A0A096MR63_PAPAN Loading...

RNA binding motif single stranded interacting protein 2

AlphaFold DB (A0A2K5KJA9), UniProt , Accession A0A096MR63, Species PAPAN (Papio anubis, Olive baboon), Gene RBMS2, Length 407 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M42Very low37.4Very low235 Ų235145.2 Ų145.2100%1.15882%0.819SS**  0121.40-65.8170.8176.800108.2
2L36.8Very low36.9Very low165 Ų165142.2 Ų142.286%0.86482%0.815SS**  trans-148.497.8158.8-73.2-179.2000105
3L38.9Very low36.6Very low149 Ų149141.7 Ų141.778%0.7882%0.816SS**  80.176.784-73.6177.2000114.2
4S36.2Very low36.4Very low91 Ų91146.5 Ų146.564%0.63682%0.823SS**  36.5120128.256.70000121.8
5V36.4Very low36.2Very low132 Ų132142 Ų14280%0.882%0.823SS**  25127.8125.3-127.70000116.7
6T36.1Very low36.1Very low137 Ų137146.6 Ų146.684%0.8482%0.824SS**  -168.1178.773.7-58.50000111.9
7S34Very low36Very low97 Ų97144.9 Ų144.968%0.67881%0.813SS**  trans-123165.7-163.3-162.20000114.3
8R36.4Very low35.8Very low225 Ų225149.7 Ų149.785%0.84982%0.816SS**  trans74.3161.6163.8-65.1176.4173.7-103.5-0117.7
9P47.5Very low35.7Very low116 Ų116149.5 Ų149.575%0.75381%0.814SS**  cis-142.6155.5-43.538.6-23000115.9
10G30.6Very low35.9Very low72 Ų72148.6 Ų148.674%0.74281%0.808SS**  trans92.1138.413800000119.9
11I36.7Very low35.8Very low178 Ų178151.4 Ų151.491%0.91381%0.813SS**  -170.4153.2126.8-96.2160.1000107.1
12S31.4Very low35.5Very low109 Ų109149.1 Ų149.176%0.76280%0.797SS**  trans-130.9140.7-168.552.60000113.6
13T32.7Very low36.1Very low136 Ų136146.5 Ų146.583%0.83479%0.79SS**  trans-141.9109.716741.20000111.2
14F33.7Very low35.5Very low209 Ų209150 Ų15092%0.91779%0.794SS**  trans-131.4142.6161-93.9-80.9000108.2
15G34.2Very low35.5Very low79 Ų79151.6 Ų151.681%0.81480%0.8SS**  trans-76.4144.9-171.100000114.8
16Y34Very low35.2Very low216 Ų216150.6 Ų150.685%0.84780%0.798SS**  trans-82.3125.8170.2-86.6-106.9000109.5
17N33.8Very low35.1Very low118 Ų118151.9 Ų151.963%0.63180%0.799SS**  77.5121.575.5-178.9-0.6000113.6N19N17-N19 PolarHBondContact OD1-N 3.24Å
18R33.2Very low35.1Very low231 Ų231151.4 Ų151.487%0.87280%0.802SS**  trans-148.792.5153.9-140.8-175.6-153.1177.27.8113.2
19N34.3Very low35.2Very low145 Ų145149 Ų14978%0.77580%0.8SS**  -177.7143.4114-89.1-22.9000111.6N17N17-N19 PolarHBondContact OD1-N 3.24Å
20N38.5Very low35Very low131 Ų131152.5 Ų152.570%0.70181%0.806SS**  trans-149.6118.8-166.8172.233.2000111.7
21K34.9Very low35.2Very low208 Ų208157.7 Ų157.790%0.90481%0.813SS**  trans-146.1132.7152.3-69.5-164.2178.9-177.80110.2
22K34.6Very low35.7Very low187 Ų187153.6 Ų153.681%0.81381%0.806SS**  trans-128.4-173.4163.6-54.1-177177-178.50106.5
23P49.7Very low36.6Very low111 Ų111154 Ų15472%0.72181%0.806SS**  cis-127.4171-19.535-18.8000113.4
24Y28Very low37.1Very low222 Ų222153.8 Ų153.887%0.87181%0.807SS**  trans-151.9163.6138-151.3-101.4000110.5
25V36.1Very low37.3Very low124 Ų124148.9 Ų148.975%0.75280%0.798SS**  trans-131.8130.1-177.4177.40000109.2
26S28.9Very low37.8Very low111 Ų111151.4 Ų151.478%0.77680%0.801SS**  trans-154.1130.7158-160.60000113.9
27L34.1Very low37.9Very low164 Ų164146.7 Ų146.786%0.85980%0.799SS**  trans-11134155.8-161.370.3000119.1
28A34.9Very low38.3Very low88 Ų88148.7 Ų148.773%0.72781%0.81SS**  trans-150.4159.6159.400000111.1
29Q37.3Very low38.4Very low175 Ų175142.6 Ų142.682%0.81880%0.803SS**  trans-69.2150.4-161.2-89.779.8-22.100118.1
30Q42.7Very low38.7Very low188 Ų188141.5 Ų141.588%0.87980%0.802SS**  trans-56.3135.6161.3176.6-176.338.700113.6
31M36.6Very low39Very low182 Ų182141 Ų14190%0.89781%0.805SS**  trans-141.9159.7164.7-74.3-162.9174.200111.8
32A46.2Very low39.2Very low91 Ų91138 Ų13875%0.75280%0.799SS**PPolyproline II helixtrans-84.7159.7-168.300000114.4
33P49.8Very low39.4Very low118 Ų118134.2 Ų134.277%0.76680%0.796SS**PPolyproline II helixtrans-70.4150.8176.829.6-36.2000113.1
34P44.8Very low39.2Very low131 Ų131134.1 Ų134.185%0.85180%0.798SS**PPolyproline II helixtrans-77143.7-179.331.5-35.2000112.9
35S37.1Very low39.8Very low106 Ų106129.1 Ų129.174%0.74180%0.796SS**PPolyproline II helixtrans-86.8154.6171-67.70000111.7S37S35-S37 PolarHBondContact O-N 3.09Å
36P45.4Very low40.1Very low133 Ų133126.2 Ų126.286%0.86479%0.791SS**PPolyproline II helixtrans-73.1122.9-176.728.8-34.7000112.6
37S35.9Very low41Very low116 Ų116126.5 Ų126.581%0.81179%0.793SS**PPolyproline II helixtrans-79.8121.4174-68.10000111.6S35 S39S35-S37 PolarHBondContact O-N 3.09Å; S37-S39 PolarHBondContact O-N 2.94Å
38N40.3Very low41.4Very low160 Ų160125.1 Ų125.186%0.85679%0.786SS**  trans-79.795.3176.8-171.719.8000111.1T40N38-T40 PolarHBondContact O-N 2.64Å
39S35.4Very low42.3Very low104 Ų104123.3 Ų123.373%0.72778%0.776SS**  trans-80.9103.8-173.454.80000113.2S37 P41S37-S39 PolarHBondContact O-N 2.94Å; S39-P41 WeakPolarHBondContact O-CD 3.38Å
40T41.5Very low43.1Very low122 Ų122119.6 Ų119.675%0.74876%0.762SS**  trans-67.4120.5171.251.50000111.4N38 N42N38-T40 PolarHBondContact O-N 2.64Å; T40-N42 PolarHBondContact O-N 3.19Å
41P44.8Very low43.9Very low120 Ų120115.4 Ų115.478%0.77975%0.745SS**  trans-76.697.3176.230.4-33000110.6S39 S43S39-P41 WeakPolarHBondContact O-CD 3.38Å; P41-S43 PolarHBondContact O-N 3.33Å; P41-S43 VanDerWaalsContact O-N 3.07Å
42N40.2Very low45.1Very low146 Ų146111.4 Ų111.478%0.78173%0.725SS**  trans-69100.3169.1-178.635000109.4T40 S44T40-N42 PolarHBondContact O-N 3.19Å; N42-S44 VanDerWaalsContact C-N 3.32Å; N42-S44 PolarHBondContact O-N 3.25Å
43S37.6Very low46.1Very low107 Ų107108.6 Ų108.675%0.74870%0.697SS**  trans-81.667.2-167.546.80000113.8P41 S45P41-S43 PolarHBondContact O-N 3.33Å; P41-S43 VanDerWaalsContact O-N 3.07Å; S43-S45 PolarHBondContact O-N 3.02Å
44S45.2Very low47.1Very low108 Ų108105 Ų10576%0.75568%0.675SS**  trans-69.274165.759.50000110.9N42 G46N42-S44 VanDerWaalsContact C-N 3.32Å; N42-S44 PolarHBondContact O-N 3.25Å; S44-G46 PolarHBondContact O-N 2.83Å
45S40.9Very low49Very low118 Ų118104.3 Ų104.383%0.82566%0.658SS**  trans-73.294.3-173.2-168.80000112.2S43S43-S45 PolarHBondContact O-N 3.02Å
46G42.2Very low51.5Low63 Ų6399.5 Ų99.565%0.64962%0.624SS**  trans-93119.9170.100000112S44S44-G46 PolarHBondContact O-N 2.83Å
47S47.9Very low53.8Low116 Ų11694.7 Ų94.781%0.81159%0.591SS**SBendtrans45.673.5152.5-59.80000118.9
48N42.7Very low56.5Low136 Ų13689.1 Ų89.173%0.72755%0.553SS**  trans-134.461.1144-96.1-36.9000109.6N50N48-N50 PolarHBondContact O-N 2.84Å; N48-N50 VanDerWaalsContact O-N 3.13Å
49G54.3Low59.1Low50 Ų5083.7 Ų83.752%0.51552%0.52SS..THydrogen-bonded Turntrans-75.45.9-166.200000116.5L53G49-L53 VanDerWaalsContact O-CD1 3.27Å; G49-L53 WeakPolarHBondContact O-CD1 3.12Å; G49-L53 WeakPolarHBondContact O-CG 3.03Å
50N54.3Low61.8Low96 Ų9678.7 Ų78.751%0.51349%0.486SS..THydrogen-bonded Turntrans-95.9-69.5176.9-131.220.3000110N48 Q52 L53 Q129N48-N50 PolarHBondContact O-N 2.84Å; N48-N50 VanDerWaalsContact O-N 3.13Å; N50-Q52 PolarHBondContact O-N 3.21Å; N50-L53 WeakPolarHBondContact O-CB 3.4Å; N50-L53 PolarHBondContact O-N 3.25Å; N50-Q129 VanDerWaalsContact C-NE2 3.26Å; N50-Q129 PolarHBondContact O-NE2 3.48Å; N50-Q129 PolarHBondContact O-OE1 2.93Å; N50-Q129 VanDerWaalsContact O-OE1 3.13Å; N50-Q129 PolarHBondContact OD1-NE2 3.36Å
51D59.1Low64.3Low100 Ų10079.7 Ų79.754%0.53548%0.476SS..THydrogen-bonded Turntrans-61.6-18.1-173-58.4-101.5000115.6S54 K55D51-S54 PolarHBondContact O-OG 3.44Å; D51-K55 WeakPolarHBondContact O-CD 3.45Å; D51-K55 PolarHBondContact O-NZ 3.3Å
52Q61.5Low66.4Low98 Ų9876.9 Ų76.946%0.45847%0.469SS..THydrogen-bonded Turntrans-70-37.7172.9-164.466.551.400111.1N50 K55 T56N50-Q52 PolarHBondContact O-N 3.21Å; Q52-K55 CarbonylContact O-C 3.53Å; Q52-K55 WeakPolarHBondContact O-CA 3.29Å; Q52-K55 WeakPolarHBondContact O-CB 3.49Å; Q52-K55 PolarHBondContact O-N 3.27Å; Q52-T56 HydrophobicContact CG-CG2 4.17Å; Q52-T56 PolarHBondContact O-N 3.12Å; Q52-T56 PolarHBondContact O-OG1 3.33Å; Q52-T56 VanDerWaalsContact O-OG1 3.11Å
53L67.6Low68.8Low33 Ų3370.9 Ų70.917%0.17344%0.436CS..Hα-helixtrans-66-42.7-171.2-70.2173.1000113G49 N50 K55 T56 N57 D103G49-L53 VanDerWaalsContact O-CD1 3.27Å; G49-L53 WeakPolarHBondContact O-CD1 3.12Å; G49-L53 WeakPolarHBondContact O-CG 3.03Å; N50-L53 WeakPolarHBondContact O-CB 3.4Å; N50-L53 PolarHBondContact O-N 3.25Å; L53-K55 PolarHBondContact O-N 2.86Å; L53-T56 PolarHBondContact O-N 3.32Å; L53-N57 WeakPolarHBondContact O-CA 3.35Å; L53-N57 WeakPolarHBondContact O-CB 3.45Å; L53-N57 PolarHBondContact O-N 2.95Å; L53-D103 WeakPolarHBondContact CD2-OD2 3.26Å
54S71.2Confident71.2Confident43 Ų4372.4 Ų72.430%0.30143%0.431SS..Hα-helixtrans-59.4-17.5174.552.50000113.8D51 Q129D51-S54 PolarHBondContact O-OG 3.44Å; S54-Q129 PolarHBondContact OG-OE1 3.35Å
55K83.5Confident73.2Confident115 Ų11570.8 Ų70.850%0.542%0.419SS..Hα-helixtrans-104-18.2-178.2-60.6165.1-169.8155.40113.2D51 Q52 L53 P107 M126D51-K55 WeakPolarHBondContact O-CD 3.45Å; D51-K55 PolarHBondContact O-NZ 3.3Å; Q52-K55 CarbonylContact O-C 3.53Å; Q52-K55 WeakPolarHBondContact O-CA 3.29Å; Q52-K55 WeakPolarHBondContact O-CB 3.49Å; Q52-K55 PolarHBondContact O-N 3.27Å; L53-K55 PolarHBondContact O-N 2.86Å; K55-P107 HydrophobicContact CB-CB 4.26Å; K55-P107 VanDerWaalsContact O-CA 3.32Å; K55-P107 WeakPolarHBondContact O-CA 3.39Å; K55-P107 VanDerWaalsContact O-CB 3.24Å; K55-P107 WeakPolarHBondContact O-CB 3.3Å; K55-M126 VanDerWaalsContact C-CE 3.41Å; K55-M126 VanDerWaalsContact O-CE 3.22Å; K55-M126 WeakPolarHBondContact O-CE 3.48Å
56T90.8Very high75.4Confident5 Ų568.1 Ų68.13%0.03141%0.41CS..Hα-helixtrans-115.6-22.6-179.556.20000114.8Q52 L53 D103 F104 P107 A110Q52-T56 HydrophobicContact CG-CG2 4.17Å; Q52-T56 PolarHBondContact O-N 3.12Å; Q52-T56 PolarHBondContact O-OG1 3.33Å; Q52-T56 VanDerWaalsContact O-OG1 3.11Å; L53-T56 PolarHBondContact O-N 3.32Å; T56-D103 WeakPolarHBondContact CB-OD1 3.39Å; T56-D103 PolarHBondContact OG1-OD1 3.04Å; T56-F104 VanDerWaalsContact CB-O 3.27Å; T56-F104 WeakPolarHBondContact CB-O 3.39Å; T56-F104 PolarHBondContact O-N 3.01Å; T56-P107 HydrophobicContact CG2-CB 4.46Å; T56-A110 WeakPolarHBondContact O-CB 3.41Å
57N92.8Very high77.6Confident32 Ų3266.3 Ų66.317%0.17139%0.386CS..EExtended strand (participates in β ladder)trans-92.5140.7-175.7-166.4-5.2000111.1L53 V102 D103 M126 A127L53-N57 WeakPolarHBondContact O-CA 3.35Å; L53-N57 WeakPolarHBondContact O-CB 3.45Å; L53-N57 PolarHBondContact O-N 2.95Å; N57-V102 CarbonylContact C-O 3.49Å; N57-V102 WeakPolarHBondContact CA-O 3.48Å; N57-V102 PolarHBondContact OD1-O 2.74Å; N57-D103 HydrophobicContact CB-CB 4.47Å; N57-M126 WeakPolarHBondContact O-CE 3.5Å; N57-A127 HydrophobicContact CB-CB 4.02Å; N57-A127 WeakPolarHBondContact O-CB 3Å; N57-A127 PolarHBondContact O-N 3.36Å
58L93.4Very high79.7Confident0 Ų063.9 Ų63.90%037%0.366CS..EExtended strand (participates in β ladder)trans-116.1140.1-177.2-59.5176.7000110.2I60 F101 V102 F104 A110 A113 V114 Q125 M126L58-I60 HydrophobicContact CB-CG1 4.42Å; L58-F101 WeakPolarHBondContact O-CA 3.44Å; L58-V102 HydrophobicContact CB-CB 4.42Å; L58-V102 WeakPolarHBondContact CB-O 3.46Å; L58-V102 PolarHBondContact N-O 2.79Å; L58-V102 PolarHBondContact O-N 3.03Å; L58-V102 VanDerWaalsContact O-N 3.09Å; L58-F104 HydrophobicContact CD1-CD2 3.76Å; L58-F104 HydrophobicContact CD1-CE2 3.47Å; L58-F104 VanDerWaalsContact CD1-CE2 3.47Å; L58-F104 HydrophobicContact CG-CD2 4.36Å; L58-F104 HydrophobicContact CG-CE2 4.5Å; L58-A110 HydrophobicContact CD2-CB 4.05Å; L58-A110 HydrophobicContact CG-CB 4.38Å; L58-A113 HydrophobicContact CD1-CB 3.7Å; L58-V114 HydrophobicContact CD2-CG2 3.4Å; L58-Q125 CarbonylContact C-O 3.55Å; L58-Q125 WeakPolarHBondContact CA-O 3.5Å; L58-M126 HydrophobicContact CD2-CE 4.18Å; L58-M126 HydrophobicContact CD2-SD 3.62Å
59Y93.4Very high82.1Confident45 Ų4561 Ų6118%0.17635%0.351CS..EExtended strand (participates in β ladder)trans-101.3123.2165.4173.7-97.5000108.4R61 Y99 F101 A124 Q125Y59-R61 HydrophobicContact CE1-CB 3.84Å; Y59-Y99 HydrophobicContact CD2-CD2 4.47Å; Y59-Y99 AromaticContact CE2-CD2 3.58Å; Y59-Y99 HydrophobicContact CE2-CD2 3.58Å; Y59-Y99 HydrophobicContact CE2-CE2 4.36Å; Y59-Y99 HydrophobicContact CE2-CG 4Å; Y59-F101 HydrophobicContact CD2-CD1 4.41Å; Y59-F101 AromaticContact CD2-CE1 3.76Å; Y59-F101 HydrophobicContact CD2-CE1 3.76Å; Y59-F101 AromaticContact CD2-CZ 3.83Å; Y59-F101 HydrophobicContact CD2-CZ 3.83Å; Y59-F101 HydrophobicContact CE2-CZ 4.37Å; Y59-A124 WeakPolarHBondContact O-CA 3.37Å; Y59-Q125 HydrophobicContact CD1-CG 3.97Å; Y59-Q125 PolarHBondContact N-O 3.04Å; Y59-Q125 PolarHBondContact O-N 3.26Å
60I93.6Very high83.9Confident0 Ų064.3 Ų64.30%035%0.353CS..EExtended strand (participates in β ladder)trans-118.7127-179.6-51.4179.2000108.6L58 L63 L72 Y99 G100 V102 L117 V122 A124L58-I60 HydrophobicContact CB-CG1 4.42Å; I60-L63 HydrophobicContact CB-CD2 4.49Å; I60-L63 HydrophobicContact CG2-CD2 3.73Å; I60-L72 HydrophobicContact CD1-CD2 4.23Å; I60-Y99 CarbonylContact O-C 3.53Å; I60-Y99 WeakPolarHBondContact O-CA 3.34Å; I60-Y99 WeakPolarHBondContact O-CB 3.49Å; I60-G100 PolarHBondContact N-O 2.98Å; I60-G100 PolarHBondContact O-N 3.27Å; I60-V102 HydrophobicContact CD1-CB 4.45Å; I60-V102 HydrophobicContact CD1-CG2 3.79Å; I60-L117 HydrophobicContact CD1-CD1 3.93Å; I60-V122 HydrophobicContact CG2-CG1 3.49Å; I60-V122 VanDerWaalsContact CG2-CG1 3.49Å; I60-A124 HydrophobicContact CG1-CB 4.22Å
61R93.1Very high85.7Confident143 Ų14362.2 Ų62.254%0.5434%0.342SS..EExtended strand (participates in β ladder)trans-121160.8179.2-173.7173.5-178155.4-0.6110.7Y59 G98 Q123Y59-R61 HydrophobicContact CE1-CB 3.84Å; R61-G98 CarbonylContact C-O 3.5Å; R61-G98 WeakPolarHBondContact CA-O 3.21Å; R61-Q123 HydrophobicContact CB-CB 4.05Å; R61-Q123 PolarHBondContact N-O 2.89Å; R61-Q123 WeakPolarHBondContact O-CB 3.19Å; R61-Q123 PolarHBondContact O-N 3.36Å
62G88.7Confident87.3Confident61 Ų6157.5 Ų57.563%0.62932%0.316SS*.SBendtrans83.820.5-175.800000113G98G62-G98 PolarHBondContact N-O 2.79Å
63L90.5Very high88.8Confident20 Ų2055.2 Ų55.211%0.10531%0.309CS..  trans-69.2153.2174.8-54.3-178.7000110.7I60 T67 L72 G98 Y99I60-L63 HydrophobicContact CB-CD2 4.49Å; I60-L63 HydrophobicContact CG2-CD2 3.73Å; L63-T67 HydrophobicContact CB-CG2 4.16Å; L63-T67 HydrophobicContact CD1-CG2 4.13Å; L63-T67 HydrophobicContact CD2-CG2 4.32Å; L63-T67 HydrophobicContact CG-CG2 4.44Å; L63-L72 HydrophobicContact CD1-CD1 4.41Å; L63-L72 HydrophobicContact CD1-CD2 3.84Å; L63-L72 HydrophobicContact CD1-CG 4.47Å; L63-L72 HydrophobicContact CD2-CD2 3.94Å; L63-G98 PolarHBondContact N-O 3.18Å; L63-G98 VanDerWaalsContact N-O 3.09Å; L63-G98 WeakPolarHBondContact O-CA 3.4Å; L63-Y99 VanDerWaalsContact CD1-C 3.46Å
64Q88.6Confident90Very high138 Ų13859.3 Ų59.365%0.64533%0.326SS*.  trans-73.3152.4175.5-70.6-67.6-12.400110.7G66 T67 C96Q64-G66 PolarHBondContact O-N 3.02Å; Q64-T67 PolarHBondContact N-OG1 3.01Å; Q64-T67 VanDerWaalsContact N-OG1 3.09Å; Q64-T67 WeakPolarHBondContact O-CB 3.31Å; Q64-T67 PolarHBondContact O-N 2.86Å; Q64-T67 PolarHBondContact O-OG1 3.29Å; Q64-C96 WeakPolarHBondContact O-CB 3.35Å
65P86.5Confident91Very high75 Ų7560 Ų6049%0.48733%0.326SS..THydrogen-bonded Turntrans-59.1-20.3178.3-26.235.6000114.6C96P65-C96 PolarHBondContact O-N 2.94Å
66G86.7Confident91.4Very high62 Ų6254.5 Ų54.564%0.63930%0.302SS*.THydrogen-bonded Turntrans-95.1-0.1173.900000115.6Q64 T68Q64-G66 PolarHBondContact O-N 3.02Å; G66-T68 PolarHBondContact O-N 3.05Å
67T89.4Confident91.4Very high24 Ų2460.2 Ų60.215%0.14733%0.328CS..  trans-66.1123.2-177.7-63.60000111.4L63 Q64 D71 L72L63-T67 HydrophobicContact CB-CG2 4.16Å; L63-T67 HydrophobicContact CD1-CG2 4.13Å; L63-T67 HydrophobicContact CD2-CG2 4.32Å; L63-T67 HydrophobicContact CG-CG2 4.44Å; Q64-T67 PolarHBondContact N-OG1 3.01Å; Q64-T67 VanDerWaalsContact N-OG1 3.09Å; Q64-T67 WeakPolarHBondContact O-CB 3.31Å; Q64-T67 PolarHBondContact O-N 2.86Å; Q64-T67 PolarHBondContact O-OG1 3.29Å; T67-D71 HydrophobicContact CG2-CB 4.08Å; T67-L72 HydrophobicContact CG2-CG 4.33Å
68T92.3Very high91.5Very high65 Ų6562.9 Ų62.940%0.39935%0.347SS..  trans-101.5172.9178.371.20000112.5G66 Q70 D71 L72G66-T68 PolarHBondContact O-N 3.05Å; T68-Q70 PolarHBondContact O-N 3.02Å; T68-Q70 PolarHBondContact OG1-N 3.41Å; T68-D71 WeakPolarHBondContact CB-OD2 3.38Å; T68-D71 PolarHBondContact N-OD2 3.31Å; T68-D71 PolarHBondContact O-N 2.91Å; T68-D71 VanDerWaalsContact O-N 3.08Å; T68-D71 PolarHBondContact OG1-OD2 2.79Å; T68-L72 PolarHBondContact O-N 3.26Å
69D91.9Very high91.4Very high77 Ų7765.2 Ų65.241%0.41236%0.356SS..Hα-helixtrans-54.2-39.5171.1-59.7-37.8000112.3D71 L72 V73 T85 K86 A87D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 2.73Å; D69-L72 WeakPolarHBondContact O-CB 3.44Å; D69-L72 PolarHBondContact O-N 2.9Å; D69-V73 WeakPolarHBondContact O-CG2 3.3Å; D69-V73 PolarHBondContact O-N 3.45Å; D69-T85 PolarHBondContact O-OG1 3.4Å; D69-K86 VanDerWaalsContact OD1-CA 3.26Å; D69-K86 WeakPolarHBondContact OD1-CA 3.38Å; D69-A87 PolarHBondContact OD1-N 2.82Å
70Q93Very high91.3Very high119 Ų11964.3 Ų64.356%0.55636%0.361SS*.Hα-helixtrans-65.6-30.9178.2-66.2-165.88.800112.7T68 V73 K74T68-Q70 PolarHBondContact O-N 3.02Å; T68-Q70 PolarHBondContact OG1-N 3.41Å; Q70-V73 WeakPolarHBondContact O-CB 3.22Å; Q70-V73 PolarHBondContact O-N 3.48Å; Q70-K74 VanDerWaalsContact O-CG 3.27Å; Q70-K74 WeakPolarHBondContact O-CG 3.38Å; Q70-K74 PolarHBondContact O-N 2.97Å
71D92.5Very high91.3Very high52 Ų5270.7 Ų70.728%0.27839%0.388SS..Hα-helixtrans-78-32.6-179.7-51.8-51000110.9T67 T68 D69 V73 K74 L75T67-D71 HydrophobicContact CG2-CB 4.08Å; T68-D71 WeakPolarHBondContact CB-OD2 3.38Å; T68-D71 PolarHBondContact N-OD2 3.31Å; T68-D71 PolarHBondContact O-N 2.91Å; T68-D71 VanDerWaalsContact O-N 3.08Å; T68-D71 PolarHBondContact OG1-OD2 2.79Å; D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 2.73Å; D71-V73 VanDerWaalsContact C-N 3.35Å; D71-K74 PolarHBondContact O-N 2.64Å; D71-K74 IonicContact OD1-NZ 2.66Å; D71-K74 PolarHBondContact OD1-NZ 3.09Å; D71-L75 WeakPolarHBondContact O-CB 3.21Å; D71-L75 PolarHBondContact O-N 2.95Å
72L92.4Very high91.3Very high0 Ų065.7 Ų65.70%037%0.372CS..Hα-helixtrans-63.1-39.2166.3-69.8172.5000112I60 L63 T67 T68 D69 C76 T85 A87 V102I60-L72 HydrophobicContact CD1-CD2 4.23Å; L63-L72 HydrophobicContact CD1-CD1 4.41Å; L63-L72 HydrophobicContact CD1-CD2 3.84Å; L63-L72 HydrophobicContact CD1-CG 4.47Å; L63-L72 HydrophobicContact CD2-CD2 3.94Å; T67-L72 HydrophobicContact CG2-CG 4.33Å; T68-L72 PolarHBondContact O-N 3.26Å; D69-L72 WeakPolarHBondContact O-CB 3.44Å; D69-L72 PolarHBondContact O-N 2.9Å; L72-C76 VanDerWaalsContact O-CB 3.28Å; L72-C76 WeakPolarHBondContact O-CB 3.47Å; L72-C76 PolarHBondContact O-N 2.98Å; L72-C76 PolarHBondContact O-SG 2.91Å; L72-C76 VanDerWaalsContact O-SG 3.38Å; L72-T85 HydrophobicContact CB-CG2 4.07Å; L72-A87 HydrophobicContact CD1-CB 3.95Å; L72-V102 HydrophobicContact CB-CG2 4.08Å; L72-V102 HydrophobicContact CD2-CG2 4.31Å
73V93.6Very high91.5Very high51 Ų5165.6 Ų65.631%0.30936%0.359SS..Hα-helixtrans-60.2-56.4172.2173.40000110.2D69 Q70 D71 L75 C76 Q77 I82 T85D69-V73 WeakPolarHBondContact O-CG2 3.3Å; D69-V73 PolarHBondContact O-N 3.45Å; Q70-V73 WeakPolarHBondContact O-CB 3.22Å; Q70-V73 PolarHBondContact O-N 3.48Å; D71-V73 VanDerWaalsContact C-N 3.35Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.78Å; V73-C76 PolarHBondContact O-N 3.47Å; V73-C76 VanDerWaalsContact O-N 3.11Å; V73-Q77 WeakPolarHBondContact O-CB 3.44Å; V73-Q77 PolarHBondContact O-N 3.11Å; V73-I82 HydrophobicContact CG1-CD1 4.38Å; V73-T85 HydrophobicContact CB-CG2 4.5Å; V73-T85 HydrophobicContact CG2-CG2 3.52Å
74K92.8Very high91.5Very high118 Ų11867.4 Ų67.451%0.51337%0.373SS..Hα-helixtrans-53.8-44-179.7-66.4162.4-155.3162.80112.2Q70 D71Q70-K74 VanDerWaalsContact O-CG 3.27Å; Q70-K74 WeakPolarHBondContact O-CG 3.38Å; Q70-K74 PolarHBondContact O-N 2.97Å; D71-K74 PolarHBondContact O-N 2.64Å; D71-K74 IonicContact OD1-NZ 2.66Å; D71-K74 PolarHBondContact OD1-NZ 3.09Å
75L90.9Very high91.7Very high58 Ų5862.1 Ų62.130%0.30435%0.35SS..Hα-helixtrans-66.8-35.7-179.4179.861.4000113D71 V73 Y79 L117D71-L75 WeakPolarHBondContact O-CB 3.21Å; D71-L75 PolarHBondContact O-N 2.95Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.78Å; L75-Y79 VanDerWaalsContact O-CE2 3.32Å; L75-Y79 WeakPolarHBondContact O-CE2 3.47Å; L75-L117 HydrophobicContact CD1-CD2 3.74Å; L75-L117 HydrophobicContact CD2-CD2 4.11Å; L75-L117 HydrophobicContact CG-CD2 3.71Å
76C91.8Very high92Very high0 Ų064.6 Ų64.60%035%0.354CS..Hα-helixtrans-100-21.8-172.5-65.20000114.3L72 V73 Y79 I82 V102 F104L72-C76 VanDerWaalsContact O-CB 3.28Å; L72-C76 WeakPolarHBondContact O-CB 3.47Å; L72-C76 PolarHBondContact O-N 2.98Å; L72-C76 PolarHBondContact O-SG 2.91Å; L72-C76 VanDerWaalsContact O-SG 3.38Å; V73-C76 PolarHBondContact O-N 3.47Å; V73-C76 VanDerWaalsContact O-N 3.11Å; C76-Y79 WeakPolarHBondContact O-CD2 3.24Å; C76-Y79 PolarHBondContact O-N 2.81Å; C76-I82 HydrophobicContact CB-CD1 3.66Å; C76-I82 HydrophobicContact CB-CG1 4.41Å; C76-V102 HydrophobicContact CB-CG1 3.96Å; C76-F104 HydrophobicContact CB-CE2 4.14Å; C76-F104 HydrophobicContact CB-CZ 3.83Å; C76-F104 WeakPolarHBondContact O-CZ 3.35Å
77Q92.5Very high92.3Very high125 Ų12562 Ų6258%0.58433%0.326SS*.G310 helixtrans-50.7-39.7-179.9-179174-3.200115.5V73 Y79 G80V73-Q77 WeakPolarHBondContact O-CB 3.44Å; V73-Q77 PolarHBondContact O-N 3.11Å; Q77-Y79 PolarHBondContact O-N 3.26Å; Q77-Y79 VanDerWaalsContact O-N 3.15Å; Q77-G80 PolarHBondContact O-N 2.84Å
78P93.4Very high92.4Very high87 Ų8762.5 Ų62.557%0.56533%0.328SS*.G310 helixtrans-67.8-11.217926.2-35.7000114.5
79Y92.1Very high92.4Very high49 Ų4963.7 Ų63.719%0.19233%0.331CS..G310 helixtrans-93.5-18.9-180-49.9-53.8000113.4L75 C76 Q77 A113 A116 L117L75-Y79 VanDerWaalsContact O-CE2 3.32Å; L75-Y79 WeakPolarHBondContact O-CE2 3.47Å; C76-Y79 WeakPolarHBondContact O-CD2 3.24Å; C76-Y79 PolarHBondContact O-N 2.81Å; Q77-Y79 PolarHBondContact O-N 3.26Å; Q77-Y79 VanDerWaalsContact O-N 3.15Å; Y79-A113 HydrophobicContact CD2-CB 3.78Å; Y79-A113 HydrophobicContact CG-CB 3.97Å; Y79-A116 HydrophobicContact CD1-CB 3.82Å; Y79-A116 HydrophobicContact CE1-CB 3.27Å; Y79-A116 HydrophobicContact CE2-CB 4.42Å; Y79-L117 HydrophobicContact CE2-CD2 3.81Å; Y79-L117 HydrophobicContact CE2-CG 3.88Å
80G91.4Very high92.2Very high26 Ų2662.3 Ų62.327%0.26832%0.323SS..SBendtrans158.9-177.1176.200000113.9Q77 I82 F104Q77-G80 PolarHBondContact O-N 2.84Å; G80-I82 PolarHBondContact O-N 3.12Å; G80-F104 WeakPolarHBondContact O-CE1 3.33Å
81K93.3Very high92Very high134 Ų13465.9 Ų65.958%0.58334%0.337SS*.  trans-70.2127.5177.6178-178.1155-149.80110.7F104 D105K81-F104 VanDerWaalsContact O-CD1 3.31Å; K81-F104 WeakPolarHBondContact O-CD1 3.41Å; K81-D105 HydrophobicContact CB-CB 3.91Å; K81-D105 HydrophobicContact CD-CB 3.91Å; K81-D105 WeakPolarHBondContact CD-OD2 3.48Å; K81-D105 VanDerWaalsContact CE-CG 3.42Å; K81-D105 VanDerWaalsContact CE-OD1 3.27Å; K81-D105 WeakPolarHBondContact CE-OD1 3.15Å; K81-D105 WeakPolarHBondContact CE-OD2 3.22Å; K81-D105 HydrophobicContact CG-CB 3.87Å; K81-D105 IonicContact NZ-OD1 3.7Å; K81-D105 PolarHBondContact NZ-OD1 2.83Å; K81-D105 IonicContact NZ-OD2 2.78Å; K81-D105 PolarHBondContact NZ-OD2 3.27Å; K81-D105 WeakPolarHBondContact O-CB 3.45Å; K81-D105 PolarHBondContact O-N 3.5Å
82I93.8Very high91.9Very high39 Ų3969 Ų6920%0.236%0.358CS..EExtended strand (participates in β ladder)trans-94.8137177.5-61.4168.1000109.3V73 C76 G80 S84 T85 V102 F104V73-I82 HydrophobicContact CG1-CD1 4.38Å; C76-I82 HydrophobicContact CB-CD1 3.66Å; C76-I82 HydrophobicContact CB-CG1 4.41Å; G80-I82 PolarHBondContact O-N 3.12Å; I82-S84 WeakPolarHBondContact CG2-O 3.46Å; I82-T85 HydrophobicContact CG2-CG2 3.82Å; I82-V102 HydrophobicContact CD1-CG1 4.3Å; I82-V102 HydrophobicContact CG1-CG1 4.22Å; I82-V102 HydrophobicContact CG2-CG1 4.06Å; I82-F104 HydrophobicContact CG1-CD1 4.41Å; I82-F104 HydrophobicContact CG1-CE1 4.03Å; I82-F104 HydrophobicContact CG1-CZ 4.13Å
83V92.5Very high91.7Very high59 Ų5972.9 Ų72.936%0.35838%0.382SS..EExtended strand (participates in β ladder)trans-92.6-38.6173.4172.90000111D103 D105V83-D103 PolarHBondContact N-O 2.79Å; V83-D105 HydrophobicContact CG2-CB 3.95Å
84S89.6Confident91.4Very high57 Ų5775.9 Ų75.940%0.39940%0.396SS..EExtended strand (participates in β ladder)trans-156.2151.2-179.5-169.40000112I82 D103I82-S84 WeakPolarHBondContact CG2-O 3.46Å; S84-D103 PolarHBondContact N-O 3.33Å; S84-D103 PolarHBondContact O-N 3.37Å
85T93.3Very high91.3Very high27 Ų2776.5 Ų76.517%0.16640%0.399CS..EExtended strand (participates in β ladder)trans-128.1154.3165.756.60000110D69 L72 V73 I82 F101 V102D69-T85 PolarHBondContact O-OG1 3.4Å; L72-T85 HydrophobicContact CB-CG2 4.07Å; V73-T85 HydrophobicContact CB-CG2 4.5Å; V73-T85 HydrophobicContact CG2-CG2 3.52Å; I82-T85 HydrophobicContact CG2-CG2 3.82Å; T85-F101 CarbonylContact C-O 3.55Å; T85-F101 WeakPolarHBondContact CA-O 3.26Å; T85-V102 HydrophobicContact CG2-CG1 4.18Å; T85-V102 HydrophobicContact CG2-CG2 4.07Å
86K92.8Very high91.2Very high128 Ų12874.2 Ų74.256%0.55739%0.387SS*.EExtended strand (participates in β ladder)trans-157.299.5172.8-163.8-178.5-177.3177.80112.5D69 I88 G100 F101D69-K86 VanDerWaalsContact OD1-CA 3.26Å; D69-K86 WeakPolarHBondContact OD1-CA 3.38Å; K86-I88 HydrophobicContact CD-CD1 3.97Å; K86-I88 HydrophobicContact CG-CD1 4.07Å; K86-G100 CarbonylContact O-C 3.54Å; K86-G100 WeakPolarHBondContact O-CA 3.38Å; K86-F101 PolarHBondContact N-O 3.01Å; K86-F101 PolarHBondContact O-N 2.88Å
87A92.8Very high91.1Very high7 Ų779.4 Ų79.46%0.05841%0.41CS..EExtended strand (participates in β ladder)trans-64134.9161.500000109D69 L72 L89D69-A87 PolarHBondContact OD1-N 2.82Å; L72-A87 HydrophobicContact CD1-CB 3.95Å; A87-L89 HydrophobicContact CB-CD2 4.49Å; A87-L89 PolarHBondContact O-N 2.72Å
88I92.2Very high91.1Very high35 Ų3574.3 Ų74.318%0.17939%0.391CS..EExtended strand (participates in β ladder)trans-91.3102.3176.4-55.9-55.9000108.6K86 K97 Y99 F101K86-I88 HydrophobicContact CD-CD1 3.97Å; K86-I88 HydrophobicContact CG-CD1 4.07Å; I88-K97 HydrophobicContact CG2-CD 3.95Å; I88-K97 WeakPolarHBondContact O-CB 3.25Å; I88-K97 WeakPolarHBondContact O-CG 3.42Å; I88-K97 PolarHBondContact O-N 2.97Å; I88-Y99 HydrophobicContact CB-CD2 4.03Å; I88-Y99 HydrophobicContact CB-CE2 3.69Å; I88-Y99 HydrophobicContact CG1-CD2 3.83Å; I88-Y99 HydrophobicContact CG1-CE2 3.56Å; I88-Y99 HydrophobicContact CG2-CE2 3.93Å; I88-Y99 PolarHBondContact N-O 2.73Å; I88-F101 HydrophobicContact CD1-CD2 3.91Å; I88-F101 HydrophobicContact CD1-CE2 3.98Å; I88-F101 HydrophobicContact CG1-CD2 3.93Å; I88-F101 HydrophobicContact CG1-CE2 3.78Å
89L91.5Very high91.1Very high89 Ų8973 Ų7347%0.46638%0.375SS..EExtended strand (participates in β ladder)trans-76.9147.5173.1-51.2-175.5000111.1A87 K95 C96A87-L89 HydrophobicContact CB-CD2 4.49Å; A87-L89 PolarHBondContact O-N 2.72Å; L89-K95 CarbonylContact C-O 3.54Å; L89-K95 VanDerWaalsContact CA-O 3.32Å; L89-K95 WeakPolarHBondContact CA-O 3.38Å; L89-C96 HydrophobicContact CD2-CB 4.2Å
90D88.9Confident91.1Very high48 Ų4870.6 Ų70.626%0.25737%0.366SS..  trans-75.9140.8165.7172.537000110.2T92 T93 N94 K95 K97D90-T92 PolarHBondContact OD2-OG1 2.93Å; D90-T93 WeakPolarHBondContact CB-OG1 3.21Å; D90-T93 WeakPolarHBondContact OD2-CB 3.42Å; D90-T93 WeakPolarHBondContact OD2-CG2 3.37Å; D90-T93 PolarHBondContact OD2-N 3.07Å; D90-T93 VanDerWaalsContact OD2-N 3.09Å; D90-T93 PolarHBondContact OD2-OG1 3.42Å; D90-N94 WeakPolarHBondContact O-CA 3.17Å; D90-N94 PolarHBondContact O-N 2.96Å; D90-K95 PolarHBondContact N-O 3.32Å; D90-K97 HydrophobicContact CB-CD 4.37Å; D90-K97 HydrophobicContact CB-CG 3.82Å
91K88.3Confident91.3Very high195 Ų19572.3 Ų72.385%0.84837%0.366SS*.THydrogen-bonded Turntrans-78-26.8-173.3-73.3-171.2175.5-174.90113.7
92T90Very high91.3Very high118 Ų11866 Ų6672%0.72434%0.338SS*.THydrogen-bonded Turntrans-86.6-49.1-179.754.50000110.4D90D90-T92 PolarHBondContact OD2-OG1 2.93Å
93T89Confident91.3Very high80 Ų8064.7 Ų64.749%0.49133%0.332SS..THydrogen-bonded Turntrans-87-15.2-177.763.90000114.8D90 K95D90-T93 WeakPolarHBondContact CB-OG1 3.21Å; D90-T93 WeakPolarHBondContact OD2-CB 3.42Å; D90-T93 WeakPolarHBondContact OD2-CG2 3.37Å; D90-T93 PolarHBondContact OD2-N 3.07Å; D90-T93 VanDerWaalsContact OD2-N 3.09Å; D90-T93 PolarHBondContact OD2-OG1 3.42Å; T93-K95 PolarHBondContact O-N 2.84Å; T93-K95 VanDerWaalsContact O-N 3.11Å; T93-K95 PolarHBondContact OG1-N 3.07Å
94N87.1Confident91.4Very high114 Ų11462 Ų6261%0.6132%0.315SS*.  trans56.914.5-171.3-69.1-91.6000114.9D90D90-N94 WeakPolarHBondContact O-CA 3.17Å; D90-N94 PolarHBondContact O-N 2.96Å
95K89.6Confident91.6Very high132 Ų13263.4 Ų63.457%0.57432%0.319SS*.SBendtrans-93.9158.1176.4-63.9-172-177.9-1760111.5L89 D90 T93 K97L89-K95 CarbonylContact C-O 3.54Å; L89-K95 VanDerWaalsContact CA-O 3.32Å; L89-K95 WeakPolarHBondContact CA-O 3.38Å; D90-K95 PolarHBondContact N-O 3.32Å; T93-K95 PolarHBondContact O-N 2.84Å; T93-K95 VanDerWaalsContact O-N 3.11Å; T93-K95 PolarHBondContact OG1-N 3.07Å; K95-K97 PolarHBondContact O-N 3.34Å
96C89.3Confident91.5Very high9 Ų964.4 Ų64.46%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-65.1133.1176.5-172.90000110.9Q64 P65 L89 G98Q64-C96 WeakPolarHBondContact O-CB 3.35Å; P65-C96 PolarHBondContact O-N 2.94Å; L89-C96 HydrophobicContact CD2-CB 4.2Å; C96-G98 PolarHBondContact O-N 3.22Å
97K90.8Very high91.5Very high110 Ų11060.7 Ų60.748%0.47832%0.316SS..EExtended strand (participates in β ladder)trans-7415.2176-62.9-17874.4-162.70113.8I88 D90 K95 Y99I88-K97 HydrophobicContact CG2-CD 3.95Å; I88-K97 WeakPolarHBondContact O-CB 3.25Å; I88-K97 WeakPolarHBondContact O-CG 3.42Å; I88-K97 PolarHBondContact O-N 2.97Å; D90-K97 HydrophobicContact CB-CD 4.37Å; D90-K97 HydrophobicContact CB-CG 3.82Å; K95-K97 PolarHBondContact O-N 3.34Å; K97-Y99 VanDerWaalsContact C-N 3.29Å; K97-Y99 HydrophobicContact CB-CD1 3.84Å; K97-Y99 HydrophobicContact CB-CE1 3.52Å; K97-Y99 HydrophobicContact CD-CE1 4.14Å; K97-Y99 HydrophobicContact CG-CE1 4.47Å; K97-Y99 PolarHBondContact NZ-OH 3.17Å; K97-Y99 VanDerWaalsContact NZ-OH 3.12Å; K97-Y99 WeakPolarHBondContact O-CD1 3.18Å; K97-Y99 PolarHBondContact O-N 2.84Å
98G91Very high91.5Very high18 Ų1864.4 Ų64.419%0.18634%0.341CS..EExtended strand (participates in β ladder)trans73.513.6-175.100000115.1R61 G62 L63 C96R61-G98 CarbonylContact C-O 3.5Å; R61-G98 WeakPolarHBondContact CA-O 3.21Å; G62-G98 PolarHBondContact N-O 2.79Å; L63-G98 PolarHBondContact N-O 3.18Å; L63-G98 VanDerWaalsContact N-O 3.09Å; L63-G98 WeakPolarHBondContact O-CA 3.4Å; C96-G98 PolarHBondContact O-N 3.22Å
99Y93.3Very high91.6Very high58 Ų5863.2 Ų63.223%0.22734%0.337CS..EExtended strand (participates in β ladder)trans-147.6156.8174.368.8-86.3000113.8Y59 I60 L63 I88 K97 F101Y59-Y99 HydrophobicContact CD2-CD2 4.47Å; Y59-Y99 AromaticContact CE2-CD2 3.58Å; Y59-Y99 HydrophobicContact CE2-CD2 3.58Å; Y59-Y99 HydrophobicContact CE2-CE2 4.36Å; Y59-Y99 HydrophobicContact CE2-CG 4Å; I60-Y99 CarbonylContact O-C 3.53Å; I60-Y99 WeakPolarHBondContact O-CA 3.34Å; I60-Y99 WeakPolarHBondContact O-CB 3.49Å; L63-Y99 VanDerWaalsContact CD1-C 3.46Å; I88-Y99 HydrophobicContact CB-CD2 4.03Å; I88-Y99 HydrophobicContact CB-CE2 3.69Å; I88-Y99 HydrophobicContact CG1-CD2 3.83Å; I88-Y99 HydrophobicContact CG1-CE2 3.56Å; I88-Y99 HydrophobicContact CG2-CE2 3.93Å; I88-Y99 PolarHBondContact N-O 2.73Å; K97-Y99 VanDerWaalsContact C-N 3.29Å; K97-Y99 HydrophobicContact CB-CD1 3.84Å; K97-Y99 HydrophobicContact CB-CE1 3.52Å; K97-Y99 HydrophobicContact CD-CE1 4.14Å; K97-Y99 HydrophobicContact CG-CE1 4.47Å; K97-Y99 PolarHBondContact NZ-OH 3.17Å; K97-Y99 VanDerWaalsContact NZ-OH 3.12Å; K97-Y99 WeakPolarHBondContact O-CD1 3.18Å; K97-Y99 PolarHBondContact O-N 2.84Å; Y99-F101 HydrophobicContact CD2-CE2 4.39Å; Y99-F101 HydrophobicContact CE2-CE2 4.41Å
100G93.6Very high91.7Very high0 Ų059 Ų590%031%0.314CS..EExtended strand (participates in β ladder)trans-159175.3-178.400000112.8I60 K86I60-G100 PolarHBondContact N-O 2.98Å; I60-G100 PolarHBondContact O-N 3.27Å; K86-G100 CarbonylContact O-C 3.54Å; K86-G100 WeakPolarHBondContact O-CA 3.38Å
101F94.6Very high91.9Very high62 Ų6262.5 Ų62.527%0.27233%0.33SS..EExtended strand (participates in β ladder)trans-124.3146.1-178-63.7-90.2000111.8L58 Y59 T85 K86 I88 Y99 A127L58-F101 WeakPolarHBondContact O-CA 3.44Å; Y59-F101 HydrophobicContact CD2-CD1 4.41Å; Y59-F101 AromaticContact CD2-CE1 3.76Å; Y59-F101 HydrophobicContact CD2-CE1 3.76Å; Y59-F101 AromaticContact CD2-CZ 3.83Å; Y59-F101 HydrophobicContact CD2-CZ 3.83Å; Y59-F101 HydrophobicContact CE2-CZ 4.37Å; T85-F101 CarbonylContact C-O 3.55Å; T85-F101 WeakPolarHBondContact CA-O 3.26Å; K86-F101 PolarHBondContact N-O 3.01Å; K86-F101 PolarHBondContact O-N 2.88Å; I88-F101 HydrophobicContact CD1-CD2 3.91Å; I88-F101 HydrophobicContact CD1-CE2 3.98Å; I88-F101 HydrophobicContact CG1-CD2 3.93Å; I88-F101 HydrophobicContact CG1-CE2 3.78Å; Y99-F101 HydrophobicContact CD2-CE2 4.39Å; Y99-F101 HydrophobicContact CE2-CE2 4.41Å; F101-A127 HydrophobicContact CD1-CB 4.19Å; F101-A127 HydrophobicContact CE1-CB 4.32Å
102V94.5Very high92.2Very high0 Ų059.1 Ų59.10%032%0.315CS..EExtended strand (participates in β ladder)trans-140.6117.7177.5-179.30000109.6N57 L58 I60 L72 C76 I82 T85 F104N57-V102 CarbonylContact C-O 3.49Å; N57-V102 WeakPolarHBondContact CA-O 3.48Å; N57-V102 PolarHBondContact OD1-O 2.74Å; L58-V102 HydrophobicContact CB-CB 4.42Å; L58-V102 WeakPolarHBondContact CB-O 3.46Å; L58-V102 PolarHBondContact N-O 2.79Å; L58-V102 PolarHBondContact O-N 3.03Å; L58-V102 VanDerWaalsContact O-N 3.09Å; I60-V102 HydrophobicContact CD1-CB 4.45Å; I60-V102 HydrophobicContact CD1-CG2 3.79Å; L72-V102 HydrophobicContact CB-CG2 4.08Å; L72-V102 HydrophobicContact CD2-CG2 4.31Å; C76-V102 HydrophobicContact CB-CG1 3.96Å; I82-V102 HydrophobicContact CD1-CG1 4.3Å; I82-V102 HydrophobicContact CG1-CG1 4.22Å; I82-V102 HydrophobicContact CG2-CG1 4.06Å; T85-V102 HydrophobicContact CG2-CG1 4.18Å; T85-V102 HydrophobicContact CG2-CG2 4.07Å; V102-F104 HydrophobicContact CG1-CD2 3.96Å; V102-F104 HydrophobicContact CG1-CE2 3.62Å; V102-F104 HydrophobicContact CG1-CZ 4.43Å
103D93.2Very high92.4Very high12 Ų1253.5 Ų53.56%0.06428%0.28CS..EExtended strand (participates in β ladder)trans-101.1122-179.4-166.321.8000109.5L53 T56 N57 V83 S84 R225L53-D103 WeakPolarHBondContact CD2-OD2 3.26Å; T56-D103 WeakPolarHBondContact CB-OD1 3.39Å; T56-D103 PolarHBondContact OG1-OD1 3.04Å; N57-D103 HydrophobicContact CB-CB 4.47Å; V83-D103 PolarHBondContact N-O 2.79Å; S84-D103 PolarHBondContact N-O 3.33Å; S84-D103 PolarHBondContact O-N 3.37Å; D103-R225 IonicContact OD2-NH2 2.91Å
104F94.4Very high92.6Very high2 Ų250.5 Ų50.51%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-98155.8-177.8-87.6-94000113.1T56 L58 C76 G80 K81 I82 V102 S106 A109 A110 A113T56-F104 VanDerWaalsContact CB-O 3.27Å; T56-F104 WeakPolarHBondContact CB-O 3.39Å; T56-F104 PolarHBondContact O-N 3.01Å; L58-F104 HydrophobicContact CD1-CD2 3.76Å; L58-F104 HydrophobicContact CD1-CE2 3.47Å; L58-F104 VanDerWaalsContact CD1-CE2 3.47Å; L58-F104 HydrophobicContact CG-CD2 4.36Å; L58-F104 HydrophobicContact CG-CE2 4.5Å; C76-F104 HydrophobicContact CB-CE2 4.14Å; C76-F104 HydrophobicContact CB-CZ 3.83Å; C76-F104 WeakPolarHBondContact O-CZ 3.35Å; G80-F104 WeakPolarHBondContact O-CE1 3.33Å; K81-F104 VanDerWaalsContact O-CD1 3.31Å; K81-F104 WeakPolarHBondContact O-CD1 3.41Å; I82-F104 HydrophobicContact CG1-CD1 4.41Å; I82-F104 HydrophobicContact CG1-CE1 4.03Å; I82-F104 HydrophobicContact CG1-CZ 4.13Å; V102-F104 HydrophobicContact CG1-CD2 3.96Å; V102-F104 HydrophobicContact CG1-CE2 3.62Å; V102-F104 HydrophobicContact CG1-CZ 4.43Å; F104-S106 PolarHBondContact O-N 2.89Å; F104-A109 HydrophobicContact CB-CB 4.42Å; F104-A109 HydrophobicContact CD1-CB 3.6Å; F104-A109 HydrophobicContact CE1-CB 4.17Å; F104-A109 HydrophobicContact CG-CB 4.25Å; F104-A110 HydrophobicContact CB-CB 4.15Å; F104-A110 HydrophobicContact CD2-CB 4.34Å; F104-A110 HydrophobicContact CG-CB 4.45Å; F104-A113 HydrophobicContact CE2-CB 3.86Å; F104-A113 HydrophobicContact CZ-CB 3.84Å
105D92.7Very high92.9Very high87 Ų8749.9 Ų49.947%0.46526%0.262SS..SBendtrans-72.3-17.3178.8-156.967.3000113K81 V83K81-D105 HydrophobicContact CB-CB 3.91Å; K81-D105 HydrophobicContact CD-CB 3.91Å; K81-D105 WeakPolarHBondContact CD-OD2 3.48Å; K81-D105 VanDerWaalsContact CE-CG 3.42Å; K81-D105 VanDerWaalsContact CE-OD1 3.27Å; K81-D105 WeakPolarHBondContact CE-OD1 3.15Å; K81-D105 WeakPolarHBondContact CE-OD2 3.22Å; K81-D105 HydrophobicContact CG-CB 3.87Å; K81-D105 IonicContact NZ-OD1 3.7Å; K81-D105 PolarHBondContact NZ-OD1 2.83Å; K81-D105 IonicContact NZ-OD2 2.78Å; K81-D105 PolarHBondContact NZ-OD2 3.27Å; K81-D105 WeakPolarHBondContact O-CB 3.45Å; K81-D105 PolarHBondContact O-N 3.5Å; V83-D105 HydrophobicContact CG2-CB 3.95Å
106S92.3Very high93.1Very high49 Ų4945 Ų4534%0.34325%0.246SC..SBendtrans-143.7145.8175.473.70000112.4F104 S108 A109 A110F104-S106 PolarHBondContact O-N 2.89Å; S106-S108 VanDerWaalsContact C-N 3.28Å; S106-S108 PolarHBondContact O-N 2.94Å; S106-A109 PolarHBondContact O-N 3.37Å; S106-A109 WeakPolarHBondContact OG-CB 3.3Å; S106-A109 PolarHBondContact OG-N 2.79Å; S106-A110 PolarHBondContact O-N 3.29Å
107P91.8Very high93.3Very high50 Ų5044.5 Ų44.533%0.32524%0.243SC..Hα-helixtrans-66.8-30.4-179.527.4-35.2000112.4K55 T56 A109 A110 Q111K55-P107 HydrophobicContact CB-CB 4.26Å; K55-P107 VanDerWaalsContact O-CA 3.32Å; K55-P107 WeakPolarHBondContact O-CA 3.39Å; K55-P107 VanDerWaalsContact O-CB 3.24Å; K55-P107 WeakPolarHBondContact O-CB 3.3Å; T56-P107 HydrophobicContact CG2-CB 4.46Å; P107-A109 VanDerWaalsContact C-N 3.34Å; P107-A109 PolarHBondContact O-N 3.38Å; P107-A110 WeakPolarHBondContact O-CB 3.25Å; P107-A110 PolarHBondContact O-N 2.98Å; P107-Q111 WeakPolarHBondContact O-CG 3.48Å; P107-Q111 PolarHBondContact O-N 2.88Å
108S93.6Very high93.4Very high84 Ų8445.1 Ų45.159%0.58725%0.246SC*.Hα-helixtrans-65.3-36.2175.7-47.20000112.3S106 K112S106-S108 VanDerWaalsContact C-N 3.28Å; S106-S108 PolarHBondContact O-N 2.94Å; S108-K112 WeakPolarHBondContact O-CB 3.4Å; S108-K112 PolarHBondContact O-N 3.01Å
109A94.1Very high93.4Very high10 Ų1048.7 Ų48.78%0.08327%0.273CS..Hα-helixtrans-69.2-40.917300000111.6F104 S106 P107 K112 A113F104-A109 HydrophobicContact CB-CB 4.42Å; F104-A109 HydrophobicContact CD1-CB 3.6Å; F104-A109 HydrophobicContact CE1-CB 4.17Å; F104-A109 HydrophobicContact CG-CB 4.25Å; S106-A109 PolarHBondContact O-N 3.37Å; S106-A109 WeakPolarHBondContact OG-CB 3.3Å; S106-A109 PolarHBondContact OG-N 2.79Å; P107-A109 VanDerWaalsContact C-N 3.34Å; P107-A109 PolarHBondContact O-N 3.38Å; A109-K112 PolarHBondContact O-N 3.07Å; A109-A113 WeakPolarHBondContact O-CB 3.32Å; A109-A113 PolarHBondContact O-N 2.8Å
110A93.8Very high93.2Very high0 Ų049.7 Ų49.70%029%0.289CS..Hα-helixtrans-58.9-48.8174.400000111.8T56 L58 F104 S106 P107 K112 A113 V114 M126T56-A110 WeakPolarHBondContact O-CB 3.41Å; L58-A110 HydrophobicContact CD2-CB 4.05Å; L58-A110 HydrophobicContact CG-CB 4.38Å; F104-A110 HydrophobicContact CB-CB 4.15Å; F104-A110 HydrophobicContact CD2-CB 4.34Å; F104-A110 HydrophobicContact CG-CB 4.45Å; S106-A110 PolarHBondContact O-N 3.29Å; P107-A110 WeakPolarHBondContact O-CB 3.25Å; P107-A110 PolarHBondContact O-N 2.98Å; A110-K112 PolarHBondContact O-N 2.86Å; A110-A113 WeakPolarHBondContact O-CB 3.41Å; A110-A113 PolarHBondContact O-N 2.68Å; A110-V114 PolarHBondContact O-N 2.91Å; A110-M126 HydrophobicContact CB-CE 4.01Å; A110-M126 HydrophobicContact CB-SD 4.28Å
111Q93.3Very high92.9Very high123 Ų12352.9 Ų52.958%0.57532%0.322SS*.Hα-helixtrans-61.3-42.8176.7-73179.5-25.600112.6P107 A113 V114 T115P107-Q111 WeakPolarHBondContact O-CG 3.48Å; P107-Q111 PolarHBondContact O-N 2.88Å; Q111-A113 VanDerWaalsContact C-N 3.31Å; Q111-A113 PolarHBondContact O-N 3.14Å; Q111-V114 PolarHBondContact O-N 2.89Å; Q111-T115 PolarHBondContact O-N 3.48Å; Q111-T115 PolarHBondContact O-OG1 2.81Å
112K94.2Very high92.7Very high123 Ų12351.6 Ų51.654%0.53532%0.319SS..Hα-helixtrans-58.6-43.5173.8-174.9-173.6177.9-168.20111.3S108 A109 A110 T115 A116S108-K112 WeakPolarHBondContact O-CB 3.4Å; S108-K112 PolarHBondContact O-N 3.01Å; A109-K112 PolarHBondContact O-N 3.07Å; A110-K112 PolarHBondContact O-N 2.86Å; K112-T115 PolarHBondContact O-N 3.48Å; K112-A116 WeakPolarHBondContact O-CB 3.37Å; K112-A116 PolarHBondContact O-N 2.78Å
113A94.3Very high92.5Very high0 Ų057.3 Ų57.30%035%0.346CS..Hα-helixtrans-64.1-42.6177.300000112.4L58 Y79 F104 A109 A110 Q111 T115 A116 L117L58-A113 HydrophobicContact CD1-CB 3.7Å; Y79-A113 HydrophobicContact CD2-CB 3.78Å; Y79-A113 HydrophobicContact CG-CB 3.97Å; F104-A113 HydrophobicContact CE2-CB 3.86Å; F104-A113 HydrophobicContact CZ-CB 3.84Å; A109-A113 WeakPolarHBondContact O-CB 3.32Å; A109-A113 PolarHBondContact O-N 2.8Å; A110-A113 WeakPolarHBondContact O-CB 3.41Å; A110-A113 PolarHBondContact O-N 2.68Å; Q111-A113 VanDerWaalsContact C-N 3.31Å; Q111-A113 PolarHBondContact O-N 3.14Å; A113-T115 VanDerWaalsContact C-N 3.34Å; A113-T115 PolarHBondContact O-N 3.11Å; A113-A116 PolarHBondContact O-N 2.66Å; A113-L117 HydrophobicContact CB-CD1 4.39Å; A113-L117 WeakPolarHBondContact O-CB 3Å; A113-L117 WeakPolarHBondContact O-CD1 3.08Å; A113-L117 WeakPolarHBondContact O-CG 3.31Å; A113-L117 PolarHBondContact O-N 3.14Å
114V94.2Very high92.5Very high17 Ų1756.9 Ų56.910%0.10334%0.344CS..Hα-helixtrans-53.2-52.8174175.40000110.8L58 A110 Q111 K118 M126L58-V114 HydrophobicContact CD2-CG2 3.4Å; A110-V114 PolarHBondContact O-N 2.91Å; Q111-V114 PolarHBondContact O-N 2.89Å; V114-K118 HydrophobicContact CG1-CD 4Å; V114-K118 HydrophobicContact CG1-CG 4.5Å; V114-K118 WeakPolarHBondContact O-CB 3.44Å; V114-K118 VanDerWaalsContact O-CG 3.27Å; V114-K118 WeakPolarHBondContact O-CG 3.31Å; V114-K118 PolarHBondContact O-N 2.91Å; V114-M126 HydrophobicContact CG2-CG 4.36Å; V114-M126 HydrophobicContact CG2-SD 3.74Å
115T93.5Very high92.4Very high101 Ų10161.1 Ų61.162%0.6236%0.364SS*.Hα-helixtrans-66.6-44.3-174.4-56.90000111.6Q111 K112 A113 A119Q111-T115 PolarHBondContact O-N 3.48Å; Q111-T115 PolarHBondContact O-OG1 2.81Å; K112-T115 PolarHBondContact O-N 3.48Å; A113-T115 VanDerWaalsContact C-N 3.34Å; A113-T115 PolarHBondContact O-N 3.11Å; T115-A119 WeakPolarHBondContact O-CB 3.42Å; T115-A119 PolarHBondContact O-N 2.81Å
116A93.7Very high92.4Very high29 Ų2959.7 Ų59.724%0.2436%0.355CS..Hα-helixtrans-69.4-41.2-179.600000113Y79 K112 A113 A119 S120Y79-A116 HydrophobicContact CD1-CB 3.82Å; Y79-A116 HydrophobicContact CE1-CB 3.27Å; Y79-A116 HydrophobicContact CE2-CB 4.42Å; K112-A116 WeakPolarHBondContact O-CB 3.37Å; K112-A116 PolarHBondContact O-N 2.78Å; A113-A116 PolarHBondContact O-N 2.66Å; A116-A119 PolarHBondContact O-N 2.81Å; A116-S120 WeakPolarHBondContact O-CB 3.17Å; A116-S120 PolarHBondContact O-N 3.45Å
117L92.4Very high92.2Very high0 Ų057.6 Ų57.60%034%0.341CS..Hα-helixtrans-65.7-42.4176.6-69.8170.1000111.4I60 L75 Y79 A113 A119 S120 G121 V122 A124I60-L117 HydrophobicContact CD1-CD1 3.93Å; L75-L117 HydrophobicContact CD1-CD2 3.74Å; L75-L117 HydrophobicContact CD2-CD2 4.11Å; L75-L117 HydrophobicContact CG-CD2 3.71Å; Y79-L117 HydrophobicContact CE2-CD2 3.81Å; Y79-L117 HydrophobicContact CE2-CG 3.88Å; A113-L117 HydrophobicContact CB-CD1 4.39Å; A113-L117 WeakPolarHBondContact O-CB 3Å; A113-L117 WeakPolarHBondContact O-CD1 3.08Å; A113-L117 WeakPolarHBondContact O-CG 3.31Å; A113-L117 PolarHBondContact O-N 3.14Å; L117-A119 PolarHBondContact O-N 3.39Å; L117-S120 CarbonylContact O-C 3.42Å; L117-S120 WeakPolarHBondContact O-CA 3.27Å; L117-S120 WeakPolarHBondContact O-CB 3.43Å; L117-S120 PolarHBondContact O-N 2.87Å; L117-S120 VanDerWaalsContact O-N 3.11Å; L117-G121 PolarHBondContact O-N 3.27Å; L117-V122 CarbonylContact C-O 3.47Å; L117-V122 HydrophobicContact CB-CB 4.16Å; L117-V122 HydrophobicContact CB-CG1 4.34Å; L117-V122 HydrophobicContact CD2-CB 4.47Å; L117-V122 HydrophobicContact CD2-CG1 4.45Å; L117-V122 WeakPolarHBondContact O-CB 3.48Å; L117-V122 PolarHBondContact O-N 3Å; L117-A124 HydrophobicContact CB-CB 3.56Å; L117-A124 HydrophobicContact CD1-CB 3.72Å; L117-A124 HydrophobicContact CG-CB 4.3Å
118K92.3Very high91.7Very high123 Ų12364.3 Ų64.354%0.53537%0.365SS..Hα-helixtrans-59.1-44.4172.6-77.1-178.5179.8-172.70112.3V114 S120 G121 V122 A124V114-K118 HydrophobicContact CG1-CD 4Å; V114-K118 HydrophobicContact CG1-CG 4.5Å; V114-K118 WeakPolarHBondContact O-CB 3.44Å; V114-K118 VanDerWaalsContact O-CG 3.27Å; V114-K118 WeakPolarHBondContact O-CG 3.31Å; V114-K118 PolarHBondContact O-N 2.91Å; K118-S120 PolarHBondContact O-N 2.78Å; K118-G121 PolarHBondContact O-N 3.22Å; K118-V122 WeakPolarHBondContact CA-O 3.5Å; K118-A124 WeakPolarHBondContact CE-O 3.26Å
119A91.4Very high90.6Very high92 Ų9263.3 Ų63.376%0.7635%0.351SS*.Hα-helixtrans-63.4-30.5175.800000112.5T115 A116 L117 G121T115-A119 WeakPolarHBondContact O-CB 3.42Å; T115-A119 PolarHBondContact O-N 2.81Å; A116-A119 PolarHBondContact O-N 2.81Å; L117-A119 PolarHBondContact O-N 3.39Å; A119-G121 PolarHBondContact O-N 2.79Å
120S88.6Confident89.2Confident79 Ų7970.1 Ų70.155%0.55238%0.381SS*.THydrogen-bonded Turntrans-81.310172.4-168.50000114.3A116 L117 K118 V122A116-S120 WeakPolarHBondContact O-CB 3.17Å; A116-S120 PolarHBondContact O-N 3.45Å; L117-S120 CarbonylContact O-C 3.42Å; L117-S120 WeakPolarHBondContact O-CA 3.27Å; L117-S120 WeakPolarHBondContact O-CB 3.43Å; L117-S120 PolarHBondContact O-N 2.87Å; L117-S120 VanDerWaalsContact O-N 3.11Å; K118-S120 PolarHBondContact O-N 2.78Å; S120-V122 VanDerWaalsContact C-N 3.31Å; S120-V122 PolarHBondContact O-N 2.9Å
121G88.1Confident87.9Confident68 Ų6877.3 Ų77.370%0.70142%0.415SS*.THydrogen-bonded Turntrans79.13.3179.300000115.6L117 K118 A119L117-G121 PolarHBondContact O-N 3.27Å; K118-G121 PolarHBondContact O-N 3.22Å; A119-G121 PolarHBondContact O-N 2.79Å
122V90.3Very high86.5Confident34 Ų3476 Ų7621%0.20641%0.408CS..  trans-88.2132.7-179.6174.90000110.1I60 L117 K118 S120 A124I60-V122 HydrophobicContact CG2-CG1 3.49Å; I60-V122 VanDerWaalsContact CG2-CG1 3.49Å; L117-V122 CarbonylContact C-O 3.47Å; L117-V122 HydrophobicContact CB-CB 4.16Å; L117-V122 HydrophobicContact CB-CG1 4.34Å; L117-V122 HydrophobicContact CD2-CB 4.47Å; L117-V122 HydrophobicContact CD2-CG1 4.45Å; L117-V122 WeakPolarHBondContact O-CB 3.48Å; L117-V122 PolarHBondContact O-N 3Å; K118-V122 WeakPolarHBondContact CA-O 3.5Å; S120-V122 VanDerWaalsContact C-N 3.31Å; S120-V122 PolarHBondContact O-N 2.9Å; V122-A124 VanDerWaalsContact C-N 3.25Å; V122-A124 PolarHBondContact O-N 3.32Å
123Q91.4Very high85.3Confident121 Ų12171.7 Ų71.757%0.56539%0.391SS*.EExtended strand (participates in β ladder)trans-78.569.8-178.9-62.3-174.9-17.300112.1R61R61-Q123 HydrophobicContact CB-CB 4.05Å; R61-Q123 PolarHBondContact N-O 2.89Å; R61-Q123 WeakPolarHBondContact O-CB 3.19Å; R61-Q123 PolarHBondContact O-N 3.36Å
124A92.9Very high84.5Confident2 Ų275.6 Ų75.62%0.01742%0.417CS..EExtended strand (participates in β ladder)trans-91145.217300000112.3Y59 I60 L117 K118 V122Y59-A124 WeakPolarHBondContact O-CA 3.37Å; I60-A124 HydrophobicContact CG1-CB 4.22Å; L117-A124 HydrophobicContact CB-CB 3.56Å; L117-A124 HydrophobicContact CD1-CB 3.72Å; L117-A124 HydrophobicContact CG-CB 4.3Å; K118-A124 WeakPolarHBondContact CE-O 3.26Å; V122-A124 VanDerWaalsContact C-N 3.25Å; V122-A124 PolarHBondContact O-N 3.32Å
125Q92.5Very high84.3Confident92 Ų9275.8 Ų75.843%0.4342%0.418SS..EExtended strand (participates in β ladder)trans-152.7167.1169.861.1179.712.900110.3L58 Y59 A127L58-Q125 CarbonylContact C-O 3.55Å; L58-Q125 WeakPolarHBondContact CA-O 3.5Å; Y59-Q125 HydrophobicContact CD1-CG 3.97Å; Y59-Q125 PolarHBondContact N-O 3.04Å; Y59-Q125 PolarHBondContact O-N 3.26Å; Q125-A127 PolarHBondContact O-N 3.32Å
126M92.6Very high84.3Confident56 Ų5672.4 Ų72.428%0.27640%0.396SS..EExtended strand (participates in β ladder)trans-59134.5166.7-61.8-50.8-56.800109.5K55 N57 L58 A110 V114 K128K55-M126 VanDerWaalsContact C-CE 3.41Å; K55-M126 VanDerWaalsContact O-CE 3.22Å; K55-M126 WeakPolarHBondContact O-CE 3.48Å; N57-M126 WeakPolarHBondContact O-CE 3.5Å; L58-M126 HydrophobicContact CD2-CE 4.18Å; L58-M126 HydrophobicContact CD2-SD 3.62Å; A110-M126 HydrophobicContact CB-CE 4.01Å; A110-M126 HydrophobicContact CB-SD 4.28Å; V114-M126 HydrophobicContact CG2-CG 4.36Å; V114-M126 HydrophobicContact CG2-SD 3.74Å; M126-K128 PolarHBondContact O-N 2.99Å
127A87.7Confident84.2Confident6 Ų671 Ų715%0.0538%0.384CS..  trans-67117.8176.400000109N57 F101 Q125 Q129N57-A127 HydrophobicContact CB-CB 4.02Å; N57-A127 WeakPolarHBondContact O-CB 3Å; N57-A127 PolarHBondContact O-N 3.36Å; F101-A127 HydrophobicContact CD1-CB 4.19Å; F101-A127 HydrophobicContact CE1-CB 4.32Å; Q125-A127 PolarHBondContact O-N 3.32Å; A127-Q129 PolarHBondContact O-N 3.31Å
128K81.1Confident84.3Confident191 Ų19173.6 Ų73.683%0.8340%0.395SS*.  trans-61.1114.9160.8-73.1-167.5176-171.30107M126 Q130M126-K128 PolarHBondContact O-N 2.99Å; K128-Q130 PolarHBondContact O-N 2.73Å
129Q69.5Low84.4Confident62 Ų6267.8 Ų67.829%0.2937%0.369SS..  trans-60.4121.3171.9-177.4154.79.600107.7N50 S54 A127 E131N50-Q129 VanDerWaalsContact C-NE2 3.26Å; N50-Q129 PolarHBondContact O-NE2 3.48Å; N50-Q129 PolarHBondContact O-OE1 2.93Å; N50-Q129 VanDerWaalsContact O-OE1 3.13Å; N50-Q129 PolarHBondContact OD1-NE2 3.36Å; S54-Q129 PolarHBondContact OG-OE1 3.35Å; A127-Q129 PolarHBondContact O-N 3.31Å; Q129-E131 PolarHBondContact O-N 2.82Å; Q129-E131 VanDerWaalsContact O-N 3.13Å
130Q66Low84.5Confident153 Ų15363.7 Ų63.772%0.71534%0.335SS*.  trans-69112.1168.4-176.2166.5-14.300106.2K128 Q132K128-Q130 PolarHBondContact O-N 2.73Å; Q130-Q132 PolarHBondContact O-N 2.82Å
131E66.5Low84.7Confident151 Ų15162.2 Ų62.271%0.70632%0.321SS*.  trans-59.6108.7173.9-172.1162.3-152.400107.5Q129 D133Q129-E131 PolarHBondContact O-N 2.82Å; Q129-E131 VanDerWaalsContact O-N 3.13Å; E131-D133 PolarHBondContact O-N 3.42Å
132Q63.4Low84.8Confident96 Ų9659.3 Ų59.345%0.44929%0.289SS..  trans-76.485.3173.3-73.6-158-55.900107.4Q130 P134 D219Q130-Q132 PolarHBondContact O-N 2.82Å; Q132-P134 WeakPolarHBondContact O-CD 3.42Å; Q132-D219 HydrophobicContact CG-CB 4.44Å; Q132-D219 PolarHBondContact NE2-OD1 3.03Å
133D68Low84.7Confident32 Ų3258 Ų5817%0.17128%0.282CS..  trans-53.1107.1169.1-64.3-70.4000109.4E131 T135 N136 R181E131-D133 PolarHBondContact O-N 3.42Å; D133-T135 PolarHBondContact O-N 2.78Å; D133-N136 HydrophobicContact CB-CB 3.64Å; D133-N136 PolarHBondContact O-N 2.87Å; D133-R181 IonicContact OD1-CZ 2.73Å; D133-R181 IonicContact OD1-NE 2.74Å; D133-R181 PolarHBondContact OD1-NE 2.78Å; D133-R181 IonicContact OD1-NH2 3.3Å; D133-R181 PolarHBondContact OD1-NH2 2.71Å; D133-R181 IonicContact OD2-CZ 3.7Å; D133-R181 IonicContact OD2-NE 2.71Å; D133-R181 PolarHBondContact OD2-NE 3.11Å; D133-R181 IonicContact OD2-NH2 2.78Å; D133-R181 PolarHBondContact OD2-NH2 2.91Å
134P79.2Confident84.6Confident83 Ų8358 Ų5854%0.53929%0.285SS..THydrogen-bonded Turntrans-71.2-16.4179.133.8-36.3000110.6Q132 T185 F217Q132-P134 WeakPolarHBondContact O-CD 3.42Å; P134-T185 HydrophobicContact CB-CG2 3.61Å; P134-T185 HydrophobicContact CG-CG2 3.97Å; P134-F217 VanDerWaalsContact O-CD1 3.31Å; P134-F217 WeakPolarHBondContact O-CD1 3.49Å; P134-F217 WeakPolarHBondContact O-CE1 3.46Å
135T89.4Confident84.3Confident20 Ų2060.5 Ų60.512%0.12330%0.303CS..THydrogen-bonded Turntrans-90.910.1178.373.40000114.2D133 R181 M182 T185 C188D133-T135 PolarHBondContact O-N 2.78Å; T135-R181 WeakPolarHBondContact O-CA 3.38Å; T135-R181 VanDerWaalsContact OG1-CG 3.31Å; T135-R181 WeakPolarHBondContact OG1-CG 3.4Å; T135-M182 WeakPolarHBondContact CB-O 3.18Å; T135-M182 PolarHBondContact O-N 3.04Å; T135-M182 PolarHBondContact OG1-O 2.64Å; T135-T185 HydrophobicContact CG2-CG2 4.23Å; T135-C188 VanDerWaalsContact CA-SG 3.5Å; T135-C188 PolarHBondContact O-SG 3.23Å
136N92.5Very high84.1Confident30 Ų3056.7 Ų56.716%0.1629%0.285CS..EExtended strand (participates in β ladder)trans-93.7120.4-179-171.40.8000111.7D133 A218D133-N136 HydrophobicContact CB-CB 3.64Å; D133-N136 PolarHBondContact O-N 2.87Å; N136-A218 HydrophobicContact CB-CB 4.16Å; N136-A218 WeakPolarHBondContact O-CB 3.5Å; N136-A218 PolarHBondContact O-N 3.39Å
137L93.5Very high84Confident0 Ų057.5 Ų57.50%029%0.29CS..EExtended strand (participates in β ladder)trans-96.5140.8178.2-67.6171.2000111.3I139 F179 A180 M182 C188 I191 I192 K216L137-I139 HydrophobicContact CB-CG1 4.35Å; L137-F179 VanDerWaalsContact O-CA 3.22Å; L137-F179 WeakPolarHBondContact O-CA 3.47Å; L137-A180 WeakPolarHBondContact CB-O 3.33Å; L137-A180 PolarHBondContact N-O 2.91Å; L137-A180 PolarHBondContact O-N 3.08Å; L137-M182 HydrophobicContact CD1-CG 3.95Å; L137-C188 HydrophobicContact CD1-CB 4.5Å; L137-C188 HydrophobicContact CD2-CB 3.67Å; L137-C188 HydrophobicContact CG-CB 4.1Å; L137-I191 HydrophobicContact CD1-CB 4.05Å; L137-I191 HydrophobicContact CD1-CD1 4Å; L137-I191 HydrophobicContact CD1-CG2 3.57Å; L137-I192 HydrophobicContact CD2-CD1 3.67Å; L137-I192 HydrophobicContact CD2-CG1 3.68Å; L137-K216 CarbonylContact C-O 3.59Å; L137-K216 WeakPolarHBondContact CA-O 3.41Å
138Y94.1Very high84.3Confident55 Ų5559.9 Ų59.922%0.21630%0.3CS..EExtended strand (participates in β ladder)trans-102.5130.3160.3171.1-78.1000108.2S140 V177 F179 K216Y138-S140 WeakPolarHBondContact CE1-OG 3.37Å; Y138-V177 HydrophobicContact CD2-CG1 4.15Å; Y138-V177 HydrophobicContact CE2-CG1 3.5Å; Y138-F179 AromaticContact CD2-CE1 3.78Å; Y138-F179 HydrophobicContact CD2-CE1 3.78Å; Y138-F179 HydrophobicContact CD2-CE2 4.43Å; Y138-F179 AromaticContact CD2-CZ 3.72Å; Y138-F179 HydrophobicContact CD2-CZ 3.72Å; Y138-F179 HydrophobicContact CE2-CZ 4.34Å; Y138-F179 HydrophobicContact CG-CE1 4.47Å; Y138-K216 HydrophobicContact CD1-CD 4.27Å; Y138-K216 HydrophobicContact CD1-CG 4.02Å; Y138-K216 PolarHBondContact N-O 3.28Å; Y138-K216 PolarHBondContact O-N 2.9Å; Y138-K216 VanDerWaalsContact O-O 3.1Å
139I94.1Very high84.9Confident0 Ų058.5 Ų58.50%030%0.297CS..EExtended strand (participates in β ladder)trans-128.6121.1179.6-56.3170.7000106.9L137 L142 L151 L155 V177 G178 A180 L214L137-I139 HydrophobicContact CB-CG1 4.35Å; I139-L142 HydrophobicContact CG2-CD1 4.25Å; I139-L142 HydrophobicContact CG2-CD2 3.71Å; I139-L142 HydrophobicContact CG2-CG 3.99Å; I139-L151 HydrophobicContact CD1-CD1 3.95Å; I139-L155 HydrophobicContact CD1-CD1 3.96Å; I139-L155 HydrophobicContact CD1-CD2 4.19Å; I139-V177 CarbonylContact O-C 3.54Å; I139-V177 WeakPolarHBondContact O-CA 3.42Å; I139-G178 PolarHBondContact N-O 3.19Å; I139-G178 PolarHBondContact O-N 2.74Å; I139-G178 VanDerWaalsContact O-O 3.13Å; I139-A180 HydrophobicContact CD1-CB 4.41Å; I139-L214 CarbonylContact C-O 3.59Å; I139-L214 WeakPolarHBondContact CA-O 3.41Å
140S93.1Very high85.9Confident7 Ų759.7 Ų59.75%0.04930%0.302CS..EExtended strand (participates in β ladder)trans-124.7172.517470.90000113Y138 G176 L214Y138-S140 WeakPolarHBondContact CE1-OG 3.37Å; S140-G176 CarbonylContact C-O 3.45Å; S140-G176 WeakPolarHBondContact CA-O 3.31Å; S140-L214 PolarHBondContact N-O 3.41Å; S140-L214 PolarHBondContact O-N 3.46Å; S140-L214 WeakPolarHBondContact OG-CB 3.44Å
141N91.9Very high87.2Confident48 Ų4852.4 Ų52.426%0.25727%0.268SS..SBendtrans68.328.4-173.3-47.966.9000110.8G176 P209 D211 P212N141-G176 PolarHBondContact N-O 2.9Å; N141-P209 WeakPolarHBondContact O-CB 3.27Å; N141-P209 VanDerWaalsContact O-CG 3.31Å; N141-P209 WeakPolarHBondContact O-CG 3.35Å; N141-D211 HydrophobicContact CB-CB 4.17Å; N141-D211 WeakPolarHBondContact ND2-CB 3.49Å; N141-D211 PolarHBondContact ND2-OD2 2.96Å; N141-P212 WeakPolarHBondContact CB-O 3.46Å
142L91.3Very high88.5Confident6 Ų648.4 Ų48.43%0.03125%0.25CC..  trans-69.2152.8169.2-64.6171.1000110.6I139 M146 L151 M154 I166 G176 I200 L213I139-L142 HydrophobicContact CG2-CD1 4.25Å; I139-L142 HydrophobicContact CG2-CD2 3.71Å; I139-L142 HydrophobicContact CG2-CG 3.99Å; L142-M146 HydrophobicContact CD2-SD 3.75Å; L142-L151 HydrophobicContact CD1-CD1 4.47Å; L142-L151 HydrophobicContact CD1-CD2 4.34Å; L142-L151 HydrophobicContact CD2-CD1 4.35Å; L142-M154 HydrophobicContact CD2-CE 4.16Å; L142-I166 HydrophobicContact CD1-CD1 3.95Å; L142-G176 PolarHBondContact N-O 3.01Å; L142-G176 WeakPolarHBondContact O-CA 3.27Å; L142-I200 HydrophobicContact CD2-CD1 4.47Å; L142-L213 HydrophobicContact CD2-CD2 3.79Å; L142-L213 HydrophobicContact CG-CD2 4.47Å
143P88.8Confident89.9Confident6 Ų645.9 Ų45.94%0.03925%0.249CC..  trans-60.2147173.3-17.430000111.8S145 M146 I200 T202 V206 P209P143-S145 PolarHBondContact O-N 3.33Å; P143-M146 HydrophobicContact CB-CB 4.1Å; P143-M146 HydrophobicContact CG-CB 4.16Å; P143-M146 HydrophobicContact CG-SD 4.43Å; P143-M146 WeakPolarHBondContact O-CB 3.33Å; P143-M146 PolarHBondContact O-N 2.98Å; P143-I200 HydrophobicContact CG-CD1 4.2Å; P143-I200 HydrophobicContact CG-CG2 3.72Å; P143-T202 HydrophobicContact CB-CG2 4Å; P143-T202 HydrophobicContact CG-CG2 3.57Å; P143-V206 HydrophobicContact CB-CG1 4.4Å; P143-P209 HydrophobicContact CB-CG 4.39Å; P143-P209 HydrophobicContact CG-CG 4.07Å
144L88.1Confident90.9Very high122 Ų12245.8 Ų45.864%0.63925%0.248SC*.THydrogen-bonded Turntrans-69.6-17.4-179.8-57.8-179.7000113.4S174L144-S174 WeakPolarHBondContact CD2-O 3.27Å; L144-S174 WeakPolarHBondContact O-CB 3.47Å
145S87Confident91.5Very high55 Ų5541.9 Ų41.939%0.38522%0.223SC..THydrogen-bonded Turntrans-88.5-5.6172.266.70000113.8P143 D147 V206P143-S145 PolarHBondContact O-N 3.33Å; S145-D147 PolarHBondContact O-N 2.87Å; S145-V206 VanDerWaalsContact OG-CG1 3.22Å; S145-V206 WeakPolarHBondContact OG-CG1 3.35Å
146M87.9Confident91.6Very high11 Ų1147.1 Ų47.15%0.05424%0.244CC..  trans-82.7123.1-168.5-166.4177.4-165.900111.7L142 P143 E150 L151 M154 I200L142-M146 HydrophobicContact CD2-SD 3.75Å; P143-M146 HydrophobicContact CB-CB 4.1Å; P143-M146 HydrophobicContact CG-CB 4.16Å; P143-M146 HydrophobicContact CG-SD 4.43Å; P143-M146 WeakPolarHBondContact O-CB 3.33Å; P143-M146 PolarHBondContact O-N 2.98Å; M146-E150 WeakPolarHBondContact CA-OE2 3.48Å; M146-E150 HydrophobicContact CE-CB 3.76Å; M146-E150 HydrophobicContact CG-CB 3.93Å; M146-E150 WeakPolarHBondContact CG-OE2 3.16Å; M146-L151 HydrophobicContact CE-CB 4.49Å; M146-M154 HydrophobicContact CE-CB 4.37Å; M146-M154 HydrophobicContact CE-CE 4.19Å; M146-M154 HydrophobicContact CE-SD 4.29Å; M146-I200 HydrophobicContact CE-CD1 3.73Å; M146-I200 HydrophobicContact SD-CD1 3.44Å; M146-I200 WeakPolarHBondContact SD-CD1 3.48Å
147D92Very high91.6Very high73 Ų7350.7 Ų50.739%0.3927%0.269SS..  trans-102166.1-175.8-73.4-30.9000112.9S145 Q149 E150 L151 R168S145-D147 PolarHBondContact O-N 2.87Å; D147-Q149 PolarHBondContact O-N 3.09Å; D147-Q149 VanDerWaalsContact O-N 3.11Å; D147-E150 PolarHBondContact O-N 2.92Å; D147-E150 VanDerWaalsContact O-N 3.14Å; D147-L151 PolarHBondContact O-N 3.03Å; D147-R168 IonicContact OD1-CZ 3.74Å; D147-R168 VanDerWaalsContact OD1-CZ 3.27Å; D147-R168 IonicContact OD1-NH1 3.99Å; D147-R168 PolarHBondContact OD1-NH1 3.06Å; D147-R168 IonicContact OD1-NH2 2.68Å; D147-R168 PolarHBondContact OD1-NH2 3.09Å
148E93.7Very high91.5Very high56 Ų5653.2 Ų53.226%0.26228%0.28SS..Hα-helixtrans-51.1-35.4-178.2-81.181.4177.400114.4E152 T164 I166 R168E148-E152 PolarHBondContact O-N 3.03Å; E148-T164 WeakPolarHBondContact CB-OG1 3.28Å; E148-T164 PolarHBondContact O-OG1 3.12Å; E148-I166 HydrophobicContact CG-CG1 4.13Å; E148-I166 WeakPolarHBondContact OE1-CB 3.41Å; E148-I166 PolarHBondContact OE1-N 3.11Å; E148-R168 IonicContact OE1-NH2 2.9Å; E148-R168 IonicContact OE2-CZ 3.21Å; E148-R168 IonicContact OE2-NH2 2.98Å; E148-R168 PolarHBondContact OE2-NH2 3.21Å
149Q93.1Very high91.3Very high163 Ų16351.1 Ų51.176%0.76228%0.275SS*.Hα-helixtrans-76.6-37.3-178.1-169.9176.817.400112.5D147 L151 E152 G153D147-Q149 PolarHBondContact O-N 3.09Å; D147-Q149 VanDerWaalsContact O-N 3.11Å; Q149-L151 VanDerWaalsContact C-N 3.3Å; Q149-E152 PolarHBondContact O-N 3.44Å; Q149-G153 PolarHBondContact O-N 2.76Å
150E91.4Very high91.3Very high86 Ų8657.7 Ų57.740%0.40231%0.306SS..Hα-helixtrans-66.8-37.5172.4-61.8-169.7126.700110.5M146 D147 G153 M154M146-E150 WeakPolarHBondContact CA-OE2 3.48Å; M146-E150 HydrophobicContact CE-CB 3.76Å; M146-E150 HydrophobicContact CG-CB 3.93Å; M146-E150 WeakPolarHBondContact CG-OE2 3.16Å; D147-E150 PolarHBondContact O-N 2.92Å; D147-E150 VanDerWaalsContact O-N 3.14Å; E150-G153 PolarHBondContact O-N 2.88Å; E150-M154 PolarHBondContact O-N 2.86Å
151L92.6Very high91.4Very high0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-65.5-39.4175.4-177.258.2000111.5I139 L142 M146 D147 Q149 M154 L155 T164 I166I139-L151 HydrophobicContact CD1-CD1 3.95Å; L142-L151 HydrophobicContact CD1-CD1 4.47Å; L142-L151 HydrophobicContact CD1-CD2 4.34Å; L142-L151 HydrophobicContact CD2-CD1 4.35Å; M146-L151 HydrophobicContact CE-CB 4.49Å; D147-L151 PolarHBondContact O-N 3.03Å; Q149-L151 VanDerWaalsContact C-N 3.3Å; L151-M154 HydrophobicContact CD1-CE 3.63Å; L151-L155 HydrophobicContact CD1-CD1 4.2Å; L151-L155 HydrophobicContact CD1-CG 4.46Å; L151-L155 HydrophobicContact CG-CD1 4.38Å; L151-L155 VanDerWaalsContact O-CG 3.3Å; L151-L155 WeakPolarHBondContact O-CG 3.46Å; L151-L155 PolarHBondContact O-N 3.04Å; L151-T164 HydrophobicContact CB-CG2 4.36Å; L151-T164 HydrophobicContact CD2-CG2 4.35Å; L151-T164 HydrophobicContact CG-CG2 4.07Å; L151-I166 HydrophobicContact CB-CD1 4.49Å; L151-I166 HydrophobicContact CD2-CD1 3.73Å
152E93.6Very high91.5Very high68 Ų6860.8 Ų60.832%0.31832%0.322SS..Hα-helixtrans-61.1-49.7171.4-168.3-153.7123.500110.2E148 Q149 M154 L155 K156 V161 T164E148-E152 PolarHBondContact O-N 3.03Å; Q149-E152 PolarHBondContact O-N 3.44Å; E152-M154 VanDerWaalsContact C-N 3.28Å; E152-M154 PolarHBondContact O-N 3.23Å; E152-L155 PolarHBondContact O-N 2.96Å; E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 2.98Å; E152-K156 IonicContact OE1-NZ 3.27Å; E152-K156 PolarHBondContact OE1-NZ 2.9Å; E152-V161 HydrophobicContact CG-CB 3.96Å; E152-V161 HydrophobicContact CG-CG1 4.2Å; E152-V161 HydrophobicContact CG-CG2 4.07Å; E152-T164 HydrophobicContact CB-CG2 4.08Å
153G91.8Very high91.5Very high43 Ų4363 Ų6344%0.44334%0.338SS..Hα-helixtrans-57.3-36-18000000114.1Q149 E150 P157Q149-G153 PolarHBondContact O-N 2.76Å; E150-G153 PolarHBondContact O-N 2.88Å; G153-P157 WeakPolarHBondContact O-CD 3.47Å
154M89.7Confident91.8Very high30 Ų3064.2 Ų64.215%0.14835%0.345CS..Hα-helixtrans-68.8-31.3175.4-177.8170.868.800113.3L142 M146 E150 L151 E152 F195 I200 L213L142-M154 HydrophobicContact CD2-CE 4.16Å; M146-M154 HydrophobicContact CE-CB 4.37Å; M146-M154 HydrophobicContact CE-CE 4.19Å; M146-M154 HydrophobicContact CE-SD 4.29Å; E150-M154 PolarHBondContact O-N 2.86Å; L151-M154 HydrophobicContact CD1-CE 3.63Å; E152-M154 VanDerWaalsContact C-N 3.28Å; E152-M154 PolarHBondContact O-N 3.23Å; M154-F195 HydrophobicContact CG-CD1 4.45Å; M154-F195 HydrophobicContact CG-CE1 3.56Å; M154-F195 HydrophobicContact CG-CE2 4.35Å; M154-F195 HydrophobicContact CG-CZ 3.49Å; M154-F195 VanDerWaalsContact CG-CZ 3.49Å; M154-F195 WeakPolarHBondContact O-CZ 3.24Å; M154-F195 HydrophobicContact SD-CD1 4.15Å; M154-F195 HydrophobicContact SD-CE1 3.73Å; M154-F195 HydrophobicContact SD-CZ 4.25Å; M154-I200 HydrophobicContact CE-CD1 4.27Å; M154-I200 HydrophobicContact SD-CD1 3.7Å; M154-I200 HydrophobicContact SD-CG1 4.1Å; M154-L213 HydrophobicContact CE-CD1 4.32Å; M154-L213 HydrophobicContact SD-CD1 4.27Å
155L92.7Very high92.1Very high0 Ų066.6 Ų66.60%035%0.345CS..Hα-helixtrans-94.7-26.4-175.1-61.5179.1000113.4I139 L151 E152 P157 F158 V161 A180 M182 I191 F195I139-L155 HydrophobicContact CD1-CD1 3.96Å; I139-L155 HydrophobicContact CD1-CD2 4.19Å; L151-L155 HydrophobicContact CD1-CD1 4.2Å; L151-L155 HydrophobicContact CD1-CG 4.46Å; L151-L155 HydrophobicContact CG-CD1 4.38Å; L151-L155 VanDerWaalsContact O-CG 3.3Å; L151-L155 WeakPolarHBondContact O-CG 3.46Å; L151-L155 PolarHBondContact O-N 3.04Å; E152-L155 PolarHBondContact O-N 2.96Å; L155-P157 VanDerWaalsContact C-N 3.31Å; L155-P157 VanDerWaalsContact O-N 3.16Å; L155-F158 WeakPolarHBondContact O-CB 3.27Å; L155-F158 PolarHBondContact O-N 2.97Å; L155-V161 HydrophobicContact CB-CG2 3.78Å; L155-A180 HydrophobicContact CD1-CB 3.34Å; L155-M182 HydrophobicContact CB-SD 4.41Å; L155-M182 HydrophobicContact CD1-SD 4.4Å; L155-I191 HydrophobicContact CB-CD1 4.43Å; L155-I191 HydrophobicContact CD2-CD1 4.06Å; L155-I191 HydrophobicContact CD2-CG1 4.19Å; L155-I191 HydrophobicContact CD2-CG2 3.57Å; L155-F195 HydrophobicContact CD2-CE2 4.31Å
156K91.8Very high92.5Very high130 Ų13064.2 Ų64.257%0.56533%0.328SS*.THydrogen-bonded Turntrans-49.1-33.5178.7-159167.9-161.8141.70116.1E152 F158E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 2.98Å; E152-K156 IonicContact OE1-NZ 3.27Å; E152-K156 PolarHBondContact OE1-NZ 2.9Å; K156-F158 PolarHBondContact O-N 3.46Å
157P92.4Very high92.8Very high106 Ų10666.2 Ų66.269%0.68834%0.339SS*.THydrogen-bonded Turntrans-66-18.4175.9-23.435.5000114.6G153 L155G153-P157 WeakPolarHBondContact O-CD 3.47Å; L155-P157 VanDerWaalsContact C-N 3.31Å; L155-P157 VanDerWaalsContact O-N 3.16Å
158F90.7Very high92.9Very high52 Ų5267.5 Ų67.523%0.22834%0.338CS..THydrogen-bonded Turntrans-93.2-34.4-176.5-65.4-93.2000112L155 K156 K187 A190 I191 H194 F195L155-F158 WeakPolarHBondContact O-CB 3.27Å; L155-F158 PolarHBondContact O-N 2.97Å; K156-F158 PolarHBondContact O-N 3.46Å; F158-K187 WeakPolarHBondContact O-CD 3.49Å; F158-K187 PolarHBondContact O-NZ 2.83Å; F158-A190 HydrophobicContact CD1-CB 4.39Å; F158-I191 HydrophobicContact CB-CD1 3.94Å; F158-I191 HydrophobicContact CB-CG1 3.6Å; F158-I191 HydrophobicContact CD1-CG1 4.15Å; F158-I191 HydrophobicContact CD2-CG1 4.14Å; F158-I191 HydrophobicContact CG-CD1 4.48Å; F158-I191 HydrophobicContact CG-CG1 3.66Å; F158-H194 HydrophobicContact CE1-CB 3.61Å; F158-H194 AromaticContact CE1-CG 3.68Å; F158-H194 HydrophobicContact CZ-CB 3.83Å; F158-H194 AromaticContact CZ-CE1 3.99Å; F158-H194 AromaticContact CZ-CG 3.43Å; F158-H194 VanDerWaalsContact CZ-CG 3.43Å; F158-H194 AromaticContact CZ-ND1 3.37Å; F158-H194 WeakPolarHBondContact CZ-ND1 3.39Å; F158-F195 AromaticContact CD2-CE2 3.89Å; F158-F195 HydrophobicContact CD2-CE2 3.89Å; F158-F195 HydrophobicContact CE2-CD2 4.39Å; F158-F195 AromaticContact CE2-CE2 3.32Å; F158-F195 HydrophobicContact CE2-CE2 3.32Å; F158-F195 AromaticContact CE2-CZ 3.73Å; F158-F195 HydrophobicContact CE2-CZ 3.73Å; F158-F195 AromaticContact CZ-CE2 3.8Å; F158-F195 HydrophobicContact CZ-CE2 3.8Å; F158-F195 HydrophobicContact CZ-CZ 4.3Å
159G90.8Very high92.8Very high11 Ų1168.8 Ų68.811%0.11335%0.347CS..SBendtrans175.5178.4-178.200000112.5V161 E183G159-V161 PolarHBondContact O-N 3.26Å; G159-E183 WeakPolarHBondContact CA-OE1 3.41Å
160Q93.9Very high92.8Very high138 Ų13867.9 Ų67.965%0.64535%0.353SS*.  trans-68.6124.7176.1-172.2170.56.200111M182 E183Q160-M182 WeakPolarHBondContact O-CE 3.48Å; Q160-E183 HydrophobicContact CB-CB 4.27Å; Q160-E183 HydrophobicContact CB-CG 4.48Å; Q160-E183 WeakPolarHBondContact CB-OE2 3.04Å; Q160-E183 PolarHBondContact N-OE1 3.04Å; Q160-E183 PolarHBondContact O-N 3.06Å
161V94.9Very high92.7Very high21 Ų2167.7 Ų67.713%0.12736%0.361CS..EExtended strand (participates in β ladder)trans-85.4127.8171.9-172.50000108.1E152 L155 G159 T164 M182E152-V161 HydrophobicContact CG-CB 3.96Å; E152-V161 HydrophobicContact CG-CG1 4.2Å; E152-V161 HydrophobicContact CG-CG2 4.07Å; L155-V161 HydrophobicContact CB-CG2 3.78Å; G159-V161 PolarHBondContact O-N 3.26Å; V161-T164 HydrophobicContact CG1-CG2 3.76Å; V161-M182 HydrophobicContact CB-SD 4.48Å; V161-M182 HydrophobicContact CG1-SD 4.49Å; V161-M182 HydrophobicContact CG2-CE 3.93Å; V161-M182 HydrophobicContact CG2-SD 4Å
162I92.9Very high92.4Very high100 Ų10069.7 Ų69.751%0.51338%0.382SS..EExtended strand (participates in β ladder)trans-84.3-40.2176.5-60.7-179.3000110.4R181 M182I162-R181 HydrophobicContact CB-CB 4.26Å; I162-R181 HydrophobicContact CB-CG 4.28Å; I162-R181 WeakPolarHBondContact CB-O 3.37Å; I162-R181 HydrophobicContact CD1-CG 4.29Å; I162-R181 PolarHBondContact N-O 3.35Å; I162-M182 VanDerWaalsContact CD1-O 3.27Å; I162-M182 WeakPolarHBondContact CD1-O 3.46Å
163S92.5Very high92.2Very high53 Ų5370.1 Ų70.137%0.37139%0.389SS..EExtended strand (participates in β ladder)trans-163.5150.4175.6560000112A180 R181S163-A180 CarbonylContact O-C 3.59Å; S163-A180 VanDerWaalsContact O-CA 3.3Å; S163-A180 WeakPolarHBondContact O-CA 3.49Å; S163-R181 PolarHBondContact N-O 2.69Å; S163-R181 PolarHBondContact O-N 2.9Å
164T95Very high92.2Very high31 Ų3168.5 Ų68.519%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-118.9158.5166.657.20000110.5E148 L151 E152 V161 F179 A180E148-T164 WeakPolarHBondContact CB-OG1 3.28Å; E148-T164 PolarHBondContact O-OG1 3.12Å; L151-T164 HydrophobicContact CB-CG2 4.36Å; L151-T164 HydrophobicContact CD2-CG2 4.35Å; L151-T164 HydrophobicContact CG-CG2 4.07Å; E152-T164 HydrophobicContact CB-CG2 4.08Å; V161-T164 HydrophobicContact CG1-CG2 3.76Å; T164-F179 CarbonylContact C-O 3.48Å; T164-F179 WeakPolarHBondContact CA-O 3.46Å; T164-A180 HydrophobicContact CG2-CB 4.23Å
165R94.3Very high92.3Very high171 Ų17174.2 Ų74.265%0.64539%0.391SS*.EExtended strand (participates in β ladder)trans-157.1128.5171.8-178.9176.2-179.3166.34.8111G178 F179R165-G178 CarbonylContact O-C 3.52Å; R165-G178 VanDerWaalsContact O-CA 3.25Å; R165-G178 WeakPolarHBondContact O-CA 3.27Å; R165-F179 PolarHBondContact N-O 3.13Å; R165-F179 PolarHBondContact O-N 2.78Å
166I94.8Very high92.2Very high5 Ų574.5 Ų74.53%0.02639%0.393CS..EExtended strand (participates in β ladder)trans-89.2140.9170.1-57.1-59.8000109.5L142 E148 L151 R168 S174L142-I166 HydrophobicContact CD1-CD1 3.95Å; E148-I166 HydrophobicContact CG-CG1 4.13Å; E148-I166 WeakPolarHBondContact OE1-CB 3.41Å; E148-I166 PolarHBondContact OE1-N 3.11Å; L151-I166 HydrophobicContact CB-CD1 4.49Å; L151-I166 HydrophobicContact CD2-CD1 3.73Å; I166-R168 HydrophobicContact CG2-CG 4.16Å; I166-R168 PolarHBondContact O-N 3.36Å; I166-S174 WeakPolarHBondContact CG2-OG 3.39Å
167L93.7Very high92.3Very high54 Ų5469.2 Ų69.228%0.28337%0.372SS..EExtended strand (participates in β ladder)trans-84109.3167.2-104.558.2000108.6R175 V177 F179L167-R175 VanDerWaalsContact O-CB 3.25Å; L167-R175 WeakPolarHBondContact O-CB 3.36Å; L167-R175 WeakPolarHBondContact O-CG 3.2Å; L167-R175 PolarHBondContact O-N 3.38Å; L167-V177 HydrophobicContact CB-CB 4.2Å; L167-V177 HydrophobicContact CB-CG1 4.38Å; L167-V177 HydrophobicContact CD2-CG1 4.16Å; L167-V177 PolarHBondContact N-O 2.82Å; L167-F179 HydrophobicContact CD1-CD2 3.7Å; L167-F179 HydrophobicContact CD1-CE2 3.54Å; L167-F179 HydrophobicContact CD2-CE2 3.99Å; L167-F179 HydrophobicContact CG-CE2 4.41Å
168R94Very high92.4Very high100 Ų10064.2 Ų64.238%0.37734%0.339SS..EExtended strand (participates in β ladder)trans-100.3152.3171-56.7179.2-164.4-102.9-1.4109.3D147 E148 I166 G172 T173D147-R168 IonicContact OD1-CZ 3.74Å; D147-R168 VanDerWaalsContact OD1-CZ 3.27Å; D147-R168 IonicContact OD1-NH1 3.99Å; D147-R168 PolarHBondContact OD1-NH1 3.06Å; D147-R168 IonicContact OD1-NH2 2.68Å; D147-R168 PolarHBondContact OD1-NH2 3.09Å; E148-R168 IonicContact OE1-NH2 2.9Å; E148-R168 IonicContact OE2-CZ 3.21Å; E148-R168 IonicContact OE2-NH2 2.98Å; E148-R168 PolarHBondContact OE2-NH2 3.21Å; I166-R168 HydrophobicContact CG2-CG 4.16Å; I166-R168 PolarHBondContact O-N 3.36Å; R168-G172 WeakPolarHBondContact CD-O 3.2Å; R168-T173 CarbonylContact C-O 3.58Å; R168-T173 WeakPolarHBondContact CA-O 3.15Å
169D92.4Very high92.6Very high83 Ų8364.5 Ų64.544%0.44434%0.341SS..  trans-84.9179.4176.2-160.728.8000111.8S171 G172 T173 R175D169-S171 PolarHBondContact O-N 3.13Å; D169-S171 VanDerWaalsContact O-N 3.12Å; D169-G172 PolarHBondContact O-N 3.34Å; D169-T173 PolarHBondContact N-O 3.3Å; D169-R175 HydrophobicContact CB-CG 4.07Å
170T92.1Very high92.8Very high144 Ų14464 Ų6488%0.88334%0.336SS*.THydrogen-bonded Turntrans-60.7-20.3178.649.40000114.1G172T170-G172 VanDerWaalsContact C-N 3.31Å
171S89.6Confident92.7Very high81 Ų8161.2 Ų61.257%0.56632%0.319SS*.THydrogen-bonded Turntrans-79.4-5.9171.658.30000114.4D169 T173D169-S171 PolarHBondContact O-N 3.13Å; D169-S171 VanDerWaalsContact O-N 3.12Å; S171-T173 PolarHBondContact O-N 3.24Å; S171-T173 WeakPolarHBondContact OG-CB 3.36Å; S171-T173 PolarHBondContact OG-N 2.73Å; S171-T173 PolarHBondContact OG-OG1 2.93Å
172G86.9Confident92.7Very high43 Ų4360.2 Ų60.244%0.44331%0.313SS..SBendtrans80.2-8-169.500000114.7R168 D169 T170R168-G172 WeakPolarHBondContact CD-O 3.2Å; D169-G172 PolarHBondContact O-N 3.34Å; T170-G172 VanDerWaalsContact C-N 3.31Å
173T89.3Confident92.7Very high76 Ų7659.6 Ų59.647%0.46631%0.308SS..  trans-65135177.5-44.20000110.9R168 D169 S171R168-T173 CarbonylContact C-O 3.58Å; R168-T173 WeakPolarHBondContact CA-O 3.15Å; D169-T173 PolarHBondContact N-O 3.3Å; S171-T173 PolarHBondContact O-N 3.24Å; S171-T173 WeakPolarHBondContact OG-CB 3.36Å; S171-T173 PolarHBondContact OG-N 2.73Å; S171-T173 PolarHBondContact OG-OG1 2.93Å
174S91.8Very high92.6Very high9 Ų958.3 Ų58.36%0.06330%0.299CS..EExtended strand (participates in β ladder)trans-58.9144.9172-178.30000111.1L144 I166 G176L144-S174 WeakPolarHBondContact CD2-O 3.27Å; L144-S174 WeakPolarHBondContact O-CB 3.47Å; I166-S174 WeakPolarHBondContact CG2-OG 3.39Å; S174-G176 PolarHBondContact OG-N 3.09Å
175R91.5Very high92.4Very high151 Ų15159.4 Ų59.457%0.5731%0.306SS*.EExtended strand (participates in β ladder)trans-98.510.1175.2-60.5-18056.5170.30.3113L167 D169 V177L167-R175 VanDerWaalsContact O-CB 3.25Å; L167-R175 WeakPolarHBondContact O-CB 3.36Å; L167-R175 WeakPolarHBondContact O-CG 3.2Å; L167-R175 PolarHBondContact O-N 3.38Å; D169-R175 HydrophobicContact CB-CG 4.07Å; R175-V177 PolarHBondContact O-N 2.91Å
176G90.9Very high92.3Very high5 Ų557.7 Ų57.75%0.05231%0.305CS..EExtended strand (participates in β ladder)trans63.525-174.700000113.5S140 N141 L142 S174S140-G176 CarbonylContact C-O 3.45Å; S140-G176 WeakPolarHBondContact CA-O 3.31Å; N141-G176 PolarHBondContact N-O 2.9Å; L142-G176 PolarHBondContact N-O 3.01Å; L142-G176 WeakPolarHBondContact O-CA 3.27Å; S174-G176 PolarHBondContact OG-N 3.09Å
177V93.6Very high92.3Very high20 Ų2060.8 Ų60.812%0.12132%0.318CS..EExtended strand (participates in β ladder)trans-130.3131.2-178.7176.10000108.9Y138 I139 L167 R175 F179Y138-V177 HydrophobicContact CD2-CG1 4.15Å; Y138-V177 HydrophobicContact CE2-CG1 3.5Å; I139-V177 CarbonylContact O-C 3.54Å; I139-V177 WeakPolarHBondContact O-CA 3.42Å; L167-V177 HydrophobicContact CB-CB 4.2Å; L167-V177 HydrophobicContact CB-CG1 4.38Å; L167-V177 HydrophobicContact CD2-CG1 4.16Å; L167-V177 PolarHBondContact N-O 2.82Å; R175-V177 PolarHBondContact O-N 2.91Å; V177-F179 HydrophobicContact CG1-CE2 4.44Å
178G94.3Very high92.2Very high0 Ų058.2 Ų58.20%031%0.305CS..EExtended strand (participates in β ladder)trans-131158.4175.500000112.2I139 R165I139-G178 PolarHBondContact N-O 3.19Å; I139-G178 PolarHBondContact O-N 2.74Å; I139-G178 VanDerWaalsContact O-O 3.13Å; R165-G178 CarbonylContact O-C 3.52Å; R165-G178 VanDerWaalsContact O-CA 3.25Å; R165-G178 WeakPolarHBondContact O-CA 3.27Å
179F94.9Very high92.2Very high58 Ų5858.7 Ų58.725%0.25431%0.311SS..EExtended strand (participates in β ladder)trans-118.7146167.3-67.8-92.1000109.3L137 Y138 T164 R165 L167 V177 A218L137-F179 VanDerWaalsContact O-CA 3.22Å; L137-F179 WeakPolarHBondContact O-CA 3.47Å; Y138-F179 AromaticContact CD2-CE1 3.78Å; Y138-F179 HydrophobicContact CD2-CE1 3.78Å; Y138-F179 HydrophobicContact CD2-CE2 4.43Å; Y138-F179 AromaticContact CD2-CZ 3.72Å; Y138-F179 HydrophobicContact CD2-CZ 3.72Å; Y138-F179 HydrophobicContact CE2-CZ 4.34Å; Y138-F179 HydrophobicContact CG-CE1 4.47Å; T164-F179 CarbonylContact C-O 3.48Å; T164-F179 WeakPolarHBondContact CA-O 3.46Å; R165-F179 PolarHBondContact N-O 3.13Å; R165-F179 PolarHBondContact O-N 2.78Å; L167-F179 HydrophobicContact CD1-CD2 3.7Å; L167-F179 HydrophobicContact CD1-CE2 3.54Å; L167-F179 HydrophobicContact CD2-CE2 3.99Å; L167-F179 HydrophobicContact CG-CE2 4.41Å; V177-F179 HydrophobicContact CG1-CE2 4.44Å; F179-A218 HydrophobicContact CD1-CB 3.69Å; F179-A218 HydrophobicContact CE1-CB 3.74Å
180A94.6Very high92.3Very high1 Ų156.8 Ų56.81%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-144125.8176.100000110.8L137 I139 L155 S163 T164L137-A180 WeakPolarHBondContact CB-O 3.33Å; L137-A180 PolarHBondContact N-O 2.91Å; L137-A180 PolarHBondContact O-N 3.08Å; I139-A180 HydrophobicContact CD1-CB 4.41Å; L155-A180 HydrophobicContact CD1-CB 3.34Å; S163-A180 CarbonylContact O-C 3.59Å; S163-A180 VanDerWaalsContact O-CA 3.3Å; S163-A180 WeakPolarHBondContact O-CA 3.49Å; T164-A180 HydrophobicContact CG2-CB 4.23Å
181R93.2Very high92.3Very high80 Ų8049.9 Ų49.930%0.30227%0.265SS..EExtended strand (participates in β ladder)trans-95.9126.8173.6-169.1-168.6-77.2149.6-13.2109.3D133 T135 I162 S163D133-R181 IonicContact OD1-CZ 2.73Å; D133-R181 IonicContact OD1-NE 2.74Å; D133-R181 PolarHBondContact OD1-NE 2.78Å; D133-R181 IonicContact OD1-NH2 3.3Å; D133-R181 PolarHBondContact OD1-NH2 2.71Å; D133-R181 IonicContact OD2-CZ 3.7Å; D133-R181 IonicContact OD2-NE 2.71Å; D133-R181 PolarHBondContact OD2-NE 3.11Å; D133-R181 IonicContact OD2-NH2 2.78Å; D133-R181 PolarHBondContact OD2-NH2 2.91Å; T135-R181 WeakPolarHBondContact O-CA 3.38Å; T135-R181 VanDerWaalsContact OG1-CG 3.31Å; T135-R181 WeakPolarHBondContact OG1-CG 3.4Å; I162-R181 HydrophobicContact CB-CB 4.26Å; I162-R181 HydrophobicContact CB-CG 4.28Å; I162-R181 WeakPolarHBondContact CB-O 3.37Å; I162-R181 HydrophobicContact CD1-CG 4.29Å; I162-R181 PolarHBondContact N-O 3.35Å; S163-R181 PolarHBondContact N-O 2.69Å; S163-R181 PolarHBondContact O-N 2.9Å
182M94.3Very high92.5Very high0 Ų047.5 Ų47.50%025%0.246CC..EExtended strand (participates in β ladder)trans-100.9167.4178.1-57.7-56.1-5700112.2T135 L137 L155 Q160 V161 I162 K187 I191T135-M182 WeakPolarHBondContact CB-O 3.18Å; T135-M182 PolarHBondContact O-N 3.04Å; T135-M182 PolarHBondContact OG1-O 2.64Å; L137-M182 HydrophobicContact CD1-CG 3.95Å; L155-M182 HydrophobicContact CB-SD 4.41Å; L155-M182 HydrophobicContact CD1-SD 4.4Å; Q160-M182 WeakPolarHBondContact O-CE 3.48Å; V161-M182 HydrophobicContact CB-SD 4.48Å; V161-M182 HydrophobicContact CG1-SD 4.49Å; V161-M182 HydrophobicContact CG2-CE 3.93Å; V161-M182 HydrophobicContact CG2-SD 4Å; I162-M182 VanDerWaalsContact CD1-O 3.27Å; I162-M182 WeakPolarHBondContact CD1-O 3.46Å; M182-K187 HydrophobicContact CB-CB 4.28Å; M182-K187 HydrophobicContact CE-CB 4.43Å; M182-I191 HydrophobicContact CE-CD1 3.58Å; M182-I191 HydrophobicContact CG-CD1 3.84Å; M182-I191 HydrophobicContact SD-CD1 3.57Å; M182-I191 VanDerWaalsContact SD-CD1 3.57Å
183E92.5Very high92.8Very high86 Ų8651.1 Ų51.140%0.40226%0.259SS..SBendtrans-61.5-35172.166.6-169.4153.900115G159 Q160 K187G159-E183 WeakPolarHBondContact CA-OE1 3.41Å; Q160-E183 HydrophobicContact CB-CB 4.27Å; Q160-E183 HydrophobicContact CB-CG 4.48Å; Q160-E183 WeakPolarHBondContact CB-OE2 3.04Å; Q160-E183 PolarHBondContact N-OE1 3.04Å; Q160-E183 PolarHBondContact O-N 3.06Å; E183-K187 HydrophobicContact CG-CG 3.82Å; E183-K187 WeakPolarHBondContact OE1-CE 3.48Å; E183-K187 IonicContact OE1-NZ 3.43Å
184S90.9Very high92.9Very high27 Ų2751.1 Ų51.119%0.18925%0.254CS..  trans-147.1151.9-175162.80000111.4E186 K187 C188S184-E186 PolarHBondContact O-N 3.13Å; S184-E186 PolarHBondContact OG-N 2.86Å; S184-E186 VanDerWaalsContact OG-N 3.14Å; S184-E186 PolarHBondContact OG-OE2 3.15Å; S184-K187 WeakPolarHBondContact O-CB 3.39Å; S184-K187 PolarHBondContact O-N 3.36Å; S184-C188 PolarHBondContact O-N 2.96Å
185T91.1Very high92.8Very high54 Ų5452 Ų5233%0.33126%0.257SS..Hα-helixtrans-58.8-35.2172.940.80000112.4P134 T135 K187 C188 E189P134-T185 HydrophobicContact CB-CG2 3.61Å; P134-T185 HydrophobicContact CG-CG2 3.97Å; T135-T185 HydrophobicContact CG2-CG2 4.23Å; T185-K187 PolarHBondContact O-N 3.49Å; T185-C188 WeakPolarHBondContact O-CA 3.33Å; T185-C188 VanDerWaalsContact O-CB 3.26Å; T185-C188 WeakPolarHBondContact O-CB 3.45Å; T185-C188 PolarHBondContact O-N 2.81Å; T185-E189 PolarHBondContact O-N 3.37Å
186E92.7Very high92.9Very high135 Ų13548.3 Ų48.363%0.63125%0.248SC*.Hα-helixtrans-63.5-35.3179.9-57.3152.515000110.7S184 E189 A190S184-E186 PolarHBondContact O-N 3.13Å; S184-E186 PolarHBondContact OG-N 2.86Å; S184-E186 VanDerWaalsContact OG-N 3.14Å; S184-E186 PolarHBondContact OG-OE2 3.15Å; E186-E189 PolarHBondContact O-N 2.95Å; E186-A190 PolarHBondContact O-N 2.79Å
187K94.1Very high92.8Very high69 Ų6950.5 Ų50.530%0.327%0.27SS..Hα-helixtrans-69.1-38.9174.4-53.9-54.3-163.1144.80111.2F158 M182 E183 S184 T185 A190 I191F158-K187 WeakPolarHBondContact O-CD 3.49Å; F158-K187 PolarHBondContact O-NZ 2.83Å; M182-K187 HydrophobicContact CB-CB 4.28Å; M182-K187 HydrophobicContact CE-CB 4.43Å; E183-K187 HydrophobicContact CG-CG 3.82Å; E183-K187 WeakPolarHBondContact OE1-CE 3.48Å; E183-K187 IonicContact OE1-NZ 3.43Å; S184-K187 WeakPolarHBondContact O-CB 3.39Å; S184-K187 PolarHBondContact O-N 3.36Å; T185-K187 PolarHBondContact O-N 3.49Å; K187-A190 PolarHBondContact O-N 2.82Å; K187-I191 WeakPolarHBondContact O-CB 3.45Å; K187-I191 WeakPolarHBondContact O-CD1 3.49Å; K187-I191 VanDerWaalsContact O-CG1 3.26Å; K187-I191 WeakPolarHBondContact O-CG1 3.45Å; K187-I191 PolarHBondContact O-N 3.4Å
188C92.4Very high92.6Very high0 Ų054.1 Ų54.10%028%0.284CS..Hα-helixtrans-60-45.2172.6-61.10000111.7T135 L137 S184 T185 I191 I192 F217T135-C188 VanDerWaalsContact CA-SG 3.5Å; T135-C188 PolarHBondContact O-SG 3.23Å; L137-C188 HydrophobicContact CD1-CB 4.5Å; L137-C188 HydrophobicContact CD2-CB 3.67Å; L137-C188 HydrophobicContact CG-CB 4.1Å; S184-C188 PolarHBondContact O-N 2.96Å; T185-C188 WeakPolarHBondContact O-CA 3.33Å; T185-C188 VanDerWaalsContact O-CB 3.26Å; T185-C188 WeakPolarHBondContact O-CB 3.45Å; T185-C188 PolarHBondContact O-N 2.81Å; C188-I191 PolarHBondContact O-N 2.83Å; C188-I192 WeakPolarHBondContact O-CB 3.41Å; C188-I192 WeakPolarHBondContact O-CD1 3.46Å; C188-I192 WeakPolarHBondContact O-CG1 3.37Å; C188-I192 PolarHBondContact O-N 3.04Å; C188-F217 HydrophobicContact CB-CD1 4.33Å; C188-F217 HydrophobicContact CB-CE1 3.5Å; C188-F217 VanDerWaalsContact CB-CE1 3.5Å; C188-F217 HydrophobicContact CB-CZ 3.94Å
189E93.1Very high92.1Very high110 Ų11061.2 Ų61.251%0.51431%0.312SS..Hα-helixtrans-64.1-41177.9-66.9-178.7173.200112.2T185 E186 I192 T193 F217T185-E189 PolarHBondContact O-N 3.37Å; E186-E189 PolarHBondContact O-N 2.95Å; E189-I192 PolarHBondContact O-N 3.06Å; E189-T193 VanDerWaalsContact O-CB 3.3Å; E189-T193 WeakPolarHBondContact O-CB 3.44Å; E189-T193 PolarHBondContact O-N 3.06Å; E189-T193 PolarHBondContact O-OG1 2.91Å; E189-F217 HydrophobicContact CG-CE2 4.22Å; E189-F217 HydrophobicContact CG-CZ 3.8Å
190A94Very high91.5Very high43 Ų4359.7 Ų59.736%0.35531%0.307SS..Hα-helixtrans-63-44173.400000112.3F158 E186 K187 T193 H194F158-A190 HydrophobicContact CD1-CB 4.39Å; E186-A190 PolarHBondContact O-N 2.79Å; K187-A190 PolarHBondContact O-N 2.82Å; A190-T193 PolarHBondContact O-N 3.2Å; A190-H194 VanDerWaalsContact O-CB 3.24Å; A190-H194 WeakPolarHBondContact O-CB 3.48Å; A190-H194 PolarHBondContact O-N 3.43Å
191I93.3Very high90.4Very high0 Ų069.4 Ų69.40%035%0.349CS..Hα-helixtrans-64.6-44.4176.8-74.1160.8000111.4L137 L155 F158 M182 K187 C188 H194 F195L137-I191 HydrophobicContact CD1-CB 4.05Å; L137-I191 HydrophobicContact CD1-CD1 4Å; L137-I191 HydrophobicContact CD1-CG2 3.57Å; L155-I191 HydrophobicContact CB-CD1 4.43Å; L155-I191 HydrophobicContact CD2-CD1 4.06Å; L155-I191 HydrophobicContact CD2-CG1 4.19Å; L155-I191 HydrophobicContact CD2-CG2 3.57Å; F158-I191 HydrophobicContact CB-CD1 3.94Å; F158-I191 HydrophobicContact CB-CG1 3.6Å; F158-I191 HydrophobicContact CD1-CG1 4.15Å; F158-I191 HydrophobicContact CD2-CG1 4.14Å; F158-I191 HydrophobicContact CG-CD1 4.48Å; F158-I191 HydrophobicContact CG-CG1 3.66Å; M182-I191 HydrophobicContact CE-CD1 3.58Å; M182-I191 HydrophobicContact CG-CD1 3.84Å; M182-I191 HydrophobicContact SD-CD1 3.57Å; M182-I191 VanDerWaalsContact SD-CD1 3.57Å; K187-I191 WeakPolarHBondContact O-CB 3.45Å; K187-I191 WeakPolarHBondContact O-CD1 3.49Å; K187-I191 VanDerWaalsContact O-CG1 3.26Å; K187-I191 WeakPolarHBondContact O-CG1 3.45Å; K187-I191 PolarHBondContact O-N 3.4Å; C188-I191 PolarHBondContact O-N 2.83Å; I191-H194 PolarHBondContact O-N 2.89Å; I191-F195 HydrophobicContact CG2-CD2 4.03Å; I191-F195 PolarHBondContact O-N 3.07Å
192I93.3Very high89.3Confident31 Ų3167.4 Ų67.416%0.15935%0.345CS..Hα-helixtrans-58.8-52.7175.5-72164000109.3L137 C188 E189 H194 N196 C215 F217L137-I192 HydrophobicContact CD2-CD1 3.67Å; L137-I192 HydrophobicContact CD2-CG1 3.68Å; C188-I192 WeakPolarHBondContact O-CB 3.41Å; C188-I192 WeakPolarHBondContact O-CD1 3.46Å; C188-I192 WeakPolarHBondContact O-CG1 3.37Å; C188-I192 PolarHBondContact O-N 3.04Å; E189-I192 PolarHBondContact O-N 3.06Å; I192-H194 VanDerWaalsContact C-N 3.26Å; I192-H194 PolarHBondContact O-N 2.93Å; I192-N196 HydrophobicContact CG2-CB 4.46Å; I192-N196 WeakPolarHBondContact O-CB 3.47Å; I192-N196 PolarHBondContact O-N 3.38Å; I192-C215 HydrophobicContact CG1-CB 4.33Å; I192-F217 HydrophobicContact CD1-CD2 3.73Å; I192-F217 HydrophobicContact CD1-CE1 4.49Å; I192-F217 HydrophobicContact CD1-CE2 3.65Å; I192-F217 HydrophobicContact CD1-CG 4.21Å; I192-F217 HydrophobicContact CD1-CZ 4.06Å
193T92.9Very high88Confident118 Ų11870.3 Ų70.372%0.72436%0.364SS*.Hα-helixtrans-61.9-34-179.9-53.80000112.2E189 A190E189-T193 VanDerWaalsContact O-CB 3.3Å; E189-T193 WeakPolarHBondContact O-CB 3.44Å; E189-T193 PolarHBondContact O-N 3.06Å; E189-T193 PolarHBondContact O-OG1 2.91Å; A190-T193 PolarHBondContact O-N 3.2Å
194H90.7Very high86.3Confident77 Ų7772.8 Ų72.836%0.35639%0.388SS..Hα-helixtrans-81.5-39.4-178.7-173.8-92.6000114F158 A190 I191 I192 K198F158-H194 HydrophobicContact CE1-CB 3.61Å; F158-H194 AromaticContact CE1-CG 3.68Å; F158-H194 HydrophobicContact CZ-CB 3.83Å; F158-H194 AromaticContact CZ-CE1 3.99Å; F158-H194 AromaticContact CZ-CG 3.43Å; F158-H194 VanDerWaalsContact CZ-CG 3.43Å; F158-H194 AromaticContact CZ-ND1 3.37Å; F158-H194 WeakPolarHBondContact CZ-ND1 3.39Å; A190-H194 VanDerWaalsContact O-CB 3.24Å; A190-H194 WeakPolarHBondContact O-CB 3.48Å; A190-H194 PolarHBondContact O-N 3.43Å; I191-H194 PolarHBondContact O-N 2.89Å; I192-H194 VanDerWaalsContact C-N 3.26Å; I192-H194 PolarHBondContact O-N 2.93Å; H194-K198 PolarHBondContact CD2-NZ 3.24Å; H194-K198 VanDerWaalsContact CD2-NZ 3.26Å; H194-K198 PolarHBondContact NE2-NZ 3.38Å; H194-K198 WeakPolarHBondContact O-CD 3.17Å; H194-K198 WeakPolarHBondContact O-CE 3.19Å; H194-K198 PolarHBondContact O-NZ 2.91Å
195F91.1Very high85Confident27 Ų2775.6 Ų75.612%0.11842%0.421CS..Hα-helixtrans-104.7-25.7-172-72.3-79.9000114.7M154 L155 F158 I191 G197 K198 L213M154-F195 HydrophobicContact CG-CD1 4.45Å; M154-F195 HydrophobicContact CG-CE1 3.56Å; M154-F195 HydrophobicContact CG-CE2 4.35Å; M154-F195 HydrophobicContact CG-CZ 3.49Å; M154-F195 VanDerWaalsContact CG-CZ 3.49Å; M154-F195 WeakPolarHBondContact O-CZ 3.24Å; M154-F195 HydrophobicContact SD-CD1 4.15Å; M154-F195 HydrophobicContact SD-CE1 3.73Å; M154-F195 HydrophobicContact SD-CZ 4.25Å; L155-F195 HydrophobicContact CD2-CE2 4.31Å; F158-F195 AromaticContact CD2-CE2 3.89Å; F158-F195 HydrophobicContact CD2-CE2 3.89Å; F158-F195 HydrophobicContact CE2-CD2 4.39Å; F158-F195 AromaticContact CE2-CE2 3.32Å; F158-F195 HydrophobicContact CE2-CE2 3.32Å; F158-F195 AromaticContact CE2-CZ 3.73Å; F158-F195 HydrophobicContact CE2-CZ 3.73Å; F158-F195 AromaticContact CZ-CE2 3.8Å; F158-F195 HydrophobicContact CZ-CE2 3.8Å; F158-F195 HydrophobicContact CZ-CZ 4.3Å; I191-F195 HydrophobicContact CG2-CD2 4.03Å; I191-F195 PolarHBondContact O-N 3.07Å; F195-G197 PolarHBondContact O-N 3.21Å; F195-K198 PolarHBondContact O-N 3.34Å; F195-L213 HydrophobicContact CB-CD1 4.34Å; F195-L213 HydrophobicContact CD1-CD1 4.06Å
196N92.9Very high84.1Confident74 Ų7474.9 Ų74.940%0.39642%0.416SS..THydrogen-bonded Turntrans-62.7125-179-172.664.4000110.8I192 K198 L213 L214 C215I192-N196 HydrophobicContact CG2-CB 4.46Å; I192-N196 WeakPolarHBondContact O-CB 3.47Å; I192-N196 PolarHBondContact O-N 3.38Å; N196-K198 VanDerWaalsContact C-N 3.35Å; N196-L213 WeakPolarHBondContact CA-O 3.44Å; N196-L214 WeakPolarHBondContact OD1-CA 3.41Å; N196-L214 WeakPolarHBondContact OD1-CD1 3.32Å; N196-C215 HydrophobicContact CB-CB 4.09Å; N196-C215 PolarHBondContact OD1-N 3.46Å; N196-C215 PolarHBondContact OD1-O 3.35Å
197G89.6Confident83Confident50 Ų5073.8 Ų73.852%0.51542%0.421SS..THydrogen-bonded Turntrans81.35.9-176.100000115.1F195 P212 L213F195-G197 PolarHBondContact O-N 3.21Å; G197-P212 VanDerWaalsContact C-CB 3.46Å; G197-P212 WeakPolarHBondContact O-CB 3.22Å; G197-L213 PolarHBondContact N-O 3.27Å
198K87.9Confident81.7Confident96 Ų9673.6 Ų73.642%0.41743%0.432SS..PPolyproline II helixtrans-103.5145.9174-65.9-166.7-171.9152.10112.6H194 F195 N196 L213H194-K198 PolarHBondContact CD2-NZ 3.24Å; H194-K198 VanDerWaalsContact CD2-NZ 3.26Å; H194-K198 PolarHBondContact NE2-NZ 3.38Å; H194-K198 WeakPolarHBondContact O-CD 3.17Å; H194-K198 WeakPolarHBondContact O-CE 3.19Å; H194-K198 PolarHBondContact O-NZ 2.91Å; F195-K198 PolarHBondContact O-N 3.34Å; N196-K198 VanDerWaalsContact C-N 3.35Å; K198-L213 WeakPolarHBondContact O-CB 3.45Å; K198-L213 WeakPolarHBondContact O-CG 3.32Å; K198-L213 PolarHBondContact O-N 3.4Å
199Y85.4Confident80.7Confident150 Ų15074.8 Ų74.859%0.58844%0.44SS*.PPolyproline II helixtrans-73.5137.8168.3-73.1-86.2000111.1S210 P212Y199-S210 VanDerWaalsContact CE1-O 3.29Å; Y199-S210 WeakPolarHBondContact CE1-O 2.91Å; Y199-S210 PolarHBondContact OH-O 2.94Å; Y199-P212 HydrophobicContact CD2-CB 4.4Å; Y199-P212 HydrophobicContact CE2-CB 4.22Å
200I82.1Confident79.7Confident26 Ų2674.1 Ų74.113%0.13345%0.448CS..PPolyproline II helixtrans-78.5144.8173.6-165.4169000110.7L142 P143 M146 M154 T202 P209 L213L142-I200 HydrophobicContact CD2-CD1 4.47Å; P143-I200 HydrophobicContact CG-CD1 4.2Å; P143-I200 HydrophobicContact CG-CG2 3.72Å; M146-I200 HydrophobicContact CE-CD1 3.73Å; M146-I200 HydrophobicContact SD-CD1 3.44Å; M146-I200 WeakPolarHBondContact SD-CD1 3.48Å; M154-I200 HydrophobicContact CE-CD1 4.27Å; M154-I200 HydrophobicContact SD-CD1 3.7Å; M154-I200 HydrophobicContact SD-CG1 4.1Å; I200-T202 HydrophobicContact CG2-CG2 4.32Å; I200-T202 PolarHBondContact O-N 3.31Å; I200-P209 HydrophobicContact CG2-CG 4.1Å; I200-L213 HydrophobicContact CB-CD1 4.07Å; I200-L213 HydrophobicContact CB-CD2 4.23Å; I200-L213 HydrophobicContact CB-CG 4.2Å; I200-L213 HydrophobicContact CG1-CD1 4.48Å
201K71.6Confident79.4Confident204 Ų20475.7 Ų75.789%0.88745%0.45SS*.  trans-85.7104.6171.4-64.3-176.1178.9-176.10108.8
202T68.6Low79.2Confident38 Ų3877.9 Ų77.923%0.23346%0.464CS..PPolyproline II helixtrans-77.5155.4172.649.20000111.7P143 I200 V206 A208P143-T202 HydrophobicContact CB-CG2 4Å; P143-T202 HydrophobicContact CG-CG2 3.57Å; I200-T202 HydrophobicContact CG2-CG2 4.32Å; I200-T202 PolarHBondContact O-N 3.31Å; T202-V206 HydrophobicContact CG2-CB 4.45Å; T202-V206 HydrophobicContact CG2-CG1 3.82Å; T202-V206 PolarHBondContact OG1-O 3.46Å; T202-A208 HydrophobicContact CG2-CB 4.41Å
203P67.1Low79.2Confident61 Ų6176.6 Ų76.640%0.39646%0.458SS..PPolyproline II helixtrans-60.7152168-22.534.1000112G205 V206P203-G205 PolarHBondContact O-N 3.18Å; P203-V206 HydrophobicContact CB-CG2 4.47Å; P203-V206 PolarHBondContact O-N 3.44Å; P203-V206 VanDerWaalsContact O-N 3.12Å
204P57.6Low79.2Confident139 Ų13974 Ų7490%0.90344%0.439SS*.THydrogen-bonded Turntrans-55126.1174.2-24.634.5000111.7
205G64.4Low79.3Confident85 Ų8570.5 Ų70.588%0.87642%0.423SS*.THydrogen-bonded Turntrans98.7-13-178.200000115.4P203P203-G205 PolarHBondContact O-N 3.18Å
206V72.3Confident79.3Confident39 Ų3973.5 Ų73.524%0.23644%0.436CS..SBendtrans-89.7128.4173171.20000110.2P143 S145 T202 P203 A208P143-V206 HydrophobicContact CB-CG1 4.4Å; S145-V206 VanDerWaalsContact OG-CG1 3.22Å; S145-V206 WeakPolarHBondContact OG-CG1 3.35Å; T202-V206 HydrophobicContact CG2-CB 4.45Å; T202-V206 HydrophobicContact CG2-CG1 3.82Å; T202-V206 PolarHBondContact OG1-O 3.46Å; P203-V206 HydrophobicContact CB-CG2 4.47Å; P203-V206 PolarHBondContact O-N 3.44Å; P203-V206 VanDerWaalsContact O-N 3.12Å; V206-A208 PolarHBondContact O-N 2.89Å
207P67.9Low79.3Confident113 Ų11372.8 Ų72.873%0.73443%0.429SS*.PPolyproline II helixtrans-63.3120.2174.926.5-33.6000110.5
208A67.3Low79.1Confident64 Ų6471.7 Ų71.753%0.52942%0.415SS..PPolyproline II helixtrans-68143.3176.600000111T202 V206T202-A208 HydrophobicContact CG2-CB 4.41Å; V206-A208 PolarHBondContact O-N 2.89Å
209P70.7Confident78.4Confident26 Ų2669.8 Ų69.817%0.16941%0.41CS..PPolyproline II helixtrans-55137.6169.5-25.735.1000112.1N141 P143 I200 D211N141-P209 WeakPolarHBondContact O-CB 3.27Å; N141-P209 VanDerWaalsContact O-CG 3.31Å; N141-P209 WeakPolarHBondContact O-CG 3.35Å; P143-P209 HydrophobicContact CB-CG 4.39Å; P143-P209 HydrophobicContact CG-CG 4.07Å; I200-P209 HydrophobicContact CG2-CG 4.1Å; P209-D211 PolarHBondContact O-N 3.33Å
210S74Confident77Confident96 Ų9664.3 Ų64.367%0.67140%0.399SS*.SBendtrans-64.4-25.5172.552.30000113Y199Y199-S210 VanDerWaalsContact CE1-O 3.29Å; Y199-S210 WeakPolarHBondContact CE1-O 2.91Å; Y199-S210 PolarHBondContact OH-O 2.94Å
211D86.6Confident75.5Confident75 Ų7565.3 Ų65.340%0.40142%0.415SS..SBendtrans-108.5146.5-171.3-50.2-11.2000109.7N141 P209N141-D211 HydrophobicContact CB-CB 4.17Å; N141-D211 WeakPolarHBondContact ND2-CB 3.49Å; N141-D211 PolarHBondContact ND2-OD2 2.96Å; P209-D211 PolarHBondContact O-N 3.33Å
212P90.2Very high74.4Confident47 Ų4761.6 Ų61.631%0.30541%0.412SS..  trans-68156.8171.230.3-35000111.7N141 G197 Y199 L214N141-P212 WeakPolarHBondContact CB-O 3.46Å; G197-P212 VanDerWaalsContact C-CB 3.46Å; G197-P212 WeakPolarHBondContact O-CB 3.22Å; Y199-P212 HydrophobicContact CD2-CB 4.4Å; Y199-P212 HydrophobicContact CE2-CB 4.22Å; P212-L214 PolarHBondContact O-N 3.03Å
213L92.6Very high73.5Confident4 Ų467.6 Ų67.62%0.02144%0.435CS..  trans-58.9134.6175-65.7178.6000111.5L142 M154 F195 N196 G197 K198 I200L142-L213 HydrophobicContact CD2-CD2 3.79Å; L142-L213 HydrophobicContact CG-CD2 4.47Å; M154-L213 HydrophobicContact CE-CD1 4.32Å; M154-L213 HydrophobicContact SD-CD1 4.27Å; F195-L213 HydrophobicContact CB-CD1 4.34Å; F195-L213 HydrophobicContact CD1-CD1 4.06Å; N196-L213 WeakPolarHBondContact CA-O 3.44Å; G197-L213 PolarHBondContact N-O 3.27Å; K198-L213 WeakPolarHBondContact O-CB 3.45Å; K198-L213 WeakPolarHBondContact O-CG 3.32Å; K198-L213 PolarHBondContact O-N 3.4Å; I200-L213 HydrophobicContact CB-CD1 4.07Å; I200-L213 HydrophobicContact CB-CD2 4.23Å; I200-L213 HydrophobicContact CB-CG 4.2Å; I200-L213 HydrophobicContact CG1-CD1 4.48Å
214L91.8Very high72.5Confident63 Ų6374.2 Ų74.233%0.3346%0.458SS..EExtended strand (participates in β ladder)trans-104.9105.1170.9172.261.8000109.3I139 S140 N196 P212I139-L214 CarbonylContact C-O 3.59Å; I139-L214 WeakPolarHBondContact CA-O 3.41Å; S140-L214 PolarHBondContact N-O 3.41Å; S140-L214 PolarHBondContact O-N 3.46Å; S140-L214 WeakPolarHBondContact OG-CB 3.44Å; N196-L214 WeakPolarHBondContact OD1-CA 3.41Å; N196-L214 WeakPolarHBondContact OD1-CD1 3.32Å; P212-L214 PolarHBondContact O-N 3.03Å
215C93.3Very high72.1Confident3 Ų374.3 Ų74.32%0.0244%0.44CS..EExtended strand (participates in β ladder)trans-108.7128.5178.4-63.80000110.4I192 N196I192-C215 HydrophobicContact CG1-CB 4.33Å; N196-C215 HydrophobicContact CB-CB 4.09Å; N196-C215 PolarHBondContact OD1-N 3.46Å; N196-C215 PolarHBondContact OD1-O 3.35Å
216K92.4Very high71Confident90 Ų9078.8 Ų78.839%0.39144%0.438SS..EExtended strand (participates in β ladder)trans-157.8171178.663-170.5178.6-155.10111.2L137 Y138L137-K216 CarbonylContact C-O 3.59Å; L137-K216 WeakPolarHBondContact CA-O 3.41Å; Y138-K216 HydrophobicContact CD1-CD 4.27Å; Y138-K216 HydrophobicContact CD1-CG 4.02Å; Y138-K216 PolarHBondContact N-O 3.28Å; Y138-K216 PolarHBondContact O-N 2.9Å; Y138-K216 VanDerWaalsContact O-O 3.1Å
217F92.6Very high69.5Low59 Ų5982.3 Ų82.326%0.25946%0.456SS..EExtended strand (participates in β ladder)trans-63.6136.5168.3-67.1-78.4000111.6P134 C188 E189 I192P134-F217 VanDerWaalsContact O-CD1 3.31Å; P134-F217 WeakPolarHBondContact O-CD1 3.49Å; P134-F217 WeakPolarHBondContact O-CE1 3.46Å; C188-F217 HydrophobicContact CB-CD1 4.33Å; C188-F217 HydrophobicContact CB-CE1 3.5Å; C188-F217 VanDerWaalsContact CB-CE1 3.5Å; C188-F217 HydrophobicContact CB-CZ 3.94Å; E189-F217 HydrophobicContact CG-CE2 4.22Å; E189-F217 HydrophobicContact CG-CZ 3.8Å; I192-F217 HydrophobicContact CD1-CD2 3.73Å; I192-F217 HydrophobicContact CD1-CE1 4.49Å; I192-F217 HydrophobicContact CD1-CE2 3.65Å; I192-F217 HydrophobicContact CD1-CG 4.21Å; I192-F217 HydrophobicContact CD1-CZ 4.06Å
218A85.1Confident68.3Low27 Ų2785.6 Ų85.622%0.22346%0.461CS..SBendtrans-70.9-57.5-173.700000112.8N136 F179 G220N136-A218 HydrophobicContact CB-CB 4.16Å; N136-A218 WeakPolarHBondContact O-CB 3.5Å; N136-A218 PolarHBondContact O-N 3.39Å; F179-A218 HydrophobicContact CD1-CB 3.69Å; F179-A218 HydrophobicContact CE1-CB 3.74Å; A218-G220 PolarHBondContact O-N 3.11Å
219D71.9Confident67.5Low57 Ų5785 Ų8531%0.30546%0.462SS..SBendtrans-75.2102.2164.7-107.8-75.8000107.4Q132 G221Q132-D219 HydrophobicContact CG-CB 4.44Å; Q132-D219 PolarHBondContact NE2-OD1 3.03Å; D219-G221 PolarHBondContact O-N 3.37Å; D219-G221 VanDerWaalsContact O-N 3.07Å
220G56.8Low66Low35 Ų3592.4 Ų92.436%0.36149%0.491SS..  trans-50.1118.9-173.400000111.4A218A218-G220 PolarHBondContact O-N 3.11Å
221G50.3Low64.3Low46 Ų4697.6 Ų97.647%0.47450%0.502SS..SBendtrans-46.5154.7-155.300000116.5D219 K223D219-G221 PolarHBondContact O-N 3.37Å; D219-G221 VanDerWaalsContact O-N 3.07Å; G221-K223 PolarHBondContact O-N 3.47Å
222P48.5Very low62Low126 Ų12699.6 Ų99.682%0.81852%0.517SS*.  trans-37.398.2-149.211.5-29.7000112.8K224P222-K224 PolarHBondContact O-N 2.85Å
223K50.4Low59.6Low164 Ų164105.5 Ų105.571%0.71354%0.54SS*.  trans-65.887.4178.3-78.5177.6-178.3166.90108.9G221 R225G221-K223 PolarHBondContact O-N 3.47Å; K223-R225 PolarHBondContact O-N 3.06Å
224K45.6Very low56.9Low201 Ų201112.6 Ų112.687%0.87458%0.578SS**  trans-46.1101.5170.7-166.1175.7-169.9175.80106.8P222 Q226P222-K224 PolarHBondContact O-N 2.85Å; K224-Q226 VanDerWaalsContact C-N 3.29Å; K224-Q226 PolarHBondContact O-N 3.48Å
225R49.3Very low54.6Low140 Ų140113 Ų11353%0.52860%0.597SS.*  trans-60.494.1-173.5-88.6172.166.3-173.66.3107.6D103 K223 N227D103-R225 IonicContact OD2-NH2 2.91Å; K223-R225 PolarHBondContact O-N 3.06Å; R225-N227 PolarHBondContact O-N 3.05Å
226Q41.2Very low51.7Low179 Ų179124.5 Ų124.584%0.83664%0.64SS**  trans-67.394.9168.2-170.4176.822.800105.6K224 Q228K224-Q226 VanDerWaalsContact C-N 3.29Å; K224-Q226 PolarHBondContact O-N 3.48Å; Q226-Q228 PolarHBondContact O-N 3.02Å
227N40.3Very low48.9Very low114 Ų114125 Ų12561%0.6166%0.661SS**  trans-65.4104.3-167.1-172.417000109R225 G229R225-N227 PolarHBondContact O-N 3.05Å; N227-G229 PolarHBondContact O-N 2.93Å; N227-G229 PolarHBondContact OD1-N 3.43Å
228Q43Very low46.2Very low181 Ų181134 Ų13485%0.84669%0.694SS**  trans-73.531.7173.4-66.2-167.22.300112.2Q226 K230Q226-Q228 PolarHBondContact O-N 3.02Å; Q228-K230 PolarHBondContact O-N 3.37Å
229G51.2Low44Very low53 Ų53138.3 Ų138.355%0.54672%0.719SS.*  trans-74.752.5169.200000112.3N227N227-G229 PolarHBondContact O-N 2.93Å; N227-G229 PolarHBondContact OD1-N 3.43Å
230K39.5Very low42.3Very low181 Ų181147.3 Ų147.379%0.78775%0.749SS**  trans-143.967.7172.2-77.5-157.2176.9-172.20111.4Q228 V232Q228-K230 PolarHBondContact O-N 3.37Å; K230-V232 VanDerWaalsContact C-N 3.27Å; K230-V232 HydrophobicContact CB-CG2 4.2Å; K230-V232 HydrophobicContact CD-CG2 4.49Å; K230-V232 PolarHBondContact O-N 3.23Å
231F37.5Very low41.2Very low205 Ų205153.3 Ų153.390%0.89977%0.773SS**  trans-64.794.7149-93-92.1000107.8
232V39.6Very low40.4Very low116 Ų116154.3 Ų154.370%0.70378%0.783SS**  trans-95.4121171.6173.80000108.1K230K230-V232 VanDerWaalsContact C-N 3.27Å; K230-V232 HydrophobicContact CB-CG2 4.2Å; K230-V232 HydrophobicContact CD-CG2 4.49Å; K230-V232 PolarHBondContact O-N 3.23Å
233Q39.2Very low39.8Very low172 Ų172155.2 Ų155.280%0.80478%0.781SS**  trans-67.8147.9173.2-165.2174.840.900110
234N35.1Very low39.2Very low153 Ų153155.9 Ų155.982%0.81879%0.789SS**SBendtrans64.796.5178.1-66.20000117.8
235G43.9Very low39.1Very low70 Ų70150 Ų15072%0.72279%0.785SS**  80.178.5114.400000119.4
236R32.4Very low38.6Very low246 Ų246147 Ų14793%0.92880%0.798SS**  trans-168.5126.4131.2-101.1156.6-152-91.22.1109.4
237A34.1Very low39Very low101 Ų101148.2 Ų148.284%0.83581%0.806SS**  trans-86.2137176.200000110.5
238W35.4Very low38.8Very low247 Ų247147.5 Ų147.594%0.93682%0.816SS**  trans-86128.4161.6-7492.6000108.5R240W238-R240 PolarHBondContact O-N 3.02Å
239P39.7Very low38.6Very low118 Ų118147.4 Ų147.477%0.76682%0.821SS**  trans-70.9113.9-179.528.1-33.2000110.2N241P239-N241 PolarHBondContact O-N 3.19Å
240R35.7Very low37.8Very low246 Ų246151.6 Ų151.693%0.92884%0.835SS**  trans-81.8102.2166.6-173.3176.4-174171.50.9107.5W238W238-R240 PolarHBondContact O-N 3.02Å
241N33.8Very low37.7Very low161 Ų161152.2 Ų152.286%0.86183%0.834SS**  trans-63.7147.9-171.5-157.317.5000112.3P239P239-N241 PolarHBondContact O-N 3.19Å
242G32.8Very low37.6Very low67 Ų67147.3 Ų147.369%0.69182%0.818SS**  trans-160.270.1-170.100000112.2
243D37.1Very low37.7Very low145 Ų145147.4 Ų147.478%0.77582%0.82SS**  trans31.9110.4163.5-148.5-91.4000120.4
244M36.8Very low38Very low178 Ų178144.2 Ų144.288%0.87781%0.813SS**  trans-161.9117.7135.4-171.866.878.200110.2
245G44Very low38.4Very low76 Ų76142.7 Ų142.778%0.78481%0.809SS**  trans5192156.100000119.6
246G37.8Very low38.2Very low78 Ų78144 Ų14480%0.80481%0.813SS**  trans-152.7124.6166.800000112.4
247M49.3Very low38.8Very low204 Ų204140.6 Ų140.6100%1.00581%0.812SS**  trans-82.3128.1-178.1-56.5170-157.900110.6
248A36.2Very low38.9Very low100 Ų100143.9 Ų143.983%0.82681%0.811SS**  trans-136111.7172.800000109.9
249L39Very low38.9Very low179 Ų179139 Ų13994%0.93780%0.803SS**  trans-74.8145.6173.7-68.6170.2000110.1
250T34.8Very low38.6Very low140 Ų140137.1 Ų137.186%0.85981%0.805SS**  trans-75.4145.1166.664.70000108.7
251Y37.1Very low38.4Very low195 Ų195135.6 Ų135.677%0.76581%0.805SS**  trans-139.7123.7166.9-168.1-100.6000109.8
252D36.9Very low38.4Very low102 Ų102138.2 Ų138.255%0.54581%0.805SS.*  trans-96.2118.4-178.5-175.8-27000109T254D252-T254 PolarHBondContact O-N 3.22Å; D252-T254 VanDerWaalsContact O-N 3.09Å; D252-T254 WeakPolarHBondContact OD1-CB 3.39Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.43Å; D252-T254 PolarHBondContact OD1-N 3.43Å; D252-T254 PolarHBondContact OD1-OG1 3.31Å
253P41.5Very low39.2Very low117 Ų117140.8 Ų140.876%0.7681%0.81SS**THydrogen-bonded Turntrans-84.734.8-17336.7-37.6000113.6
254T44.8Very low39.4Very low106 Ų106137.7 Ų137.765%0.6580%0.804SS**THydrogen-bonded Turntrans-116.26.9-174.262.60000116.5D252D252-T254 PolarHBondContact O-N 3.22Å; D252-T254 VanDerWaalsContact O-N 3.09Å; D252-T254 WeakPolarHBondContact OD1-CB 3.39Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.43Å; D252-T254 PolarHBondContact OD1-N 3.43Å; D252-T254 PolarHBondContact OD1-OG1 3.31Å
255T43Very low39.7Very low120 Ų120134.5 Ų134.574%0.73680%0.796SS**  trans-136.678.8179.346.50000115.4
256A41Very low39.4Very low98 Ų98141.1 Ų141.181%0.8180%0.799SS**  trans-162.9112.6152.700000113
257L44.6Very low39.1Very low174 Ų174144.2 Ų144.291%0.91180%0.797SS**  trans-97.8125.4156.7-79167.7000108.1
258Q35.8Very low38.5Very low170 Ų170141.7 Ų141.779%0.79479%0.787SS**  159.5144.2127.1-89.6-172.37.600114.1
259N34.6Very low38.6Very low145 Ų145142.4 Ų142.478%0.77578%0.781SS**  trans51.196.7144.9-60.6-35.1000120.5
260G34Very low39.2Very low79 Ų79139 Ų13981%0.81477%0.769SS**  120.1138.9113.800000119.9
261F31.5Very low39.5Very low213 Ų213139.7 Ų139.793%0.93477%0.768SS**  trans77.6150.7161.4-121.6-105.9000120
262Y34.2Very low39.5Very low217 Ų217140.6 Ų140.685%0.85177%0.77SS**  trans-106.3175.3-170.4-87.1-94.5000110.9
263P49.9Very low39.4Very low121 Ų121141.8 Ų141.879%0.78677%0.774SS**  cis-131.9-178.312.433.4-11000117
264A40.8Very low39.2Very low80 Ų80143.8 Ų143.866%0.66178%0.777SS**  trans-88.5179.1177.300000113.6
265P42.9Very low38.6Very low110 Ų110142.4 Ų142.471%0.71478%0.776SS**  -134137.510810.611.1000116.7
266Y37.2Very low38.1Very low215 Ų215145.9 Ų145.984%0.84378%0.784SS**  trans45.4116.1147.6-53.7-65.4000123.1
267N32.8Very low37.7Very low143 Ų143146.3 Ų146.377%0.76578%0.781SS**  trans-115.2150.8147.3-178.77.4000107.8
268I37Very low37.3Very low152 Ų152142.3 Ų142.378%0.77977%0.773SS**  trans-131.4128.4175.8-61.4-177.4000110.7
269T37.5Very low37.3Very low115 Ų115142.4 Ų142.471%0.70678%0.778SS**  trans-109151.4-169-57.10000111
270P51Low37.2Very low106 Ų106140.8 Ų140.869%0.68878%0.778SS**  trans-88159.9-17433.4-37.4000116.9
271N42Very low38.1Very low155 Ų155142.4 Ų142.483%0.82977%0.774SS**  trans69.9119.1158.1-74.9-46000121.6
272R36.7Very low38.2Very low214 Ų214142.3 Ų142.381%0.80877%0.769SS**  175.1134.7103.5-100.3-169.5161.4-148.70.7116.8
273M33.9Very low38.2Very low128 Ų128138.8 Ų138.863%0.63176%0.764SS**  trans73.9125.3137.6-63.3176.6103.700125.1
274L38Very low37.3Very low159 Ų159138.5 Ų138.583%0.83277%0.765SS**  trans71.8146.5139.3-68.6172.1000120
275A32.9Very low37Very low76 Ų76139.9 Ų139.963%0.62877%0.77SS**  cis-159166.6-2.200000113.8
276Q31.7Very low37.5Very low194 Ų194139.8 Ų139.891%0.90777%0.769SS**  trans65.3150.1160.7-72.6178.817.200118.5
277S33.2Very low37.2Very low106 Ų106135.8 Ų135.874%0.74177%0.767SS**  cis-156.6153.3-4.3440000113.4
278A35.5Very low37.9Very low90 Ų90134.5 Ų134.574%0.74477%0.769SS**  trans44.5117.6155.100000122.1
279L35.6Very low37.7Very low173 Ų173132.4 Ų132.491%0.90677%0.768SS**  -178.715299.9-91173.5000111.2
280S33.8Very low37.5Very low111 Ų111136.7 Ų136.778%0.77677%0.773SS**  trans-128.9156.3179.6-46.20000109.2
281P52.8Low36.6Very low112 Ų112138.1 Ų138.173%0.72777%0.77SS**  -148.5153.37530.6-8.4000118.2
282Y32.2Very low36.2Very low211 Ų211140 Ų14083%0.82777%0.766SS**  trans52.8119146.8-74.2-115.2000120.4
283L35.1Very low36Very low144 Ų144135.7 Ų135.775%0.75476%0.763SS**  74104.268.1-85.8158.6000116
284S30.6Very low35.9Very low115 Ų115135.3 Ų135.380%0.80477%0.768SS**  165.6135.2111.9-71.30000114.7
285S35.4Very low35.6Very low109 Ų109135.4 Ų135.476%0.76276%0.764SS**  trans-81.6161.6150.3-159.60000107.2
286P52.7Low35.8Very low108 Ų108138.6 Ų138.670%0.70178%0.776SS**  cis-164.3-159.646.845.7-20.8000118.8
287V31.9Very low36.2Very low130 Ų130134 Ų13479%0.78877%0.765SS**  trans82.9150.9147.6159.20000119.8
288S47.6Very low37.3Very low117 Ų117134.3 Ų134.382%0.81877%0.765SS**  trans-127144.1174.3168.40000109.4
289S32.2Very low37.2Very low108 Ų108136.9 Ų136.976%0.75577%0.765SS**  trans-155.4156-17861.30000115.6
290Y33.4Very low37.1Very low205 Ų205137 Ų13780%0.80476%0.761SS**  trans-59.7175.7165.8-80.3-161.4000112.9
291Q32.3Very low37.3Very low135 Ų135138.2 Ų138.263%0.63176%0.764SS**  cis-162.1-174.312.9-138165.46.500113.8
292R33.1Very low37.1Very low196 Ų196138.6 Ų138.674%0.7477%0.766SS**  trans-18.3159.7153.4-75.6-175.4-70.9-153.6-2.9117.8
293V31.8Very low37.1Very low123 Ų123134.7 Ų134.775%0.74576%0.759SS**  cis-144.3-154.114.1-124.50000109.8
294T33.3Very low37.9Very low119 Ų119132.9 Ų132.973%0.7376%0.756SS**  cis-153.6132.210-25.30000115.2
295Q30.6Very low38.2Very low161 Ų161132 Ų13275%0.75275%0.75SS**  trans-2133.2146.2-156.7-159.8142.600123.1
296T36.9Very low38.1Very low144 Ų144138.5 Ų138.588%0.88376%0.758SS**  trans-150.4156.1137.2400000110.1
297S39.4Very low37.3Very low97 Ų97140.3 Ų140.368%0.67876%0.759SS**  trans-142.1-172.7-170.1-43.30000110.2
298P58Low37.4Very low112 Ų112140.9 Ų140.973%0.72775%0.753SS**  cis-133.7-179.7-12.141.4-25.4000114.3
299L32.5Very low36.8Very low145 Ų145144.2 Ų144.276%0.75976%0.755SS**  -178.6141.2121.2-98.9165.5000114.4
300Q34.5Very low36.8Very low175 Ų175144.9 Ų144.982%0.81875%0.746SS**  trans68.6148.1156-77.3162.3-11.900122.4
301V37Very low36.7Very low137 Ų137141 Ų14183%0.8375%0.748SS**  trans-134.2174.4-172.3-77.10000107.1
302P48.4Very low36.9Very low120 Ų120144.2 Ų144.278%0.77976%0.756SS**  cis-136.3-178.111.842.4-23.8000116.7
303N32.9Very low37Very low128 Ų128141.5 Ų141.568%0.68476%0.756SS**  trans-77.6156161.3-173.643.3000110.5
304P50.6Low37Very low107 Ų107142.9 Ų142.970%0.69576%0.756SS**  -143.4155.4107.738.5-25.6000115.6
305S37.1Very low37.3Very low95 Ų95143.6 Ų143.666%0.66475%0.751SS**  trans-69.3154.7172.9-42.10000113
306W34.4Very low38Very low246 Ų246141.9 Ų141.993%0.93275%0.754SS**  trans-135.5162.8161.5-111.576.4000112.3
307M35.7Very low38Very low146 Ų146139.9 Ų139.972%0.71975%0.746SS**  trans-117.9165.2-164-75.1170.15900113.4
308H34.5Very low37.7Very low143 Ų143138.7 Ų138.766%0.66275%0.749SS**  trans25.7130.3151.9-67.894.4000120H310H308-H310 AromaticContact CD2-NE2 3.77Å
309H34.6Very low36.6Very low187 Ų187138.8 Ų138.887%0.86675%0.752SS**  trans-123.1139145.8-149.1-81.7000110.6
310H32Very low36.7Very low122 Ų122138 Ų13857%0.56575%0.753SS**  trans-104.5165.7177.2-69.4-122.6000109.9H308 Y312H308-H310 AromaticContact CD2-NE2 3.77Å; H310-Y312 HydrophobicContact CB-CD2 4.49Å
311S31.2Very low36.7Very low122 Ų122137.4 Ų137.485%0.85376%0.755SS**  trans-121.1117.6172-62.90000110.8
312Y36.4Very low36.6Very low203 Ų203137 Ų13780%0.79675%0.753SS**  trans-153.9153.5178.6-80.9-55.3000105.9H310H310-Y312 HydrophobicContact CB-CD2 4.49Å
313L34.7Very low37.1Very low140 Ų140137.5 Ų137.573%0.73376%0.756SS**  cis-160175.3-4.7-135162.3000107.1
314M32.5Very low37.1Very low151 Ų151134.7 Ų134.774%0.74476%0.757SS**  trans147.1134.4152.2-79.1-92.2148.900108.7
315Q39.2Very low36.3Very low134 Ų134138.2 Ų138.263%0.62677%0.767SS**  cis-160.4161.3-11.6-139.4-178.718.600108.2
316P46.2Very low36Very low125 Ų125140.5 Ų140.581%0.81277%0.771SS**  trans-131.9158142.437.7-28.9000112.8
317S35.4Very low36.3Very low102 Ų102136.7 Ų136.771%0.71376%0.764SS**  trans-131109-164.8-570000114.1
318G34.3Very low37Very low73 Ų73135.1 Ų135.175%0.75376%0.764SS**  trans70.3170.6162.100000117.9
319S34Very low37.2Very low114 Ų114135.8 Ų135.880%0.79777%0.771SS**  cis-161.8135.3-19.8-93.10000111.5
320V34.2Very low37.4Very low129 Ų129131.6 Ų131.678%0.78276%0.763SS**  trans20.2126.4149.1-162.70000120.1
321L35.7Very low37.7Very low162 Ų162133.7 Ų133.785%0.84878%0.777SS**  173.6153.7121.5-92.9171000114.5
322T34.8Very low38.1Very low129 Ų129135.7 Ų135.779%0.79177%0.773SS**  trans-147.2172.4168.454.70000107.9
323P58.5Low38.7Very low129 Ų129131.2 Ų131.284%0.83877%0.769SS**  cis-126.9-166.5-143.2-27.3000113.9
324G32.3Very low38.9Very low69 Ų69128.4 Ų128.471%0.71177%0.766SS**  trans-174.4145168.100000115.2
325M35Very low39.1Very low181 Ų181125.3 Ų125.389%0.89276%0.759SS**  trans-65.7165.4176.3-69.370.5165.600112.1
326D29.9Very low39Very low143 Ų143127.4 Ų127.477%0.76577%0.771SS**  cis-165.3-176.643.2-169.7-134.2000114.1
327H42.1Very low38.7Very low166 Ų166130.3 Ų130.377%0.76978%0.776SS**  trans-134.5140.2179-74-19.6000114.7
328P50.2Low39Very low113 Ų113128.8 Ų128.873%0.73478%0.776SS**  -123.3138.4122.8-2.523.9000112
329I38.8Very low40.4Very low158 Ų158131 Ų13181%0.8178%0.778SS**  63.8125.375.7-65.2171.8000111.4
330S37.5Very low40.5Very low98 Ų98132.9 Ų132.969%0.68578%0.778SS**  cis-158.8170.8-1.1-134.60000108
331L40Very low40.6Very low167 Ų167132.3 Ų132.387%0.87478%0.775SS**  cis-142.1156.528.8-96.1108.8000113.8
332Q39.3Very low41Very low163 Ų163131.9 Ų131.976%0.76277%0.768SS**  trans-74.1-171.1161.2-75.6-92.5-4200111.1
333P47.6Very low41.4Very low110 Ų110132.5 Ų132.571%0.71476%0.762SS**  cis-124.8151.9-4.74.823.4000114.3
334A39.2Very low40.3Very low80 Ų80134 Ų13466%0.66176%0.763SS**  85.4148.693.200000115.6
335S37.6Very low40.6Very low86 Ų86134.5 Ų134.560%0.60177%0.767SS**  cis-165.6135.9-9.7-107.70000114.8
336M35.8Very low40.8Very low178 Ų178134 Ų13488%0.87776%0.763SS**  trans60.5174134.8-44.9-28.717000121.6
337M40.5Very low41.2Very low186 Ų186133.7 Ų133.792%0.91676%0.76SS**  trans-146.5133.3-160.7168.4155.952.700114.3
338G42.1Very low40.8Very low70 Ų70130.6 Ų130.672%0.72276%0.757SS**  trans75.6-179.6164.800000117
339P64Low40.2Very low120 Ų120133 Ų13378%0.77976%0.763SS**  cis-137.6-169.5-15.239.4-20.5000114.8
340L35.6Very low39.7Very low154 Ų154129.7 Ų129.781%0.80675%0.754SS**  trans86.6111.2148.7-12780000123.5
341T36.6Very low39.5Very low117 Ų117130.7 Ų130.772%0.71876%0.761SS**  trans67.6155.5131.7-150.40000126
342Q44.3Very low39.3Very low152 Ų152129.8 Ų129.871%0.7176%0.762SS**  trans68.7150.7164.6-76.5-149.685.600121.2
343Q42.2Very low39Very low142 Ų142125.7 Ų125.766%0.66476%0.764SS**  cis-168158.5-30.9-149.1177.6-120.900112.3
344L36.8Very low38.5Very low162 Ų162127.1 Ų127.185%0.84877%0.771SS**  trans71.9139.5163-55-178.7000119.9
345G36.9Very low38.2Very low78 Ų78133.1 Ų133.180%0.80478%0.778SS**  trans179.231.3-176.500000119.9
346H39.5Very low38.1Very low172 Ų172136.8 Ų136.880%0.79679%0.787SS**  trans62.5103.1159.5-155.6-88.2000122.3
347L38.7Very low38Very low136 Ų136136 Ų13671%0.71278%0.782SS**  trans39.1104.4141.7-68.4164.6000123
348S34.1Very low37.4Very low100 Ų100133.3 Ų133.370%0.69978%0.776SS**  40.7137.2111.4-66.30000124.8
349L36.7Very low36.9Very low163 Ų163134.9 Ų134.985%0.85378%0.782SS**  trans71.4155.4152.8-62.2162.4000118.2
350S28.8Very low35.3Very low89 Ų89134.1 Ų134.162%0.62279%0.786SS**  cis-174.4157.6-33.557.60000111.4
351S33.9Very low35.2Very low119 Ų119131.4 Ų131.483%0.83279%0.785SS**  trans81.4152.5151.9-560000120.5
352T35.4Very low35.2Very low148 Ų148133.2 Ų133.291%0.90879%0.787SS**  trans-82153.4-176.349.70000114.5
353G32Very low34.8Very low78 Ų78134.8 Ų134.880%0.80480%0.795SS**  trans-170.8132.8162.800000113.8
354T37.5Very low34.4Very low139 Ų139131.9 Ų131.985%0.85380%0.803SS**  trans-111.6136.6178.2-54.80000110.3
355Y32.8Very low34.2Very low207 Ų207129.3 Ų129.381%0.81281%0.805SS**  trans-154.5161.4162.4-145.7-96.8000112.5
356M36.6Very low33.9Very low162 Ų162135.5 Ų135.580%0.79881%0.806SS**  trans-126.4139.1179.7-63.4171.765.400110.7
357Q32.8Very low34Very low163 Ų163134.9 Ų134.976%0.76281%0.807SS**  trans-156.2111.8155.9-152.676.443.900113.4
358T27.9Very low33.5Very low129 Ų129132.6 Ų132.679%0.79180%0.802SS**  trans-3.9127148.7-41.40000120.9
359A31.4Very low33.6Very low103 Ų103136.6 Ų136.685%0.85181%0.81SS**  -176.6156.5126.500000112
360A31.3Very low33.5Very low104 Ų104139.3 Ų139.386%0.8681%0.81SS**  trans-95.5149.1-167.600000115.7
361A32.8Very low34Very low96 Ų96141.6 Ų141.679%0.79382%0.821SS**  trans-167.9139.2141.400000113.9
362M37.2Very low34.5Very low155 Ų155141.3 Ų141.376%0.76482%0.816SS**  trans51.3121.6145-65.8-64149.800123.7
363Q34.8Very low34.9Very low186 Ų186140.9 Ų140.987%0.86981%0.813SS**  trans53135130.9-65.1178.7-22.400122
364G33.8Very low35.9Very low81 Ų81143.1 Ų143.184%0.83581%0.813SS**  trans124.176.1158.600000115.1
365A32.8Very low35.6Very low108 Ų108142.6 Ų142.689%0.89382%0.815SS**  trans-85.5121.6174.200000111.4
366Y31.9Very low35.9Very low207 Ų207138.6 Ų138.681%0.81282%0.818SS**  trans-128.9117.4169.4-171.1-87.9000109.3
367I40.8Very low35.7Very low160 Ų160136.4 Ų136.482%0.82182%0.818SS**  trans-129.9126.3175.2-70.3177.7000107.4
368S28.9Very low35.7Very low88 Ų88135.3 Ų135.362%0.61582%0.822SS**PPolyproline II helixtrans-77.6143.2173.8-63.50000111.4
369Q35.1Very low35.9Very low183 Ų183134.3 Ų134.386%0.85582%0.82SS**PPolyproline II helixtrans-71152.8-171.5-69.9-79.16.200114.1
370Y34.5Very low36Very low221 Ų221135.6 Ų135.687%0.86782%0.817SS**PPolyproline II helixtrans-76.6154.1160.6-92-102000111
371T39.7Very low36Very low137 Ų137139.9 Ų139.984%0.8482%0.819SS**PPolyproline II helixtrans-88.4123.5176.5-47.20000111.5
372P43.9Very low35.9Very low112 Ų112143.5 Ų143.573%0.72782%0.82SS**PPolyproline II helixtrans-89.1159.8173.535.5-34.2000112.5
373V43.8Very low35.5Very low140 Ų140141.4 Ų141.485%0.84882%0.82SS**  trans-106.9140166.4-700000110.2
374P54Low35.4Very low125 Ų125138.1 Ų138.181%0.81282%0.818SS**  trans-92.3157.3-173.635.9-35.8000113.8
375S30.9Very low35.3Very low127 Ų127137.9 Ų137.989%0.88882%0.816SS**  trans-110.8139.4163-58.90000109.4
376S39.3Very low35.3Very low124 Ų124141.2 Ų141.287%0.86781%0.813SS**  trans-111.9140.3178.440.30000112.3
377S32.5Very low35.4Very low115 Ų115139 Ų13980%0.80481%0.81SS**  trans-99.1153.3-177.749.50000112.6
378V31.7Very low35.1Very low141 Ų141138.9 Ų138.986%0.85581%0.811SS**  trans-141.2140.8168.3-177.60000109.5
379S32.6Very low35.3Very low107 Ų107143 Ų14375%0.74882%0.82SS**  trans-143.3171.5169.3-50.40000107.1
380V34.6Very low35.3Very low130 Ų130140.2 Ų140.279%0.78882%0.816SS**  cis-143.1157.814.4-174.90000107
381E31.3Very low35.3Very low194 Ų194133.3 Ų133.391%0.90780%0.804SS**  174.6-176.9126.9-141.4150.3100.900112.8
382E29.7Very low35.3Very low173 Ų173133.1 Ų133.181%0.80880%0.803SS**  trans-125.8142.2-149174.8-174.798.500114.1
383S29Very low34.8Very low110 Ų110135 Ų13577%0.76981%0.806SS**  trans-165.3122.7143.5-98.30000115
384S32.5Very low34.5Very low117 Ų117131.9 Ų131.982%0.81880%0.795SS**  trans20.6134.6145.259.40000122.1
385G32Very low34.4Very low76 Ų76131.1 Ų131.178%0.78479%0.791SS**  trans158.598.8154.300000118.2
386Q33.1Very low34.8Very low178 Ų178129.7 Ų129.783%0.83278%0.781SS**  trans-28.3126165.4-78159.6-66.200116.7
387Q33.8Very low34.5Very low161 Ų161131.5 Ų131.575%0.75278%0.776SS**  87.499.373.5-176.5-171.317.300114.2
388N34.6Very low35Very low158 Ų158134.3 Ų134.385%0.84578%0.775SS**  -160.2160127.2-133.5-6.9000113.8
389Q32Very low35.1Very low173 Ų173131.3 Ų131.381%0.80877%0.774SS**  trans-92.4177.5172.9-61.5175.4-4.200109.1
390V35.7Very low35.3Very low126 Ų126132.3 Ų132.376%0.76478%0.775SS**  cis-153.3144.635.7175.30000112.4
391A35.5Very low35.4Very low76 Ų76137.4 Ų137.463%0.62878%0.781SS**  trans2.4140.4150.200000121.5
392V38.1Very low35.5Very low133 Ų133132.6 Ų132.681%0.80677%0.769SS**  75.2134.989.9173.70000112.5
393D33Very low35.8Very low150 Ų150133.4 Ų133.480%0.80277%0.77SS**  cis-144.5179.822.4-150.5172.2000114.5
394A37.8Very low36.2Very low75 Ų75137.1 Ų137.162%0.6278%0.776SS**  trans-97.4-159.7157.900000109.1
395P53.5Low36.7Very low110 Ų110140.2 Ų140.271%0.71478%0.775SS**  cis-139.8-166.6-3.943-22.9000115.8
396S38.9Very low37Very low97 Ų97143.5 Ų143.568%0.67877%0.774SS**  trans81.8116.5144.4-68.40000123.8
397E33.3Very low37.6Very low162 Ų162147 Ų14776%0.75779%0.787SS**  82.9124.2127.6-66.3-167.8110.300124.2
398H41.6Very low37.8Very low173 Ų173146.3 Ų146.380%0.80179%0.789SS**  trans44.9118140.3-66.9-66.1000122.7
399G34.3Very low38Very low79 Ų79145.7 Ų145.781%0.81479%0.786SS**  trans-156.6101.4158.400000112.6
400V36.8Very low38.3Very low128 Ų128144.2 Ų144.278%0.77678%0.784SS**  trans-93.3128.2171.7173.80000109.1
401Y36.6Very low38.5Very low236 Ų236145.2 Ų145.293%0.92579%0.786SS**  trans-143.8157.4161.9-107.5-79.8000112.6
402S34.6Very low38.7Very low93 Ų93149.6 Ų149.665%0.6580%0.795SS**  trans-123.3153.1-170-89.60000112.6
403F35.5Very low38.7Very low190 Ų190150.7 Ų150.783%0.83380%0.795SS**  trans41.8123.5153.2-81.8-93.7000119.9
404Q38.1Very low39.1Very low189 Ų189150.7 Ų150.788%0.88379%0.794SS**  -150.6164.9107.1-123.4-168.522.700113.2
405F41.3Very low39.2Very low181 Ų181156.5 Ų156.579%0.79481%0.808SS**  trans-134.3123.8-173.8-170.3-70000107.7
406N39.4Very low38Very low145 Ų145160.4 Ų160.478%0.77582%0.815SS**  trans-16293.3172-165.3-5.6000113.4
407K45.8Very low37.9Very low252 Ų252166.2 Ų166.2100%1.09683%0.828SS**  -162.10114.9-125.7175.6-179.8175.60112

Retrieved 407 of 407 residues in 127.6 ms (Link to these results)