3 Ų159.379%0.79484%0.839SS**PPolyproline II helixtrans-55.6139.5177.2173.90000108.9T1078 V1082T1078-V1080 PolarHBondContact O-N 3.39Å; V1080-V1082 PolarHBondContact O-N 2.99Å
1081G29.5Very low28.7Very low67 Ų67156.3 Ų156.369%0.69183%0.831SS**PPolyproline II helixtrans-61134.1-171.700000112.8
1082V27.8Very low28.1Very low143 Ų143158.9 Ų158.987%0.86783%0.829SS**  trans-81.6109.9156.6177.40000105.7V1080 E1084V1080-V1082 PolarHBondContact O-N 2.99Å; V1082-E1084 PolarHBondContact O-N 2.85Å
1083N29.7Very low28Very low151 Ų151153.3 Ų153.381%0.80782%0.818SS**  trans-65.9130.1171.9-103.1-4.1000109.3
1084E25Very low27.9Very low175 Ų175147.8 Ų147.882%0.81881%0.811SS**SBendtrans-68.8147.9153.8-66.5175.5143.600108V1082V1082-E1084 PolarHBondContact O-N 2.85Å
1085N25.7Very low27.9Very low163 Ų163144.1 Ų144.187%0.87281%0.807SS**  trans88.285.3-173.3-49.6-29.3000116.4
1086A28.7Very low27.9Very low106 Ų106142.7 Ų142.788%0.87680%0.804SS**  trans-160.979.215000000110.8
1087A25.6Very low27.7Very low113 Ų113139.7 Ų139.793%0.93481%0.808SS**  trans-108104.4156.200000106.5
1088G27.7Very low27.6Very low69 Ų69137.9 Ų137.971%0.71181%0.81SS**  trans168.5101.6-174.100000113.9
1089E28.5Very low27.5Very low201 Ų201139.7 Ų139.794%0.93981%0.809SS**  trans59.8164.9149.5-70.3-175127.400122.9
1090Y27.5Very low27.2Very low217 Ų217139 Ų13985%0.85180%0.804SS**  trans-110.7168.3-161.6-93.1-102.5000111.7
1091I27.2Very low27Very low143 Ų143139.9 Ų139.973%0.73381%0.805SS**  trans93112.6145.3-80155000120.6
1092K24.5Very low26.8Very low169 Ų169145.2 Ų145.274%0.73581%0.812SS**  trans80.3127.7135.7-78.1-176.1167.4-162.90126
1093D27.4Very low26.7Very low132 Ų132147.3 Ų147.371%0.70681%0.812SS**  81.9129.8129.5-56.8-14.8000124.7
1094A28.7Very low26.6Very low88 Ų88149.6 Ų149.673%0.72782%0.818SS**  trans59.9120.114800000121
1095I28.3Very low26.6Very low160 Ų160150.2 Ų150.282%0.82182%0.821SS**  97.9146.764.7-72.7162.6000112.8
1096E27Very low26.8Very low180 Ų180150.1 Ų150.184%0.84182%0.82SS**  trans94.2112.9-179.6-53.3-159.4147.900114.9
1097V25.6Very low26.7Very low141 Ų141154.1 Ų154.186%0.85582%0.821SS**  cis106.1129.638.2166.70000111
1098G25.8Very low26.7Very low76 Ų76156.3 Ų156.378%0.78482%0.815SS**  trans-178.1115.1174.200000110.9
1099E26.3Very low26.6Very low177 Ų177158.6 Ų158.683%0.82782%0.82SS**  trans-92.3139.9-177.4-73.2176.8129.600111.1
1100V24.7Very low26.9Very low116 Ų116154.3 Ų154.370%0.70381%0.81SS**  86.5154.991.5-176.20000114
1101D26.5Very low26.8Very low150 Ų150151.8 Ų151.880%0.80281%0.81SS**  trans104.1100.3-178.5-58.3-10.5000111.7
1102E24.6Very low26.7Very low179 Ų179150.5 Ų150.584%0.83681%0.814SS**  87.3150.750.6-69.8-153.516200115.5
1103E25.6Very low26.8Very low188 Ų188150.8 Ų150.888%0.87982%0.823SS**  trans72.5103.7177.7-57.8-172.5176.800120
1104E28.2Very low26.8Very low198 Ų198148.3 Ų148.393%0.92583%0.828SS**  -157.5136.1101.3-120.9178.8-172.600110.3
1105E25Very low26.6Very low189 Ų189147.8 Ų147.888%0.88383%0.832SS**  trans-89.2157-178.1-60.7-177.6118.900112.2
1106D28.4Very low26.7Very low161 Ų161144.7 Ų144.786%0.86183%0.83SS**  trans-160155.5139.4-122.8-22.8000112.9
1107E27.4Very low26.8Very low189 Ų189144.1 Ų144.188%0.88383%0.832SS**  trans-79.1166.2-147.2-66-174.7117.900119.9
1108I25.4Very low26.9Very low160 Ų160147 Ų14782%0.82184%0.839SS**  trans-107.2129.2171.8-58.9166.3000110.1
1109S25.1Very low27Very low116 Ų116146.5 Ų146.581%0.81183%0.834SS**  trans176.2165.7144.2-90.10000113.9
1110P35.7Very low27.6Very low112 Ų112145.4 Ų145.473%0.72783%0.832SS**  trans-122.8172.5-134.239.5-27.2000118.3
1111L24.9Very low28.1Very low164 Ų164142.5 Ų142.586%0.85983%0.826SS**  trans69104.4158-97.6143.7000119.1
1112S26.4Very low28.4Very low116 Ų116138 Ų13881%0.81182%0.815SS**  -173173.9115.956.80000113.2
1113L26.3Very low29Very low175 Ų175139 Ų13992%0.91681%0.811SS**  trans-57142-170.7-78.859.3000115.2
1114G26.4Very low29.7Very low80 Ų80135.1 Ų135.183%0.82580%0.795SS**  trans174.980.6161.800000118.8
1115G26Very low30.3Very low77 Ų77132 Ų13279%0.79478%0.784SS**  trans87.4149.1146.100000120.8
1116A29.1Very low30.7Very low95 Ų95132.7 Ų132.779%0.78578%0.779SS**SBendtrans64.750.115300000121.1
1117N30.4Very low31.4Very low167 Ų167128.3 Ų128.389%0.89376%0.755SS**  trans-155.318142.6-104.9-43.1000117.2G1119N1117-G1119 PolarHBondContact O-N 3.4Å
1118M27.6Very low32Very low202 Ų202128 Ų128100%0.99575%0.745SS**  trans-96.778171.3-79.7173.258.900111.3
1119G27.9Very low32.6Very low66 Ų66121.5 Ų121.568%0.6872%0.718SS**  trans-136.712.3-169.200000117.7N1117N1117-G1119 PolarHBondContact O-N 3.4Å
1120I38.5Very low33.4Very low153 Ų153118.6 Ų118.679%0.78570%0.695SS**SBendtrans-139.7-26.9174.6-84.8115.7000113.3G1122I1120-G1122 PolarHBondContact O-N 2.94Å
1121G33.9Very low33.5Very low56 Ų56117.9 Ų117.958%0.57769%0.686SS**THydrogen-bonded Turntrans-66.8-27.1-176.100000115.8R1123G1121-R1123 PolarHBondContact O-N 3.37Å
1122G33.4Very low34.1Very low55 Ų55118.3 Ų118.357%0.56768%0.676SS**Hα-helixtrans-69.7-30.6-173.200000115.4I1120 I1124 L1125I1120-G1122 PolarHBondContact O-N 2.94Å; G1122-I1124 VanDerWaalsContact C-N 3.31Å; G1122-I1124 PolarHBondContact O-N 3.34Å; G1122-L1125 WeakPolarHBondContact O-CB 3.35Å; G1122-L1125 PolarHBondContact O-N 3.45Å
1123R36.7Very low34.9Very low199 Ų199117.3 Ų117.375%0.75166%0.66SS**Hα-helixtrans-73.1-20.2-175.9-72.1-171.1174.6-161.1-1.8114G1121G1121-R1123 PolarHBondContact O-N 3.37Å
1124I41.8Very low35.6Very low108 Ų108113.6 Ų113.655%0.55464%0.638SS**Hα-helixtrans-76.3-25.7174.4-72.5166.9000111.5G1122 R1128G1122-I1124 VanDerWaalsContact C-N 3.31Å; G1122-I1124 PolarHBondContact O-N 3.34Å; I1124-R1128 HydrophobicContact CG2-CG 4.28Å; I1124-R1128 WeakPolarHBondContact O-CB 3.27Å; I1124-R1128 WeakPolarHBondContact O-CG 3.17Å; I1124-R1128 PolarHBondContact O-N 2.63Å
1125L39.5Very low36.4Very low132 Ų132113.7 Ų113.769%0.69162%0.623SS**Hα-helixtrans-69.9-32178.9-107.3143000112.6G1122 G1129G1122-L1125 WeakPolarHBondContact O-CB 3.35Å; G1122-L1125 PolarHBondContact O-N 3.45Å; L1125-G1129 PolarHBondContact O-N 3.07Å
1126W34.3Very low37Very low204 Ų204115.6 Ų115.677%0.77361%0.611SS**Hα-helixtrans-71.1-42.7178.1-149.870.7000112.4G1129 V1130W1126-G1129 CarbonylContact O-C 3.56Å; W1126-G1129 WeakPolarHBondContact O-CA 3.46Å; W1126-G1129 PolarHBondContact O-N 3.01Å; W1126-V1130 HydrophobicContact CE3-CG2 4.42Å; W1126-V1130 PolarHBondContact O-N 2.7Å
1127I43.2Very low37.6Very low68 Ų68117.2 Ų117.235%0.34960%0.604SS.*Hα-helixtrans-70.6-36.3174.9-67.4172.5000111.7Y365 G1129 V1130 N1131Y365-I1127 WeakPolarHBondContact OH-CD1 3.5Å; I1127-G1129 PolarHBondContact O-N 3.34Å; I1127-V1130 PolarHBondContact O-N 2.89Å; I1127-N1131 PolarHBondContact O-N 2.91Å
1128R39.6Very low38.1Very low182 Ų182113.5 Ų113.569%0.68758%0.581SS**Hα-helixtrans-64.4-25.5167.1-70.5-175.598.9104.54.1112.1I1124 R1132I1124-R1128 HydrophobicContact CG2-CG 4.28Å; I1124-R1128 WeakPolarHBondContact O-CB 3.27Å; I1124-R1128 WeakPolarHBondContact O-CG 3.17Å; I1124-R1128 PolarHBondContact O-N 2.63Å; R1128-R1132 WeakPolarHBondContact O-CB 3.24Å; R1128-R1132 WeakPolarHBondContact O-CG 3.43Å; R1128-R1132 PolarHBondContact O-N 3.32Å
1129G37.8Very low38.7Very low24 Ų24106.5 Ų106.525%0.24756%0.556CS.*Hα-helixtrans-68.1-51.617000000112L1125 W1126 I1127 R1132 I1133L1125-G1129 PolarHBondContact O-N 3.07Å; W1126-G1129 CarbonylContact O-C 3.56Å; W1126-G1129 WeakPolarHBondContact O-CA 3.46Å; W1126-G1129 PolarHBondContact O-N 3.01Å; I1127-G1129 PolarHBondContact O-N 3.34Å; G1129-R1132 CarbonylContact O-C 3.45Å; G1129-R1132 WeakPolarHBondContact O-CA 3.35Å; G1129-R1132 WeakPolarHBondContact O-CB 3.49Å; G1129-R1132 PolarHBondContact O-N 3.47Å; G1129-R1132 VanDerWaalsContact O-N 3.11Å; G1129-I1133 VanDerWaalsContact O-CG1 3.29Å; G1129-I1133 WeakPolarHBondContact O-CG1 3.41Å; G1129-I1133 PolarHBondContact O-N 3.47Å
1130V41.7Very low39.3Very low56 Ų56107.9 Ų107.934%0.33955%0.551SS.*Hα-helixtrans-62.5-45.8178.3178.40000111.5W1126 I1127 R1132 I1133 Q1134W1126-V1130 HydrophobicContact CE3-CG2 4.42Å; W1126-V1130 PolarHBondContact O-N 2.7Å; I1127-V1130 PolarHBondContact O-N 2.89Å; V1130-R1132 VanDerWaalsContact C-N 3.29Å; V1130-R1132 PolarHBondContact O-N 3.39Å; V1130-I1133 WeakPolarHBondContact O-CB 2.82Å; V1130-I1133 PolarHBondContact O-N 3.47Å; V1130-Q1134 PolarHBondContact O-N 3.04Å
1131N37.4Very low39.3Very low97 Ų97104.1 Ų104.152%0.51954%0.538SS..Hα-helixtrans-69-26.4174.4-72.87.3000112.7I1127 T1135I1127-N1131 PolarHBondContact O-N 2.91Å; N1131-T1135 PolarHBondContact O-N 3.31Å; N1131-T1135 PolarHBondContact O-OG1 3.11Å
1132R38.2Very low39.6Very low173 Ų173103.5 Ų103.565%0.65353%0.532SS*.Hα-helixtrans-69.7-36.7167-99.8-174.9160.8178.7-6.7112.2R1128 G1129 V1130 Q1134 T1135 Q1136R1128-R1132 WeakPolarHBondContact O-CB 3.24Å; R1128-R1132 WeakPolarHBondContact O-CG 3.43Å; R1128-R1132 PolarHBondContact O-N 3.32Å; G1129-R1132 CarbonylContact O-C 3.45Å; G1129-R1132 WeakPolarHBondContact O-CA 3.35Å; G1129-R1132 WeakPolarHBondContact O-CB 3.49Å; G1129-R1132 PolarHBondContact O-N 3.47Å; G1129-R1132 VanDerWaalsContact O-N 3.11Å; V1130-R1132 VanDerWaalsContact C-N 3.29Å; V1130-R1132 PolarHBondContact O-N 3.39Å; R1132-Q1134 VanDerWaalsContact C-N 3.32Å; R1132-T1135 WeakPolarHBondContact CA-OG1 3.4Å; R1132-T1135 PolarHBondContact O-N 2.96Å; R1132-T1135 PolarHBondContact O-OG1 3.04Å; R1132-Q1136 WeakPolarHBondContact O-CB 3.29Å; R1132-Q1136 VanDerWaalsContact O-CG 3.31Å; R1132-Q1136 WeakPolarHBondContact O-CG 3.48Å; R1132-Q1136 PolarHBondContact O-N 3.21Å
1133I43.6Very low40Very low94 Ų94106.9 Ų106.948%0.48254%0.536SS..Hα-helixtrans-67.3-38.4176.3-70.7161.3000109.2G1129 V1130 T1135 Q1136 M1137G1129-I1133 VanDerWaalsContact O-CG1 3.29Å; G1129-I1133 WeakPolarHBondContact O-CG1 3.41Å; G1129-I1133 PolarHBondContact O-N 3.47Å; V1130-I1133 WeakPolarHBondContact O-CB 2.82Å; V1130-I1133 PolarHBondContact O-N 3.47Å; I1133-T1135 PolarHBondContact O-N 2.79Å; I1133-Q1136 PolarHBondContact O-N 3.45Å; I1133-M1137 HydrophobicContact CG2-CG 4.09Å; I1133-M1137 HydrophobicContact CG2-SD 3.84Å; I1133-M1137 VanDerWaalsContact O-CB 3.3Å; I1133-M1137 WeakPolarHBondContact O-CB 3.46Å; I1133-M1137 VanDerWaalsContact O-CG 3.28Å; I1133-M1137 WeakPolarHBondContact O-CG 3.36Å; I1133-M1137 PolarHBondContact O-N 3.01Å
1134Q40.3Very low40Very low97 Ų97102.2 Ų102.245%0.45353%0.534SS..Hα-helixtrans-63.3-40.9174.4-147.1172.211.400112.3V1130 R1132 Q1138V1130-Q1134 PolarHBondContact O-N 3.04Å; R1132-Q1134 VanDerWaalsContact C-N 3.32Å; Q1134-Q1138 WeakPolarHBondContact O-CG 3.19Å; Q1134-Q1138 PolarHBondContact O-N 2.94Å
1135T43.3Very low39.8Very low83 Ų83108.2 Ų108.251%0.50955%0.55SS..Hα-helixtrans-75.9-30.5173.332.50000113.8N1131 R1132 I1133 A1139N1131-T1135 PolarHBondContact O-N 3.31Å; N1131-T1135 PolarHBondContact O-OG1 3.11Å; R1132-T1135 WeakPolarHBondContact CA-OG1 3.4Å; R1132-T1135 PolarHBondContact O-N 2.96Å; R1132-T1135 PolarHBondContact O-OG1 3.04Å; I1133-T1135 PolarHBondContact O-N 2.79Å; T1135-A1139 PolarHBondContact O-N 3.48Å; T1135-A1139 VanDerWaalsContact O-N 3.09Å
1136Q39.9Very low39.5Very low116 Ų116113.7 Ų113.754%0.54257%0.568SS.*Hα-helixtrans-79.9-29.3176.5-76.4-169.5-29.800112.9R1132 I1133 Q1138 A1139 V1140R1132-Q1136 WeakPolarHBondContact O-CB 3.29Å; R1132-Q1136 VanDerWaalsContact O-CG 3.31Å; R1132-Q1136 WeakPolarHBondContact O-CG 3.48Å; R1132-Q1136 PolarHBondContact O-N 3.21Å; I1133-Q1136 PolarHBondContact O-N 3.45Å; Q1136-Q1138 VanDerWaalsContact C-N 3.32Å; Q1136-A1139 CarbonylContact O-C 3.5Å; Q1136-A1139 PolarHBondContact O-N 2.99Å; Q1136-V1140 WeakPolarHBondContact O-CB 3.32Å; Q1136-V1140 VanDerWaalsContact O-CG2 3.26Å; Q1136-V1140 WeakPolarHBondContact O-CG2 3.4Å; Q1136-V1140 PolarHBondContact O-N 3.06Å
1137M40.7Very low39.8Very low129 Ų129109.2 Ų109.264%0.63556%0.557SS**Hα-helixtrans-69.5-31.9169.4-73.2-177.877.200111.2I1133 S1141I1133-M1137 HydrophobicContact CG2-CG 4.09Å; I1133-M1137 HydrophobicContact CG2-SD 3.84Å; I1133-M1137 VanDerWaalsContact O-CB 3.3Å; I1133-M1137 WeakPolarHBondContact O-CB 3.46Å; I1133-M1137 VanDerWaalsContact O-CG 3.28Å; I1133-M1137 WeakPolarHBondContact O-CG 3.36Å; I1133-M1137 PolarHBondContact O-N 3.01Å; M1137-S1141 VanDerWaalsContact O-CB 3.31Å; M1137-S1141 WeakPolarHBondContact O-CB 3.37Å; M1137-S1141 PolarHBondContact O-N 3.24Å; M1137-S1141 PolarHBondContact O-OG 2.84Å
1138Q40.9Very low39.6Very low89 Ų89111.3 Ų111.342%0.41657%0.568SS.*Hα-helixtrans-64.7-39.2166.4-73.8-179.8-8.500112Q1134 Q1136 S1141 G1142Q1134-Q1138 WeakPolarHBondContact O-CG 3.19Å; Q1134-Q1138 PolarHBondContact O-N 2.94Å; Q1136-Q1138 VanDerWaalsContact C-N 3.32Å; Q1138-S1141 PolarHBondContact O-OG 3.15Å; Q1138-G1142 PolarHBondContact O-N 3.3Å
1139A40.6Very low39.6Very low56 Ų56107.4 Ų107.446%0.46356%0.562SS.*Hα-helixtrans-68.9-40.3173.900000113.6T1135 Q1136 G1142 L1143T1135-A1139 PolarHBondContact O-N 3.48Å; T1135-A1139 VanDerWaalsContact O-N 3.09Å; Q1136-A1139 CarbonylContact O-C 3.5Å; Q1136-A1139 PolarHBondContact O-N 2.99Å; A1139-G1142 PolarHBondContact O-N 3.01Å; A1139-L1143 PolarHBondContact O-N 3.27Å; A1139-L1143 VanDerWaalsContact O-N 3.11Å
1140V39.6Very low39.7Very low95 Ų95112.3 Ų112.358%0.57658%0.58SS**Hα-helixtrans-73.1-37.8-178.8170.90000111.6Q1136 G1142 L1143 S1144Q1136-V1140 WeakPolarHBondContact O-CB 3.32Å; Q1136-V1140 VanDerWaalsContact O-CG2 3.26Å; Q1136-V1140 WeakPolarHBondContact O-CG2 3.4Å; Q1136-V1140 PolarHBondContact O-N 3.06Å; V1140-G1142 VanDerWaalsContact C-N 3.26Å; V1140-G1142 PolarHBondContact O-N 3.35Å; V1140-L1143 PolarHBondContact O-N 3.14Å; V1140-S1144 PolarHBondContact O-N 3.13Å
1141S39.2Very low39.5Very low73 Ų73115.8 Ų115.851%0.5160%0.595SS.*Hα-helixtrans-67.4-25.5171.654.80000113.1M1137 Q1138M1137-S1141 VanDerWaalsContact O-CB 3.31Å; M1137-S1141 WeakPolarHBondContact O-CB 3.37Å; M1137-S1141 PolarHBondContact O-N 3.24Å; M1137-S1141 PolarHBondContact O-OG 2.84Å; Q1138-S1141 PolarHBondContact O-OG 3.15Å
1142G41Very low39.7Very low44 Ų44117.1 Ų117.145%0.45460%0.601SS.*Hα-helixtrans-73.6-25.3167.400000114.6Q1138 A1139 V1140Q1138-G1142 PolarHBondContact O-N 3.3Å; A1139-G1142 PolarHBondContact O-N 3.01Å; V1140-G1142 VanDerWaalsContact C-N 3.26Å; V1140-G1142 PolarHBondContact O-N 3.35Å
1143L40Very low39.8Very low126 Ų126113.1 Ų113.166%0.6660%0.597SS**Hα-helixtrans-84.1-26176.4-89.2156000113.4A1139 V1140 R1145A1139-L1143 PolarHBondContact O-N 3.27Å; A1139-L1143 VanDerWaalsContact O-N 3.11Å; V1140-L1143 PolarHBondContact O-N 3.14Å; L1143-R1145 VanDerWaalsContact C-N 3.27Å; L1143-R1145 PolarHBondContact O-N 3.16Å
1144S37.7Very low39.5Very low100 Ų100114.5 Ų114.570%0.69961%0.606SS**THydrogen-bonded Turntrans-85.47.5174.2-168.30000114V1140V1140-S1144 PolarHBondContact O-N 3.13Å
1145R36.7Very low39.4Very low235 Ų235116 Ų11689%0.88762%0.618SS**THydrogen-bonded Turntrans-123.520.5174.2-79.8-174.8170.4178.9-1.7112.9L1143L1143-R1145 VanDerWaalsContact C-N 3.27Å; L1143-R1145 PolarHBondContact O-N 3.16Å
1146K33.9Very low39.1Very low246 Ų246119 Ų119100%1.0763%0.628SS**  trans-113.10158.1-79.4-174.4174.4179.80108.7

Retrieved 1,146 of 1,146 residues in 1007.9 ms (Link to these results)

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