A0A077ZAI4_TRITR Loading...

Cathepsin D aspartic protease

AlphaFold DB , UniProt , Accession A0A077ZAI4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 400 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.9Very low32.9Very low226 Ų226154.4 Ų154.4100%1.11381%0.813SS**  0125.90-79.816768.100107
2L33.4Very low32.7Very low159 Ų159153.4 Ų153.483%0.83281%0.808SS**  trans72.3129-175.9-59.4135.1000112.6
3L33.7Very low32.1Very low159 Ų159158.2 Ų158.283%0.83281%0.811SS**  cis-140.214037.7-80.8112.7000113.8
4S32Very low32.1Very low96 Ų96159.4 Ų159.467%0.67181%0.808SS**  trans-63.2133.9164.950.70000112.4
5S35.1Very low32Very low114 Ų114153.3 Ų153.380%0.79780%0.8SS**  trans-117104.5158.6-65.40000107.8F7S5-F7 PolarHBondContact O-N 3.23Å
6I38.4Very low32.1Very low149 Ų149150.8 Ų150.876%0.76479%0.794SS**  trans-75.1108.8174.1-69166.9000106.7L8I6-L8 PolarHBondContact O-N 3.21Å
7F34.9Very low32.6Very low187 Ų187147.2 Ų147.282%0.8279%0.791SS**  trans-80.3105.9171.2-123.2-91.5000108.1S5 L9S5-F7 PolarHBondContact O-N 3.23Å; F7-L9 PolarHBondContact O-N 3.19Å; F7-L9 VanDerWaalsContact O-N 3.15Å
8L32.4Very low33.9Very low153 Ų153144.4 Ų144.480%0.80178%0.776SS**  trans-72.499.7169.7-140.790.4000107.5I6 M10I6-L8 PolarHBondContact O-N 3.21Å; L8-M10 PolarHBondContact O-N 3.19Å; L8-M10 VanDerWaalsContact O-N 3.14Å
9L31.1Very low35.5Very low146 Ų146139.4 Ų139.476%0.76476%0.761SS**  trans-71.9100.6168.5-103.9121.3000108.4F7 I11F7-L9 PolarHBondContact O-N 3.19Å; F7-L9 VanDerWaalsContact O-N 3.15Å; L9-I11 PolarHBondContact O-N 3.28Å; L9-I11 VanDerWaalsContact O-N 3.11Å
10M27.8Very low37.7Very low170 Ų170134.9 Ų134.984%0.83774%0.735SS**  trans-66.3101.8160.4-106.9-166.117000108.1L8 L12L8-M10 PolarHBondContact O-N 3.19Å; L8-M10 VanDerWaalsContact O-N 3.14Å; M10-L12 PolarHBondContact O-N 3.21Å
11I29.9Very low40.1Very low139 Ų139130.1 Ų130.171%0.71371%0.711SS**  trans-73103.3166.3-63.8171.9000106.4L9 Y13L9-I11 PolarHBondContact O-N 3.28Å; L9-I11 VanDerWaalsContact O-N 3.11Å; I11-Y13 PolarHBondContact O-N 3.15Å; I11-Y13 VanDerWaalsContact O-N 3.12Å
12L30.2Very low43Very low143 Ų143123.3 Ų123.375%0.74968%0.675SS**  trans-66.1105166.2-80.6160.6000107.8M10 F14M10-L12 PolarHBondContact O-N 3.21Å; L12-F14 PolarHBondContact O-N 3.01Å; L12-F14 VanDerWaalsContact O-N 3.07Å
13Y25.5Very low45.6Very low215 Ų215116.1 Ų116.184%0.84364%0.638SS**  trans-6899.7170.6-124.3-92.7000108.1I11 G15I11-Y13 PolarHBondContact O-N 3.15Å; I11-Y13 VanDerWaalsContact O-N 3.12Å; Y13-G15 PolarHBondContact O-N 3.03Å; Y13-G15 VanDerWaalsContact O-N 3.15Å
14F31.9Very low48.4Very low175 Ų175111.5 Ų111.577%0.76862%0.617SS**  trans-72.698.7158.8-76.1-83.4000106.5L12 T16L12-F14 PolarHBondContact O-N 3.01Å; L12-F14 VanDerWaalsContact O-N 3.07Å; F14-T16 VanDerWaalsContact C-N 3.32Å; F14-T16 PolarHBondContact O-N 3.26Å
15G30.4Very low51.3Low68 Ų68107 Ų10770%0.70159%0.585SS**  trans-65.393170.600000109.7Y13 A17Y13-G15 PolarHBondContact O-N 3.03Å; Y13-G15 VanDerWaalsContact O-N 3.15Å; G15-A17 VanDerWaalsContact C-N 3.34Å; G15-A17 PolarHBondContact O-N 3.32Å
16T33.3Very low53.8Low113 Ų113104.9 Ų104.969%0.69356%0.562SS**  trans-83.984161.154.70000106.9F14 D18F14-T16 VanDerWaalsContact C-N 3.32Å; F14-T16 PolarHBondContact O-N 3.26Å; T16-D18 VanDerWaalsContact C-N 3.25Å; T16-D18 PolarHBondContact O-N 3.09Å
17A41.6Very low56Low90 Ų9099.8 Ų99.874%0.74453%0.533SS*.SBendtrans-68.4-23.8178.800000112.6G15G15-A17 VanDerWaalsContact C-N 3.34Å; G15-A17 PolarHBondContact O-N 3.32Å
18D55.2Low58.2Low98 Ų9895.2 Ų95.252%0.52451%0.512SS..SBendtrans-145.614.8176.1-82-45.5000114.6T16 H20T16-D18 VanDerWaalsContact C-N 3.25Å; T16-D18 PolarHBondContact O-N 3.09Å; D18-H20 VanDerWaalsContact CB-CD2 3.48Å; D18-H20 WeakPolarHBondContact CB-CD2 3.49Å; D18-H20 PolarHBondContact O-CD2 3.19Å; D18-H20 PolarHBondContact O-N 2.03Å
19G64.5Low60.4Low48 Ų4891 Ų9150%0.49549%0.489SS..SBendtrans67.7-4179.800000115.6
20H79.3Confident62.7Low50 Ų5084.2 Ų84.223%0.23145%0.453CS..  trans-77.2148.4173.9-51.6-54.8000111.8D18 T236 G238D18-H20 VanDerWaalsContact CB-CD2 3.48Å; D18-H20 WeakPolarHBondContact CB-CD2 3.49Å; D18-H20 PolarHBondContact O-CD2 3.19Å; D18-H20 PolarHBondContact O-N 2.03Å; H20-T236 HydrophobicContact CB-CG2 3.69Å; H20-G238 PolarHBondContact CE1-O 2.79Å; H20-G238 PolarHBondContact ND1-O 3.12Å
21S89Confident65.2Low34 Ų3476.5 Ų76.524%0.23842%0.416CS..EExtended strand (participates in β ladder)trans-97.3127.2179.1-62.60000109.7I162 F237S21-I162 VanDerWaalsContact CB-CD1 3.43Å; S21-I162 WeakPolarHBondContact OG-CG1 3.24Å; S21-F237 PolarHBondContact N-O 3.17Å; S21-F237 VanDerWaalsContact N-O 3.16Å; S21-F237 PolarHBondContact O-N 3.05Å
22K92.6Very high67.6Low84 Ų8470 Ų7037%0.36538%0.383SS..EExtended strand (participates in β ladder)trans-117.7143.3-170.2-62.2172.2167.4-150.70112.3A160 E234 I235 D241K22-A160 VanDerWaalsContact O-CB 3.31Å; K22-A160 WeakPolarHBondContact O-CB 3.32Å; K22-E234 HydrophobicContact CB-CG 4.26Å; K22-E234 VanDerWaalsContact CD-OE1 3.22Å; K22-E234 WeakPolarHBondContact CD-OE1 3.47Å; K22-E234 VanDerWaalsContact CE-OE1 3.3Å; K22-E234 WeakPolarHBondContact CE-OE1 3.49Å; K22-E234 WeakPolarHBondContact CG-OE1 3.37Å; K22-E234 IonicContact NZ-OE1 3.79Å; K22-E234 PolarHBondContact NZ-OE1 3.11Å; K22-I235 CarbonylContact C-O 3.51Å; K22-I235 WeakPolarHBondContact CA-O 3.03Å; K22-D241 VanDerWaalsContact NZ-CG 3.33Å; K22-D241 IonicContact NZ-OD1 3.43Å; K22-D241 IonicContact NZ-OD2 3.02Å; K22-D241 PolarHBondContact NZ-OD2 3.16Å
23V89.3Confident70Confident8 Ų865.8 Ų65.85%0.04836%0.359CS..EExtended strand (participates in β ladder)trans-118.1115.7168.5-176.80000108.2L25 F97 V159 A160 E234 I235 F237V23-L25 PolarHBondContact O-N 2.68Å; V23-F97 HydrophobicContact CG1-CE2 4.13Å; V23-F97 HydrophobicContact CG1-CZ 4.18Å; V23-F97 HydrophobicContact CG2-CZ 4.35Å; V23-V159 HydrophobicContact CG2-CG1 4.07Å; V23-A160 HydrophobicContact CG2-CB 3.64Å; V23-E234 CarbonylContact O-C 3.55Å; V23-E234 WeakPolarHBondContact O-CA 3.49Å; V23-I235 HydrophobicContact CB-CB 4.39Å; V23-I235 PolarHBondContact N-O 3.23Å; V23-I235 PolarHBondContact O-N 3.09Å; V23-F237 HydrophobicContact CG2-CD2 4.3Å; V23-F237 HydrophobicContact CG2-CE2 3.79Å
24T92.1Very high72.7Confident62 Ų6257 Ų5738%0.3832%0.324SS..EExtended strand (participates in β ladder)trans-65128.2166.4-53.20000109.2F26 I231T24-F26 HydrophobicContact CG2-CE1 4.39Å; T24-F26 HydrophobicContact CG2-CZ 4.31Å; T24-I231 HydrophobicContact CG2-CG1 4.3Å; T24-I231 HydrophobicContact CG2-CG2 4.03Å
25L92.5Very high75.2Confident2 Ų248.8 Ų48.81%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-93133.2171.4-61.6177.7000109.3V23 Y81 F97 F221 L223 G232 G233 I235V23-L25 PolarHBondContact O-N 2.68Å; L25-Y81 WeakPolarHBondContact CA-O 3.4Å; L25-F97 HydrophobicContact CD2-CD2 3.96Å; L25-F97 HydrophobicContact CD2-CE2 4.24Å; L25-F221 HydrophobicContact CD1-CD1 3.95Å; L25-F221 HydrophobicContact CD1-CE1 3.99Å; L25-L223 HydrophobicContact CD1-CD2 3.9Å; L25-G232 WeakPolarHBondContact O-CA 3.45Å; L25-G232 PolarHBondContact O-N 3.33Å; L25-G233 PolarHBondContact N-O 3.29Å; L25-G233 PolarHBondContact O-N 2.84Å; L25-G233 VanDerWaalsContact O-N 3.1Å; L25-I235 HydrophobicContact CD1-CD1 4.23Å; L25-I235 HydrophobicContact CD1-CG1 3.74Å; L25-I235 HydrophobicContact CD2-CD1 3.81Å; L25-I235 HydrophobicContact CD2-CG1 3.93Å; L25-I235 HydrophobicContact CG-CD1 4.36Å; L25-I235 HydrophobicContact CG-CG1 3.95Å
26F88.1Confident77.6Confident69 Ų6946.3 Ų46.330%0.30326%0.26SS..EExtended strand (participates in β ladder)trans-98.3138.3174.2-61.8-79.7000109.6T24 Q79 Y80 Y81T24-F26 HydrophobicContact CG2-CE1 4.39Å; T24-F26 HydrophobicContact CG2-CZ 4.31Å; F26-Q79 VanDerWaalsContact O-O 3.11Å; F26-Y80 WeakPolarHBondContact O-CA 3.29Å; F26-Y81 HydrophobicContact CB-CD2 4.34Å; F26-Y81 HydrophobicContact CB-CE1 4.28Å; F26-Y81 HydrophobicContact CB-CE2 3.71Å; F26-Y81 HydrophobicContact CD2-CE2 4.27Å; F26-Y81 HydrophobicContact CG-CE2 4.35Å; F26-Y81 PolarHBondContact N-O 3.2Å; F26-Y81 PolarHBondContact O-N 3.41Å
27R83.6Confident80Confident42 Ų4246.4 Ų46.416%0.15825%0.247CC..EExtended strand (participates in β ladder)trans-93.4134.4175.7-165.1174.4-177.1171.90.3110.4Q79 Y80 T227 E230R27-Q79 CarbonylContact C-O 3.5Å; R27-Q79 VanDerWaalsContact CA-O 3.27Å; R27-Q79 WeakPolarHBondContact CA-O 3.46Å; R27-Q79 HydrophobicContact CG-CB 4.17Å; R27-Q79 VanDerWaalsContact NE-OE1 3.12Å; R27-Y80 HydrophobicContact CB-CD1 4.38Å; R27-Y80 HydrophobicContact CB-CE1 4.19Å; R27-Y80 HydrophobicContact CG-CD1 4.41Å; R27-Y80 HydrophobicContact CG-CE1 3.93Å; R27-T227 VanDerWaalsContact NH1-CG2 3.3Å; R27-E230 PolarHBondContact N-O 2.83Å
28K82.2Confident82.1Confident90 Ų9047.2 Ų47.239%0.39124%0.235SC..  trans-129.8159162.7-79.9-176.2172.9161.50112S30 Q79 Y81 H184K28-S30 PolarHBondContact O-N 3.26Å; K28-Q79 PolarHBondContact N-O 3.23Å; K28-Q79 WeakPolarHBondContact O-CG 3.18Å; K28-Y81 HydrophobicContact CB-CE1 3.96Å; K28-Y81 HydrophobicContact CD-CE1 3.73Å; K28-Y81 WeakPolarHBondContact CD-OH 2.91Å; K28-Y81 WeakPolarHBondContact CE-OH 3.36Å; K28-Y81 HydrophobicContact CG-CE1 3.73Å; K28-Y81 WeakPolarHBondContact CG-OH 3.04Å; K28-Y81 PolarHBondContact NZ-OH 3.38Å; K28-H184 HydrophobicContact CB-CB 4.42Å; K28-H184 HydrophobicContact CD-CB 3.51Å; K28-H184 VanDerWaalsContact CD-CG 3.49Å
29E78.8Confident83.4Confident66 Ų6643.9 Ų43.931%0.30823%0.225SC..  trans-52.9124.7169.8-175.6178.5-140.500109Q33 R34 R37E29-Q33 HydrophobicContact CG-CB 3.65Å; E29-R34 HydrophobicContact CG-CB 4.09Å; E29-R34 WeakPolarHBondContact OE1-CA 3.48Å; E29-R34 WeakPolarHBondContact OE2-CG 3.19Å; E29-R37 WeakPolarHBondContact OE1-CD 3.38Å; E29-R37 IonicContact OE1-CZ 3.48Å; E29-R37 IonicContact OE1-NE 2.84Å; E29-R37 PolarHBondContact OE1-NE 2.77Å; E29-R37 IonicContact OE1-NH2 3.98Å; E29-R37 IonicContact OE2-CZ 3.63Å; E29-R37 IonicContact OE2-NE 3.99Å; E29-R37 PolarHBondContact OE2-NE 3.27Å; E29-R37 IonicContact OE2-NH2 3.86Å; E29-R37 PolarHBondContact OE2-NH2 2.76Å
30S79.7Confident84.5Confident2 Ų244.9 Ų44.91%0.01422%0.218CC..  trans-71.1159.7177.880.70000111K28 A32 Q33 R34 M76K28-S30 PolarHBondContact O-N 3.26Å; S30-A32 PolarHBondContact O-N 2.81Å; S30-Q33 PolarHBondContact O-N 3.26Å; S30-Q33 WeakPolarHBondContact OG-CG 3.27Å; S30-Q33 PolarHBondContact OG-N 3.26Å; S30-R34 WeakPolarHBondContact O-CB 3.5Å; S30-R34 PolarHBondContact O-N 3.45Å; S30-M76 CarbonylContact C-O 3.57Å; S30-M76 WeakPolarHBondContact CB-O 3.48Å; S30-M76 PolarHBondContact OG-O 3.03Å
31V79.1Confident84.8Confident9 Ų946.3 Ų46.36%0.05522%0.224CC..Hα-helixtrans-59.8-38.1176.4-168.90000110.4R34 L35 M76 F182V31-R34 PolarHBondContact O-N 3.05Å; V31-L35 HydrophobicContact CG1-CD1 4.48Å; V31-L35 HydrophobicContact CG1-CG 4.44Å; V31-L35 WeakPolarHBondContact O-CB 3.36Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.32Å; V31-L35 PolarHBondContact O-N 3.34Å; V31-M76 HydrophobicContact CB-CE 3.61Å; V31-M76 HydrophobicContact CB-SD 3.74Å; V31-M76 HydrophobicContact CG1-CE 3.32Å; V31-M76 HydrophobicContact CG1-SD 3.62Å; V31-M76 HydrophobicContact CG2-SD 4.45Å; V31-M76 PolarHBondContact N-O 3.31Å; V31-F182 HydrophobicContact CG1-CB 4.32Å; V31-F182 HydrophobicContact CG2-CB 4.34Å
32A80.9Confident84.7Confident3 Ų351.8 Ų51.83%0.02524%0.244CC..Hα-helixtrans-59.4-51.2173.700000112.4S30 R34 L35 L36 Y44 M76 D77S30-A32 PolarHBondContact O-N 2.81Å; A32-R34 VanDerWaalsContact C-N 3.28Å; A32-R34 PolarHBondContact O-N 2.81Å; A32-L35 PolarHBondContact O-N 3.3Å; A32-L36 WeakPolarHBondContact O-CG 3.34Å; A32-L36 PolarHBondContact O-N 3.18Å; A32-Y44 HydrophobicContact CB-CD2 4.2Å; A32-Y44 HydrophobicContact CB-CE2 3.72Å; A32-M76 HydrophobicContact CB-CB 4.28Å; A32-M76 WeakPolarHBondContact CB-O 3.46Å; A32-M76 PolarHBondContact N-O 3.49Å; A32-D77 WeakPolarHBondContact CB-OD1 3.39Å
33Q80.6Confident84.3Confident53 Ų5349.8 Ų49.825%0.24824%0.236CC..Hα-helixtrans-58.5-44.2177.5-75.7175.5-34.500111.3E29 S30 L36 R37 Q79 M348E29-Q33 HydrophobicContact CG-CB 3.65Å; S30-Q33 PolarHBondContact O-N 3.26Å; S30-Q33 WeakPolarHBondContact OG-CG 3.27Å; S30-Q33 PolarHBondContact OG-N 3.26Å; Q33-L36 PolarHBondContact O-N 3.12Å; Q33-R37 VanDerWaalsContact O-CB 3.32Å; Q33-R37 WeakPolarHBondContact O-CB 3.49Å; Q33-R37 PolarHBondContact O-N 3.47Å; Q33-Q79 VanDerWaalsContact NE2-NE2 3.12Å; Q33-Q79 VanDerWaalsContact OE1-NE2 3.14Å; Q33-M348 HydrophobicContact CB-CE 4.32Å; Q33-M348 HydrophobicContact CG-CE 4.35Å
34R82.4Confident84.1Confident30 Ų3050.1 Ų50.111%0.11324%0.236CC..Hα-helixtrans-64.4-43.6179.2-164179.973.1-150.3-6.3112.3E29 S30 V31 A32 R37 Q38 F182E29-R34 HydrophobicContact CG-CB 4.09Å; E29-R34 WeakPolarHBondContact OE1-CA 3.48Å; E29-R34 WeakPolarHBondContact OE2-CG 3.19Å; S30-R34 WeakPolarHBondContact O-CB 3.5Å; S30-R34 PolarHBondContact O-N 3.45Å; V31-R34 PolarHBondContact O-N 3.05Å; A32-R34 VanDerWaalsContact C-N 3.28Å; A32-R34 PolarHBondContact O-N 2.81Å; R34-R37 PolarHBondContact O-N 3.07Å; R34-Q38 VanDerWaalsContact O-CB 3.32Å; R34-Q38 WeakPolarHBondContact O-CB 3.33Å; R34-Q38 VanDerWaalsContact O-CG 3.24Å; R34-Q38 WeakPolarHBondContact O-CG 3.49Å; R34-Q38 PolarHBondContact O-N 2.8Å; R34-F182 PolarHBondContact NH1-O 3.46Å
35L83.4Confident83.8Confident4 Ų448.7 Ų48.72%0.02123%0.225CC..Hα-helixtrans-61.9-46.3177.2-74.3179.3000111.4V31 A32 Q38 G39 N40 E43 M76V31-L35 HydrophobicContact CG1-CD1 4.48Å; V31-L35 HydrophobicContact CG1-CG 4.44Å; V31-L35 WeakPolarHBondContact O-CB 3.36Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.32Å; V31-L35 PolarHBondContact O-N 3.34Å; A32-L35 PolarHBondContact O-N 3.3Å; L35-Q38 PolarHBondContact O-N 3.35Å; L35-G39 PolarHBondContact O-N 2.83Å; L35-G39 VanDerWaalsContact O-N 3.1Å; L35-N40 HydrophobicContact CD2-CB 3.91Å; L35-N40 PolarHBondContact O-N 3Å; L35-E43 HydrophobicContact CD1-CB 4.16Å; L35-E43 HydrophobicContact CD1-CG 3.95Å; L35-E43 HydrophobicContact CD2-CB 4.14Å; L35-E43 HydrophobicContact CD2-CG 4.12Å; L35-M76 HydrophobicContact CD1-CE 3.36Å; L35-M76 HydrophobicContact CG-CE 4.34Å
36L82.2Confident83.4Confident16 Ų1650.8 Ų50.88%0.08424%0.236CC..Hα-helixtrans-61.6-47.7176.6-72.7172.3000111.2A32 Q33 Q38 G39 F41 Y44 M348 Q350 I357A32-L36 WeakPolarHBondContact O-CG 3.34Å; A32-L36 PolarHBondContact O-N 3.18Å; Q33-L36 PolarHBondContact O-N 3.12Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 2.79Å; L36-G39 PolarHBondContact O-N 2.63Å; L36-F41 HydrophobicContact CD2-CD1 3.74Å; L36-F41 HydrophobicContact CD2-CE1 3.69Å; L36-Y44 HydrophobicContact CD1-CD2 4.22Å; L36-Y44 HydrophobicContact CD1-CE1 4.26Å; L36-Y44 HydrophobicContact CD1-CE2 3.73Å; L36-Y44 HydrophobicContact CD2-CD1 3.68Å; L36-Y44 HydrophobicContact CD2-CD2 4.16Å; L36-Y44 HydrophobicContact CD2-CE1 3.83Å; L36-Y44 HydrophobicContact CD2-CE2 4.3Å; L36-Y44 HydrophobicContact CD2-CG 3.83Å; L36-Y44 HydrophobicContact CG-CD1 4.27Å; L36-Y44 HydrophobicContact CG-CD2 3.83Å; L36-Y44 HydrophobicContact CG-CE1 4.3Å; L36-Y44 HydrophobicContact CG-CE2 3.88Å; L36-Y44 HydrophobicContact CG-CG 4.02Å; L36-M348 HydrophobicContact CB-CE 3.5Å; L36-M348 VanDerWaalsContact CB-CE 3.5Å; L36-M348 HydrophobicContact CB-SD 4.15Å; L36-M348 HydrophobicContact CD1-CE 3.77Å; L36-M348 HydrophobicContact CD1-SD 3.41Å; L36-M348 WeakPolarHBondContact CD1-SD 3.41Å; L36-M348 HydrophobicContact CG-CE 4.29Å; L36-M348 HydrophobicContact CG-SD 4.41Å; L36-Q350 VanDerWaalsContact O-CD 3.3Å; L36-Q350 PolarHBondContact O-NE2 3.16Å; L36-Q350 PolarHBondContact O-OE1 3.39Å; L36-I357 HydrophobicContact CD1-CD1 4.04Å
37R83.5Confident83Confident114 Ų11448.3 Ų48.343%0.4323%0.225SC..Hα-helixtrans-61-35.9177-175.4179.359.883.3-5.3112.7E29 Q33 R34 G39 Q350E29-R37 WeakPolarHBondContact OE1-CD 3.38Å; E29-R37 IonicContact OE1-CZ 3.48Å; E29-R37 IonicContact OE1-NE 2.84Å; E29-R37 PolarHBondContact OE1-NE 2.77Å; E29-R37 IonicContact OE1-NH2 3.98Å; E29-R37 IonicContact OE2-CZ 3.63Å; E29-R37 IonicContact OE2-NE 3.99Å; E29-R37 PolarHBondContact OE2-NE 3.27Å; E29-R37 IonicContact OE2-NH2 3.86Å; E29-R37 PolarHBondContact OE2-NH2 2.76Å; Q33-R37 VanDerWaalsContact O-CB 3.32Å; Q33-R37 WeakPolarHBondContact O-CB 3.49Å; Q33-R37 PolarHBondContact O-N 3.47Å; R34-R37 PolarHBondContact O-N 3.07Å; R37-G39 PolarHBondContact O-N 3.17Å; R37-Q350 WeakPolarHBondContact O-CG 3.2Å; R37-Q350 PolarHBondContact O-NE2 2.99Å; R37-Q350 VanDerWaalsContact O-NE2 3.08Å
38Q85.3Confident83Confident107 Ų10746.9 Ų46.950%0.522%0.221SC..THydrogen-bonded Turntrans-78.1-6.2175.7-71.3177.1-16.700113.2R34 L35 L36 N40R34-Q38 VanDerWaalsContact O-CB 3.32Å; R34-Q38 WeakPolarHBondContact O-CB 3.33Å; R34-Q38 VanDerWaalsContact O-CG 3.24Å; R34-Q38 WeakPolarHBondContact O-CG 3.49Å; R34-Q38 PolarHBondContact O-N 2.8Å; L35-Q38 PolarHBondContact O-N 3.35Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 2.79Å; Q38-N40 PolarHBondContact O-N 3.46Å
39G83.2Confident83.1Confident29 Ų2945.9 Ų45.930%0.29922%0.217SC..THydrogen-bonded Turntrans73.316.8-177.100000113.4L35 L36 R37 F41L35-G39 PolarHBondContact O-N 2.83Å; L35-G39 VanDerWaalsContact O-N 3.1Å; L36-G39 PolarHBondContact O-N 2.63Å; R37-G39 PolarHBondContact O-N 3.17Å; G39-F41 VanDerWaalsContact O-CD2 3.27Å; G39-F41 WeakPolarHBondContact O-CD2 3.48Å; G39-F41 PolarHBondContact O-N 3.23Å
40N86.8Confident83.2Confident68 Ų6845.2 Ų45.236%0.36421%0.214SC..  trans-84.861.9177.6-167.3-2.5000110.7L35 Q38 F42 E43 Y44L35-N40 HydrophobicContact CD2-CB 3.91Å; L35-N40 PolarHBondContact O-N 3Å; Q38-N40 PolarHBondContact O-N 3.46Å; N40-F42 VanDerWaalsContact C-N 3.31Å; N40-F42 PolarHBondContact O-N 2.98Å; N40-E43 PolarHBondContact O-N 3.41Å; N40-E43 WeakPolarHBondContact OD1-CB 3.15Å; N40-E43 PolarHBondContact OD1-N 3.2Å; N40-Y44 WeakPolarHBondContact O-CB 3.31Å; N40-Y44 PolarHBondContact O-N 3.45Å; N40-Y44 VanDerWaalsContact O-N 3.11Å
41F85.1Confident83.3Confident80 Ų8045.7 Ų45.735%0.35122%0.216SC..Hα-helixtrans-64.5-33.5-176.3-64.1-72.2000112.9L36 G39 Y44 F45L36-F41 HydrophobicContact CD2-CD1 3.74Å; L36-F41 HydrophobicContact CD2-CE1 3.69Å; G39-F41 VanDerWaalsContact O-CD2 3.27Å; G39-F41 WeakPolarHBondContact O-CD2 3.48Å; G39-F41 PolarHBondContact O-N 3.23Å; F41-Y44 WeakPolarHBondContact O-CB 3.35Å; F41-Y44 PolarHBondContact O-N 2.86Å; F41-F45 HydrophobicContact CB-CD2 4.18Å; F41-F45 HydrophobicContact CB-CE2 3.89Å; F41-F45 HydrophobicContact CD1-CE2 4.46Å; F41-F45 WeakPolarHBondContact O-CB 3.21Å; F41-F45 WeakPolarHBondContact O-CD2 3.11Å; F41-F45 WeakPolarHBondContact O-CG 3.44Å; F41-F45 PolarHBondContact O-N 2.56Å
42F87.6Confident83.6Confident149 Ų14946.2 Ų46.265%0.65422%0.219SC*.Hα-helixtrans-62.9-49.8178.8179.3-102.2000111.6N40 Y44 F45 N46N40-F42 VanDerWaalsContact C-N 3.31Å; N40-F42 PolarHBondContact O-N 2.98Å; F42-Y44 VanDerWaalsContact C-N 3.3Å; F42-Y44 PolarHBondContact O-N 3.07Å; F42-F45 PolarHBondContact O-N 2.81Å; F42-N46 WeakPolarHBondContact CD1-ND2 3.09Å; F42-N46 WeakPolarHBondContact CE1-ND2 3.35Å; F42-N46 WeakPolarHBondContact CZ-ND2 3.49Å; F42-N46 WeakPolarHBondContact O-CB 3.43Å; F42-N46 PolarHBondContact O-N 3.44Å; F42-N46 PolarHBondContact O-ND2 2.9Å
43E84.2Confident83.6Confident43 Ų4351 Ų5120%0.20124%0.241CC..Hα-helixtrans-64.7-39177-168.862.6-157.600110.9L35 N40 N46 K47 I178L35-E43 HydrophobicContact CD1-CB 4.16Å; L35-E43 HydrophobicContact CD1-CG 3.95Å; L35-E43 HydrophobicContact CD2-CB 4.14Å; L35-E43 HydrophobicContact CD2-CG 4.12Å; N40-E43 PolarHBondContact O-N 3.41Å; N40-E43 WeakPolarHBondContact OD1-CB 3.15Å; N40-E43 PolarHBondContact OD1-N 3.2Å; E43-N46 PolarHBondContact O-N 3.39Å; E43-K47 HydrophobicContact CG-CG 4.49Å; E43-K47 WeakPolarHBondContact O-CB 3.2Å; E43-K47 WeakPolarHBondContact O-CG 3.14Å; E43-K47 PolarHBondContact O-N 3.49Å; E43-K47 WeakPolarHBondContact OE1-CE 3.14Å; E43-K47 IonicContact OE1-NZ 3.9Å; E43-I178 HydrophobicContact CG-CD1 3.78Å; E43-I178 WeakPolarHBondContact OE1-CD1 3.36Å
44Y84.5Confident83.5Confident14 Ų1448.7 Ų48.76%0.05523%0.23CC..Hα-helixtrans-57-52.3175.5176.6-103.1000112.1A32 L36 N40 F41 F42 K47 L48 Q314A32-Y44 HydrophobicContact CB-CD2 4.2Å; A32-Y44 HydrophobicContact CB-CE2 3.72Å; L36-Y44 HydrophobicContact CD1-CD2 4.22Å; L36-Y44 HydrophobicContact CD1-CE1 4.26Å; L36-Y44 HydrophobicContact CD1-CE2 3.73Å; L36-Y44 HydrophobicContact CD2-CD1 3.68Å; L36-Y44 HydrophobicContact CD2-CD2 4.16Å; L36-Y44 HydrophobicContact CD2-CE1 3.83Å; L36-Y44 HydrophobicContact CD2-CE2 4.3Å; L36-Y44 HydrophobicContact CD2-CG 3.83Å; L36-Y44 HydrophobicContact CG-CD1 4.27Å; L36-Y44 HydrophobicContact CG-CD2 3.83Å; L36-Y44 HydrophobicContact CG-CE1 4.3Å; L36-Y44 HydrophobicContact CG-CE2 3.88Å; L36-Y44 HydrophobicContact CG-CG 4.02Å; N40-Y44 WeakPolarHBondContact O-CB 3.31Å; N40-Y44 PolarHBondContact O-N 3.45Å; N40-Y44 VanDerWaalsContact O-N 3.11Å; F41-Y44 WeakPolarHBondContact O-CB 3.35Å; F41-Y44 PolarHBondContact O-N 2.86Å; F42-Y44 VanDerWaalsContact C-N 3.3Å; F42-Y44 PolarHBondContact O-N 3.07Å; Y44-K47 PolarHBondContact O-N 2.96Å; Y44-L48 HydrophobicContact CE1-CD2 4.22Å; Y44-L48 WeakPolarHBondContact O-CB 3.36Å; Y44-L48 PolarHBondContact O-N 2.55Å; Y44-Q314 PolarHBondContact OH-NE2 3.06Å; Y44-Q314 PolarHBondContact OH-OE1 2.91Å
45F86.6Confident83.5Confident33 Ų3347.5 Ų47.515%0.14523%0.226CC..Hα-helixtrans-68.8-36.7-178.2-68.1-51.6000112.9F41 F42 K47 L48 E49 L310 I311F41-F45 HydrophobicContact CB-CD2 4.18Å; F41-F45 HydrophobicContact CB-CE2 3.89Å; F41-F45 HydrophobicContact CD1-CE2 4.46Å; F41-F45 WeakPolarHBondContact O-CB 3.21Å; F41-F45 WeakPolarHBondContact O-CD2 3.11Å; F41-F45 WeakPolarHBondContact O-CG 3.44Å; F41-F45 PolarHBondContact O-N 2.56Å; F42-F45 PolarHBondContact O-N 2.81Å; F45-K47 VanDerWaalsContact C-N 3.28Å; F45-K47 PolarHBondContact O-N 2.94Å; F45-L48 HydrophobicContact CD1-CD2 4.39Å; F45-L48 PolarHBondContact O-N 2.83Å; F45-E49 WeakPolarHBondContact O-CB 3.2Å; F45-E49 PolarHBondContact O-N 3.48Å; F45-L310 HydrophobicContact CE1-CD2 4.11Å; F45-L310 HydrophobicContact CE1-CG 4.34Å; F45-L310 HydrophobicContact CZ-CD2 4.12Å; F45-L310 HydrophobicContact CZ-CG 4.24Å; F45-I311 HydrophobicContact CB-CG2 4.11Å; F45-I311 HydrophobicContact CD1-CB 3.74Å; F45-I311 HydrophobicContact CD1-CG2 3.62Å; F45-I311 HydrophobicContact CD2-CD1 3.87Å; F45-I311 HydrophobicContact CD2-CG2 4.41Å; F45-I311 HydrophobicContact CE1-CB 3.7Å; F45-I311 HydrophobicContact CE1-CG2 4.14Å; F45-I311 HydrophobicContact CE2-CB 4.46Å; F45-I311 HydrophobicContact CE2-CD1 3.77Å; F45-I311 HydrophobicContact CG-CB 4.18Å; F45-I311 HydrophobicContact CG-CD1 4.32Å; F45-I311 HydrophobicContact CG-CG2 3.8Å; F45-I311 HydrophobicContact CZ-CB 4.08Å; F45-I311 HydrophobicContact CZ-CD1 4.13Å; F45-I311 HydrophobicContact CZ-CG1 4.48Å
46N83.9Confident83.5Confident46 Ų4653.1 Ų53.125%0.24625%0.247CC..Hα-helixtrans-60.3-39.7172.5-77.5-17.9000111.8F42 E43 Q50F42-N46 WeakPolarHBondContact CD1-ND2 3.09Å; F42-N46 WeakPolarHBondContact CE1-ND2 3.35Å; F42-N46 WeakPolarHBondContact CZ-ND2 3.49Å; F42-N46 WeakPolarHBondContact O-CB 3.43Å; F42-N46 PolarHBondContact O-N 3.44Å; F42-N46 PolarHBondContact O-ND2 2.9Å; E43-N46 PolarHBondContact O-N 3.39Å; N46-Q50 VanDerWaalsContact O-CG 3.27Å; N46-Q50 WeakPolarHBondContact O-CG 3.46Å; N46-Q50 PolarHBondContact O-N 2.98Å; N46-Q50 VanDerWaalsContact O-N 3.07Å; N46-Q50 PolarHBondContact O-NE2 3.4Å
47K79Confident83.5Confident16 Ų1657.4 Ų57.47%0.0727%0.266CS..Hα-helixtrans-70.3-39.4177.9-68.5-73.4164-155.80111.9E43 Y44 F45 E49 Q50 W51 N74 M76E43-K47 HydrophobicContact CG-CG 4.49Å; E43-K47 WeakPolarHBondContact O-CB 3.2Å; E43-K47 WeakPolarHBondContact O-CG 3.14Å; E43-K47 PolarHBondContact O-N 3.49Å; E43-K47 WeakPolarHBondContact OE1-CE 3.14Å; E43-K47 IonicContact OE1-NZ 3.9Å; Y44-K47 PolarHBondContact O-N 2.96Å; F45-K47 VanDerWaalsContact C-N 3.28Å; F45-K47 PolarHBondContact O-N 2.94Å; K47-E49 VanDerWaalsContact C-N 3.33Å; K47-Q50 VanDerWaalsContact NZ-OE1 3.15Å; K47-Q50 WeakPolarHBondContact O-CB 3.32Å; K47-Q50 PolarHBondContact O-N 3.46Å; K47-W51 PolarHBondContact O-N 3.18Å; K47-N74 WeakPolarHBondContact CD-ND2 3.33Å; K47-M76 HydrophobicContact CB-CE 4Å; K47-M76 HydrophobicContact CB-CG 4.07Å; K47-M76 HydrophobicContact CB-SD 4.24Å; K47-M76 HydrophobicContact CD-CE 4.48Å; K47-M76 HydrophobicContact CD-CG 4.47Å; K47-M76 HydrophobicContact CD-SD 3.97Å; K47-M76 HydrophobicContact CG-CE 3.87Å; K47-M76 HydrophobicContact CG-CG 4.47Å; K47-M76 HydrophobicContact CG-SD 4.01Å
48L84Confident83.4Confident12 Ų1252.1 Ų52.16%0.06325%0.247CC..Hα-helixtrans-64-39.6175.5-169.262.1000111.7Y44 F45 W51 T52 M312 Q314 M361Y44-L48 HydrophobicContact CE1-CD2 4.22Å; Y44-L48 WeakPolarHBondContact O-CB 3.36Å; Y44-L48 PolarHBondContact O-N 2.55Å; F45-L48 HydrophobicContact CD1-CD2 4.39Å; F45-L48 PolarHBondContact O-N 2.83Å; L48-W51 PolarHBondContact O-N 3.48Å; L48-T52 WeakPolarHBondContact O-CG2 3.35Å; L48-T52 PolarHBondContact O-N 2.85Å; L48-T52 PolarHBondContact O-OG1 2.82Å; L48-M312 HydrophobicContact CB-CB 4.5Å; L48-M312 HydrophobicContact CD2-CB 3.71Å; L48-M312 HydrophobicContact CG-CB 3.91Å; L48-Q314 VanDerWaalsContact CD2-CD 3.42Å; L48-Q314 HydrophobicContact CD2-CG 3.88Å; L48-M361 HydrophobicContact CD1-CE 3.41Å; L48-M361 VanDerWaalsContact CD1-CE 3.41Å; L48-M361 HydrophobicContact CD1-SD 3.92Å; L48-M361 HydrophobicContact CD2-CE 4.12Å; L48-M361 HydrophobicContact CG-CE 3.72Å
49E84.4Confident83.2Confident69 Ų6947.4 Ų47.432%0.32222%0.224SC..Hα-helixtrans-61.6-47.2172.5-173.6173.9-170.500111.8F45 K47 W51 T52 Q53 M312F45-E49 WeakPolarHBondContact O-CB 3.2Å; F45-E49 PolarHBondContact O-N 3.48Å; K47-E49 VanDerWaalsContact C-N 3.33Å; E49-W51 VanDerWaalsContact C-N 3.26Å; E49-W51 PolarHBondContact O-N 3.37Å; E49-T52 PolarHBondContact O-N 3.03Å; E49-T52 PolarHBondContact O-OG1 2.81Å; E49-Q53 HydrophobicContact CG-CG 4.38Å; E49-Q53 WeakPolarHBondContact O-CB 3.44Å; E49-Q53 WeakPolarHBondContact O-CG 3.13Å; E49-Q53 PolarHBondContact O-N 3.39Å; E49-Q53 PolarHBondContact OE1-NE2 3.48Å; E49-Q53 VanDerWaalsContact OE1-NE2 3.12Å; E49-M312 HydrophobicContact CB-CE 3.66Å; E49-M312 HydrophobicContact CB-CG 4.27Å; E49-M312 HydrophobicContact CB-SD 3.88Å; E49-M312 HydrophobicContact CG-CE 3.55Å; E49-M312 HydrophobicContact CG-SD 3.91Å
50Q80.7Confident83Confident52 Ų5248.8 Ų48.824%0.24323%0.225CC..Hα-helixtrans-58-41.5175.9-72.2160.726.600111.3N46 K47 F54N46-Q50 VanDerWaalsContact O-CG 3.27Å; N46-Q50 WeakPolarHBondContact O-CG 3.46Å; N46-Q50 PolarHBondContact O-N 2.98Å; N46-Q50 VanDerWaalsContact O-N 3.07Å; N46-Q50 PolarHBondContact O-NE2 3.4Å; K47-Q50 VanDerWaalsContact NZ-OE1 3.15Å; K47-Q50 WeakPolarHBondContact O-CB 3.32Å; K47-Q50 PolarHBondContact O-N 3.46Å; Q50-F54 WeakPolarHBondContact O-CB 3.04Å; Q50-F54 PolarHBondContact O-N 3.3Å; Q50-F54 VanDerWaalsContact O-N 3.07Å
51W82.2Confident82.4Confident13 Ų1348.5 Ų48.55%0.04922%0.223CC..Hα-helixtrans-64.8-47.5176.9-178.493.9000112K47 L48 E49 F54 T55 H73 T288 A292 M361 I363K47-W51 PolarHBondContact O-N 3.18Å; L48-W51 PolarHBondContact O-N 3.48Å; E49-W51 VanDerWaalsContact C-N 3.26Å; E49-W51 PolarHBondContact O-N 3.37Å; W51-F54 WeakPolarHBondContact O-CB 3.07Å; W51-F54 PolarHBondContact O-N 2.83Å; W51-T55 WeakPolarHBondContact O-CB 3.5Å; W51-T55 PolarHBondContact O-N 3.26Å; W51-T55 PolarHBondContact O-OG1 2.98Å; W51-T55 VanDerWaalsContact O-OG1 3.08Å; W51-H73 AromaticContact CD1-CD2 3.95Å; W51-H73 AromaticContact NE1-CD2 3.57Å; W51-H73 AromaticContact NE1-CG 3.77Å; W51-T288 HydrophobicContact CZ2-CG2 4.05Å; W51-A292 HydrophobicContact CH2-CB 3.9Å; W51-M361 HydrophobicContact CE3-CE 4.06Å; W51-M361 HydrophobicContact CE3-SD 4.24Å; W51-M361 HydrophobicContact CH2-SD 4.34Å; W51-M361 HydrophobicContact CZ3-CE 3.83Å; W51-M361 HydrophobicContact CZ3-SD 3.59Å; W51-M361 VanDerWaalsContact CZ3-SD 3.59Å; W51-I363 HydrophobicContact CE3-CD1 4.45Å; W51-I363 HydrophobicContact CH2-CD1 3.42Å; W51-I363 VanDerWaalsContact CH2-CD1 3.42Å; W51-I363 HydrophobicContact CH2-CG1 4.5Å; W51-I363 HydrophobicContact CZ3-CD1 3.34Å; W51-I363 HydrophobicContact CZ3-CG1 4.07Å
52T84.4Confident81.7Confident20 Ų2045.1 Ų45.112%0.12321%0.209CC..Hα-helixtrans-64.6-44.8-179.952.20000112.6L48 E49 F54 T55 R56 M361L48-T52 WeakPolarHBondContact O-CG2 3.35Å; L48-T52 PolarHBondContact O-N 2.85Å; L48-T52 PolarHBondContact O-OG1 2.82Å; E49-T52 PolarHBondContact O-N 3.03Å; E49-T52 PolarHBondContact O-OG1 2.81Å; T52-F54 PolarHBondContact O-N 3.14Å; T52-T55 PolarHBondContact O-N 3.49Å; T52-R56 WeakPolarHBondContact O-CB 3.4Å; T52-R56 PolarHBondContact O-N 3.11Å; T52-M361 HydrophobicContact CG2-CE 3.25Å
53Q82.2Confident80.7Confident103 Ų10341 Ų4148%0.48119%0.191SC..Hα-helixtrans-59.6-37.4175.3-70.5-176.911.200111.5E49 R56 Q57E49-Q53 HydrophobicContact CG-CG 4.38Å; E49-Q53 WeakPolarHBondContact O-CB 3.44Å; E49-Q53 WeakPolarHBondContact O-CG 3.13Å; E49-Q53 PolarHBondContact O-N 3.39Å; E49-Q53 PolarHBondContact OE1-NE2 3.48Å; E49-Q53 VanDerWaalsContact OE1-NE2 3.12Å; Q53-R56 WeakPolarHBondContact O-CB 3.24Å; Q53-Q57 PolarHBondContact O-N 3.2Å
54F78.4Confident79.8Confident5 Ų545.1 Ų45.12%0.02221%0.21CC..Hα-helixtrans-72.3-49.5179.2-178.3-103.9000113.5Q50 W51 T52 R56 Q57 K58 L71 L72 H73 G144Q50-F54 WeakPolarHBondContact O-CB 3.04Å; Q50-F54 PolarHBondContact O-N 3.3Å; Q50-F54 VanDerWaalsContact O-N 3.07Å; W51-F54 WeakPolarHBondContact O-CB 3.07Å; W51-F54 PolarHBondContact O-N 2.83Å; T52-F54 PolarHBondContact O-N 3.14Å; F54-R56 PolarHBondContact O-N 2.86Å; F54-Q57 CarbonylContact O-C 3.28Å; F54-Q57 WeakPolarHBondContact O-CA 3.39Å; F54-Q57 PolarHBondContact O-N 3.46Å; F54-K58 HydrophobicContact CE1-CB 4.44Å; F54-K58 HydrophobicContact CE1-CD 4.22Å; F54-K58 WeakPolarHBondContact O-CB 3.13Å; F54-K58 PolarHBondContact O-N 2.87Å; F54-L71 HydrophobicContact CD2-CD2 4.3Å; F54-L71 VanDerWaalsContact CE1-C 3.49Å; F54-L71 HydrophobicContact CE1-CB 3.9Å; F54-L71 WeakPolarHBondContact CE1-O 3.35Å; F54-L71 HydrophobicContact CE2-CB 3.78Å; F54-L71 HydrophobicContact CE2-CD2 3.33Å; F54-L71 HydrophobicContact CE2-CG 4.11Å; F54-L71 HydrophobicContact CZ-CB 3.28Å; F54-L71 HydrophobicContact CZ-CD2 3.76Å; F54-L71 HydrophobicContact CZ-CG 4.1Å; F54-L72 WeakPolarHBondContact CE1-O 3.24Å; F54-L72 WeakPolarHBondContact CZ-O 3.34Å; F54-H73 HydrophobicContact CD1-CB 3.84Å; F54-H73 VanDerWaalsContact CE1-CA 3.45Å; F54-H73 HydrophobicContact CE1-CB 3.88Å; F54-H73 VanDerWaalsContact CE1-N 3.34Å; F54-G144 VanDerWaalsContact CG-CA 3.48Å
55T82.6Confident78.3Confident4 Ų450.4 Ų50.43%0.02525%0.246CC..Hα-helixtrans-52.1-42175.1-690000110.2W51 T52 Q57 K58 Y59 I363 L365 I374W51-T55 WeakPolarHBondContact O-CB 3.5Å; W51-T55 PolarHBondContact O-N 3.26Å; W51-T55 PolarHBondContact O-OG1 2.98Å; W51-T55 VanDerWaalsContact O-OG1 3.08Å; T52-T55 PolarHBondContact O-N 3.49Å; T55-Q57 PolarHBondContact O-N 2.81Å; T55-K58 PolarHBondContact O-N 3.42Å; T55-Y59 HydrophobicContact CG2-CD2 3.85Å; T55-Y59 HydrophobicContact CG2-CE2 3.82Å; T55-Y59 WeakPolarHBondContact O-CD2 3.43Å; T55-Y59 PolarHBondContact O-N 3.18Å; T55-I363 HydrophobicContact CG2-CD1 3.79Å; T55-I363 HydrophobicContact CG2-CG2 4.45Å; T55-L365 HydrophobicContact CG2-CD2 4.33Å; T55-I374 HydrophobicContact CG2-CD1 3.82Å
56R83.4Confident76.8Confident123 Ų12351.5 Ų51.546%0.46427%0.267SS..Hα-helixtrans-57.3-47.3172.9-171.6-171.6173.9165.2-0.4112.9T52 Q53 F54 L60 D364 P366T52-R56 WeakPolarHBondContact O-CB 3.4Å; T52-R56 PolarHBondContact O-N 3.11Å; Q53-R56 WeakPolarHBondContact O-CB 3.24Å; F54-R56 PolarHBondContact O-N 2.86Å; R56-L60 VanDerWaalsContact O-CB 3.29Å; R56-L60 WeakPolarHBondContact O-CB 3.26Å; R56-L60 PolarHBondContact O-N 2.9Å; R56-D364 WeakPolarHBondContact CD-O 3.42Å; R56-D364 WeakPolarHBondContact CG-O 3.37Å; R56-P366 HydrophobicContact CG-CG 3.6Å
57Q80.7Confident75Confident105 Ų10556.9 Ų56.949%0.49129%0.29SS..Hα-helixtrans-70.2-44.5179.4-70.6-178.716.500112.5Q53 F54 T55 Y59 L60 I61Q53-Q57 PolarHBondContact O-N 3.2Å; F54-Q57 CarbonylContact O-C 3.28Å; F54-Q57 WeakPolarHBondContact O-CA 3.39Å; F54-Q57 PolarHBondContact O-N 3.46Å; T55-Q57 PolarHBondContact O-N 2.81Å; Q57-Y59 PolarHBondContact O-N 2.98Å; Q57-L60 PolarHBondContact O-N 3.26Å; Q57-I61 WeakPolarHBondContact O-CG1 3.26Å; Q57-I61 PolarHBondContact O-N 2.57Å
58K82.5Confident73.8Confident3 Ų356.3 Ų56.31%0.01329%0.288CS..Hα-helixtrans-51.2-54.4179.4176.8176.2-174.9169.90111.4F54 T55 A62 L71 G100 Y259F54-K58 HydrophobicContact CE1-CB 4.44Å; F54-K58 HydrophobicContact CE1-CD 4.22Å; F54-K58 WeakPolarHBondContact O-CB 3.13Å; F54-K58 PolarHBondContact O-N 2.87Å; T55-K58 PolarHBondContact O-N 3.42Å; K58-A62 WeakPolarHBondContact O-CB 3.49Å; K58-A62 PolarHBondContact O-N 3.38Å; K58-L71 HydrophobicContact CB-CB 4Å; K58-L71 HydrophobicContact CB-CD1 4.33Å; K58-L71 HydrophobicContact CD-CB 4.31Å; K58-L71 VanDerWaalsContact CD-O 3.29Å; K58-L71 WeakPolarHBondContact CD-O 3.03Å; K58-L71 WeakPolarHBondContact CE-O 3.15Å; K58-L71 HydrophobicContact CG-CB 3.93Å; K58-L71 PolarHBondContact NZ-O 2.84Å; K58-L71 VanDerWaalsContact NZ-O 3.12Å; K58-G100 PolarHBondContact NZ-O 2.79Å; K58-Y259 VanDerWaalsContact CE-OH 3.25Å; K58-Y259 WeakPolarHBondContact CE-OH 3.35Å; K58-Y259 WeakPolarHBondContact CG-OH 3.22Å
59Y80.4Confident72.4Confident8 Ų859.6 Ų59.63%0.03131%0.306CS..Hα-helixtrans-79.6-22.1-176.1-63.7-64.2000113.5T55 Q57 K63 Y259 I283 L372 I374T55-Y59 HydrophobicContact CG2-CD2 3.85Å; T55-Y59 HydrophobicContact CG2-CE2 3.82Å; T55-Y59 WeakPolarHBondContact O-CD2 3.43Å; T55-Y59 PolarHBondContact O-N 3.18Å; Q57-Y59 PolarHBondContact O-N 2.98Å; Y59-K63 PolarHBondContact O-N 3.1Å; Y59-Y259 HydrophobicContact CD1-CD2 4.33Å; Y59-Y259 AromaticContact CD1-CE2 3.87Å; Y59-Y259 HydrophobicContact CD1-CE2 3.87Å; Y59-Y259 AromaticContact CE1-CD2 3.92Å; Y59-Y259 HydrophobicContact CE1-CD2 3.92Å; Y59-Y259 HydrophobicContact CE1-CE1 4.29Å; Y59-Y259 AromaticContact CE1-CE2 3.65Å; Y59-Y259 HydrophobicContact CE1-CE2 3.65Å; Y59-Y259 HydrophobicContact CE1-CG 4.35Å; Y59-Y259 AromaticContact CE1-CZ 3.86Å; Y59-I283 HydrophobicContact CD1-CD1 4.02Å; Y59-I283 HydrophobicContact CE1-CD1 3.29Å; Y59-L372 HydrophobicContact CD1-CD2 3.69Å; Y59-L372 HydrophobicContact CD2-CD2 3.83Å; Y59-L372 HydrophobicContact CE1-CD2 4.21Å; Y59-L372 HydrophobicContact CE2-CD2 4.34Å; Y59-L372 HydrophobicContact CG-CD2 3.49Å; Y59-L372 VanDerWaalsContact CG-CD2 3.49Å; Y59-I374 HydrophobicContact CD2-CD1 4.42Å; Y59-I374 HydrophobicContact CE2-CD1 3.55Å; Y59-I374 HydrophobicContact CE2-CG1 4.3Å
60L79.8Confident71.1Confident58 Ų5856.4 Ų56.430%0.30429%0.291SS..Hα-helixtrans-67.2-48.9170.4-175.861.2000111.7R56 Q57 A62 K63 P366 E368 V369R56-L60 VanDerWaalsContact O-CB 3.29Å; R56-L60 WeakPolarHBondContact O-CB 3.26Å; R56-L60 PolarHBondContact O-N 2.9Å; Q57-L60 PolarHBondContact O-N 3.26Å; L60-A62 VanDerWaalsContact C-N 3.28Å; L60-A62 PolarHBondContact O-N 2.86Å; L60-K63 PolarHBondContact O-N 2.89Å; L60-K63 VanDerWaalsContact O-N 3.1Å; L60-P366 HydrophobicContact CB-CG 4.15Å; L60-P366 HydrophobicContact CD1-CB 3.97Å; L60-P366 HydrophobicContact CD1-CG 4.05Å; L60-P366 HydrophobicContact CD2-CG 4.1Å; L60-P366 HydrophobicContact CG-CG 4.32Å; L60-E368 HydrophobicContact CD1-CB 3.88Å; L60-E368 HydrophobicContact CD1-CG 4.36Å; L60-V369 HydrophobicContact CB-CG2 4.24Å; L60-V369 HydrophobicContact CD1-CG2 4.42Å
61I73.8Confident69.9Low63 Ų6354.3 Ų54.332%0.32328%0.281SS..Hα-helixtrans-64.2-38.3177.8-66.3165000109.9Q57 K63 Q64 I68 L71Q57-I61 WeakPolarHBondContact O-CG1 3.26Å; Q57-I61 PolarHBondContact O-N 2.57Å; I61-K63 PolarHBondContact O-N 3.49Å; I61-Q64 PolarHBondContact O-N 3.05Å; I61-I68 HydrophobicContact CG2-CG2 4.41Å; I61-L71 HydrophobicContact CD1-CD1 3.71Å
62A69.5Low68.5Low8 Ų853.7 Ų53.77%0.06628%0.279CS..THydrogen-bonded Turntrans-66.2-1.1175.500000114.8K58 L60 R258 Y259K58-A62 WeakPolarHBondContact O-CB 3.49Å; K58-A62 PolarHBondContact O-N 3.38Å; L60-A62 VanDerWaalsContact C-N 3.28Å; L60-A62 PolarHBondContact O-N 2.86Å; A62-R258 PolarHBondContact O-NH1 2.99Å; A62-Y259 HydrophobicContact CB-CE2 3.74Å
63K67.9Low67.1Low63 Ų6353 Ų5327%0.27427%0.274SS..THydrogen-bonded Turntrans-94-16.4165.9-67-65.6-169.2-173.70113.3Y59 L60 I61 R256 V369Y59-K63 PolarHBondContact O-N 3.1Å; L60-K63 PolarHBondContact O-N 2.89Å; L60-K63 VanDerWaalsContact O-N 3.1Å; I61-K63 PolarHBondContact O-N 3.49Å; K63-R256 VanDerWaalsContact CD-NH1 3.32Å; K63-V369 WeakPolarHBondContact CE-O 3.39Å; K63-V369 PolarHBondContact NZ-O 3.13Å
64Q64.2Low65.8Low129 Ų12948.2 Ų48.260%0.60325%0.252SS*.SBendtrans-79.9145.3-179.1-62.7-160.2-3.600112.1I61 R258I61-Q64 PolarHBondContact O-N 3.05Å; Q64-R258 PolarHBondContact O-NH1 2.91Å; Q64-R258 PolarHBondContact O-NH2 3.29Å
65P53.1Low65Low126 Ų12648.2 Ų48.282%0.81825%0.252SS*.SBendtrans-74.2130.4169.826.5-26.4000110
66G55Low63.9Low55 Ų5548.5 Ų48.557%0.56725%0.253SS*.SBendtrans140.6176.9-176.800000112.9I68G66-I68 PolarHBondContact O-N 2.77Å
67Q46.3Very low63.1Low159 Ų15944.1 Ų44.174%0.74324%0.239SC*.PPolyproline II helixtrans-69.1121.2173.6-164.2170.313.100108.4
68I53.6Low62.2Low5 Ų540 Ų403%0.02622%0.223CC..PPolyproline II helixtrans-91.4131-176.5-61.4161000107.4I61 G66 E70 I196 R258I61-I68 HydrophobicContact CG2-CG2 4.41Å; G66-I68 PolarHBondContact O-N 2.77Å; I68-E70 PolarHBondContact O-N 2.75Å; I68-I196 HydrophobicContact CD1-CG2 4.2Å; I68-R258 VanDerWaalsContact CD1-CD 3.49Å; I68-R258 HydrophobicContact CD1-CG 4.16Å; I68-R258 VanDerWaalsContact CD1-NE 3.28Å
69D55.3Low61.8Low80 Ų8040.6 Ų40.643%0.42823%0.226SC..PPolyproline II helixtrans-71123.3165.9-69.8-30.5000108.2L71D69-L71 WeakPolarHBondContact O-CG 3.09Å; D69-L71 PolarHBondContact O-N 3.26Å; D69-L71 VanDerWaalsContact O-N 3.15Å
70E57.3Low62Low2 Ų241.1 Ų41.11%0.00923%0.228CC..PPolyproline II helixtrans-57.4121.7166.5-163.2166.3127.400108.4I68 L72 S101 S102 N103 I141 I196 A197 V198I68-E70 PolarHBondContact O-N 2.75Å; E70-L72 HydrophobicContact CG-CD2 4.02Å; E70-L72 HydrophobicContact CG-CG 4.47Å; E70-L72 WeakPolarHBondContact OE1-CD2 3.36Å; E70-S101 VanDerWaalsContact OE1-CB 3.27Å; E70-S101 WeakPolarHBondContact OE1-CB 3.3Å; E70-S102 PolarHBondContact OE1-N 3.19Å; E70-S102 VanDerWaalsContact OE2-C 3.3Å; E70-S102 VanDerWaalsContact OE2-CA 3.3Å; E70-S102 WeakPolarHBondContact OE2-CA 3.44Å; E70-S102 WeakPolarHBondContact OE2-CB 3.01Å; E70-S102 PolarHBondContact OE2-N 2.93Å; E70-N103 WeakPolarHBondContact OE1-CB 3.18Å; E70-N103 PolarHBondContact OE1-N 2.89Å; E70-N103 VanDerWaalsContact OE2-CG 3.22Å; E70-N103 PolarHBondContact OE2-N 3.34Å; E70-N103 PolarHBondContact OE2-OD1 3.19Å; E70-I141 HydrophobicContact CB-CG2 4.22Å; E70-I141 WeakPolarHBondContact O-CG2 3.29Å; E70-I196 WeakPolarHBondContact CA-O 3.38Å; E70-I196 VanDerWaalsContact CB-O 3.24Å; E70-I196 WeakPolarHBondContact CB-O 3.01Å; E70-I196 PolarHBondContact N-O 3.32Å; E70-A197 WeakPolarHBondContact OE2-CA 3.48Å; E70-V198 HydrophobicContact CB-CG2 3.5Å
71L55.3Low62.4Low9 Ų939.4 Ų39.45%0.04722%0.217CC..EExtended strand (participates in β ladder)trans-113.1100.1-179.1-78.6160.8000105.5F54 K58 I61 D69 R142F54-L71 HydrophobicContact CD2-CD2 4.3Å; F54-L71 VanDerWaalsContact CE1-C 3.49Å; F54-L71 HydrophobicContact CE1-CB 3.9Å; F54-L71 WeakPolarHBondContact CE1-O 3.35Å; F54-L71 HydrophobicContact CE2-CB 3.78Å; F54-L71 HydrophobicContact CE2-CD2 3.33Å; F54-L71 HydrophobicContact CE2-CG 4.11Å; F54-L71 HydrophobicContact CZ-CB 3.28Å; F54-L71 HydrophobicContact CZ-CD2 3.76Å; F54-L71 HydrophobicContact CZ-CG 4.1Å; K58-L71 HydrophobicContact CB-CB 4Å; K58-L71 HydrophobicContact CB-CD1 4.33Å; K58-L71 HydrophobicContact CD-CB 4.31Å; K58-L71 VanDerWaalsContact CD-O 3.29Å; K58-L71 WeakPolarHBondContact CD-O 3.03Å; K58-L71 WeakPolarHBondContact CE-O 3.15Å; K58-L71 HydrophobicContact CG-CB 3.93Å; K58-L71 PolarHBondContact NZ-O 2.84Å; K58-L71 VanDerWaalsContact NZ-O 3.12Å; I61-L71 HydrophobicContact CD1-CD1 3.71Å; D69-L71 WeakPolarHBondContact O-CG 3.09Å; D69-L71 PolarHBondContact O-N 3.26Å; D69-L71 VanDerWaalsContact O-N 3.15Å; L71-R142 WeakPolarHBondContact CA-O 3.27Å; L71-R142 HydrophobicContact CD2-CB 3.59Å
72L51.8Low63.2Low0 Ų036.4 Ų36.40%020%0.202CC..EExtended strand (participates in β ladder)trans-81.6126174.1-59.8-179.8000110.8F54 E70 Y75 W105 I141 R142 Y143 I188F54-L72 WeakPolarHBondContact CE1-O 3.24Å; F54-L72 WeakPolarHBondContact CZ-O 3.34Å; E70-L72 HydrophobicContact CG-CD2 4.02Å; E70-L72 HydrophobicContact CG-CG 4.47Å; E70-L72 WeakPolarHBondContact OE1-CD2 3.36Å; L72-Y75 HydrophobicContact CB-CE2 4.18Å; L72-Y75 WeakPolarHBondContact CD2-OH 3.07Å; L72-W105 VanDerWaalsContact CD1-NE1 3.34Å; L72-I141 HydrophobicContact CB-CG2 4.47Å; L72-I141 HydrophobicContact CD1-CB 4.45Å; L72-I141 HydrophobicContact CD1-CG2 3.56Å; L72-I141 HydrophobicContact CG-CG2 3.58Å; L72-R142 PolarHBondContact N-O 3.3Å; L72-Y143 HydrophobicContact CB-CD1 3.66Å; L72-Y143 HydrophobicContact CB-CE1 3.8Å; L72-Y143 HydrophobicContact CD1-CD1 4.44Å; L72-Y143 HydrophobicContact CD1-CE1 3.77Å; L72-Y143 HydrophobicContact CG-CE1 4.38Å; L72-Y143 WeakPolarHBondContact O-CA 3.33Å; L72-I188 HydrophobicContact CD1-CD1 4.19Å
73H55.6Low64.4Low4 Ų440 Ų402%0.01922%0.22CC..  trans-79.1168.2178.857.3-81.9000111.3W51 F54 Y75 D285 G287W51-H73 AromaticContact CD1-CD2 3.95Å; W51-H73 AromaticContact NE1-CD2 3.57Å; W51-H73 AromaticContact NE1-CG 3.77Å; F54-H73 HydrophobicContact CD1-CB 3.84Å; F54-H73 VanDerWaalsContact CE1-CA 3.45Å; F54-H73 HydrophobicContact CE1-CB 3.88Å; F54-H73 VanDerWaalsContact CE1-N 3.34Å; H73-Y75 AromaticContact CE1-CE1 3.98Å; H73-Y75 AromaticContact NE2-CE1 3.87Å; H73-Y75 WeakPolarHBondContact O-CD2 3.41Å; H73-Y75 WeakPolarHBondContact O-CE2 3.26Å; H73-Y75 PolarHBondContact O-N 3.01Å; H73-D285 IonicContact CE1-OD2 3.66Å; H73-G287 PolarHBondContact NE2-O 3.48Å
74N55.2Low65.8Low4 Ų437.3 Ų37.32%0.02121%0.209CC..  trans-71.9113.4177.1-136.6-9.6000108.3K47 M76 S145 A179K47-N74 WeakPolarHBondContact CD-ND2 3.33Å; N74-M76 HydrophobicContact CB-CG 4.08Å; N74-M76 PolarHBondContact O-N 2.62Å; N74-S145 PolarHBondContact ND2-OG 3.25Å; N74-A179 WeakPolarHBondContact OD1-CB 3.31Å
75Y61Low67.4Low5 Ų531.6 Ų31.62%0.0218%0.183CC..  trans-71.739.1-179.7-64.3-81.1000113.2L72 H73 D77 A78 I96 D98 F180 F185 I188L72-Y75 HydrophobicContact CB-CE2 4.18Å; L72-Y75 WeakPolarHBondContact CD2-OH 3.07Å; H73-Y75 AromaticContact CE1-CE1 3.98Å; H73-Y75 AromaticContact NE2-CE1 3.87Å; H73-Y75 WeakPolarHBondContact O-CD2 3.41Å; H73-Y75 WeakPolarHBondContact O-CE2 3.26Å; H73-Y75 PolarHBondContact O-N 3.01Å; Y75-D77 PolarHBondContact O-N 3.45Å; Y75-A78 HydrophobicContact CD1-CB 4.14Å; Y75-A78 HydrophobicContact CG-CB 4.39Å; Y75-A78 PolarHBondContact O-N 2.86Å; Y75-A78 VanDerWaalsContact O-N 3.15Å; Y75-I96 HydrophobicContact CD1-CD1 3.5Å; Y75-I96 HydrophobicContact CE1-CD1 4.21Å; Y75-I96 HydrophobicContact CE1-CG2 4.47Å; Y75-I96 HydrophobicContact CG-CD1 3.71Å; Y75-D98 HydrophobicContact CE1-CB 4.36Å; Y75-D98 WeakPolarHBondContact CE1-OD2 3.32Å; Y75-D98 PolarHBondContact OH-OD2 3.34Å; Y75-F180 HydrophobicContact CD2-CE1 4.46Å; Y75-F185 HydrophobicContact CG-CZ 4.29Å; Y75-I188 HydrophobicContact CD2-CD1 3.65Å; Y75-I188 HydrophobicContact CE1-CD1 4.2Å; Y75-I188 HydrophobicContact CE2-CD1 3.03Å; Y75-I188 HydrophobicContact CE2-CG1 4.32Å; Y75-I188 HydrophobicContact CG-CD1 4.46Å
76M61.3Low69.6Low10 Ų1025.6 Ų25.65%0.04914%0.144CC..THydrogen-bonded Turntrans-59.1-30177-69.2-65.1-61.900111.3S30 V31 A32 L35 K47 N74 A179S30-M76 CarbonylContact C-O 3.57Å; S30-M76 WeakPolarHBondContact CB-O 3.48Å; S30-M76 PolarHBondContact OG-O 3.03Å; V31-M76 HydrophobicContact CB-CE 3.61Å; V31-M76 HydrophobicContact CB-SD 3.74Å; V31-M76 HydrophobicContact CG1-CE 3.32Å; V31-M76 HydrophobicContact CG1-SD 3.62Å; V31-M76 HydrophobicContact CG2-SD 4.45Å; V31-M76 PolarHBondContact N-O 3.31Å; A32-M76 HydrophobicContact CB-CB 4.28Å; A32-M76 WeakPolarHBondContact CB-O 3.46Å; A32-M76 PolarHBondContact N-O 3.49Å; L35-M76 HydrophobicContact CD1-CE 3.36Å; L35-M76 HydrophobicContact CG-CE 4.34Å; K47-M76 HydrophobicContact CB-CE 4Å; K47-M76 HydrophobicContact CB-CG 4.07Å; K47-M76 HydrophobicContact CB-SD 4.24Å; K47-M76 HydrophobicContact CD-CE 4.48Å; K47-M76 HydrophobicContact CD-CG 4.47Å; K47-M76 HydrophobicContact CD-SD 3.97Å; K47-M76 HydrophobicContact CG-CE 3.87Å; K47-M76 HydrophobicContact CG-CG 4.47Å; K47-M76 HydrophobicContact CG-SD 4.01Å; N74-M76 HydrophobicContact CB-CG 4.08Å; N74-M76 PolarHBondContact O-N 2.62Å; M76-A179 HydrophobicContact SD-CB 4.06Å
77D64.7Low71.7Confident31 Ų3123.1 Ų23.117%0.16612%0.119CC..THydrogen-bonded Turntrans-100.8-0-178.9-52.5-52000113.3A32 Y75 Q79 S289A32-D77 WeakPolarHBondContact CB-OD1 3.39Å; Y75-D77 PolarHBondContact O-N 3.45Å; D77-Q79 WeakPolarHBondContact O-CG 3.46Å; D77-Q79 PolarHBondContact O-N 3.36Å; D77-S289 WeakPolarHBondContact CB-OG 3.24Å; D77-S289 PolarHBondContact O-OG 3.12Å
78A63.2Low74.1Confident19 Ų1918.4 Ų18.416%0.15710%0.101CC..  trans-65.3115.9179.900000111.4Y75 I96 F185Y75-A78 HydrophobicContact CD1-CB 4.14Å; Y75-A78 HydrophobicContact CG-CB 4.39Å; Y75-A78 PolarHBondContact O-N 2.86Å; Y75-A78 VanDerWaalsContact O-N 3.15Å; A78-I96 HydrophobicContact CB-CD1 3.24Å; A78-I96 HydrophobicContact CB-CG1 4.01Å; A78-F185 HydrophobicContact CB-CE1 4.29Å
79Q73.5Confident76.3Confident15 Ų1522.3 Ų22.37%0.0713%0.126CC..  trans-108.3-25.7-179.1-70.4176.512.900112.2F26 R27 K28 Q33 D77F26-Q79 VanDerWaalsContact O-O 3.11Å; R27-Q79 CarbonylContact C-O 3.5Å; R27-Q79 VanDerWaalsContact CA-O 3.27Å; R27-Q79 WeakPolarHBondContact CA-O 3.46Å; R27-Q79 HydrophobicContact CG-CB 4.17Å; R27-Q79 VanDerWaalsContact NE-OE1 3.12Å; K28-Q79 PolarHBondContact N-O 3.23Å; K28-Q79 WeakPolarHBondContact O-CG 3.18Å; Q33-Q79 VanDerWaalsContact NE2-NE2 3.12Å; Q33-Q79 VanDerWaalsContact OE1-NE2 3.14Å; D77-Q79 WeakPolarHBondContact O-CG 3.46Å; D77-Q79 PolarHBondContact O-N 3.36Å
80Y83.6Confident78.3Confident18 Ų1824.5 Ų24.57%0.07113%0.132CC..EExtended strand (participates in β ladder)trans-110.2125.8-168.7-51.7-75.2000111.5F26 R27 L223 G232 D377F26-Y80 WeakPolarHBondContact O-CA 3.29Å; R27-Y80 HydrophobicContact CB-CD1 4.38Å; R27-Y80 HydrophobicContact CB-CE1 4.19Å; R27-Y80 HydrophobicContact CG-CD1 4.41Å; R27-Y80 HydrophobicContact CG-CE1 3.93Å; Y80-L223 HydrophobicContact CD1-CD2 4.13Å; Y80-L223 HydrophobicContact CD2-CD1 4.18Å; Y80-L223 HydrophobicContact CD2-CD2 3.95Å; Y80-L223 HydrophobicContact CE1-CB 4.5Å; Y80-L223 HydrophobicContact CE1-CD2 4.31Å; Y80-L223 HydrophobicContact CE2-CD1 3.82Å; Y80-L223 HydrophobicContact CE2-CD2 4.15Å; Y80-L223 HydrophobicContact CE2-CG 4.41Å; Y80-L223 HydrophobicContact CG-CD2 3.94Å; Y80-G232 WeakPolarHBondContact CD1-O 3.34Å; Y80-G232 WeakPolarHBondContact CE1-O 3.39Å; Y80-D377 HydrophobicContact CE2-CB 4.29Å
81Y88.4Confident80.3Confident23 Ų2325.8 Ų25.89%0.0914%0.138CC..EExtended strand (participates in β ladder)trans-140.5152.3175.257.7-88.7000110.4L25 F26 K28 T94 V95 H184L25-Y81 WeakPolarHBondContact CA-O 3.4Å; F26-Y81 HydrophobicContact CB-CD2 4.34Å; F26-Y81 HydrophobicContact CB-CE1 4.28Å; F26-Y81 HydrophobicContact CB-CE2 3.71Å; F26-Y81 HydrophobicContact CD2-CE2 4.27Å; F26-Y81 HydrophobicContact CG-CE2 4.35Å; F26-Y81 PolarHBondContact N-O 3.2Å; F26-Y81 PolarHBondContact O-N 3.41Å; K28-Y81 HydrophobicContact CB-CE1 3.96Å; K28-Y81 HydrophobicContact CD-CE1 3.73Å; K28-Y81 WeakPolarHBondContact CD-OH 2.91Å; K28-Y81 WeakPolarHBondContact CE-OH 3.36Å; K28-Y81 HydrophobicContact CG-CE1 3.73Å; K28-Y81 WeakPolarHBondContact CG-OH 3.04Å; K28-Y81 PolarHBondContact NZ-OH 3.38Å; Y81-T94 HydrophobicContact CD2-CG2 3.95Å; Y81-T94 HydrophobicContact CE2-CG2 4.2Å; Y81-V95 CarbonylContact C-O 3.46Å; Y81-V95 WeakPolarHBondContact CA-O 3.34Å; Y81-V95 VanDerWaalsContact CB-O 3.32Å; Y81-V95 WeakPolarHBondContact CB-O 3.2Å; Y81-H184 HydrophobicContact CE1-CB 4.39Å
82G91.6Very high82.3Confident0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-132.7166.9176.100000111.8T94 V95G82-T94 WeakPolarHBondContact O-CA 3.46Å; G82-V95 PolarHBondContact N-O 3.48Å; G82-V95 PolarHBondContact O-N 3.11Å
83D94.6Very high84.4Confident83 Ų8330 Ų3044%0.44416%0.161SC..EExtended strand (participates in β ladder)trans-87.3138.1-177-76-40.6000112.1F93 T94D83-F93 WeakPolarHBondContact CA-O 3.5Å; D83-T94 WeakPolarHBondContact OD1-CG2 3.44Å
84I97.3Very high86.3Confident7 Ų730.7 Ų30.74%0.03617%0.165CC..EExtended strand (participates in β ladder)trans-132.5169.1171.169.5165.4000109.8N92 F93 V95 F97 F104 C158 V159 L189I84-N92 CarbonylContact O-C 3.46Å; I84-N92 VanDerWaalsContact O-CA 3.32Å; I84-N92 WeakPolarHBondContact O-CA 3.24Å; I84-F93 HydrophobicContact CD1-CB 4.43Å; I84-F93 HydrophobicContact CG1-CB 3.92Å; I84-F93 PolarHBondContact N-O 2.98Å; I84-F93 PolarHBondContact O-N 3.39Å; I84-V95 HydrophobicContact CD1-CB 4.48Å; I84-V95 HydrophobicContact CD1-CG1 3.54Å; I84-V95 HydrophobicContact CD1-CG2 4.11Å; I84-V95 HydrophobicContact CG1-CG1 3.91Å; I84-V95 HydrophobicContact CG1-CG2 4.22Å; I84-V95 HydrophobicContact CG2-CG2 3.64Å; I84-F97 HydrophobicContact CG2-CZ 3.9Å; I84-F104 HydrophobicContact CD1-CD2 4.46Å; I84-F104 HydrophobicContact CD1-CE1 4.45Å; I84-F104 HydrophobicContact CD1-CE2 3.3Å; I84-F104 HydrophobicContact CD1-CZ 3.29Å; I84-C158 WeakPolarHBondContact CA-O 3.34Å; I84-V159 HydrophobicContact CB-CG2 4.13Å; I84-V159 HydrophobicContact CG2-CG2 3.29Å; I84-L189 HydrophobicContact CG2-CD1 4.18Å
85S98.3Very high88.1Confident9 Ų930.5 Ų30.56%0.06316%0.164CC..EExtended strand (participates in β ladder)trans-136.5145.4171.268.60000112.8K90 Q91 N92 A157 C158S85-K90 WeakPolarHBondContact OG-CD 3.28Å; S85-Q91 CarbonylContact C-O 3.58Å; S85-Q91 VanDerWaalsContact CA-O 3.26Å; S85-Q91 WeakPolarHBondContact CA-O 3.32Å; S85-N92 WeakPolarHBondContact CB-OD1 3.34Å; S85-A157 CarbonylContact O-C 3.48Å; S85-A157 WeakPolarHBondContact O-CA 3.46Å; S85-C158 PolarHBondContact N-O 2.88Å; S85-C158 PolarHBondContact O-N 3.45Å; S85-C158 WeakPolarHBondContact OG-CB 3.38Å
86I98.7Very high89.5Confident0 Ų030.5 Ų30.50%016%0.164CC..EExtended strand (participates in β ladder)trans-123.7133.8176.2-46.4174.8000109.9Q91 F93 F104 V106 Y124 D155 T156 F169I86-Q91 PolarHBondContact N-O 2.87Å; I86-Q91 WeakPolarHBondContact O-CB 3.5Å; I86-Q91 PolarHBondContact O-N 2.76Å; I86-F93 HydrophobicContact CB-CE2 4.22Å; I86-F93 HydrophobicContact CD1-CD2 3.94Å; I86-F93 HydrophobicContact CD1-CE2 3.85Å; I86-F93 HydrophobicContact CG1-CD2 3.99Å; I86-F93 HydrophobicContact CG1-CE2 4.02Å; I86-F104 HydrophobicContact CD1-CE1 3.97Å; I86-F104 HydrophobicContact CD1-CE2 4.43Å; I86-F104 HydrophobicContact CD1-CZ 3.44Å; I86-F104 VanDerWaalsContact CD1-CZ 3.44Å; I86-F104 HydrophobicContact CG1-CE1 4.28Å; I86-F104 HydrophobicContact CG1-CZ 3.87Å; I86-V106 HydrophobicContact CD1-CB 4.39Å; I86-V106 HydrophobicContact CD1-CG1 3.95Å; I86-V106 HydrophobicContact CD1-CG2 3.54Å; I86-Y124 HydrophobicContact CB-CD2 4.03Å; I86-Y124 HydrophobicContact CB-CE2 4.12Å; I86-Y124 HydrophobicContact CD1-CD2 4.43Å; I86-Y124 HydrophobicContact CG2-CD2 3.86Å; I86-Y124 HydrophobicContact CG2-CE2 3.54Å; I86-D155 HydrophobicContact CG2-CB 3.84Å; I86-T156 CarbonylContact C-O 3.5Å; I86-T156 WeakPolarHBondContact CA-O 3.36Å; I86-F169 HydrophobicContact CD1-CD2 4.24Å; I86-F169 HydrophobicContact CD1-CE2 3.98Å; I86-F169 HydrophobicContact CD1-CZ 4.21Å; I86-F169 HydrophobicContact CG2-CE1 3.8Å; I86-F169 HydrophobicContact CG2-CZ 3.84Å
87G98.5Very high91.1Very high3 Ų330.2 Ų30.23%0.03116%0.163CC..THydrogen-bonded Turntrans87.1179.3168.800000116.8P89 K90 S129 D155 T156G87-P89 CarbonylContact C-O 3.47Å; G87-P89 VanDerWaalsContact C-O 3.28Å; G87-P89 CarbonylContact O-C 3.56Å; G87-P89 VanDerWaalsContact O-C 3.3Å; G87-K90 VanDerWaalsContact O-CA 3.3Å; G87-K90 WeakPolarHBondContact O-CA 3.36Å; G87-K90 PolarHBondContact O-N 2.79Å; G87-S129 WeakPolarHBondContact CA-OG 3.36Å; G87-D155 VanDerWaalsContact CA-CG 3.46Å; G87-D155 WeakPolarHBondContact CA-OD1 3.21Å; G87-D155 VanDerWaalsContact CA-OD2 3.24Å; G87-D155 WeakPolarHBondContact CA-OD2 3.5Å; G87-T156 PolarHBondContact N-O 3.18Å
88T98.3Very high92.4Very high60 Ų6028.7 Ų28.737%0.36816%0.155SC..THydrogen-bonded Turntrans-131.6107.1-177.8-54.80000111.2S129 K130 T131T88-S129 PolarHBondContact N-OG 3.1Å; T88-S129 CarbonylContact O-C 3.53Å; T88-S129 WeakPolarHBondContact O-CA 3.32Å; T88-K130 PolarHBondContact O-N 2.78Å; T88-T131 WeakPolarHBondContact CB-OG1 3.14Å; T88-T131 PolarHBondContact N-OG1 3.16Å; T88-T131 VanDerWaalsContact OG1-CG2 3.26Å; T88-T131 WeakPolarHBondContact OG1-CG2 3.47Å; T88-T131 PolarHBondContact OG1-OG1 3.38Å
89P98.1Very high93.9Very high86 Ų8627.8 Ų27.856%0.55815%0.147SC*.THydrogen-bonded Turncis-63.1156.8-1.628-38.2000113.5G87 Q91 K128G87-P89 CarbonylContact C-O 3.47Å; G87-P89 VanDerWaalsContact C-O 3.28Å; G87-P89 CarbonylContact O-C 3.56Å; G87-P89 VanDerWaalsContact O-C 3.3Å; P89-Q91 PolarHBondContact O-N 3.15Å; P89-K128 WeakPolarHBondContact CD-O 3.23Å
90K98.2Very high94.6Very high127 Ų12727.1 Ų27.155%0.55214%0.144SC*.THydrogen-bonded Turntrans-59.1129.6-179.9-72.5-178.3176.5-173.60111.3S85 G87S85-K90 WeakPolarHBondContact OG-CD 3.28Å; G87-K90 VanDerWaalsContact O-CA 3.3Å; G87-K90 WeakPolarHBondContact O-CA 3.36Å; G87-K90 PolarHBondContact O-N 2.79Å
91Q98.5Very high95Very high28 Ų2826.2 Ų26.213%0.13114%0.14CC..EExtended strand (participates in β ladder)trans-108.5118.4168.7-61.8173.373.500107.6S85 I86 P89 F93 N125S85-Q91 CarbonylContact C-O 3.58Å; S85-Q91 VanDerWaalsContact CA-O 3.26Å; S85-Q91 WeakPolarHBondContact CA-O 3.32Å; I86-Q91 PolarHBondContact N-O 2.87Å; I86-Q91 WeakPolarHBondContact O-CB 3.5Å; I86-Q91 PolarHBondContact O-N 2.76Å; P89-Q91 PolarHBondContact O-N 3.15Å; Q91-F93 HydrophobicContact CB-CE2 3.84Å; Q91-F93 HydrophobicContact CB-CZ 4.28Å; Q91-F93 VanDerWaalsContact O-CD2 3.26Å; Q91-F93 WeakPolarHBondContact O-CD2 3.28Å; Q91-F93 VanDerWaalsContact O-CE2 3.22Å; Q91-F93 WeakPolarHBondContact O-CE2 3.33Å; Q91-N125 PolarHBondContact NE2-O 2.92Å; Q91-N125 VanDerWaalsContact NE2-O 3.07Å
92N97.6Very high95.2Very high97 Ų9725.2 Ų25.252%0.51914%0.136SC..EExtended strand (participates in β ladder)trans-87.4143.5-172.1-62.4-16.2000111.7I84 S85 K122I84-N92 CarbonylContact O-C 3.46Å; I84-N92 VanDerWaalsContact O-CA 3.32Å; I84-N92 WeakPolarHBondContact O-CA 3.24Å; S85-N92 WeakPolarHBondContact CB-OD1 3.34Å; N92-K122 WeakPolarHBondContact O-CD 3.13Å
93F97.2Very high95.3Very high2 Ų225.2 Ų25.21%0.00914%0.136CC..EExtended strand (participates in β ladder)trans-138.5150.8176.6-60.9-90.5000109.8D83 I84 I86 Q91 V95 V106 K122 D186D83-F93 WeakPolarHBondContact CA-O 3.5Å; I84-F93 HydrophobicContact CD1-CB 4.43Å; I84-F93 HydrophobicContact CG1-CB 3.92Å; I84-F93 PolarHBondContact N-O 2.98Å; I84-F93 PolarHBondContact O-N 3.39Å; I86-F93 HydrophobicContact CB-CE2 4.22Å; I86-F93 HydrophobicContact CD1-CD2 3.94Å; I86-F93 HydrophobicContact CD1-CE2 3.85Å; I86-F93 HydrophobicContact CG1-CD2 3.99Å; I86-F93 HydrophobicContact CG1-CE2 4.02Å; Q91-F93 HydrophobicContact CB-CE2 3.84Å; Q91-F93 HydrophobicContact CB-CZ 4.28Å; Q91-F93 VanDerWaalsContact O-CD2 3.26Å; Q91-F93 WeakPolarHBondContact O-CD2 3.28Å; Q91-F93 VanDerWaalsContact O-CE2 3.22Å; Q91-F93 WeakPolarHBondContact O-CE2 3.33Å; F93-V95 HydrophobicContact CB-CG1 4.41Å; F93-V106 HydrophobicContact CB-CG1 4.25Å; F93-V106 HydrophobicContact CD1-CB 4Å; F93-V106 HydrophobicContact CD1-CG1 3.98Å; F93-V106 HydrophobicContact CD2-CG1 4.36Å; F93-V106 HydrophobicContact CE1-CB 4.09Å; F93-V106 HydrophobicContact CE1-CG1 4.48Å; F93-V106 HydrophobicContact CE1-CG2 4.28Å; F93-V106 HydrophobicContact CG-CB 4.41Å; F93-V106 HydrophobicContact CG-CG1 3.93Å; F93-V106 HydrophobicContact CZ-CG2 4.33Å; F93-K122 HydrophobicContact CD1-CB 3.94Å; F93-K122 HydrophobicContact CE1-CB 3.99Å; F93-D186 WeakPolarHBondContact CA-OD2 3.37Å; F93-D186 HydrophobicContact CB-CB 4.24Å; F93-D186 HydrophobicContact CD1-CB 3.93Å
94T93.6Very high95.4Very high18 Ų1821.4 Ų21.411%0.1112%0.116CC..EExtended strand (participates in β ladder)trans-96.2131166.249.60000108.5Y81 G82 D83 F185 D186 G187Y81-T94 HydrophobicContact CD2-CG2 3.95Å; Y81-T94 HydrophobicContact CE2-CG2 4.2Å; G82-T94 WeakPolarHBondContact O-CA 3.46Å; D83-T94 WeakPolarHBondContact OD1-CG2 3.44Å; T94-F185 WeakPolarHBondContact OG1-CA 3.36Å; T94-D186 PolarHBondContact N-OD2 3.5Å; T94-D186 WeakPolarHBondContact O-CA 3.14Å; T94-D186 WeakPolarHBondContact O-CB 3.3Å; T94-D186 PolarHBondContact O-N 2.88Å; T94-D186 PolarHBondContact OG1-N 3.32Å; T94-D186 PolarHBondContact OG1-OD2 3.02Å; T94-G187 PolarHBondContact O-N 3.45Å; T94-G187 VanDerWaalsContact O-N 3.15Å
95V93.4Very high95.3Very high0 Ų021.1 Ų21.10%011%0.114CC..EExtended strand (participates in β ladder)trans-135.7151.7-179.1-59.10000112.4Y81 G82 I84 F93 F97 V106 G187 L189Y81-V95 CarbonylContact C-O 3.46Å; Y81-V95 WeakPolarHBondContact CA-O 3.34Å; Y81-V95 VanDerWaalsContact CB-O 3.32Å; Y81-V95 WeakPolarHBondContact CB-O 3.2Å; G82-V95 PolarHBondContact N-O 3.48Å; G82-V95 PolarHBondContact O-N 3.11Å; I84-V95 HydrophobicContact CD1-CB 4.48Å; I84-V95 HydrophobicContact CD1-CG1 3.54Å; I84-V95 HydrophobicContact CD1-CG2 4.11Å; I84-V95 HydrophobicContact CG1-CG1 3.91Å; I84-V95 HydrophobicContact CG1-CG2 4.22Å; I84-V95 HydrophobicContact CG2-CG2 3.64Å; F93-V95 HydrophobicContact CB-CG1 4.41Å; V95-F97 HydrophobicContact CG2-CD2 4.29Å; V95-F97 HydrophobicContact CG2-CE2 3.88Å; V95-F97 HydrophobicContact CG2-CZ 4.03Å; V95-V106 HydrophobicContact CG1-CG1 4.48Å; V95-G187 WeakPolarHBondContact CA-O 3.42Å; V95-G187 WeakPolarHBondContact CB-O 3.44Å; V95-L189 HydrophobicContact CB-CB 4.38Å; V95-L189 HydrophobicContact CG2-CB 3.88Å; V95-L189 HydrophobicContact CG2-CD1 4.46Å
96I90.9Very high95.1Very high4 Ų420.7 Ų20.72%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-77.3135.2161.7-60.5167.1000108Y75 A78 D98 F185 G187 L189Y75-I96 HydrophobicContact CD1-CD1 3.5Å; Y75-I96 HydrophobicContact CE1-CD1 4.21Å; Y75-I96 HydrophobicContact CE1-CG2 4.47Å; Y75-I96 HydrophobicContact CG-CD1 3.71Å; A78-I96 HydrophobicContact CB-CD1 3.24Å; A78-I96 HydrophobicContact CB-CG1 4.01Å; I96-D98 HydrophobicContact CG2-CB 4.04Å; I96-F185 HydrophobicContact CD1-CD1 3.55Å; I96-F185 HydrophobicContact CD1-CD2 3.92Å; I96-F185 HydrophobicContact CD1-CE1 3.38Å; I96-F185 HydrophobicContact CD1-CE2 3.73Å; I96-F185 HydrophobicContact CD1-CG 3.84Å; I96-F185 HydrophobicContact CD1-CZ 3.46Å; I96-F185 VanDerWaalsContact CD1-CZ 3.46Å; I96-F185 HydrophobicContact CG1-CB 4.28Å; I96-F185 HydrophobicContact CG1-CD1 3.82Å; I96-F185 HydrophobicContact CG1-CD2 4.11Å; I96-F185 HydrophobicContact CG1-CE1 4.18Å; I96-F185 HydrophobicContact CG1-CE2 4.42Å; I96-F185 HydrophobicContact CG1-CG 3.8Å; I96-F185 HydrophobicContact CG1-CZ 4.46Å; I96-G187 PolarHBondContact N-O 3.05Å; I96-G187 VanDerWaalsContact N-O 3.15Å; I96-L189 PolarHBondContact O-N 3.22Å
97F94.2Very high94.9Very high4 Ų420.7 Ų20.72%0.01811%0.111CC..EExtended strand (participates in β ladder)trans-95.7102.4167.8-65.6-98.3000108.2V23 L25 I84 V95 V159 L189 M191 F221 I235 F237 T286V23-F97 HydrophobicContact CG1-CE2 4.13Å; V23-F97 HydrophobicContact CG1-CZ 4.18Å; V23-F97 HydrophobicContact CG2-CZ 4.35Å; L25-F97 HydrophobicContact CD2-CD2 3.96Å; L25-F97 HydrophobicContact CD2-CE2 4.24Å; I84-F97 HydrophobicContact CG2-CZ 3.9Å; V95-F97 HydrophobicContact CG2-CD2 4.29Å; V95-F97 HydrophobicContact CG2-CE2 3.88Å; V95-F97 HydrophobicContact CG2-CZ 4.03Å; F97-V159 HydrophobicContact CE1-CG2 3.87Å; F97-V159 HydrophobicContact CZ-CG2 4.07Å; F97-L189 WeakPolarHBondContact CA-O 3.35Å; F97-L189 HydrophobicContact CD1-CB 4.44Å; F97-L189 HydrophobicContact CD1-CD1 4.34Å; F97-L189 HydrophobicContact CD1-CD2 4.06Å; F97-L189 HydrophobicContact CE1-CD1 3.9Å; F97-L189 HydrophobicContact CE1-CD2 4.37Å; F97-M191 HydrophobicContact CB-CG 4.14Å; F97-M191 HydrophobicContact CD1-CG 4.42Å; F97-M191 HydrophobicContact CD1-SD 4.21Å; F97-F221 HydrophobicContact CB-CE1 4.24Å; F97-F221 HydrophobicContact CB-CZ 3.71Å; F97-I235 HydrophobicContact CB-CD1 3.35Å; F97-I235 HydrophobicContact CD1-CD1 3.62Å; F97-I235 HydrophobicContact CD2-CD1 3.38Å; F97-I235 HydrophobicContact CE1-CD1 4.21Å; F97-I235 HydrophobicContact CE2-CD1 4.02Å; F97-I235 HydrophobicContact CG-CD1 3.15Å; F97-I235 HydrophobicContact CZ-CD1 4.39Å; F97-F237 HydrophobicContact CD1-CZ 4.21Å; F97-F237 HydrophobicContact CE1-CE2 4.4Å; F97-F237 AromaticContact CE1-CZ 3.93Å; F97-F237 HydrophobicContact CE1-CZ 3.93Å; F97-T286 PolarHBondContact O-OG1 3Å
98D92.8Very high94.9Very high0 Ų020.5 Ų20.50%011%0.11CC..EExtended strand (participates in β ladder)trans-111.5108.9-165.6174.917.5000111Y75 I96 G100 S101 I188 L189 M191 G287Y75-D98 HydrophobicContact CE1-CB 4.36Å; Y75-D98 WeakPolarHBondContact CE1-OD2 3.32Å; Y75-D98 PolarHBondContact OH-OD2 3.34Å; I96-D98 HydrophobicContact CG2-CB 4.04Å; D98-G100 PolarHBondContact O-N 3.47Å; D98-G100 WeakPolarHBondContact OD1-CA 3.44Å; D98-G100 PolarHBondContact OD1-N 3.09Å; D98-S101 WeakPolarHBondContact CB-OG 3.47Å; D98-S101 PolarHBondContact O-N 3.07Å; D98-S101 VanDerWaalsContact O-O 3.1Å; D98-S101 PolarHBondContact O-OG 3.29Å; D98-S101 WeakPolarHBondContact OD2-CB 3.45Å; D98-S101 PolarHBondContact OD2-OG 2.96Å; D98-I188 HydrophobicContact CB-CG2 4.01Å; D98-L189 PolarHBondContact N-O 3.4Å; D98-L189 VanDerWaalsContact N-O 3.08Å; D98-M191 PolarHBondContact O-N 3.36Å; D98-G287 WeakPolarHBondContact OD1-CA 3.33Å; D98-G287 PolarHBondContact OD1-N 3.15Å
99T93.9Very high94.7Very high0 Ų019.6 Ų19.60%011%0.106CC..THydrogen-bonded Turntrans-74.7-11.5177.960.70000113.2S101 M191 F219 F221 A284 D285 T286 F387T99-S101 VanDerWaalsContact C-N 3.3Å; T99-M191 HydrophobicContact CG2-CB 3.84Å; T99-F219 HydrophobicContact CG2-CE2 3.89Å; T99-F219 HydrophobicContact CG2-CZ 4.15Å; T99-F221 HydrophobicContact CG2-CE2 4.31Å; T99-A284 PolarHBondContact OG1-O 2.04Å; T99-D285 VanDerWaalsContact OG1-CA 3.29Å; T99-D285 WeakPolarHBondContact OG1-CA 3.48Å; T99-T286 HydrophobicContact CG2-CG2 3.86Å; T99-T286 WeakPolarHBondContact CG2-OG1 3.38Å; T99-T286 PolarHBondContact N-OG1 3.22Å; T99-T286 PolarHBondContact OG1-N 3.44Å; T99-T286 PolarHBondContact OG1-OG1 3.39Å; T99-F387 HydrophobicContact CG2-CD1 4.41Å; T99-F387 HydrophobicContact CG2-CE1 3.91Å; T99-F387 HydrophobicContact CG2-CE2 4.06Å; T99-F387 HydrophobicContact CG2-CZ 3.72Å
100G89.8Confident94.6Very high0 Ų019.9 Ų19.90%010%0.099CC..THydrogen-bonded Turntrans-82.40.3172.400000114.6K58 D98 D285K58-G100 PolarHBondContact NZ-O 2.79Å; D98-G100 PolarHBondContact O-N 3.47Å; D98-G100 WeakPolarHBondContact OD1-CA 3.44Å; D98-G100 PolarHBondContact OD1-N 3.09Å; G100-D285 WeakPolarHBondContact CA-OD1 3.25Å; G100-D285 PolarHBondContact N-OD1 2.82Å
101S90.5Very high94.2Very high0 Ų014.4 Ų14.40%08%0.076CC..  trans-145.9168.8-176.969.80000113.2E70 D98 T99 G190 M191 G192E70-S101 VanDerWaalsContact OE1-CB 3.27Å; E70-S101 WeakPolarHBondContact OE1-CB 3.3Å; D98-S101 WeakPolarHBondContact CB-OG 3.47Å; D98-S101 PolarHBondContact O-N 3.07Å; D98-S101 VanDerWaalsContact O-O 3.1Å; D98-S101 PolarHBondContact O-OG 3.29Å; D98-S101 WeakPolarHBondContact OD2-CB 3.45Å; D98-S101 PolarHBondContact OD2-OG 2.96Å; T99-S101 VanDerWaalsContact C-N 3.3Å; S101-G190 CarbonylContact O-C 3.56Å; S101-G190 VanDerWaalsContact O-C 3.24Å; S101-G190 WeakPolarHBondContact O-CA 3.44Å; S101-M191 PolarHBondContact O-N 3.3Å; S101-G192 WeakPolarHBondContact O-CA 3.32Å; S101-G192 PolarHBondContact O-N 2.88Å
102S93.6Very high93.7Very high1 Ų115.8 Ų15.81%0.0079%0.089CC..  trans-134.7-13.9-171.2-71.10000115.1E70 G192 Y193 I196E70-S102 PolarHBondContact OE1-N 3.19Å; E70-S102 VanDerWaalsContact OE2-C 3.3Å; E70-S102 VanDerWaalsContact OE2-CA 3.3Å; E70-S102 WeakPolarHBondContact OE2-CA 3.44Å; E70-S102 WeakPolarHBondContact OE2-CB 3.01Å; E70-S102 PolarHBondContact OE2-N 2.93Å; S102-G192 WeakPolarHBondContact OG-CA 3.44Å; S102-G192 PolarHBondContact OG-O 3.01Å; S102-Y193 PolarHBondContact OG-N 3.31Å; S102-Y193 PolarHBondContact OG-O 3.03Å; S102-I196 WeakPolarHBondContact OG-CD1 3.49Å; S102-I196 WeakPolarHBondContact OG-CG1 3.29Å
103N93.8Very high92.8Very high0 Ų018.9 Ų18.90%010%0.098CC..  trans-83.5142.2175.1-70127.7000110.4E70 I141 G190 V198E70-N103 WeakPolarHBondContact OE1-CB 3.18Å; E70-N103 PolarHBondContact OE1-N 2.89Å; E70-N103 VanDerWaalsContact OE2-CG 3.22Å; E70-N103 PolarHBondContact OE2-N 3.34Å; E70-N103 PolarHBondContact OE2-OD1 3.19Å; N103-I141 HydrophobicContact CB-CD1 3.5Å; N103-I141 VanDerWaalsContact CB-CD1 3.5Å; N103-I141 WeakPolarHBondContact OD1-CD1 3.33Å; N103-G190 PolarHBondContact O-N 3.1Å; N103-V198 PolarHBondContact ND2-N 3.38Å; N103-V198 PolarHBondContact ND2-O 3.19Å; N103-V198 VanDerWaalsContact OD1-CB 3.28Å; N103-V198 WeakPolarHBondContact OD1-CB 3.45Å; N103-V198 PolarHBondContact OD1-N 2.86Å
104F96.1Very high92.1Very high3 Ų327.3 Ų27.31%0.01314%0.135CC..EExtended strand (participates in β ladder)trans-100.1126.6167171.7-143.7000109.1I84 I86 V106 A157 Q167 F169 V170 I188 L189 V204I84-F104 HydrophobicContact CD1-CD2 4.46Å; I84-F104 HydrophobicContact CD1-CE1 4.45Å; I84-F104 HydrophobicContact CD1-CE2 3.3Å; I84-F104 HydrophobicContact CD1-CZ 3.29Å; I86-F104 HydrophobicContact CD1-CE1 3.97Å; I86-F104 HydrophobicContact CD1-CE2 4.43Å; I86-F104 HydrophobicContact CD1-CZ 3.44Å; I86-F104 VanDerWaalsContact CD1-CZ 3.44Å; I86-F104 HydrophobicContact CG1-CE1 4.28Å; I86-F104 HydrophobicContact CG1-CZ 3.87Å; F104-V106 HydrophobicContact CE2-CG1 3.76Å; F104-V106 HydrophobicContact CZ-CG1 4.14Å; F104-A157 HydrophobicContact CE1-CB 3.97Å; F104-Q167 HydrophobicContact CD1-CG 4.13Å; F104-F169 HydrophobicContact CB-CB 4.23Å; F104-F169 HydrophobicContact CD1-CB 3.3Å; F104-F169 HydrophobicContact CD1-CG 4.12Å; F104-F169 HydrophobicContact CE1-CB 3.72Å; F104-F169 HydrophobicContact CE1-CG 4.02Å; F104-F169 HydrophobicContact CG-CB 3.87Å; F104-F169 CarbonylContact O-C 3.5Å; F104-F169 WeakPolarHBondContact O-CA 3.49Å; F104-F169 WeakPolarHBondContact O-CB 3.47Å; F104-V170 PolarHBondContact O-N 2.93Å; F104-I188 WeakPolarHBondContact CA-O 3.25Å; F104-I188 WeakPolarHBondContact CD2-O 3.49Å; F104-L189 HydrophobicContact CD2-CB 4.1Å; F104-L189 HydrophobicContact CD2-CG 4.19Å; F104-L189 HydrophobicContact CG-CG 4.47Å; F104-V204 HydrophobicContact CB-CG2 3.89Å; F104-V204 HydrophobicContact CD1-CG2 3.71Å; F104-V204 HydrophobicContact CG-CG2 3.95Å
105W94.8Very high91.4Very high1 Ų127.2 Ų27.20%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-144.6149.217768.4-98.1000113.1L72 M148 V170 A172 F180 G187 I188L72-W105 VanDerWaalsContact CD1-NE1 3.34Å; W105-M148 HydrophobicContact CB-CE 3.7Å; W105-M148 HydrophobicContact CD2-CE 4.12Å; W105-M148 HydrophobicContact CD2-CG 4.46Å; W105-M148 HydrophobicContact CG-CE 3.6Å; W105-V170 VanDerWaalsContact CA-O 3.29Å; W105-V170 WeakPolarHBondContact CA-O 3.48Å; W105-V170 HydrophobicContact CB-CB 3.76Å; W105-V170 HydrophobicContact CB-CG2 4.48Å; W105-V170 WeakPolarHBondContact CB-O 2.92Å; W105-A172 HydrophobicContact CE3-CB 4.08Å; W105-F180 HydrophobicContact CH2-CD1 4.02Å; W105-F180 AromaticContact CH2-CE1 3.79Å; W105-F180 HydrophobicContact CH2-CE1 3.79Å; W105-F180 AromaticContact CZ2-CE1 3.85Å; W105-F180 HydrophobicContact CZ2-CE1 3.85Å; W105-F180 HydrophobicContact CZ2-CZ 4.36Å; W105-G187 WeakPolarHBondContact O-CA 3.43Å; W105-I188 HydrophobicContact CH2-CD1 4.37Å; W105-I188 HydrophobicContact CH2-CG1 4.3Å; W105-I188 HydrophobicContact CZ2-CB 4.23Å; W105-I188 HydrophobicContact CZ2-CD1 3.34Å; W105-I188 HydrophobicContact CZ2-CG1 3.56Å; W105-I188 PolarHBondContact N-O 2.63Å; W105-I188 PolarHBondContact O-N 3.44Å; W105-I188 VanDerWaalsContact O-N 3.09Å
106V95.6Very high90.8Very high0 Ų032.7 Ų32.70%016%0.162CC..EExtended strand (participates in β ladder)trans-140159173.2-65.40000110.9I86 F93 V95 F104 F169 V170 A172I86-V106 HydrophobicContact CD1-CB 4.39Å; I86-V106 HydrophobicContact CD1-CG1 3.95Å; I86-V106 HydrophobicContact CD1-CG2 3.54Å; F93-V106 HydrophobicContact CB-CG1 4.25Å; F93-V106 HydrophobicContact CD1-CB 4Å; F93-V106 HydrophobicContact CD1-CG1 3.98Å; F93-V106 HydrophobicContact CD2-CG1 4.36Å; F93-V106 HydrophobicContact CE1-CB 4.09Å; F93-V106 HydrophobicContact CE1-CG1 4.48Å; F93-V106 HydrophobicContact CE1-CG2 4.28Å; F93-V106 HydrophobicContact CG-CB 4.41Å; F93-V106 HydrophobicContact CG-CG1 3.93Å; F93-V106 HydrophobicContact CZ-CG2 4.33Å; V95-V106 HydrophobicContact CG1-CG1 4.48Å; F104-V106 HydrophobicContact CE2-CG1 3.76Å; F104-V106 HydrophobicContact CZ-CG1 4.14Å; V106-F169 HydrophobicContact CG2-CD2 3.99Å; V106-F169 HydrophobicContact CG2-CE2 3.73Å; V106-V170 PolarHBondContact N-O 2.95Å; V106-V170 VanDerWaalsContact N-O 3.1Å; V106-A172 PolarHBondContact O-N 3Å
107P94.7Very high90.2Very high0 Ų032.6 Ų32.60%016%0.161CC..EExtended strand (participates in β ladder)trans-61.7138.2177.8-18.832.1000111.1H121 K122 R123 Y124 D186P107-H121 HydrophobicContact CG-CB 4.08Å; P107-K122 WeakPolarHBondContact CB-O 3.27Å; P107-K122 WeakPolarHBondContact CG-O 3.49Å; P107-R123 HydrophobicContact CB-CG 3.94Å; P107-R123 CarbonylContact O-C 3.41Å; P107-R123 VanDerWaalsContact O-CA 3.31Å; P107-R123 WeakPolarHBondContact O-CA 3.22Å; P107-Y124 PolarHBondContact O-N 2.87Å; P107-D186 WeakPolarHBondContact CD-O 3.43Å; P107-D186 WeakPolarHBondContact CG-O 3.48Å
108S96.8Very high89.7Confident0 Ų032.4 Ų32.40%016%0.16CC..BIsolated β-bridgetrans-90.5144.7178.2-173.20000111.5K110 C111 C118 E171 A172S108-K110 PolarHBondContact O-N 2.96Å; S108-K110 VanDerWaalsContact O-N 3.09Å; S108-K110 WeakPolarHBondContact OG-CB 3.38Å; S108-K110 PolarHBondContact OG-N 3.26Å; S108-C111 WeakPolarHBondContact O-CB 3.03Å; S108-C111 PolarHBondContact O-N 3.33Å; S108-C111 PolarHBondContact O-SG 3.12Å; S108-C118 PolarHBondContact O-SG 3.42Å; S108-C118 VanDerWaalsContact O-SG 3.35Å; S108-E171 PolarHBondContact OG-OE2 2.84Å; S108-A172 WeakPolarHBondContact CB-O 3.07Å; S108-A172 PolarHBondContact N-O 3.16Å
109S95.8Very high89.3Confident41 Ų4138.2 Ų38.229%0.28718%0.182SC..THydrogen-bonded Turntrans-62.5-10.6164.357.30000113.7Y124 N125S109-Y124 VanDerWaalsContact CB-O 3.24Å; S109-Y124 WeakPolarHBondContact CB-O 3.14Å; S109-Y124 PolarHBondContact N-O 3.12Å; S109-Y124 PolarHBondContact OG-O 2.92Å; S109-N125 WeakPolarHBondContact OG-CA 3.44Å
110K95.1Very high88.9Confident92 Ų9243.5 Ų43.540%0.421%0.21SC..THydrogen-bonded Turntrans-97.98.6177.9-49.5-175.8-165.298.40113.2S108 S126 F151 E171S108-K110 PolarHBondContact O-N 2.96Å; S108-K110 VanDerWaalsContact O-N 3.09Å; S108-K110 WeakPolarHBondContact OG-CB 3.38Å; S108-K110 PolarHBondContact OG-N 3.26Å; K110-S126 PolarHBondContact NZ-OG 3.39Å; K110-F151 HydrophobicContact CD-CE1 4.27Å; K110-F151 HydrophobicContact CD-CZ 3.8Å; K110-F151 VanDerWaalsContact NZ-CZ 3.34Å; K110-E171 IonicContact NZ-OE1 3.31Å; K110-E171 PolarHBondContact NZ-OE1 3.07Å; K110-E171 IonicContact NZ-OE2 3.03Å; K110-E171 PolarHBondContact NZ-OE2 3.21Å
111C90.7Very high88.9Confident12 Ų1244.8 Ų44.88%0.08122%0.216CC..  trans-63.6155.9178.162.70000112.5S108 C118 T173S108-C111 WeakPolarHBondContact O-CB 3.03Å; S108-C111 PolarHBondContact O-N 3.33Å; S108-C111 PolarHBondContact O-SG 3.12Å; C111-C118 HydrophobicContact CB-CB 3.65Å; C111-C118 WeakPolarHBondContact CB-SG 3.33Å; C111-C118 WeakPolarHBondContact SG-CB 3.22Å; C111-C118 CovalentContact SG-SG 2.03Å; C111-C118 PolarHBondContact SG-SG 3.04Å; C111-T173 WeakPolarHBondContact CA-O 3.46Å; C111-T173 WeakPolarHBondContact CB-O 3.36Å
112S86.4Confident89.1Confident56 Ų5649.2 Ų49.239%0.39224%0.236SC..  trans-58.3148.1-179-179.40000111.5F114 D115 W119 T173S112-F114 PolarHBondContact O-N 2.87Å; S112-F114 PolarHBondContact OG-N 2.77Å; S112-D115 PolarHBondContact O-N 2.93Å; S112-D115 VanDerWaalsContact O-N 3.09Å; S112-W119 PolarHBondContact O-NE1 3.33Å; S112-W119 VanDerWaalsContact O-NE1 3.15Å; S112-T173 PolarHBondContact N-O 3.22Å
113F79.9Confident89.2Confident163 Ų16352.8 Ų52.872%0.71525%0.249SC*.THydrogen-bonded Turntrans-60.2-24.7171-173.6-99.4000112.4D115 W119F113-D115 VanDerWaalsContact C-N 3.35Å; F113-W119 HydrophobicContact CD2-CZ2 4.45Å
114F81Confident89.4Confident179 Ų17952.8 Ų52.879%0.78525%0.249SC*.THydrogen-bonded Turntrans-85.1-4.5178.7-56.3-69.6000113.9S112 I116S112-F114 PolarHBondContact O-N 2.87Å; S112-F114 PolarHBondContact OG-N 2.77Å; F114-I116 PolarHBondContact O-N 2.92Å
115D79.8Confident89.5Confident16 Ų1654.4 Ų54.49%0.08626%0.257CS..  trans-88.583-179.8-168.6-23.8000111.4S112 F113 A117 C118 W119 S174 Q175S112-D115 PolarHBondContact O-N 2.93Å; S112-D115 VanDerWaalsContact O-N 3.09Å; F113-D115 VanDerWaalsContact C-N 3.35Å; D115-A117 VanDerWaalsContact C-N 3.25Å; D115-A117 PolarHBondContact O-N 3.08Å; D115-A117 PolarHBondContact OD1-N 3.15Å; D115-C118 HydrophobicContact CB-CB 4Å; D115-C118 WeakPolarHBondContact O-CB 3.47Å; D115-C118 PolarHBondContact O-N 2.79Å; D115-C118 PolarHBondContact OD1-N 3.12Å; D115-W119 PolarHBondContact O-N 3.25Å; D115-S174 WeakPolarHBondContact OD2-CA 3.37Å; D115-Q175 PolarHBondContact OD2-N 2.8Å
116I80.1Confident89.7Confident114 Ų11454.8 Ų54.859%0.58526%0.26SS*.Hα-helixtrans-57.1-39.4-177.8-59.9173000111.5F114 C118 W119 L120F114-I116 PolarHBondContact O-N 2.92Å; I116-C118 VanDerWaalsContact C-N 3.34Å; I116-C118 PolarHBondContact O-N 3.45Å; I116-W119 PolarHBondContact O-N 3.22Å; I116-L120 HydrophobicContact CG2-CD1 3.92Å; I116-L120 HydrophobicContact CG2-CG 4.3Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 3.24Å; I116-L120 VanDerWaalsContact O-N 3.12Å
117A79.1Confident89.8Confident2 Ų264 Ų642%0.01730%0.3CS..Hα-helixtrans-59.7-47.4179.800000110.7D115 W119 L120 H121 Q175 F180 V181D115-A117 VanDerWaalsContact C-N 3.25Å; D115-A117 PolarHBondContact O-N 3.08Å; D115-A117 PolarHBondContact OD1-N 3.15Å; A117-W119 VanDerWaalsContact C-N 3.3Å; A117-W119 PolarHBondContact O-N 3.44Å; A117-L120 PolarHBondContact O-N 2.95Å; A117-H121 PolarHBondContact O-N 2.88Å; A117-H121 PolarHBondContact O-ND1 3.35Å; A117-Q175 HydrophobicContact CB-CB 4.42Å; A117-F180 HydrophobicContact CB-CB 3.88Å; A117-V181 HydrophobicContact CB-CG2 3.82Å
118C83.6Confident90Very high0 Ų070.5 Ų70.50%033%0.329CS..Hα-helixtrans-60.1-38.7177-179.30000112.9S108 C111 D115 I116 L120 H121 R123S108-C118 PolarHBondContact O-SG 3.42Å; S108-C118 VanDerWaalsContact O-SG 3.35Å; C111-C118 HydrophobicContact CB-CB 3.65Å; C111-C118 WeakPolarHBondContact CB-SG 3.33Å; C111-C118 WeakPolarHBondContact SG-CB 3.22Å; C111-C118 CovalentContact SG-SG 2.03Å; C111-C118 PolarHBondContact SG-SG 3.04Å; D115-C118 HydrophobicContact CB-CB 4Å; D115-C118 WeakPolarHBondContact O-CB 3.47Å; D115-C118 PolarHBondContact O-N 2.79Å; D115-C118 PolarHBondContact OD1-N 3.12Å; I116-C118 VanDerWaalsContact C-N 3.34Å; I116-C118 PolarHBondContact O-N 3.45Å; C118-L120 VanDerWaalsContact C-N 3.34Å; C118-H121 PolarHBondContact O-N 2.91Å; C118-R123 WeakPolarHBondContact O-CD 3.45Å; C118-R123 WeakPolarHBondContact O-CG 3.05Å; C118-R123 WeakPolarHBondContact SG-CD 3.37Å
119W83.7Confident90Very high122 Ų12271.1 Ų71.146%0.46233%0.333SS..Hα-helixtrans-72.6-25.1-179-78.897.2000114.1S112 F113 D115 I116 A117 H121 R123S112-W119 PolarHBondContact O-NE1 3.33Å; S112-W119 VanDerWaalsContact O-NE1 3.15Å; F113-W119 HydrophobicContact CD2-CZ2 4.45Å; D115-W119 PolarHBondContact O-N 3.25Å; I116-W119 PolarHBondContact O-N 3.22Å; A117-W119 VanDerWaalsContact C-N 3.3Å; A117-W119 PolarHBondContact O-N 3.44Å; W119-H121 VanDerWaalsContact C-N 3.32Å; W119-R123 VanDerWaalsContact CE3-CZ 3.44Å; W119-R123 VanDerWaalsContact CE3-NH2 3.26Å; W119-R123 VanDerWaalsContact CZ3-NH2 3.29Å
120L86Confident90.2Very high112 Ų11278 Ų7859%0.58636%0.358SS*.Hα-helixtrans-79.5-14.9176.1-68.6173.2000113.3I116 A117 C118 V181I116-L120 HydrophobicContact CG2-CD1 3.92Å; I116-L120 HydrophobicContact CG2-CG 4.3Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 3.24Å; I116-L120 VanDerWaalsContact O-N 3.12Å; A117-L120 PolarHBondContact O-N 2.95Å; C118-L120 VanDerWaalsContact C-N 3.34Å; L120-V181 HydrophobicContact CD1-CG1 3.92Å
121H89.1Confident90.3Very high26 Ų2676.3 Ų76.312%0.1236%0.355CS..SBendtrans-110.2165.9-175.5-69.384000112.8P107 A117 C118 W119 F180 A183 F185 D186P107-H121 HydrophobicContact CG-CB 4.08Å; A117-H121 PolarHBondContact O-N 2.88Å; A117-H121 PolarHBondContact O-ND1 3.35Å; C118-H121 PolarHBondContact O-N 2.91Å; W119-H121 VanDerWaalsContact C-N 3.32Å; H121-F180 PolarHBondContact CE1-O 3.21Å; H121-A183 PolarHBondContact NE2-O 3.41Å; H121-F185 PolarHBondContact CD2-O 3.24Å; H121-F185 PolarHBondContact NE2-O 3.41Å; H121-D186 WeakPolarHBondContact CB-OD1 3.3Å; H121-D186 IonicContact CD2-OD1 2.54Å; H121-D186 IonicContact CG-OD1 3.26Å
122K94.8Very high90.7Very high94 Ų9478.8 Ų78.841%0.40936%0.363SS..  trans-65.5143.8171.1-60.2179.4-165.2155.40109N92 F93 P107 D186N92-K122 WeakPolarHBondContact O-CD 3.13Å; F93-K122 HydrophobicContact CD1-CB 3.94Å; F93-K122 HydrophobicContact CE1-CB 3.99Å; P107-K122 WeakPolarHBondContact CB-O 3.27Å; P107-K122 WeakPolarHBondContact CG-O 3.49Å; K122-D186 WeakPolarHBondContact CB-OD1 3.27Å; K122-D186 PolarHBondContact N-OD1 3.29Å; K122-D186 IonicContact NZ-OD2 3.44Å
123R96Very high91.3Very high76 Ų7678.1 Ų78.129%0.28736%0.361SS..  trans-127.4133-173.6-73.4171.1-68.4166.5-4.8111.5P107 C118 W119 N125P107-R123 HydrophobicContact CB-CG 3.94Å; P107-R123 CarbonylContact O-C 3.41Å; P107-R123 VanDerWaalsContact O-CA 3.31Å; P107-R123 WeakPolarHBondContact O-CA 3.22Å; C118-R123 WeakPolarHBondContact O-CD 3.45Å; C118-R123 WeakPolarHBondContact O-CG 3.05Å; C118-R123 WeakPolarHBondContact SG-CD 3.37Å; W119-R123 VanDerWaalsContact CE3-CZ 3.44Å; W119-R123 VanDerWaalsContact CE3-NH2 3.26Å; W119-R123 VanDerWaalsContact CZ3-NH2 3.29Å; R123-N125 PolarHBondContact O-N 3.23Å
124Y98.4Very high92.1Very high0 Ų078.4 Ų78.40%036%0.362CS..BIsolated β-bridgetrans-71.7126.4174.4176.4-99.3000111I86 P107 S109 Y132 D155 F169 E171I86-Y124 HydrophobicContact CB-CD2 4.03Å; I86-Y124 HydrophobicContact CB-CE2 4.12Å; I86-Y124 HydrophobicContact CD1-CD2 4.43Å; I86-Y124 HydrophobicContact CG2-CD2 3.86Å; I86-Y124 HydrophobicContact CG2-CE2 3.54Å; P107-Y124 PolarHBondContact O-N 2.87Å; S109-Y124 VanDerWaalsContact CB-O 3.24Å; S109-Y124 WeakPolarHBondContact CB-O 3.14Å; S109-Y124 PolarHBondContact N-O 3.12Å; S109-Y124 PolarHBondContact OG-O 2.92Å; Y124-Y132 HydrophobicContact CE1-CD2 4.47Å; Y124-Y132 WeakPolarHBondContact OH-CD2 3.39Å; Y124-D155 PolarHBondContact OH-OD2 2.75Å; Y124-F169 HydrophobicContact CD1-CE2 4.08Å; Y124-F169 AromaticContact CD1-CZ 3.78Å; Y124-F169 HydrophobicContact CD1-CZ 3.78Å; Y124-F169 HydrophobicContact CD2-CZ 4.09Å; Y124-F169 HydrophobicContact CE1-CE2 4.37Å; Y124-F169 AromaticContact CE1-CZ 3.64Å; Y124-F169 HydrophobicContact CE1-CZ 3.64Å; Y124-F169 AromaticContact CE2-CZ 3.99Å; Y124-F169 HydrophobicContact CE2-CZ 3.99Å; Y124-F169 HydrophobicContact CG-CE2 4.15Å; Y124-F169 AromaticContact CG-CZ 3.98Å; Y124-F169 HydrophobicContact CG-CZ 3.98Å; Y124-F169 AromaticContact CZ-CZ 3.75Å; Y124-E171 VanDerWaalsContact CD1-CD 3.46Å; Y124-E171 HydrophobicContact CD1-CG 3.65Å; Y124-E171 HydrophobicContact CE1-CG 4.16Å
125N98.3Very high92.9Very high36 Ų3672.6 Ų72.619%0.19334%0.339CS..  trans-115.6100176.6-170.2-24.8000110.3Q91 S109 R123 K127 K128Q91-N125 PolarHBondContact NE2-O 2.92Å; Q91-N125 VanDerWaalsContact NE2-O 3.07Å; S109-N125 WeakPolarHBondContact OG-CA 3.44Å; R123-N125 PolarHBondContact O-N 3.23Å; N125-K127 PolarHBondContact O-N 3.01Å; N125-K127 WeakPolarHBondContact OD1-CB 3.38Å; N125-K127 PolarHBondContact OD1-N 3.43Å; N125-K128 HydrophobicContact CB-CB 4.38Å; N125-K128 HydrophobicContact CB-CD 4.1Å; N125-K128 HydrophobicContact CB-CG 4.1Å; N125-K128 PolarHBondContact O-N 3.44Å
126S98.1Very high93.7Very high9 Ų973.3 Ų73.36%0.06335%0.35CS..G310 helixtrans-58.6-30.217968.50000113K110 K128 S129K110-S126 PolarHBondContact NZ-OG 3.39Å; S126-K128 PolarHBondContact O-N 2.95Å; S126-S129 PolarHBondContact O-N 3.08Å
127K98.2Very high94.5Very high193 Ų19371.2 Ų71.284%0.83934%0.335SS*.G310 helixtrans-68.5-19.1178.1-59.4-178.6177.8179.10113N125N125-K127 PolarHBondContact O-N 3.01Å; N125-K127 WeakPolarHBondContact OD1-CB 3.38Å; N125-K127 PolarHBondContact OD1-N 3.43Å
128K98.2Very high95.3Very high138 Ų13876.6 Ų76.660%0.637%0.37SS*.G310 helixtrans-90.5-10.2178.3-66.7-174178.6-177.40112.8P89 N125 S126P89-K128 WeakPolarHBondContact CD-O 3.23Å; N125-K128 HydrophobicContact CB-CB 4.38Å; N125-K128 HydrophobicContact CB-CD 4.1Å; N125-K128 HydrophobicContact CB-CG 4.1Å; N125-K128 PolarHBondContact O-N 3.44Å; S126-K128 PolarHBondContact O-N 2.95Å
129S98.6Very high95.7Very high12 Ų1277.1 Ų77.18%0.08437%0.373CS..  trans-104.6126.3-177.3-177.20000111.6G87 T88 S126 T131 Y132 D155G87-S129 WeakPolarHBondContact CA-OG 3.36Å; T88-S129 PolarHBondContact N-OG 3.1Å; T88-S129 CarbonylContact O-C 3.53Å; T88-S129 WeakPolarHBondContact O-CA 3.32Å; S126-S129 PolarHBondContact O-N 3.08Å; S129-T131 VanDerWaalsContact C-N 3.34Å; S129-T131 PolarHBondContact OG-N 3.32Å; S129-T131 PolarHBondContact OG-OG1 3.32Å; S129-Y132 PolarHBondContact OG-N 2.91Å; S129-D155 WeakPolarHBondContact CB-OD2 3.38Å; S129-D155 VanDerWaalsContact OG-CG 3.3Å; S129-D155 PolarHBondContact OG-OD1 3.44Å; S129-D155 PolarHBondContact OG-OD2 2.86Å
130K98.5Very high96Very high186 Ų18675.2 Ų75.281%0.80937%0.369SS*.SBendtrans-76.3-22.1174.9-62.1179.4-176.8179.80112.9T88T88-K130 PolarHBondContact O-N 2.78Å
131T98.6Very high95.8Very high56 Ų5669.9 Ų69.934%0.34434%0.341SS..SBendtrans-94.5-1.2179.943.70000112.8T88 S129 A133 D155T88-T131 WeakPolarHBondContact CB-OG1 3.14Å; T88-T131 PolarHBondContact N-OG1 3.16Å; T88-T131 VanDerWaalsContact OG1-CG2 3.26Å; T88-T131 WeakPolarHBondContact OG1-CG2 3.47Å; T88-T131 PolarHBondContact OG1-OG1 3.38Å; S129-T131 VanDerWaalsContact C-N 3.34Å; S129-T131 PolarHBondContact OG-N 3.32Å; S129-T131 PolarHBondContact OG-OG1 3.32Å; T131-A133 PolarHBondContact O-N 3.41Å; T131-D155 WeakPolarHBondContact CB-OD1 3.44Å; T131-D155 PolarHBondContact OG1-OD1 3.4Å
132Y98.7Very high95Very high64 Ų6475.3 Ų75.325%0.25136%0.361SS..  trans-62.2133174.9167.4-109.7000111.5Y124 S129 K134 K154 D155Y124-Y132 HydrophobicContact CE1-CD2 4.47Å; Y124-Y132 WeakPolarHBondContact OH-CD2 3.39Å; S129-Y132 PolarHBondContact OG-N 2.91Å; Y132-K134 HydrophobicContact CE1-CB 4.36Å; Y132-K134 WeakPolarHBondContact OH-CA 3.43Å; Y132-K134 WeakPolarHBondContact OH-CB 2.94Å; Y132-K154 WeakPolarHBondContact CA-O 3.45Å; Y132-D155 PolarHBondContact N-OD1 2.9Å
133A98.5Very high93.7Very high43 Ų4371.5 Ų71.536%0.35534%0.344SS..EExtended strand (participates in β ladder)trans-126.6136.916600000109.8T131 K154T131-A133 PolarHBondContact O-N 3.41Å; A133-K154 HydrophobicContact CB-CB 4.13Å; A133-K154 HydrophobicContact CB-CD 4.1Å; A133-K154 HydrophobicContact CB-CG 4.33Å; A133-K154 PolarHBondContact N-O 2.92Å; A133-K154 WeakPolarHBondContact O-CB 3.16Å; A133-K154 PolarHBondContact O-N 3.26Å
134K98Very high91.7Very high169 Ų16969.2 Ų69.274%0.73534%0.344SS*.EExtended strand (participates in β ladder)trans-74.7129.3179-174.9179.8178.3-174.40110.2Y132Y132-K134 HydrophobicContact CE1-CB 4.36Å; Y132-K134 WeakPolarHBondContact OH-CA 3.43Å; Y132-K134 WeakPolarHBondContact OH-CB 2.94Å
135D97.4Very high89.5Confident56 Ų5671.2 Ų71.230%0.29936%0.358SS..EExtended strand (participates in β ladder)trans-106.1-66163.4177.1-29.7000107.9R137 A152D135-R137 VanDerWaalsContact C-N 3.34Å; D135-R137 PolarHBondContact O-N 3.28Å; D135-R137 VanDerWaalsContact OD1-CD 3.24Å; D135-R137 WeakPolarHBondContact OD1-CD 3.21Å; D135-R137 WeakPolarHBondContact OD1-CG 3.37Å; D135-R137 PolarHBondContact OD1-N 2.89Å; D135-R137 IonicContact OD1-NE 3.39Å; D135-R137 PolarHBondContact OD1-NE 3.07Å; D135-R137 IonicContact OD2-CZ 3.13Å; D135-R137 IonicContact OD2-NE 2.81Å; D135-R137 PolarHBondContact OD2-NE 3.19Å; D135-R137 IonicContact OD2-NH2 3.79Å; D135-R137 PolarHBondContact OD2-NH2 3.25Å; D135-A152 HydrophobicContact CB-CB 4.27Å
136G96.5Very high87.9Confident31 Ų3170.9 Ų70.932%0.3236%0.363SS..EExtended strand (participates in β ladder)trans83.9-1.6168.600000115.5A152G136-A152 PolarHBondContact N-O 3Å
137R96.1Very high86.6Confident70 Ų7071.3 Ų71.326%0.26437%0.366SS..EExtended strand (participates in β ladder)trans-57.1131.7171.364.1-165162.5153.5-3110.7D135 I139 F151 A152 I168 G199 I201D135-R137 VanDerWaalsContact C-N 3.34Å; D135-R137 PolarHBondContact O-N 3.28Å; D135-R137 VanDerWaalsContact OD1-CD 3.24Å; D135-R137 WeakPolarHBondContact OD1-CD 3.21Å; D135-R137 WeakPolarHBondContact OD1-CG 3.37Å; D135-R137 PolarHBondContact OD1-N 2.89Å; D135-R137 IonicContact OD1-NE 3.39Å; D135-R137 PolarHBondContact OD1-NE 3.07Å; D135-R137 IonicContact OD2-CZ 3.13Å; D135-R137 IonicContact OD2-NE 2.81Å; D135-R137 PolarHBondContact OD2-NE 3.19Å; D135-R137 IonicContact OD2-NH2 3.79Å; D135-R137 PolarHBondContact OD2-NH2 3.25Å; R137-I139 HydrophobicContact CG-CD1 4.17Å; R137-I139 HydrophobicContact CG-CG1 4.36Å; R137-F151 CarbonylContact O-C 3.54Å; R137-F151 WeakPolarHBondContact O-CA 3.19Å; R137-F151 WeakPolarHBondContact O-CB 3.39Å; R137-A152 HydrophobicContact CG-CB 3.45Å; R137-A152 VanDerWaalsContact CG-CB 3.45Å; R137-A152 PolarHBondContact O-N 2.78Å; R137-I168 VanDerWaalsContact NH2-CG2 3.3Å; R137-G199 PolarHBondContact NH1-O 2.85Å; R137-I201 VanDerWaalsContact NH2-CG1 3.3Å
138P95.3Very high85.9Confident116 Ų11662.1 Ų62.175%0.75333%0.326SS*.EExtended strand (participates in β ladder)trans-66.3137.9176.228.4-33.5000109.6
139I92.9Very high85.5Confident10 Ų1059.9 Ų59.95%0.05132%0.316CS..EExtended strand (participates in β ladder)trans-128.3130.8176.9-60.5-67.1000108.2R137 I141 G150 A152 V170 V198 I201R137-I139 HydrophobicContact CG-CD1 4.17Å; R137-I139 HydrophobicContact CG-CG1 4.36Å; I139-I141 HydrophobicContact CG2-CD1 4.38Å; I139-I141 HydrophobicContact CG2-CG1 3.89Å; I139-G150 PolarHBondContact N-O 3.21Å; I139-G150 PolarHBondContact O-N 3.15Å; I139-A152 HydrophobicContact CG1-CB 4.14Å; I139-V170 HydrophobicContact CB-CG1 3.94Å; I139-V170 HydrophobicContact CB-CG2 4.05Å; I139-V170 HydrophobicContact CG1-CG2 4.2Å; I139-V170 HydrophobicContact CG2-CG1 4.13Å; I139-V170 HydrophobicContact CG2-CG2 3.67Å; I139-V198 HydrophobicContact CG2-CB 4.44Å; I139-V198 HydrophobicContact CG2-CG1 3.91Å; I139-I201 HydrophobicContact CD1-CD1 4.2Å; I139-I201 HydrophobicContact CG1-CD1 4.32Å
140E89.4Confident85.3Confident83 Ų8359.8 Ų59.839%0.38832%0.317SS..EExtended strand (participates in β ladder)trans-123.1118.8172.8179.6168.2172.600108.2S147 M148 K149E140-S147 PolarHBondContact OE1-OG 2.99Å; E140-M148 CarbonylContact C-O 3.56Å; E140-M148 WeakPolarHBondContact CA-O 3.24Å; E140-K149 HydrophobicContact CB-CG 4.48Å; E140-K149 HydrophobicContact CG-CG 4.07Å; E140-K149 VanDerWaalsContact OE1-CE 3.32Å; E140-K149 WeakPolarHBondContact OE1-CE 3.34Å; E140-K149 IonicContact OE1-NZ 3.74Å; E140-K149 WeakPolarHBondContact OE2-CE 3.48Å; E140-K149 IonicContact OE2-NZ 3.62Å
141I82.5Confident85.2Confident0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-109.8121176.2-54.1-175.9000107.3E70 L72 N103 I139 S147 M148 V170 V198E70-I141 HydrophobicContact CB-CG2 4.22Å; E70-I141 WeakPolarHBondContact O-CG2 3.29Å; L72-I141 HydrophobicContact CB-CG2 4.47Å; L72-I141 HydrophobicContact CD1-CB 4.45Å; L72-I141 HydrophobicContact CD1-CG2 3.56Å; L72-I141 HydrophobicContact CG-CG2 3.58Å; N103-I141 HydrophobicContact CB-CD1 3.5Å; N103-I141 VanDerWaalsContact CB-CD1 3.5Å; N103-I141 WeakPolarHBondContact OD1-CD1 3.33Å; I139-I141 HydrophobicContact CG2-CD1 4.38Å; I139-I141 HydrophobicContact CG2-CG1 3.89Å; I141-S147 CarbonylContact O-C 3.58Å; I141-S147 WeakPolarHBondContact O-CA 3.45Å; I141-M148 HydrophobicContact CB-CB 4.13Å; I141-M148 HydrophobicContact CB-CE 4.1Å; I141-M148 HydrophobicContact CD1-CE 3.39Å; I141-M148 HydrophobicContact CG1-CE 3.72Å; I141-M148 PolarHBondContact N-O 2.93Å; I141-M148 PolarHBondContact O-N 2.88Å; I141-V170 HydrophobicContact CD1-CG2 4.46Å; I141-V198 HydrophobicContact CG1-CB 4.26Å; I141-V198 HydrophobicContact CG1-CG2 4.25Å
142R72.9Confident85.2Confident140 Ų14050.1 Ų50.153%0.52827%0.27SS..EExtended strand (participates in β ladder)trans-84.5140.2-173.7-75.6179.7145.9-152.1-5.8111.4L71 L72L71-R142 WeakPolarHBondContact CA-O 3.27Å; L71-R142 HydrophobicContact CD2-CB 3.59Å; L72-R142 PolarHBondContact N-O 3.3Å
143Y67.2Low85.2Confident13 Ų1347 Ų475%0.05126%0.258CS..EExtended strand (participates in β ladder)trans-111.7166.7173.2-49.8-67.5000111.2L72 S145 G146 M148 F180L72-Y143 HydrophobicContact CB-CD1 3.66Å; L72-Y143 HydrophobicContact CB-CE1 3.8Å; L72-Y143 HydrophobicContact CD1-CD1 4.44Å; L72-Y143 HydrophobicContact CD1-CE1 3.77Å; L72-Y143 HydrophobicContact CG-CE1 4.38Å; L72-Y143 WeakPolarHBondContact O-CA 3.33Å; Y143-S145 PolarHBondContact O-N 2.88Å; Y143-G146 CarbonylContact C-O 3.54Å; Y143-G146 WeakPolarHBondContact CA-O 3.44Å; Y143-G146 WeakPolarHBondContact CB-O 3.44Å; Y143-G146 PolarHBondContact N-O 2.92Å; Y143-M148 HydrophobicContact CE1-CB 4.33Å; Y143-M148 HydrophobicContact CE2-CB 3.66Å; Y143-M148 HydrophobicContact CE2-CG 4.49Å; Y143-M148 VanDerWaalsContact CZ-CB 3.42Å; Y143-M148 WeakPolarHBondContact OH-CB 3.48Å; Y143-M148 WeakPolarHBondContact OH-CG 3.48Å; Y143-F180 HydrophobicContact CD1-CZ 4.2Å; Y143-F180 HydrophobicContact CD2-CE2 4.15Å; Y143-F180 HydrophobicContact CE1-CE2 4.01Å; Y143-F180 AromaticContact CE1-CZ 3.52Å; Y143-F180 HydrophobicContact CE1-CZ 3.52Å; Y143-F180 AromaticContact CE2-CE2 3.57Å; Y143-F180 HydrophobicContact CE2-CE2 3.57Å; Y143-F180 AromaticContact CE2-CZ 3.95Å; Y143-F180 HydrophobicContact CE2-CZ 3.95Å; Y143-F180 AromaticContact CZ-CE2 3.48Å; Y143-F180 VanDerWaalsContact CZ-CE2 3.48Å; Y143-F180 AromaticContact CZ-CZ 3.35Å; Y143-F180 WeakPolarHBondContact OH-CZ 3.44Å
144G54.4Low85.2Confident28 Ų2847.6 Ų47.629%0.28925%0.253SS..THydrogen-bonded Turntrans-60.8-29.6170.600000114.5F54F54-G144 VanDerWaalsContact CG-CA 3.48Å
145S52.1Low85.2Confident43 Ų4339.6 Ų39.630%0.30122%0.218SC..THydrogen-bonded Turntrans-116.36.6-175.969.50000114.6N74 Y143N74-S145 PolarHBondContact ND2-OG 3.25Å; Y143-S145 PolarHBondContact O-N 2.88Å
146G63.4Low85.3Confident29 Ų2938 Ų3830%0.29921%0.21SC..EExtended strand (participates in β ladder)trans170.5-153.9-174.400000113.2Y143Y143-G146 CarbonylContact C-O 3.54Å; Y143-G146 WeakPolarHBondContact CA-O 3.44Å; Y143-G146 WeakPolarHBondContact CB-O 3.44Å; Y143-G146 PolarHBondContact N-O 2.92Å
147S71.6Confident85.4Confident18 Ų1836.8 Ų36.813%0.12620%0.197CC..EExtended strand (participates in β ladder)trans-147.4135174.860.10000110.3E140 I141 K149 P176E140-S147 PolarHBondContact OE1-OG 2.99Å; I141-S147 CarbonylContact O-C 3.58Å; I141-S147 WeakPolarHBondContact O-CA 3.45Å; S147-K149 WeakPolarHBondContact OG-CE 3.39Å; S147-P176 WeakPolarHBondContact O-CD 3.17Å; S147-P176 WeakPolarHBondContact O-CG 3.49Å
148M84.1Confident85.5Confident0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-70.9128.6164.2-156.2-98.6-69.300107.4W105 E140 I141 Y143 V170 A172W105-M148 HydrophobicContact CB-CE 3.7Å; W105-M148 HydrophobicContact CD2-CE 4.12Å; W105-M148 HydrophobicContact CD2-CG 4.46Å; W105-M148 HydrophobicContact CG-CE 3.6Å; E140-M148 CarbonylContact C-O 3.56Å; E140-M148 WeakPolarHBondContact CA-O 3.24Å; I141-M148 HydrophobicContact CB-CB 4.13Å; I141-M148 HydrophobicContact CB-CE 4.1Å; I141-M148 HydrophobicContact CD1-CE 3.39Å; I141-M148 HydrophobicContact CG1-CE 3.72Å; I141-M148 PolarHBondContact N-O 2.93Å; I141-M148 PolarHBondContact O-N 2.88Å; Y143-M148 HydrophobicContact CE1-CB 4.33Å; Y143-M148 HydrophobicContact CE2-CB 3.66Å; Y143-M148 HydrophobicContact CE2-CG 4.49Å; Y143-M148 VanDerWaalsContact CZ-CB 3.42Å; Y143-M148 WeakPolarHBondContact OH-CB 3.48Å; Y143-M148 WeakPolarHBondContact OH-CG 3.48Å; M148-V170 HydrophobicContact CE-CB 3.99Å; M148-V170 HydrophobicContact CE-CG1 3.73Å; M148-V170 HydrophobicContact CE-CG2 4.44Å; M148-V170 HydrophobicContact SD-CG1 3.99Å; M148-A172 HydrophobicContact CG-CB 4.03Å; M148-A172 HydrophobicContact SD-CB 3.46Å; M148-A172 WeakPolarHBondContact SD-CB 3.13Å
149K89.7Confident85.5Confident90 Ų9028.5 Ų28.539%0.39115%0.153SC..EExtended strand (participates in β ladder)trans-120.7141.3170.6-59.3-179.1176-168.20109.4E140 S147 T173 S174E140-K149 HydrophobicContact CB-CG 4.48Å; E140-K149 HydrophobicContact CG-CG 4.07Å; E140-K149 VanDerWaalsContact OE1-CE 3.32Å; E140-K149 WeakPolarHBondContact OE1-CE 3.34Å; E140-K149 IonicContact OE1-NZ 3.74Å; E140-K149 WeakPolarHBondContact OE2-CE 3.48Å; E140-K149 IonicContact OE2-NZ 3.62Å; S147-K149 WeakPolarHBondContact OG-CE 3.39Å; K149-T173 PolarHBondContact O-N 3.33Å; K149-T173 PolarHBondContact O-OG1 3.05Å; K149-S174 PolarHBondContact N-O 3.38Å; K149-S174 PolarHBondContact O-N 3.15Å
150G93.9Very high85.4Confident10 Ų1029.4 Ų29.410%0.10316%0.162CC..EExtended strand (participates in β ladder)trans-169.7-160-178.900000111.5I139 E171I139-G150 PolarHBondContact N-O 3.21Å; I139-G150 PolarHBondContact O-N 3.15Å; G150-E171 WeakPolarHBondContact CA-O 3.47Å
151F96.7Very high85.5Confident39 Ų3928.6 Ų28.617%0.17118%0.175CC..EExtended strand (participates in β ladder)trans-142.2151173.956.9-86.8000109.4K110 R137 E171 T173K110-F151 HydrophobicContact CD-CE1 4.27Å; K110-F151 HydrophobicContact CD-CZ 3.8Å; K110-F151 VanDerWaalsContact NZ-CZ 3.34Å; R137-F151 CarbonylContact O-C 3.54Å; R137-F151 WeakPolarHBondContact O-CA 3.19Å; R137-F151 WeakPolarHBondContact O-CB 3.39Å; F151-E171 HydrophobicContact CD1-CB 4.48Å; F151-E171 HydrophobicContact CD2-CB 4.24Å; F151-E171 HydrophobicContact CE1-CB 4Å; F151-E171 HydrophobicContact CE2-CB 3.72Å; F151-E171 VanDerWaalsContact CE2-CD 3.45Å; F151-E171 HydrophobicContact CE2-CG 4.05Å; F151-E171 VanDerWaalsContact CE2-OE1 3.27Å; F151-E171 WeakPolarHBondContact CE2-OE1 3.38Å; F151-E171 HydrophobicContact CZ-CB 3.55Å; F151-E171 VanDerWaalsContact CZ-CD 3.43Å; F151-E171 HydrophobicContact CZ-CG 4.09Å; F151-E171 WeakPolarHBondContact CZ-OE2 3.27Å; F151-E171 PolarHBondContact N-O 3.38Å; F151-E171 PolarHBondContact O-N 3.36Å; F151-T173 HydrophobicContact CD1-CG2 3.97Å; F151-T173 HydrophobicContact CE1-CG2 3.56Å
152A97.9Very high86.1Confident0 Ų029.2 Ų29.20%018%0.178CC..EExtended strand (participates in β ladder)trans-72.9143.9178.100000110.9D135 G136 R137 I139 I168 F169 I201D135-A152 HydrophobicContact CB-CB 4.27Å; G136-A152 PolarHBondContact N-O 3Å; R137-A152 HydrophobicContact CG-CB 3.45Å; R137-A152 VanDerWaalsContact CG-CB 3.45Å; R137-A152 PolarHBondContact O-N 2.78Å; I139-A152 HydrophobicContact CG1-CB 4.14Å; A152-I168 HydrophobicContact CB-CG2 3.69Å; A152-F169 CarbonylContact C-O 3.58Å; A152-F169 WeakPolarHBondContact CA-O 3.32Å; A152-I201 HydrophobicContact CB-CD1 4.49Å
153S98.5Very high87.3Confident0 Ų024.7 Ų24.70%017%0.167CC..EExtended strand (participates in β ladder)trans-136.7152.4173.2-86.50000109.3I168 F169 E171S153-I168 CarbonylContact O-C 3.55Å; S153-I168 VanDerWaalsContact O-CA 3.32Å; S153-I168 WeakPolarHBondContact O-CA 3.39Å; S153-F169 PolarHBondContact N-O 2.9Å; S153-F169 WeakPolarHBondContact O-CD1 3.46Å; S153-F169 PolarHBondContact O-N 2.72Å; S153-E171 WeakPolarHBondContact CB-OE1 3.43Å; S153-E171 PolarHBondContact OG-OE1 2.8Å
154K98.7Very high88.8Confident55 Ų5524.1 Ų24.124%0.23917%0.165CC..EExtended strand (participates in β ladder)trans-113130.5179.2-179.7-175.6-81-165.90109.4Y132 A133 E166 Q167 I168Y132-K154 WeakPolarHBondContact CA-O 3.45Å; A133-K154 HydrophobicContact CB-CB 4.13Å; A133-K154 HydrophobicContact CB-CD 4.1Å; A133-K154 HydrophobicContact CB-CG 4.33Å; A133-K154 PolarHBondContact N-O 2.92Å; A133-K154 WeakPolarHBondContact O-CB 3.16Å; A133-K154 PolarHBondContact O-N 3.26Å; K154-E166 HydrophobicContact CD-CB 3.76Å; K154-E166 HydrophobicContact CD-CG 4.04Å; K154-E166 HydrophobicContact CG-CB 4.06Å; K154-E166 IonicContact NZ-OE1 2.78Å; K154-E166 PolarHBondContact NZ-OE1 2.8Å; K154-Q167 WeakPolarHBondContact CA-O 2.99Å; K154-I168 HydrophobicContact CB-CG1 4.29Å; K154-I168 HydrophobicContact CG-CG1 4.43Å
155D98.8Very high90.9Very high1 Ų129.4 Ų29.41%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-157.6178.9173.3-150.4-22.7000110.9I86 G87 Y124 S129 T131 Y132 E166 Q167 F169I86-D155 HydrophobicContact CG2-CB 3.84Å; G87-D155 VanDerWaalsContact CA-CG 3.46Å; G87-D155 WeakPolarHBondContact CA-OD1 3.21Å; G87-D155 VanDerWaalsContact CA-OD2 3.24Å; G87-D155 WeakPolarHBondContact CA-OD2 3.5Å; Y124-D155 PolarHBondContact OH-OD2 2.75Å; S129-D155 WeakPolarHBondContact CB-OD2 3.38Å; S129-D155 VanDerWaalsContact OG-CG 3.3Å; S129-D155 PolarHBondContact OG-OD1 3.44Å; S129-D155 PolarHBondContact OG-OD2 2.86Å; T131-D155 WeakPolarHBondContact CB-OD1 3.44Å; T131-D155 PolarHBondContact OG1-OD1 3.4Å; Y132-D155 PolarHBondContact N-OD1 2.9Å; D155-E166 PolarHBondContact O-N 2.74Å; D155-Q167 PolarHBondContact N-O 2.53Å; D155-Q167 PolarHBondContact O-N 2.64Å; D155-F169 HydrophobicContact CB-CE1 3.88Å
156T98.7Very high93.1Very high22 Ų2233.2 Ų33.214%0.13519%0.193CC..EExtended strand (participates in β ladder)trans-76.8125.9166.5-60.40000109.6I86 G87 C163 V164I86-T156 CarbonylContact C-O 3.5Å; I86-T156 WeakPolarHBondContact CA-O 3.36Å; G87-T156 PolarHBondContact N-O 3.18Å; T156-C163 HydrophobicContact CG2-CB 4.06Å; T156-V164 WeakPolarHBondContact CA-O 3.18Å
157A98.6Very high94.7Very high5 Ų531.9 Ų31.94%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-112.9135.9171.600000109.3S85 F104 C163 V164 Q167S85-A157 CarbonylContact O-C 3.48Å; S85-A157 WeakPolarHBondContact O-CA 3.46Å; F104-A157 HydrophobicContact CE1-CB 3.97Å; A157-C163 CarbonylContact O-C 3.53Å; A157-C163 WeakPolarHBondContact O-CA 3.14Å; A157-V164 HydrophobicContact CB-CG2 4.13Å; A157-V164 PolarHBondContact N-O 3.08Å; A157-V164 VanDerWaalsContact O-CG2 3.23Å; A157-V164 WeakPolarHBondContact O-CG2 3.38Å; A157-V164 PolarHBondContact O-N 2.84Å; A157-Q167 HydrophobicContact CB-CB 3.98Å; A157-Q167 HydrophobicContact CB-CG 4.06Å
158C97.9Very high96Very high9 Ų932.8 Ų32.86%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-124.1137.4177.2-46.90000112.1I84 S85 I162 C163I84-C158 WeakPolarHBondContact CA-O 3.34Å; S85-C158 PolarHBondContact N-O 2.88Å; S85-C158 PolarHBondContact O-N 3.45Å; S85-C158 WeakPolarHBondContact OG-CB 3.38Å; C158-I162 CarbonylContact C-O 3.3Å; C158-I162 WeakPolarHBondContact CA-O 3.32Å; C158-C163 HydrophobicContact CB-CB 4.05Å; C158-C163 WeakPolarHBondContact CB-SG 2.95Å; C158-C163 WeakPolarHBondContact SG-CB 3.47Å; C158-C163 CovalentContact SG-SG 2.04Å; C158-C163 PolarHBondContact SG-SG 3.08Å
159V95.7Very high96.7Very high4 Ų432.8 Ų32.82%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-133.7131.4177140.70000107.2V23 I84 F97 G161 I162 L189 M208 F237V23-V159 HydrophobicContact CG2-CG1 4.07Å; I84-V159 HydrophobicContact CB-CG2 4.13Å; I84-V159 HydrophobicContact CG2-CG2 3.29Å; F97-V159 HydrophobicContact CE1-CG2 3.87Å; F97-V159 HydrophobicContact CZ-CG2 4.07Å; V159-G161 PolarHBondContact O-N 2.84Å; V159-I162 PolarHBondContact N-O 3.47Å; V159-I162 WeakPolarHBondContact O-CA 3.15Å; V159-I162 WeakPolarHBondContact O-CB 3.4Å; V159-I162 PolarHBondContact O-N 3.02Å; V159-I162 VanDerWaalsContact O-O 3.13Å; V159-L189 HydrophobicContact CG2-CD1 3.79Å; V159-M208 HydrophobicContact CB-CE 3.75Å; V159-M208 HydrophobicContact CG1-CE 3.68Å; V159-F237 HydrophobicContact CG1-CD1 4.38Å; V159-F237 HydrophobicContact CG1-CD2 3.81Å; V159-F237 HydrophobicContact CG1-CE1 3.97Å; V159-F237 HydrophobicContact CG1-CE2 3.35Å; V159-F237 HydrophobicContact CG1-CG 4.31Å; V159-F237 HydrophobicContact CG1-CZ 3.46Å; V159-F237 VanDerWaalsContact CG1-CZ 3.46Å
160A89.9Confident97Very high29 Ų2928.5 Ų28.524%0.2416%0.164CC..THydrogen-bonded Turntrans50.130.4178.900000115.3K22 V23 I162 F237K22-A160 VanDerWaalsContact O-CB 3.31Å; K22-A160 WeakPolarHBondContact O-CB 3.32Å; V23-A160 HydrophobicContact CG2-CB 3.64Å; A160-I162 PolarHBondContact O-N 2.84Å; A160-F237 HydrophobicContact CB-CD2 4.36Å
161G91.7Very high97.2Very high65 Ų6528 Ų2867%0.6716%0.159SC*.THydrogen-bonded Turntrans80.8-13.5-174.100000115.4V159V159-G161 PolarHBondContact O-N 2.84Å
162I96.3Very high97Very high13 Ų1326.1 Ų26.17%0.06715%0.151CC..EExtended strand (participates in β ladder)trans-75.3121.6169.9-59.7161.4000108.6S21 C158 V159 A160 M208 L213 L214 F237S21-I162 VanDerWaalsContact CB-CD1 3.43Å; S21-I162 WeakPolarHBondContact OG-CG1 3.24Å; C158-I162 CarbonylContact C-O 3.3Å; C158-I162 WeakPolarHBondContact CA-O 3.32Å; V159-I162 PolarHBondContact N-O 3.47Å; V159-I162 WeakPolarHBondContact O-CA 3.15Å; V159-I162 WeakPolarHBondContact O-CB 3.4Å; V159-I162 PolarHBondContact O-N 3.02Å; V159-I162 VanDerWaalsContact O-O 3.13Å; A160-I162 PolarHBondContact O-N 2.84Å; I162-M208 HydrophobicContact CB-CE 4.32Å; I162-M208 HydrophobicContact CG2-CE 4.11Å; I162-M208 HydrophobicContact CG2-CG 4.01Å; I162-M208 HydrophobicContact CG2-SD 4.28Å; I162-L213 HydrophobicContact CG2-CB 3.74Å; I162-L213 HydrophobicContact CG2-CD1 3.85Å; I162-L213 HydrophobicContact CG2-CG 4.42Å; I162-L214 HydrophobicContact CD1-CD2 3.57Å; I162-F237 HydrophobicContact CD1-CB 3.84Å
163C97.6Very high96.8Very high45 Ų4527.9 Ų27.930%0.30416%0.162SC..EExtended strand (participates in β ladder)trans-113.9108.6-179.4-680000111.2T156 A157 C158 L213T156-C163 HydrophobicContact CG2-CB 4.06Å; A157-C163 CarbonylContact O-C 3.53Å; A157-C163 WeakPolarHBondContact O-CA 3.14Å; C158-C163 HydrophobicContact CB-CB 4.05Å; C158-C163 WeakPolarHBondContact CB-SG 2.95Å; C158-C163 WeakPolarHBondContact SG-CB 3.47Å; C158-C163 CovalentContact SG-SG 2.04Å; C158-C163 PolarHBondContact SG-SG 3.08Å; C163-L213 WeakPolarHBondContact O-CD1 3.39Å
164V98.3Very high96.2Very high1 Ų130.1 Ų30.11%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-80.8125.8169.8-87.40000110.1T156 A157 Q167 V204 M207 M208 L213T156-V164 WeakPolarHBondContact CA-O 3.18Å; A157-V164 HydrophobicContact CB-CG2 4.13Å; A157-V164 PolarHBondContact N-O 3.08Å; A157-V164 VanDerWaalsContact O-CG2 3.23Å; A157-V164 WeakPolarHBondContact O-CG2 3.38Å; A157-V164 PolarHBondContact O-N 2.84Å; V164-Q167 HydrophobicContact CG2-CB 4.29Å; V164-V204 HydrophobicContact CG2-CG1 4.03Å; V164-M207 HydrophobicContact CB-CB 4.16Å; V164-M207 VanDerWaalsContact CG1-C 3.48Å; V164-M207 HydrophobicContact CG1-CB 3.65Å; V164-M208 HydrophobicContact CG1-CB 4.23Å; V164-M208 HydrophobicContact CG1-CG 3.63Å; V164-L213 HydrophobicContact CG1-CD1 3.72Å
165K98.3Very high95.3Very high140 Ų14027.8 Ų27.861%0.60917%0.167SC*.EExtended strand (participates in β ladder)trans-83.4153.4175.1-64.9179.2-177.7174.20110.3Q167 Q211K165-Q167 PolarHBondContact O-N 2.94Å; K165-Q167 VanDerWaalsContact O-N 3.08Å; K165-Q211 PolarHBondContact O-NE2 3.45Å
166E98Very high93.9Very high122 Ų12230.2 Ų30.257%0.5718%0.183SC*.EExtended strand (participates in β ladder)trans54.428.4175.7-59.8-164.477.600114.8K154 D155 I168K154-E166 HydrophobicContact CD-CB 3.76Å; K154-E166 HydrophobicContact CD-CG 4.04Å; K154-E166 HydrophobicContact CG-CB 4.06Å; K154-E166 IonicContact NZ-OE1 2.78Å; K154-E166 PolarHBondContact NZ-OE1 2.8Å; D155-E166 PolarHBondContact O-N 2.74Å; E166-I168 PolarHBondContact O-N 3.45Å
167Q98.6Very high92.3Very high1 Ų130.4 Ų30.41%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-64.4124.1174.9178.961.45400108.9F104 K154 D155 A157 V164 K165 T202 V204F104-Q167 HydrophobicContact CD1-CG 4.13Å; K154-Q167 WeakPolarHBondContact CA-O 2.99Å; D155-Q167 PolarHBondContact N-O 2.53Å; D155-Q167 PolarHBondContact O-N 2.64Å; A157-Q167 HydrophobicContact CB-CB 3.98Å; A157-Q167 HydrophobicContact CB-CG 4.06Å; V164-Q167 HydrophobicContact CG2-CB 4.29Å; K165-Q167 PolarHBondContact O-N 2.94Å; K165-Q167 VanDerWaalsContact O-N 3.08Å; Q167-T202 PolarHBondContact NE2-O 3.25Å; Q167-V204 HydrophobicContact CG-CG2 4Å
168I98.5Very high90.7Very high37 Ų3732.8 Ų32.819%0.1920%0.201CC..EExtended strand (participates in β ladder)trans-85.8129.6169.2-56.6171.2000108.6R137 A152 S153 K154 E166 I201R137-I168 VanDerWaalsContact NH2-CG2 3.3Å; A152-I168 HydrophobicContact CB-CG2 3.69Å; S153-I168 CarbonylContact O-C 3.55Å; S153-I168 VanDerWaalsContact O-CA 3.32Å; S153-I168 WeakPolarHBondContact O-CA 3.39Å; K154-I168 HydrophobicContact CB-CG1 4.29Å; K154-I168 HydrophobicContact CG-CG1 4.43Å; E166-I168 PolarHBondContact O-N 3.45Å; I168-I201 HydrophobicContact CB-CG2 4.19Å; I168-I201 HydrophobicContact CG2-CD1 4.32Å; I168-I201 HydrophobicContact CG2-CG1 4.17Å; I168-I201 HydrophobicContact CG2-CG2 4.31Å; I168-I201 WeakPolarHBondContact O-CG2 3.5Å
169F98.1Very high89Confident0 Ų032.6 Ų32.60%020%0.199CC..EExtended strand (participates in β ladder)trans-140.6166.1177.970.6-81.8000109.5I86 F104 V106 Y124 A152 S153 D155 E171I86-F169 HydrophobicContact CD1-CD2 4.24Å; I86-F169 HydrophobicContact CD1-CE2 3.98Å; I86-F169 HydrophobicContact CD1-CZ 4.21Å; I86-F169 HydrophobicContact CG2-CE1 3.8Å; I86-F169 HydrophobicContact CG2-CZ 3.84Å; F104-F169 HydrophobicContact CB-CB 4.23Å; F104-F169 HydrophobicContact CD1-CB 3.3Å; F104-F169 HydrophobicContact CD1-CG 4.12Å; F104-F169 HydrophobicContact CE1-CB 3.72Å; F104-F169 HydrophobicContact CE1-CG 4.02Å; F104-F169 HydrophobicContact CG-CB 3.87Å; F104-F169 CarbonylContact O-C 3.5Å; F104-F169 WeakPolarHBondContact O-CA 3.49Å; F104-F169 WeakPolarHBondContact O-CB 3.47Å; V106-F169 HydrophobicContact CG2-CD2 3.99Å; V106-F169 HydrophobicContact CG2-CE2 3.73Å; Y124-F169 HydrophobicContact CD1-CE2 4.08Å; Y124-F169 AromaticContact CD1-CZ 3.78Å; Y124-F169 HydrophobicContact CD1-CZ 3.78Å; Y124-F169 HydrophobicContact CD2-CZ 4.09Å; Y124-F169 HydrophobicContact CE1-CE2 4.37Å; Y124-F169 AromaticContact CE1-CZ 3.64Å; Y124-F169 HydrophobicContact CE1-CZ 3.64Å; Y124-F169 AromaticContact CE2-CZ 3.99Å; Y124-F169 HydrophobicContact CE2-CZ 3.99Å; Y124-F169 HydrophobicContact CG-CE2 4.15Å; Y124-F169 AromaticContact CG-CZ 3.98Å; Y124-F169 HydrophobicContact CG-CZ 3.98Å; Y124-F169 AromaticContact CZ-CZ 3.75Å; A152-F169 CarbonylContact C-O 3.58Å; A152-F169 WeakPolarHBondContact CA-O 3.32Å; S153-F169 PolarHBondContact N-O 2.9Å; S153-F169 WeakPolarHBondContact O-CD1 3.46Å; S153-F169 PolarHBondContact O-N 2.72Å; D155-F169 HydrophobicContact CB-CE1 3.88Å; F169-E171 HydrophobicContact CE2-CG 3.95Å; F169-E171 HydrophobicContact CZ-CG 4.37Å
170V97.2Very high87.8Confident0 Ų032.8 Ų32.80%020%0.2CC..EExtended strand (participates in β ladder)trans-95.7124.2-179.9-169.50000110.5F104 W105 V106 I139 I141 M148 A172 I201F104-V170 PolarHBondContact O-N 2.93Å; W105-V170 VanDerWaalsContact CA-O 3.29Å; W105-V170 WeakPolarHBondContact CA-O 3.48Å; W105-V170 HydrophobicContact CB-CB 3.76Å; W105-V170 HydrophobicContact CB-CG2 4.48Å; W105-V170 WeakPolarHBondContact CB-O 2.92Å; V106-V170 PolarHBondContact N-O 2.95Å; V106-V170 VanDerWaalsContact N-O 3.1Å; I139-V170 HydrophobicContact CB-CG1 3.94Å; I139-V170 HydrophobicContact CB-CG2 4.05Å; I139-V170 HydrophobicContact CG1-CG2 4.2Å; I139-V170 HydrophobicContact CG2-CG1 4.13Å; I139-V170 HydrophobicContact CG2-CG2 3.67Å; I141-V170 HydrophobicContact CD1-CG2 4.46Å; M148-V170 HydrophobicContact CE-CB 3.99Å; M148-V170 HydrophobicContact CE-CG1 3.73Å; M148-V170 HydrophobicContact CE-CG2 4.44Å; M148-V170 HydrophobicContact SD-CG1 3.99Å; V170-A172 PolarHBondContact O-N 3.47Å; V170-I201 HydrophobicContact CG2-CD1 3.88Å
171E97.3Very high86.8Confident0 Ų033.7 Ų33.70%020%0.202CC..EExtended strand (participates in β ladder)trans-80.8101.4164.9-83-168.2-11500108.7S108 K110 Y124 G150 F151 S153 F169 T173S108-E171 PolarHBondContact OG-OE2 2.84Å; K110-E171 IonicContact NZ-OE1 3.31Å; K110-E171 PolarHBondContact NZ-OE1 3.07Å; K110-E171 IonicContact NZ-OE2 3.03Å; K110-E171 PolarHBondContact NZ-OE2 3.21Å; Y124-E171 VanDerWaalsContact CD1-CD 3.46Å; Y124-E171 HydrophobicContact CD1-CG 3.65Å; Y124-E171 HydrophobicContact CE1-CG 4.16Å; G150-E171 WeakPolarHBondContact CA-O 3.47Å; F151-E171 HydrophobicContact CD1-CB 4.48Å; F151-E171 HydrophobicContact CD2-CB 4.24Å; F151-E171 HydrophobicContact CE1-CB 4Å; F151-E171 HydrophobicContact CE2-CB 3.72Å; F151-E171 VanDerWaalsContact CE2-CD 3.45Å; F151-E171 HydrophobicContact CE2-CG 4.05Å; F151-E171 VanDerWaalsContact CE2-OE1 3.27Å; F151-E171 WeakPolarHBondContact CE2-OE1 3.38Å; F151-E171 HydrophobicContact CZ-CB 3.55Å; F151-E171 VanDerWaalsContact CZ-CD 3.43Å; F151-E171 HydrophobicContact CZ-CG 4.09Å; F151-E171 WeakPolarHBondContact CZ-OE2 3.27Å; F151-E171 PolarHBondContact N-O 3.38Å; F151-E171 PolarHBondContact O-N 3.36Å; S153-E171 WeakPolarHBondContact CB-OE1 3.43Å; S153-E171 PolarHBondContact OG-OE1 2.8Å; F169-E171 HydrophobicContact CE2-CG 3.95Å; F169-E171 HydrophobicContact CZ-CG 4.37Å; E171-T173 PolarHBondContact O-N 3.01Å
172A93.4Very high85.8Confident0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-71.7123.4-179.200000111.1W105 V106 S108 M148 V170 Q175W105-A172 HydrophobicContact CE3-CB 4.08Å; V106-A172 PolarHBondContact O-N 3Å; S108-A172 WeakPolarHBondContact CB-O 3.07Å; S108-A172 PolarHBondContact N-O 3.16Å; M148-A172 HydrophobicContact CG-CB 4.03Å; M148-A172 HydrophobicContact SD-CB 3.46Å; M148-A172 WeakPolarHBondContact SD-CB 3.13Å; V170-A172 PolarHBondContact O-N 3.47Å; A172-Q175 HydrophobicContact CB-CG 3.94Å
173T92.5Very high84.8Confident37 Ų3734.5 Ų34.523%0.22719%0.189CC..EExtended strand (participates in β ladder)trans-108.8-14.7178.355.10000113.7C111 S112 K149 F151 E171C111-T173 WeakPolarHBondContact CA-O 3.46Å; C111-T173 WeakPolarHBondContact CB-O 3.36Å; S112-T173 PolarHBondContact N-O 3.22Å; K149-T173 PolarHBondContact O-N 3.33Å; K149-T173 PolarHBondContact O-OG1 3.05Å; F151-T173 HydrophobicContact CD1-CG2 3.97Å; F151-T173 HydrophobicContact CE1-CG2 3.56Å; E171-T173 PolarHBondContact O-N 3.01Å
174S87Confident83.9Confident46 Ų4636.1 Ų36.132%0.32219%0.192SC..EExtended strand (participates in β ladder)trans-144118.7176.3-179.70000109.6D115 K149 P176D115-S174 WeakPolarHBondContact OD2-CA 3.37Å; K149-S174 PolarHBondContact N-O 3.38Å; K149-S174 PolarHBondContact O-N 3.15Å; S174-P176 VanDerWaalsContact C-CD 3.48Å; S174-P176 WeakPolarHBondContact O-CD 3.39Å
175Q79Confident83.2Confident6 Ų636.6 Ų36.63%0.02819%0.194CC..  trans-124.968.3180-63.6169-4000110.2D115 A117 A172 G177 F180D115-Q175 PolarHBondContact OD2-N 2.8Å; A117-Q175 HydrophobicContact CB-CB 4.42Å; A172-Q175 HydrophobicContact CB-CG 3.94Å; Q175-G177 PolarHBondContact O-N 2.97Å; Q175-F180 HydrophobicContact CB-CD2 4.41Å
176P69.3Low82.8Confident53 Ų5330.4 Ų30.434%0.34417%0.167SC..  trans-66125.8-178.828.4-33000110.1S147 S174S147-P176 WeakPolarHBondContact O-CD 3.17Å; S147-P176 WeakPolarHBondContact O-CG 3.49Å; S174-P176 VanDerWaalsContact C-CD 3.48Å; S174-P176 WeakPolarHBondContact O-CD 3.39Å
177G65.7Low82.5Confident25 Ų2524.6 Ų24.626%0.25814%0.14SC..SBendtrans141.9135.8170.400000113.3Q175 A179 F180 V181Q175-G177 PolarHBondContact O-N 2.97Å; G177-A179 PolarHBondContact O-N 3.47Å; G177-A179 VanDerWaalsContact O-N 3.11Å; G177-F180 PolarHBondContact O-N 3.48Å; G177-V181 PolarHBondContact O-N 2.79Å
178I64.1Low82.2Confident56 Ų5624.6 Ų24.629%0.28714%0.14SC..Hα-helixtrans-59.7-24.8177.567153.6000112.6E43 F180 V181 F182E43-I178 HydrophobicContact CG-CD1 3.78Å; E43-I178 WeakPolarHBondContact OE1-CD1 3.36Å; I178-F180 VanDerWaalsContact C-N 3.27Å; I178-F180 PolarHBondContact O-N 3.48Å; I178-V181 PolarHBondContact O-N 2.92Å; I178-F182 HydrophobicContact CB-CD2 3.99Å; I178-F182 HydrophobicContact CB-CE2 4.1Å; I178-F182 HydrophobicContact CD1-CD2 4.34Å; I178-F182 HydrophobicContact CD1-CE2 4.33Å; I178-F182 WeakPolarHBondContact O-CB 3.35Å; I178-F182 WeakPolarHBondContact O-CD2 3.39Å; I178-F182 PolarHBondContact O-N 3.22Å
179A63.7Low82Confident4 Ų422.9 Ų22.93%0.03313%0.131CC..Hα-helixtrans-60-40.3179.500000111.1N74 M76 G177 F182 A183N74-A179 WeakPolarHBondContact OD1-CB 3.31Å; M76-A179 HydrophobicContact SD-CB 4.06Å; G177-A179 PolarHBondContact O-N 3.47Å; G177-A179 VanDerWaalsContact O-N 3.11Å; A179-F182 CarbonylContact O-C 3.51Å; A179-F182 PolarHBondContact O-N 3.18Å; A179-A183 WeakPolarHBondContact O-CA 3.46Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 3.05Å
180F68.9Low81.8Confident8 Ų823 Ų234%0.03513%0.132CC..Hα-helixtrans-78.5-28.8176.6-57.8-65.8000112.9Y75 W105 A117 H121 Y143 Q175 G177 I178 F182 F185Y75-F180 HydrophobicContact CD2-CE1 4.46Å; W105-F180 HydrophobicContact CH2-CD1 4.02Å; W105-F180 AromaticContact CH2-CE1 3.79Å; W105-F180 HydrophobicContact CH2-CE1 3.79Å; W105-F180 AromaticContact CZ2-CE1 3.85Å; W105-F180 HydrophobicContact CZ2-CE1 3.85Å; W105-F180 HydrophobicContact CZ2-CZ 4.36Å; A117-F180 HydrophobicContact CB-CB 3.88Å; H121-F180 PolarHBondContact CE1-O 3.21Å; Y143-F180 HydrophobicContact CD1-CZ 4.2Å; Y143-F180 HydrophobicContact CD2-CE2 4.15Å; Y143-F180 HydrophobicContact CE1-CE2 4.01Å; Y143-F180 AromaticContact CE1-CZ 3.52Å; Y143-F180 HydrophobicContact CE1-CZ 3.52Å; Y143-F180 AromaticContact CE2-CE2 3.57Å; Y143-F180 HydrophobicContact CE2-CE2 3.57Å; Y143-F180 AromaticContact CE2-CZ 3.95Å; Y143-F180 HydrophobicContact CE2-CZ 3.95Å; Y143-F180 AromaticContact CZ-CE2 3.48Å; Y143-F180 VanDerWaalsContact CZ-CE2 3.48Å; Y143-F180 AromaticContact CZ-CZ 3.35Å; Y143-F180 WeakPolarHBondContact OH-CZ 3.44Å; Q175-F180 HydrophobicContact CB-CD2 4.41Å; G177-F180 PolarHBondContact O-N 3.48Å; I178-F180 VanDerWaalsContact C-N 3.27Å; I178-F180 PolarHBondContact O-N 3.48Å; F180-F182 PolarHBondContact O-N 3.27Å; F180-F185 HydrophobicContact CD1-CE2 4.24Å; F180-F185 HydrophobicContact CD1-CZ 4.39Å; F180-F185 HydrophobicContact CE1-CE2 4.29Å; F180-F185 HydrophobicContact CE1-CZ 4.42Å
181V70.3Confident81.8Confident48 Ų4823 Ų2329%0.29113%0.132SC..Hα-helixtrans-62.9-35.9171.7176.10000110.9A117 L120 G177 I178A117-V181 HydrophobicContact CB-CG2 3.82Å; L120-V181 HydrophobicContact CD1-CG1 3.92Å; G177-V181 PolarHBondContact O-N 2.79Å; I178-V181 PolarHBondContact O-N 2.92Å
182F69.8Low81.7Confident87 Ų8723 Ų2338%0.38213%0.132SC..SBendtrans-1020.1-175.3-73.3-54.6000114.6V31 R34 I178 A179 F180V31-F182 HydrophobicContact CG1-CB 4.32Å; V31-F182 HydrophobicContact CG2-CB 4.34Å; R34-F182 PolarHBondContact NH1-O 3.46Å; I178-F182 HydrophobicContact CB-CD2 3.99Å; I178-F182 HydrophobicContact CB-CE2 4.1Å; I178-F182 HydrophobicContact CD1-CD2 4.34Å; I178-F182 HydrophobicContact CD1-CE2 4.33Å; I178-F182 WeakPolarHBondContact O-CB 3.35Å; I178-F182 WeakPolarHBondContact O-CD2 3.39Å; I178-F182 PolarHBondContact O-N 3.22Å; A179-F182 CarbonylContact O-C 3.51Å; A179-F182 PolarHBondContact O-N 3.18Å; F180-F182 PolarHBondContact O-N 3.27Å
183A75Confident81.7Confident9 Ų923.3 Ų23.37%0.07413%0.133CC..  trans-63.9151.7176.900000110H121 A179 F185H121-A183 PolarHBondContact NE2-O 3.41Å; A179-A183 WeakPolarHBondContact O-CA 3.46Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 3.05Å; A183-F185 HydrophobicContact CB-CD1 3.79Å; A183-F185 HydrophobicContact CB-CD2 4.34Å; A183-F185 HydrophobicContact CB-CE1 3.47Å; A183-F185 VanDerWaalsContact CB-CE1 3.47Å; A183-F185 HydrophobicContact CB-CE2 4.09Å; A183-F185 HydrophobicContact CB-CG 4.21Å; A183-F185 HydrophobicContact CB-CZ 3.64Å
184H79.5Confident81.8Confident79 Ų7923.8 Ų23.837%0.36614%0.137SC..SBendtrans-104.38.5171.4-67.2-56.5000112.6K28 Y81K28-H184 HydrophobicContact CB-CB 4.42Å; K28-H184 HydrophobicContact CD-CB 3.51Å; K28-H184 VanDerWaalsContact CD-CG 3.49Å; Y81-H184 HydrophobicContact CE1-CB 4.39Å
185F84Confident82Confident10 Ų1024.4 Ų24.44%0.04414%0.141CC..  trans-120.9147179.558.9-91.9000109.1Y75 A78 T94 I96 H121 F180 A183 G187 I188Y75-F185 HydrophobicContact CG-CZ 4.29Å; A78-F185 HydrophobicContact CB-CE1 4.29Å; T94-F185 WeakPolarHBondContact OG1-CA 3.36Å; I96-F185 HydrophobicContact CD1-CD1 3.55Å; I96-F185 HydrophobicContact CD1-CD2 3.92Å; I96-F185 HydrophobicContact CD1-CE1 3.38Å; I96-F185 HydrophobicContact CD1-CE2 3.73Å; I96-F185 HydrophobicContact CD1-CG 3.84Å; I96-F185 HydrophobicContact CD1-CZ 3.46Å; I96-F185 VanDerWaalsContact CD1-CZ 3.46Å; I96-F185 HydrophobicContact CG1-CB 4.28Å; I96-F185 HydrophobicContact CG1-CD1 3.82Å; I96-F185 HydrophobicContact CG1-CD2 4.11Å; I96-F185 HydrophobicContact CG1-CE1 4.18Å; I96-F185 HydrophobicContact CG1-CE2 4.42Å; I96-F185 HydrophobicContact CG1-CG 3.8Å; I96-F185 HydrophobicContact CG1-CZ 4.46Å; H121-F185 PolarHBondContact CD2-O 3.24Å; H121-F185 PolarHBondContact NE2-O 3.41Å; F180-F185 HydrophobicContact CD1-CE2 4.24Å; F180-F185 HydrophobicContact CD1-CZ 4.39Å; F180-F185 HydrophobicContact CE1-CE2 4.29Å; F180-F185 HydrophobicContact CE1-CZ 4.42Å; A183-F185 HydrophobicContact CB-CD1 3.79Å; A183-F185 HydrophobicContact CB-CD2 4.34Å; A183-F185 HydrophobicContact CB-CE1 3.47Å; A183-F185 VanDerWaalsContact CB-CE1 3.47Å; A183-F185 HydrophobicContact CB-CE2 4.09Å; A183-F185 HydrophobicContact CB-CG 4.21Å; A183-F185 HydrophobicContact CB-CZ 3.64Å; F185-G187 WeakPolarHBondContact CD2-O 3.19Å; F185-I188 HydrophobicContact CE2-CG1 4.3Å
186D89.8Confident82.4Confident11 Ų1124.1 Ų24.16%0.05914%0.14CC..SBendtrans-79.5-39.7178.7-57.2-64.6000111.6F93 T94 P107 H121 K122F93-D186 WeakPolarHBondContact CA-OD2 3.37Å; F93-D186 HydrophobicContact CB-CB 4.24Å; F93-D186 HydrophobicContact CD1-CB 3.93Å; T94-D186 PolarHBondContact N-OD2 3.5Å; T94-D186 WeakPolarHBondContact O-CA 3.14Å; T94-D186 WeakPolarHBondContact O-CB 3.3Å; T94-D186 PolarHBondContact O-N 2.88Å; T94-D186 PolarHBondContact OG1-N 3.32Å; T94-D186 PolarHBondContact OG1-OD2 3.02Å; P107-D186 WeakPolarHBondContact CD-O 3.43Å; P107-D186 WeakPolarHBondContact CG-O 3.48Å; H121-D186 WeakPolarHBondContact CB-OD1 3.3Å; H121-D186 IonicContact CD2-OD1 2.54Å; H121-D186 IonicContact CG-OD1 3.26Å; K122-D186 WeakPolarHBondContact CB-OD1 3.27Å; K122-D186 PolarHBondContact N-OD1 3.29Å; K122-D186 IonicContact NZ-OD2 3.44Å
187G91.4Very high83.5Confident0 Ų021.8 Ų21.80%013%0.125CC..EExtended strand (participates in β ladder)trans-153.5-166.2-173.800000114.6T94 V95 I96 W105 F185T94-G187 PolarHBondContact O-N 3.45Å; T94-G187 VanDerWaalsContact O-N 3.15Å; V95-G187 WeakPolarHBondContact CA-O 3.42Å; V95-G187 WeakPolarHBondContact CB-O 3.44Å; I96-G187 PolarHBondContact N-O 3.05Å; I96-G187 VanDerWaalsContact N-O 3.15Å; W105-G187 WeakPolarHBondContact O-CA 3.43Å; F185-G187 WeakPolarHBondContact CD2-O 3.19Å
188I91.2Very high84.6Confident0 Ų021.3 Ų21.30%012%0.117CC..EExtended strand (participates in β ladder)trans-133.8134.4-176.5-58.9176.6000108.7L72 Y75 D98 F104 W105 F185L72-I188 HydrophobicContact CD1-CD1 4.19Å; Y75-I188 HydrophobicContact CD2-CD1 3.65Å; Y75-I188 HydrophobicContact CE1-CD1 4.2Å; Y75-I188 HydrophobicContact CE2-CD1 3.03Å; Y75-I188 HydrophobicContact CE2-CG1 4.32Å; Y75-I188 HydrophobicContact CG-CD1 4.46Å; D98-I188 HydrophobicContact CB-CG2 4.01Å; F104-I188 WeakPolarHBondContact CA-O 3.25Å; F104-I188 WeakPolarHBondContact CD2-O 3.49Å; W105-I188 HydrophobicContact CH2-CD1 4.37Å; W105-I188 HydrophobicContact CH2-CG1 4.3Å; W105-I188 HydrophobicContact CZ2-CB 4.23Å; W105-I188 HydrophobicContact CZ2-CD1 3.34Å; W105-I188 HydrophobicContact CZ2-CG1 3.56Å; W105-I188 PolarHBondContact N-O 2.63Å; W105-I188 PolarHBondContact O-N 3.44Å; W105-I188 VanDerWaalsContact O-N 3.09Å; F185-I188 HydrophobicContact CE2-CG1 4.3Å
189L95.2Very high85.8Confident2 Ų219.7 Ų19.71%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-113.8101.4171.8-168.4163.2000107.8I84 V95 I96 F97 D98 F104 V159 M191 V204I84-L189 HydrophobicContact CG2-CD1 4.18Å; V95-L189 HydrophobicContact CB-CB 4.38Å; V95-L189 HydrophobicContact CG2-CB 3.88Å; V95-L189 HydrophobicContact CG2-CD1 4.46Å; I96-L189 PolarHBondContact O-N 3.22Å; F97-L189 WeakPolarHBondContact CA-O 3.35Å; F97-L189 HydrophobicContact CD1-CB 4.44Å; F97-L189 HydrophobicContact CD1-CD1 4.34Å; F97-L189 HydrophobicContact CD1-CD2 4.06Å; F97-L189 HydrophobicContact CE1-CD1 3.9Å; F97-L189 HydrophobicContact CE1-CD2 4.37Å; D98-L189 PolarHBondContact N-O 3.4Å; D98-L189 VanDerWaalsContact N-O 3.08Å; F104-L189 HydrophobicContact CD2-CB 4.1Å; F104-L189 HydrophobicContact CD2-CG 4.19Å; F104-L189 HydrophobicContact CG-CG 4.47Å; V159-L189 HydrophobicContact CG2-CD1 3.79Å; L189-M191 HydrophobicContact CD2-CG 4.07Å; L189-M191 HydrophobicContact CD2-SD 3.31Å; L189-M191 WeakPolarHBondContact CD2-SD 3.12Å; L189-V204 HydrophobicContact CD1-CB 4.46Å; L189-V204 HydrophobicContact CD1-CG1 4.33Å; L189-V204 HydrophobicContact CD1-CG2 4.3Å; L189-V204 HydrophobicContact CD2-CB 4.11Å; L189-V204 HydrophobicContact CD2-CG2 4.41Å; L189-V204 HydrophobicContact CG-CB 4.34Å; L189-V204 HydrophobicContact CG-CG2 4.13Å
190G94.8Very high87Confident1 Ų125.4 Ų25.41%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-65.4132.3176.700000112.8S101 N103S101-G190 CarbonylContact O-C 3.56Å; S101-G190 VanDerWaalsContact O-C 3.24Å; S101-G190 WeakPolarHBondContact O-CA 3.44Å; N103-G190 PolarHBondContact O-N 3.1Å
191M95.7Very high88.3Confident1 Ų125.1 Ų25.11%0.00514%0.143CC..  trans-116.310.7-176.1-64-63.8-70.400112.7F97 D98 T99 S101 L189 F205 F219 F237 W260F97-M191 HydrophobicContact CB-CG 4.14Å; F97-M191 HydrophobicContact CD1-CG 4.42Å; F97-M191 HydrophobicContact CD1-SD 4.21Å; D98-M191 PolarHBondContact O-N 3.36Å; T99-M191 HydrophobicContact CG2-CB 3.84Å; S101-M191 PolarHBondContact O-N 3.3Å; L189-M191 HydrophobicContact CD2-CG 4.07Å; L189-M191 HydrophobicContact CD2-SD 3.31Å; L189-M191 WeakPolarHBondContact CD2-SD 3.12Å; M191-F205 HydrophobicContact CE-CB 4.31Å; M191-F205 HydrophobicContact CE-CD2 4.34Å; M191-F205 HydrophobicContact CE-CG 4.4Å; M191-F205 HydrophobicContact SD-CB 4.5Å; M191-F219 HydrophobicContact CB-CE2 4.23Å; M191-F219 HydrophobicContact CB-CZ 3.98Å; M191-F219 HydrophobicContact CE-CB 4.32Å; M191-F219 HydrophobicContact CE-CD1 3.7Å; M191-F219 HydrophobicContact CE-CD2 3.57Å; M191-F219 HydrophobicContact CE-CE1 3.79Å; M191-F219 HydrophobicContact CE-CE2 3.67Å; M191-F219 HydrophobicContact CE-CG 3.58Å; M191-F219 HydrophobicContact CE-CZ 3.77Å; M191-F237 HydrophobicContact CE-CE1 3.7Å; M191-F237 HydrophobicContact CE-CZ 4.07Å; M191-W260 PolarHBondContact O-NE1 3.16Å
192G94.8Very high89.5Confident0 Ų025.1 Ų25.10%014%0.144CC..SBendtrans-85.3-173.2174.800000113.5S101 S102S101-G192 WeakPolarHBondContact O-CA 3.32Å; S101-G192 PolarHBondContact O-N 2.88Å; S102-G192 WeakPolarHBondContact OG-CA 3.44Å; S102-G192 PolarHBondContact OG-O 3.01Å
193Y94.8Very high90.8Very high7 Ų721 Ų213%0.02713%0.126CC..  trans-78.3148.1-176-75.3-90.7000113.9S102 S195 I196 V254 Q257 Y259 W260 M389 N392S102-Y193 PolarHBondContact OG-N 3.31Å; S102-Y193 PolarHBondContact OG-O 3.03Å; Y193-S195 PolarHBondContact O-N 2.65Å; Y193-I196 WeakPolarHBondContact O-CG1 3.34Å; Y193-I196 PolarHBondContact O-N 3.24Å; Y193-V254 HydrophobicContact CE2-CG1 4.05Å; Y193-Q257 WeakPolarHBondContact CB-O 3.44Å; Y193-Q257 HydrophobicContact CD1-CB 3.69Å; Y193-Q257 HydrophobicContact CD1-CG 4.23Å; Y193-Q257 HydrophobicContact CE1-CB 3.76Å; Y193-Q257 HydrophobicContact CE1-CG 3.77Å; Y193-Q257 HydrophobicContact CG-CB 4.12Å; Y193-Y259 WeakPolarHBondContact CE2-O 3.49Å; Y193-W260 AromaticContact CE2-CD2 3.95Å; Y193-W260 HydrophobicContact CE2-CD2 3.95Å; Y193-W260 AromaticContact CE2-CE3 3.86Å; Y193-W260 HydrophobicContact CE2-CE3 3.86Å; Y193-W260 HydrophobicContact CE2-CH2 4.38Å; Y193-W260 HydrophobicContact CE2-CZ2 4.44Å; Y193-W260 HydrophobicContact CE2-CZ3 4.09Å; Y193-W260 AromaticContact CZ-CZ3 3.98Å; Y193-M389 HydrophobicContact CE1-CG 4.35Å; Y193-N392 WeakPolarHBondContact CE1-OD1 3.4Å; Y193-N392 PolarHBondContact OH-OD1 2.89Å
194P93.8Very high91.9Very high46 Ų4620.8 Ų20.830%0.29912%0.123SC..G310 helixtrans-54.6-24.5179-23.630.1000115.3I196 A197 P203 N206P194-I196 PolarHBondContact O-N 3.37Å; P194-A197 WeakPolarHBondContact O-CB 3.33Å; P194-A197 PolarHBondContact O-N 3.14Å; P194-A197 VanDerWaalsContact O-N 3.12Å; P194-P203 HydrophobicContact CB-CG 4.36Å; P194-P203 HydrophobicContact CG-CG 4.18Å; P194-N206 HydrophobicContact CG-CB 4.49Å; P194-N206 WeakPolarHBondContact CG-ND2 3.38Å
195S91.1Very high92.8Very high59 Ų5917.1 Ų17.141%0.41311%0.106SC..G310 helixtrans-66.9-16.5-175.965.70000114.6Y193 Q257 R258Y193-S195 PolarHBondContact O-N 2.65Å; S195-Q257 PolarHBondContact OG-O 3.15Å; S195-R258 WeakPolarHBondContact OG-CA 3.39Å; S195-R258 WeakPolarHBondContact OG-CG 3.03Å
196I88.3Confident93.5Very high0 Ų017.8 Ų17.80%011%0.11CC..G310 helixtrans-103.2-2.3174.665.3169000112.9I68 E70 S102 Y193 P194 V198 R258 Y259I68-I196 HydrophobicContact CD1-CG2 4.2Å; E70-I196 WeakPolarHBondContact CA-O 3.38Å; E70-I196 VanDerWaalsContact CB-O 3.24Å; E70-I196 WeakPolarHBondContact CB-O 3.01Å; E70-I196 PolarHBondContact N-O 3.32Å; S102-I196 WeakPolarHBondContact OG-CD1 3.49Å; S102-I196 WeakPolarHBondContact OG-CG1 3.29Å; Y193-I196 WeakPolarHBondContact O-CG1 3.34Å; Y193-I196 PolarHBondContact O-N 3.24Å; P194-I196 PolarHBondContact O-N 3.37Å; I196-V198 PolarHBondContact O-N 2.81Å; I196-R258 HydrophobicContact CG2-CB 3.77Å; I196-R258 HydrophobicContact CG2-CG 4.2Å; I196-Y259 HydrophobicContact CD1-CD1 3.9Å; I196-Y259 HydrophobicContact CD1-CE1 3.54Å
197A91.4Very high93.9Very high5 Ų518.5 Ų18.54%0.04111%0.114CC..  trans-73.1123.8-17600000112.4E70 P194 G199 N200 I201E70-A197 WeakPolarHBondContact OE2-CA 3.48Å; P194-A197 WeakPolarHBondContact O-CB 3.33Å; P194-A197 PolarHBondContact O-N 3.14Å; P194-A197 VanDerWaalsContact O-N 3.12Å; A197-G199 PolarHBondContact O-N 3.29Å; A197-N200 PolarHBondContact O-N 3.09Å; A197-I201 WeakPolarHBondContact CB-O 3.32Å
198V89.6Confident94.2Very high15 Ų1518.6 Ų18.69%0.09111%0.114CC..G310 helixtrans-63.5139.2174.31790000110E70 N103 I139 I141 I196 N200 I201E70-V198 HydrophobicContact CB-CG2 3.5Å; N103-V198 PolarHBondContact ND2-N 3.38Å; N103-V198 PolarHBondContact ND2-O 3.19Å; N103-V198 VanDerWaalsContact OD1-CB 3.28Å; N103-V198 WeakPolarHBondContact OD1-CB 3.45Å; N103-V198 PolarHBondContact OD1-N 2.86Å; I139-V198 HydrophobicContact CG2-CB 4.44Å; I139-V198 HydrophobicContact CG2-CG1 3.91Å; I141-V198 HydrophobicContact CG1-CB 4.26Å; I141-V198 HydrophobicContact CG1-CG2 4.25Å; I196-V198 PolarHBondContact O-N 2.81Å; V198-N200 PolarHBondContact O-N 2.91Å; V198-I201 WeakPolarHBondContact O-CG1 3.41Å
199G89.4Confident94.5Very high22 Ų2221.2 Ų21.223%0.22713%0.128CC..G310 helixtrans72.811.2179.600000113.5R137 A197 I201R137-G199 PolarHBondContact NH1-O 2.85Å; A197-G199 PolarHBondContact O-N 3.29Å; G199-I201 PolarHBondContact O-N 3.23Å
200N88.9Confident94.6Very high124 Ų12427 Ų2766%0.66316%0.155SC*.G310 helixtrans55.842.9-177.2-164.148000111.2A197 V198A197-N200 PolarHBondContact O-N 3.09Å; V198-N200 PolarHBondContact O-N 2.91Å
201I94.5Very high94.8Very high2 Ų229.9 Ų29.91%0.0117%0.168CC..PPolyproline II helixtrans-84.1122.6175.8-66.6171.5000107.8R137 I139 A152 I168 V170 A197 V198 G199 P203R137-I201 VanDerWaalsContact NH2-CG1 3.3Å; I139-I201 HydrophobicContact CD1-CD1 4.2Å; I139-I201 HydrophobicContact CG1-CD1 4.32Å; A152-I201 HydrophobicContact CB-CD1 4.49Å; I168-I201 HydrophobicContact CB-CG2 4.19Å; I168-I201 HydrophobicContact CG2-CD1 4.32Å; I168-I201 HydrophobicContact CG2-CG1 4.17Å; I168-I201 HydrophobicContact CG2-CG2 4.31Å; I168-I201 WeakPolarHBondContact O-CG2 3.5Å; V170-I201 HydrophobicContact CG2-CD1 3.88Å; A197-I201 WeakPolarHBondContact CB-O 3.32Å; V198-I201 WeakPolarHBondContact O-CG1 3.41Å; G199-I201 PolarHBondContact O-N 3.23Å; I201-P203 WeakPolarHBondContact O-CD 3.27Å
202T96.9Very high94.9Very high48 Ų4838.9 Ų38.929%0.29421%0.207SC..PPolyproline II helixtrans-64.6123.5173.4-53.40000110.2Q167 N206 M207Q167-T202 PolarHBondContact NE2-O 3.25Å; T202-N206 HydrophobicContact CG2-CB 3.58Å; T202-M207 HydrophobicContact CG2-CG 3.88Å; T202-M207 HydrophobicContact CG2-SD 3.58Å; T202-M207 VanDerWaalsContact CG2-SD 3.58Å
203P97.4Very high95Very high1 Ų142.1 Ų42.11%0.00622%0.224CC..PPolyproline II helixtrans-61.2156.9178.2-22.633.3000112.8P194 I201 F205 N206 M207P194-P203 HydrophobicContact CB-CG 4.36Å; P194-P203 HydrophobicContact CG-CG 4.18Å; I201-P203 WeakPolarHBondContact O-CD 3.27Å; P203-F205 VanDerWaalsContact C-N 3.32Å; P203-F205 PolarHBondContact O-N 3.1Å; P203-N206 WeakPolarHBondContact CB-OD1 3.39Å; P203-N206 WeakPolarHBondContact CG-OD1 3.41Å; P203-N206 WeakPolarHBondContact O-CB 3.42Å; P203-N206 PolarHBondContact O-N 2.82Å; P203-N206 VanDerWaalsContact O-N 3.16Å; P203-M207 PolarHBondContact O-N 3.06Å
204V98.1Very high95Very high4 Ų443.2 Ų43.22%0.02423%0.23CC..Hα-helixtrans-57.5-44.2-176.9171.60000112F104 V164 Q167 L189 N206 M207 M208F104-V204 HydrophobicContact CB-CG2 3.89Å; F104-V204 HydrophobicContact CD1-CG2 3.71Å; F104-V204 HydrophobicContact CG-CG2 3.95Å; V164-V204 HydrophobicContact CG2-CG1 4.03Å; Q167-V204 HydrophobicContact CG-CG2 4Å; L189-V204 HydrophobicContact CD1-CB 4.46Å; L189-V204 HydrophobicContact CD1-CG1 4.33Å; L189-V204 HydrophobicContact CD1-CG2 4.3Å; L189-V204 HydrophobicContact CD2-CB 4.11Å; L189-V204 HydrophobicContact CD2-CG2 4.41Å; L189-V204 HydrophobicContact CG-CB 4.34Å; L189-V204 HydrophobicContact CG-CG2 4.13Å; V204-N206 PolarHBondContact O-N 3.39Å; V204-M207 PolarHBondContact O-N 3.2Å; V204-M208 HydrophobicContact CG1-CE 3.79Å; V204-M208 WeakPolarHBondContact O-CG 3.31Å; V204-M208 PolarHBondContact O-N 2.9Å
205F97.9Very high95.1Very high2 Ų246.5 Ų46.51%0.00925%0.249CC..Hα-helixtrans-65.8-38.2-179.6-169-110.1000112.3M191 P203 M207 M208 I209 L214 F219 F237 M389M191-F205 HydrophobicContact CE-CB 4.31Å; M191-F205 HydrophobicContact CE-CD2 4.34Å; M191-F205 HydrophobicContact CE-CG 4.4Å; M191-F205 HydrophobicContact SD-CB 4.5Å; P203-F205 VanDerWaalsContact C-N 3.32Å; P203-F205 PolarHBondContact O-N 3.1Å; F205-M207 VanDerWaalsContact C-N 3.35Å; F205-M207 PolarHBondContact O-N 2.78Å; F205-M208 HydrophobicContact CD2-SD 4.03Å; F205-M208 WeakPolarHBondContact O-CB 3.46Å; F205-M208 PolarHBondContact O-N 2.66Å; F205-M208 VanDerWaalsContact O-N 3.15Å; F205-I209 HydrophobicContact CD1-CD1 3.9Å; F205-I209 HydrophobicContact CE1-CD1 3.62Å; F205-I209 HydrophobicContact CE1-CG1 4.28Å; F205-I209 HydrophobicContact CZ-CD1 4.3Å; F205-I209 WeakPolarHBondContact O-CG1 3.44Å; F205-I209 PolarHBondContact O-N 2.8Å; F205-I209 VanDerWaalsContact O-N 3.11Å; F205-L214 HydrophobicContact CD2-CD1 4.12Å; F205-L214 HydrophobicContact CE2-CD1 3.38Å; F205-L214 HydrophobicContact CZ-CD1 3.7Å; F205-F219 AromaticContact CD1-CD1 3.78Å; F205-F219 HydrophobicContact CD1-CD1 3.78Å; F205-F219 AromaticContact CD1-CE1 3.92Å; F205-F219 HydrophobicContact CD1-CE1 3.92Å; F205-F219 AromaticContact CD2-CD1 3.95Å; F205-F219 HydrophobicContact CD2-CD1 3.95Å; F205-F219 AromaticContact CE1-CD1 3.56Å; F205-F219 HydrophobicContact CE1-CD1 3.56Å; F205-F219 AromaticContact CE1-CE1 4Å; F205-F219 HydrophobicContact CE1-CE1 4Å; F205-F219 HydrophobicContact CE2-CB 3.94Å; F205-F219 AromaticContact CE2-CD1 3.74Å; F205-F219 HydrophobicContact CE2-CD1 3.74Å; F205-F219 HydrophobicContact CE2-CG 4.3Å; F205-F219 AromaticContact CG-CD1 3.97Å; F205-F219 HydrophobicContact CG-CD1 3.97Å; F205-F219 HydrophobicContact CG-CE1 4.28Å; F205-F219 HydrophobicContact CZ-CB 4.24Å; F205-F219 AromaticContact CZ-CD1 3.56Å; F205-F219 HydrophobicContact CZ-CD1 3.56Å; F205-F219 HydrophobicContact CZ-CE1 4.44Å; F205-F219 HydrophobicContact CZ-CG 4.39Å; F205-F237 AromaticContact CD2-CD1 3.9Å; F205-F237 HydrophobicContact CD2-CD1 3.9Å; F205-F237 HydrophobicContact CD2-CE1 4.05Å; F205-F237 AromaticContact CE2-CD1 3.96Å; F205-F237 HydrophobicContact CE2-CD1 3.96Å; F205-M389 HydrophobicContact CD1-CB 4.36Å; F205-M389 HydrophobicContact CD1-CE 3.99Å; F205-M389 HydrophobicContact CD1-SD 3.97Å; F205-M389 HydrophobicContact CE1-CB 3.86Å; F205-M389 HydrophobicContact CE1-SD 4.42Å
206N98Very high95.3Very high24 Ų2448.1 Ų48.113%0.12825%0.25CC..Hα-helixtrans-62.6-41.7173.2-66.286000111.6P194 T202 P203 V204 M208 I209 E210 M389P194-N206 HydrophobicContact CG-CB 4.49Å; P194-N206 WeakPolarHBondContact CG-ND2 3.38Å; T202-N206 HydrophobicContact CG2-CB 3.58Å; P203-N206 WeakPolarHBondContact CB-OD1 3.39Å; P203-N206 WeakPolarHBondContact CG-OD1 3.41Å; P203-N206 WeakPolarHBondContact O-CB 3.42Å; P203-N206 PolarHBondContact O-N 2.82Å; P203-N206 VanDerWaalsContact O-N 3.16Å; V204-N206 PolarHBondContact O-N 3.39Å; N206-M208 VanDerWaalsContact C-N 3.28Å; N206-M208 PolarHBondContact O-N 3.29Å; N206-I209 PolarHBondContact O-N 2.99Å; N206-E210 WeakPolarHBondContact O-CG 3.32Å; N206-E210 PolarHBondContact O-N 3.15Å; N206-M389 PolarHBondContact ND2-SD 2.81Å
207M98.2Very high95.7Very high26 Ų2650.2 Ų50.213%0.12826%0.263CS..Hα-helixtrans-62.9-34.3174.2-67.9-57.9-53.300112.2V164 T202 P203 V204 F205 Q211V164-M207 HydrophobicContact CB-CB 4.16Å; V164-M207 VanDerWaalsContact CG1-C 3.48Å; V164-M207 HydrophobicContact CG1-CB 3.65Å; T202-M207 HydrophobicContact CG2-CG 3.88Å; T202-M207 HydrophobicContact CG2-SD 3.58Å; T202-M207 VanDerWaalsContact CG2-SD 3.58Å; P203-M207 PolarHBondContact O-N 3.06Å; V204-M207 PolarHBondContact O-N 3.2Å; F205-M207 VanDerWaalsContact C-N 3.35Å; F205-M207 PolarHBondContact O-N 2.78Å; M207-Q211 HydrophobicContact CE-CG 4.48Å; M207-Q211 VanDerWaalsContact O-CB 3.27Å; M207-Q211 WeakPolarHBondContact O-CB 3.39Å; M207-Q211 VanDerWaalsContact O-CG 3.3Å; M207-Q211 WeakPolarHBondContact O-CG 3.41Å; M207-Q211 PolarHBondContact O-N 2.98Å
208M98Very high96Very high1 Ų150.2 Ų50.21%0.00526%0.263CS..Hα-helixtrans-63.5-41.8174.6-67.3173.1174.800111.5V159 I162 V164 V204 F205 N206 K212 L213 L214 F237V159-M208 HydrophobicContact CB-CE 3.75Å; V159-M208 HydrophobicContact CG1-CE 3.68Å; I162-M208 HydrophobicContact CB-CE 4.32Å; I162-M208 HydrophobicContact CG2-CE 4.11Å; I162-M208 HydrophobicContact CG2-CG 4.01Å; I162-M208 HydrophobicContact CG2-SD 4.28Å; V164-M208 HydrophobicContact CG1-CB 4.23Å; V164-M208 HydrophobicContact CG1-CG 3.63Å; V204-M208 HydrophobicContact CG1-CE 3.79Å; V204-M208 WeakPolarHBondContact O-CG 3.31Å; V204-M208 PolarHBondContact O-N 2.9Å; F205-M208 HydrophobicContact CD2-SD 4.03Å; F205-M208 WeakPolarHBondContact O-CB 3.46Å; F205-M208 PolarHBondContact O-N 2.66Å; F205-M208 VanDerWaalsContact O-N 3.15Å; N206-M208 VanDerWaalsContact C-N 3.28Å; N206-M208 PolarHBondContact O-N 3.29Å; M208-K212 PolarHBondContact O-N 3.4Å; M208-L213 PolarHBondContact O-N 3.13Å; M208-L214 HydrophobicContact CB-CD1 3.85Å; M208-L214 HydrophobicContact CB-CD2 4.39Å; M208-L214 HydrophobicContact CB-CG 3.96Å; M208-L214 HydrophobicContact SD-CD2 4.33Å; M208-F237 HydrophobicContact CE-CD1 4.38Å; M208-F237 HydrophobicContact CE-CE1 4.33Å; M208-F237 HydrophobicContact SD-CD1 3.9Å; M208-F237 HydrophobicContact SD-CE1 4.2Å
209I97.8Very high96.4Very high56 Ų5649.5 Ų49.529%0.28726%0.259SS..Hα-helixtrans-66.5-50.9176.3-63.1168.1000110.6F205 N206 Q211 K212 L214 P217 M389F205-I209 HydrophobicContact CD1-CD1 3.9Å; F205-I209 HydrophobicContact CE1-CD1 3.62Å; F205-I209 HydrophobicContact CE1-CG1 4.28Å; F205-I209 HydrophobicContact CZ-CD1 4.3Å; F205-I209 WeakPolarHBondContact O-CG1 3.44Å; F205-I209 PolarHBondContact O-N 2.8Å; F205-I209 VanDerWaalsContact O-N 3.11Å; N206-I209 PolarHBondContact O-N 2.99Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 3.28Å; I209-K212 WeakPolarHBondContact O-CA 3.13Å; I209-K212 PolarHBondContact O-N 2.71Å; I209-L214 HydrophobicContact CG1-CD1 4.04Å; I209-P217 HydrophobicContact CD1-CB 3.72Å; I209-P217 HydrophobicContact CG1-CB 3.87Å; I209-P217 HydrophobicContact CG2-CB 4.41Å; I209-M389 HydrophobicContact CD1-CB 4.07Å; I209-M389 HydrophobicContact CD1-CG 4.32Å; I209-M389 HydrophobicContact CD1-SD 4.21Å
210E97.7Very high96.9Very high124 Ų12448.4 Ų48.458%0.57925%0.248SC*.Hα-helixtrans-59-39.2-179.1-74.5177.1-168.900112.2N206 K212N206-E210 WeakPolarHBondContact O-CG 3.32Å; N206-E210 PolarHBondContact O-N 3.15Å; E210-K212 PolarHBondContact O-N 2.9Å
211Q98.2Very high97.3Very high61 Ų6142.7 Ų42.729%0.28522%0.217SC..THydrogen-bonded Turntrans-833.4177.2-65.1-178.633.300113.5K165 M207 I209 L213K165-Q211 PolarHBondContact O-NE2 3.45Å; M207-Q211 HydrophobicContact CE-CG 4.48Å; M207-Q211 VanDerWaalsContact O-CB 3.27Å; M207-Q211 WeakPolarHBondContact O-CB 3.39Å; M207-Q211 VanDerWaalsContact O-CG 3.3Å; M207-Q211 WeakPolarHBondContact O-CG 3.41Å; M207-Q211 PolarHBondContact O-N 2.98Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 3.28Å; Q211-L213 VanDerWaalsContact C-N 3.32Å; Q211-L213 HydrophobicContact CB-CD1 3.91Å; Q211-L213 HydrophobicContact CB-CD2 4.33Å; Q211-L213 HydrophobicContact CB-CG 3.75Å; Q211-L213 PolarHBondContact O-N 3.29Å
212K97.5Very high97.4Very high189 Ų18944.1 Ų44.182%0.82222%0.222SC*.THydrogen-bonded Turntrans54.444.3179-56-178.9-179.5-178.70113M208 I209 E210M208-K212 PolarHBondContact O-N 3.4Å; I209-K212 WeakPolarHBondContact O-CA 3.13Å; I209-K212 PolarHBondContact O-N 2.71Å; E210-K212 PolarHBondContact O-N 2.9Å
213L96.9Very high97.2Very high68 Ų6842 Ų4236%0.35621%0.209SC..  trans-93.6-2.8-177.2-57.6177.9000113.5I162 C163 V164 M208 Q211I162-L213 HydrophobicContact CG2-CB 3.74Å; I162-L213 HydrophobicContact CG2-CD1 3.85Å; I162-L213 HydrophobicContact CG2-CG 4.42Å; C163-L213 WeakPolarHBondContact O-CD1 3.39Å; V164-L213 HydrophobicContact CG1-CD1 3.72Å; M208-L213 PolarHBondContact O-N 3.13Å; Q211-L213 VanDerWaalsContact C-N 3.32Å; Q211-L213 HydrophobicContact CB-CD1 3.91Å; Q211-L213 HydrophobicContact CB-CD2 4.33Å; Q211-L213 HydrophobicContact CB-CG 3.75Å; Q211-L213 PolarHBondContact O-N 3.29Å
214L95.8Very high96.9Very high30 Ų3043.3 Ų43.316%0.15722%0.216CC..  trans-117.5147.7-177.1-57.2173.3000110.3I162 F205 M208 I209 E216 F237I162-L214 HydrophobicContact CD1-CD2 3.57Å; F205-L214 HydrophobicContact CD2-CD1 4.12Å; F205-L214 HydrophobicContact CE2-CD1 3.38Å; F205-L214 HydrophobicContact CZ-CD1 3.7Å; M208-L214 HydrophobicContact CB-CD1 3.85Å; M208-L214 HydrophobicContact CB-CD2 4.39Å; M208-L214 HydrophobicContact CB-CG 3.96Å; M208-L214 HydrophobicContact SD-CD2 4.33Å; I209-L214 HydrophobicContact CG1-CD1 4.04Å; L214-E216 WeakPolarHBondContact CB-O 3.42Å; L214-F237 HydrophobicContact CD2-CB 4.13Å
215V94.7Very high96.3Very high115 Ų11547.3 Ų47.370%0.69723%0.231SC*.SBendtrans-67.4-49.1170.2-178.40000109.6
216E96.5Very high95.7Very high93 Ų9350.9 Ų50.944%0.43525%0.25SC..SBendtrans-125.3147.3174.5-59.7-173.3154.800110.7L214 V218 G238L214-E216 WeakPolarHBondContact CB-O 3.42Å; E216-V218 HydrophobicContact CB-CB 4.43Å; E216-V218 HydrophobicContact CB-CG2 4.05Å; E216-V218 PolarHBondContact O-N 2.73Å; E216-G238 PolarHBondContact N-O 2.8Å; E216-G238 WeakPolarHBondContact O-CA 3.45Å
217P97.4Very high94.7Very high44 Ų4455.1 Ų55.129%0.28628%0.277SS..SBendtrans-76.447176.535.1-38.8000112.2I209 M389 G390I209-P217 HydrophobicContact CD1-CB 3.72Å; I209-P217 HydrophobicContact CG1-CB 3.87Å; I209-P217 HydrophobicContact CG2-CB 4.41Å; P217-M389 PolarHBondContact O-N 2.89Å; P217-G390 PolarHBondContact O-N 2.88Å
218V97.8Very high93.8Very high5 Ų558.6 Ų58.63%0.0330%0.304CS..EExtended strand (participates in β ladder)trans-124140.8-175.9-1750000109.7E216 G238 G239 L240 F387 D388E216-V218 HydrophobicContact CB-CB 4.43Å; E216-V218 HydrophobicContact CB-CG2 4.05Å; E216-V218 PolarHBondContact O-N 2.73Å; V218-G238 WeakPolarHBondContact O-CA 3.08Å; V218-G238 PolarHBondContact O-N 3.19Å; V218-G239 PolarHBondContact O-N 2.8Å; V218-L240 HydrophobicContact CG1-CD2 4.43Å; V218-F387 WeakPolarHBondContact CA-O 3.37Å; V218-D388 HydrophobicContact CG1-CB 4.46Å; V218-D388 HydrophobicContact CG2-CB 3.89Å
219F98Very high93.1Very high0 Ų060.3 Ų60.30%032%0.316CS..EExtended strand (participates in β ladder)trans-127.7160.316065.7-86.2000109.9T99 M191 F205 F221 T236 F237 W260 F387T99-F219 HydrophobicContact CG2-CE2 3.89Å; T99-F219 HydrophobicContact CG2-CZ 4.15Å; M191-F219 HydrophobicContact CB-CE2 4.23Å; M191-F219 HydrophobicContact CB-CZ 3.98Å; M191-F219 HydrophobicContact CE-CB 4.32Å; M191-F219 HydrophobicContact CE-CD1 3.7Å; M191-F219 HydrophobicContact CE-CD2 3.57Å; M191-F219 HydrophobicContact CE-CE1 3.79Å; M191-F219 HydrophobicContact CE-CE2 3.67Å; M191-F219 HydrophobicContact CE-CG 3.58Å; M191-F219 HydrophobicContact CE-CZ 3.77Å; F205-F219 AromaticContact CD1-CD1 3.78Å; F205-F219 HydrophobicContact CD1-CD1 3.78Å; F205-F219 AromaticContact CD1-CE1 3.92Å; F205-F219 HydrophobicContact CD1-CE1 3.92Å; F205-F219 AromaticContact CD2-CD1 3.95Å; F205-F219 HydrophobicContact CD2-CD1 3.95Å; F205-F219 AromaticContact CE1-CD1 3.56Å; F205-F219 HydrophobicContact CE1-CD1 3.56Å; F205-F219 AromaticContact CE1-CE1 4Å; F205-F219 HydrophobicContact CE1-CE1 4Å; F205-F219 HydrophobicContact CE2-CB 3.94Å; F205-F219 AromaticContact CE2-CD1 3.74Å; F205-F219 HydrophobicContact CE2-CD1 3.74Å; F205-F219 HydrophobicContact CE2-CG 4.3Å; F205-F219 AromaticContact CG-CD1 3.97Å; F205-F219 HydrophobicContact CG-CD1 3.97Å; F205-F219 HydrophobicContact CG-CE1 4.28Å; F205-F219 HydrophobicContact CZ-CB 4.24Å; F205-F219 AromaticContact CZ-CD1 3.56Å; F205-F219 HydrophobicContact CZ-CD1 3.56Å; F205-F219 HydrophobicContact CZ-CE1 4.44Å; F205-F219 HydrophobicContact CZ-CG 4.39Å; F219-F221 HydrophobicContact CD2-CD2 4.08Å; F219-F221 AromaticContact CD2-CE2 3.75Å; F219-F221 HydrophobicContact CD2-CE2 3.75Å; F219-F221 HydrophobicContact CE2-CD2 4.24Å; F219-F221 AromaticContact CE2-CE2 3.75Å; F219-F221 HydrophobicContact CE2-CE2 3.75Å; F219-T236 CarbonylContact C-O 3.56Å; F219-T236 WeakPolarHBondContact CA-O 3.43Å; F219-T236 WeakPolarHBondContact CB-O 3.34Å; F219-F237 HydrophobicContact CB-CD1 4.21Å; F219-F237 HydrophobicContact CB-CE1 4.46Å; F219-W260 HydrophobicContact CE1-CH2 4.1Å; F219-W260 AromaticContact CE1-CZ2 3.57Å; F219-W260 HydrophobicContact CE1-CZ2 3.57Å; F219-W260 AromaticContact CZ-CE2 3.98Å; F219-W260 HydrophobicContact CZ-CH2 4.42Å; F219-W260 AromaticContact CZ-CZ2 3.61Å; F219-W260 HydrophobicContact CZ-CZ2 3.61Å; F219-F387 HydrophobicContact CD1-CB 3.96Å; F219-F387 HydrophobicContact CD2-CB 3.94Å; F219-F387 AromaticContact CD2-CD2 3.65Å; F219-F387 HydrophobicContact CD2-CD2 3.65Å; F219-F387 HydrophobicContact CD2-CG 4.1Å; F219-F387 HydrophobicContact CE1-CB 3.52Å; F219-F387 HydrophobicContact CE1-CG 4.29Å; F219-F387 HydrophobicContact CE2-CB 3.49Å; F219-F387 VanDerWaalsContact CE2-CB 3.49Å; F219-F387 HydrophobicContact CE2-CD1 4.28Å; F219-F387 AromaticContact CE2-CD2 3.19Å; F219-F387 HydrophobicContact CE2-CD2 3.19Å; F219-F387 AromaticContact CE2-CE2 3.92Å; F219-F387 HydrophobicContact CE2-CE2 3.92Å; F219-F387 AromaticContact CE2-CG 3.4Å; F219-F387 HydrophobicContact CE2-CG 3.4Å; F219-F387 HydrophobicContact CG-CB 4.17Å; F219-F387 HydrophobicContact CZ-CB 3.26Å; F219-F387 HydrophobicContact CZ-CD1 4.19Å; F219-F387 AromaticContact CZ-CD2 3.85Å; F219-F387 HydrophobicContact CZ-CD2 3.85Å; F219-F387 AromaticContact CZ-CG 3.52Å; F219-F387 HydrophobicContact CZ-CG 3.52Å; F219-F387 PolarHBondContact N-O 3.31Å; F219-F387 PolarHBondContact O-N 3.31Å
220S98.1Very high92.4Very high0 Ų065.3 Ų65.30%034%0.338CS..EExtended strand (participates in β ladder)trans-150.3152.3-177.3460000112.4I235 T236 G239 Y384 T385S220-I235 CarbonylContact O-C 3.57Å; S220-I235 VanDerWaalsContact O-CA 3.26Å; S220-I235 WeakPolarHBondContact O-CA 3.41Å; S220-T236 PolarHBondContact N-O 2.98Å; S220-T236 PolarHBondContact O-N 2.86Å; S220-G239 PolarHBondContact OG-O 3.21Å; S220-G239 VanDerWaalsContact OG-O 3.11Å; S220-Y384 VanDerWaalsContact CB-CE1 3.46Å; S220-Y384 WeakPolarHBondContact CB-OH 3.49Å; S220-Y384 PolarHBondContact OG-OH 2.96Å; S220-T385 CarbonylContact C-O 3.56Å; S220-T385 VanDerWaalsContact CA-O 3.24Å; S220-T385 WeakPolarHBondContact CA-O 3.42Å; S220-T385 WeakPolarHBondContact CB-O 3.48Å
221F97.5Very high92Very high4 Ų463.3 Ų63.32%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-117.6132.5-177.5-81.2-107.9000110.3L25 F97 T99 F219 L223 E234 I235 T286 I380 T385 F387L25-F221 HydrophobicContact CD1-CD1 3.95Å; L25-F221 HydrophobicContact CD1-CE1 3.99Å; F97-F221 HydrophobicContact CB-CE1 4.24Å; F97-F221 HydrophobicContact CB-CZ 3.71Å; T99-F221 HydrophobicContact CG2-CE2 4.31Å; F219-F221 HydrophobicContact CD2-CD2 4.08Å; F219-F221 AromaticContact CD2-CE2 3.75Å; F219-F221 HydrophobicContact CD2-CE2 3.75Å; F219-F221 HydrophobicContact CE2-CD2 4.24Å; F219-F221 AromaticContact CE2-CE2 3.75Å; F219-F221 HydrophobicContact CE2-CE2 3.75Å; F221-L223 HydrophobicContact CD1-CD2 4.22Å; F221-E234 WeakPolarHBondContact CA-O 3.29Å; F221-I235 HydrophobicContact CD1-CD1 4.24Å; F221-I235 HydrophobicContact CD1-CG1 3.81Å; F221-I235 HydrophobicContact CD2-CG1 4.34Å; F221-I235 HydrophobicContact CE1-CD1 3.43Å; F221-I235 VanDerWaalsContact CE1-CD1 3.43Å; F221-I235 HydrophobicContact CE1-CG1 3.52Å; F221-I235 HydrophobicContact CE2-CD1 3.99Å; F221-I235 HydrophobicContact CE2-CG1 4.07Å; F221-I235 HydrophobicContact CE2-CG2 4.25Å; F221-I235 HydrophobicContact CG-CG1 4.24Å; F221-I235 HydrophobicContact CZ-CD1 3.29Å; F221-I235 HydrophobicContact CZ-CG1 3.68Å; F221-T286 HydrophobicContact CD1-CG2 3.83Å; F221-T286 HydrophobicContact CD2-CG2 4.07Å; F221-T286 HydrophobicContact CE1-CG2 3.76Å; F221-T286 HydrophobicContact CE2-CG2 4.02Å; F221-T286 HydrophobicContact CG-CG2 3.97Å; F221-T286 HydrophobicContact CZ-CG2 3.84Å; F221-I380 HydrophobicContact CB-CG2 4.3Å; F221-T385 PolarHBondContact N-O 2.83Å; F221-T385 PolarHBondContact O-N 3.28Å; F221-F387 HydrophobicContact CD2-CD2 4.16Å; F221-F387 AromaticContact CD2-CE2 3.73Å; F221-F387 HydrophobicContact CD2-CE2 3.73Å; F221-F387 HydrophobicContact CE2-CE2 4.29Å
222W96.5Very high91.6Very high31 Ų3160.4 Ų60.412%0.11732%0.316CS..EExtended strand (participates in β ladder)trans-117.4127.2158.7170.981.9000107.5N224 I231 G233 E234 H244 Y384 K400W222-N224 HydrophobicContact CH2-CB 3.55Å; W222-N224 HydrophobicContact CZ2-CB 3.94Å; W222-N224 HydrophobicContact CZ3-CB 3.98Å; W222-I231 HydrophobicContact CZ3-CG2 4.32Å; W222-G233 CarbonylContact O-C 3.45Å; W222-G233 WeakPolarHBondContact O-CA 3.47Å; W222-E234 HydrophobicContact CE3-CB 4.19Å; W222-E234 PolarHBondContact N-O 3.43Å; W222-E234 PolarHBondContact O-N 3.23Å; W222-H244 HydrophobicContact CB-CB 3.87Å; W222-H244 AromaticContact CD1-CG 3.96Å; W222-H244 AromaticContact CD1-ND1 3.81Å; W222-H244 HydrophobicContact CD2-CB 4.35Å; W222-H244 AromaticContact CD2-CE1 3.57Å; W222-H244 AromaticContact CD2-CG 3.79Å; W222-H244 AromaticContact CD2-ND1 3.26Å; W222-H244 VanDerWaalsContact CD2-ND1 3.26Å; W222-H244 AromaticContact CE2-CE1 3.86Å; W222-H244 AromaticContact CE2-ND1 3.38Å; W222-H244 AromaticContact CE3-CE1 3.4Å; W222-H244 AromaticContact CE3-ND1 3.62Å; W222-H244 AromaticContact CE3-NE2 3.87Å; W222-H244 HydrophobicContact CG-CB 3.71Å; W222-H244 AromaticContact CG-CG 3.64Å; W222-H244 AromaticContact CG-ND1 3.59Å; W222-H244 AromaticContact CH2-CE1 3.89Å; W222-H244 AromaticContact CZ2-ND1 3.87Å; W222-H244 AromaticContact CZ3-CE1 3.57Å; W222-H244 AromaticContact NE1-ND1 3.68Å; W222-Y384 HydrophobicContact CB-CD2 3.87Å; W222-Y384 HydrophobicContact CB-CE2 4.01Å; W222-K400 PolarHBondContact NE1-O 2.95Å
223L94.1Very high91.4Very high3 Ų351.4 Ų51.42%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-111.9125.1174.3-53176.1000108.9L25 Y80 F221 R225 G232 D377 I380L25-L223 HydrophobicContact CD1-CD2 3.9Å; Y80-L223 HydrophobicContact CD1-CD2 4.13Å; Y80-L223 HydrophobicContact CD2-CD1 4.18Å; Y80-L223 HydrophobicContact CD2-CD2 3.95Å; Y80-L223 HydrophobicContact CE1-CB 4.5Å; Y80-L223 HydrophobicContact CE1-CD2 4.31Å; Y80-L223 HydrophobicContact CE2-CD1 3.82Å; Y80-L223 HydrophobicContact CE2-CD2 4.15Å; Y80-L223 HydrophobicContact CE2-CG 4.41Å; Y80-L223 HydrophobicContact CG-CD2 3.94Å; F221-L223 HydrophobicContact CD1-CD2 4.22Å; L223-R225 PolarHBondContact O-N 2.88Å; L223-G232 CarbonylContact C-O 3.58Å; L223-G232 WeakPolarHBondContact CA-O 3.5Å; L223-D377 HydrophobicContact CD1-CB 4.26Å; L223-I380 HydrophobicContact CD1-CB 4.13Å; L223-I380 HydrophobicContact CD1-CG2 3.73Å; L223-I380 HydrophobicContact CG-CG2 4.1Å
224N90.3Very high91.4Very high29 Ų2949.4 Ų49.416%0.15527%0.266CS..  trans-73.1116.4177.5-170.8-0.6000110.3W222 D226 S229 I231 G232W222-N224 HydrophobicContact CH2-CB 3.55Å; W222-N224 HydrophobicContact CZ2-CB 3.94Å; W222-N224 HydrophobicContact CZ3-CB 3.98Å; N224-D226 VanDerWaalsContact C-N 3.27Å; N224-D226 PolarHBondContact O-N 3.19Å; N224-D226 WeakPolarHBondContact OD1-CB 3.06Å; N224-D226 PolarHBondContact OD1-N 3.39Å; N224-S229 WeakPolarHBondContact ND2-CB 2.93Å; N224-S229 PolarHBondContact ND2-OG 3.18Å; N224-I231 VanDerWaalsContact CB-O 3.3Å; N224-I231 WeakPolarHBondContact CB-O 3.42Å; N224-I231 PolarHBondContact ND2-O 2.97Å; N224-G232 PolarHBondContact N-O 2.73Å
225R85.9Confident91.4Very high89 Ų8948 Ų4834%0.33626%0.259SS..  trans-74.5-16.8178.3-68.1-67.6-61.8-169.2-7.1113.3L223 T227 A343 G381L223-R225 PolarHBondContact O-N 2.88Å; R225-T227 PolarHBondContact O-N 2.92Å; R225-A343 PolarHBondContact NH2-O 3.11Å; R225-G381 WeakPolarHBondContact CD-O 3.38Å; R225-G381 WeakPolarHBondContact CG-O 3.35Å
226D84.4Confident91.5Very high77 Ų7742.6 Ų42.641%0.41223%0.226SC..  trans-65.9101.9173.5-178.35.2000110.8N224 S228 S229N224-D226 VanDerWaalsContact C-N 3.27Å; N224-D226 PolarHBondContact O-N 3.19Å; N224-D226 WeakPolarHBondContact OD1-CB 3.06Å; N224-D226 PolarHBondContact OD1-N 3.39Å; D226-S228 VanDerWaalsContact CG-OG 3.29Å; D226-S228 PolarHBondContact O-N 3.24Å; D226-S228 WeakPolarHBondContact OD1-CB 3.47Å; D226-S228 PolarHBondContact OD1-N 2.95Å; D226-S228 PolarHBondContact OD1-OG 3.42Å; D226-S228 PolarHBondContact OD2-OG 2.81Å; D226-S229 PolarHBondContact O-N 3.08Å
227T78.1Confident91.6Very high112 Ų11238.3 Ų38.369%0.68721%0.206SC*.THydrogen-bonded Turntrans-64.3-15.8178.159.60000114.2R27 R225R27-T227 VanDerWaalsContact NH1-CG2 3.3Å; R225-T227 PolarHBondContact O-N 2.92Å
228S78.1Confident91.5Very high100 Ų10036.3 Ų36.370%0.69919%0.194SC*.THydrogen-bonded Turntrans-87.5-15.1179.175.80000113.3D226D226-S228 VanDerWaalsContact CG-OG 3.29Å; D226-S228 PolarHBondContact O-N 3.24Å; D226-S228 WeakPolarHBondContact OD1-CB 3.47Å; D226-S228 PolarHBondContact OD1-N 2.95Å; D226-S228 PolarHBondContact OD1-OG 3.42Å; D226-S228 PolarHBondContact OD2-OG 2.81Å
229S84.9Confident91.4Very high36 Ų3636 Ų3625%0.25219%0.192SC..  trans-80138.3178.9-174.60000112.1N224 D226 I231N224-S229 WeakPolarHBondContact ND2-CB 2.93Å; N224-S229 PolarHBondContact ND2-OG 3.18Å; D226-S229 PolarHBondContact O-N 3.08Å; S229-I231 VanDerWaalsContact C-N 3.27Å; S229-I231 PolarHBondContact OG-N 3.34Å; S229-I231 VanDerWaalsContact OG-N 3.16Å; S229-I231 PolarHBondContact OG-O 3.08Å
230E81.5Confident91.4Very high162 Ų16237.9 Ų37.976%0.75720%0.202SC*.SBendtrans-69.2-29.2168.5-67.3-169.5165.100111.9R27 G232R27-E230 PolarHBondContact N-O 2.83Å; E230-G232 PolarHBondContact O-N 3.48Å
231I89.6Confident91.3Very high81 Ų8138 Ų3842%0.41520%0.203SC..EExtended strand (participates in β ladder)trans-78.3106.2174.1-61.7175.8000107.4T24 W222 N224 S229T24-I231 HydrophobicContact CG2-CG1 4.3Å; T24-I231 HydrophobicContact CG2-CG2 4.03Å; W222-I231 HydrophobicContact CZ3-CG2 4.32Å; N224-I231 VanDerWaalsContact CB-O 3.3Å; N224-I231 WeakPolarHBondContact CB-O 3.42Å; N224-I231 PolarHBondContact ND2-O 2.97Å; S229-I231 VanDerWaalsContact C-N 3.27Å; S229-I231 PolarHBondContact OG-N 3.34Å; S229-I231 VanDerWaalsContact OG-N 3.16Å; S229-I231 PolarHBondContact OG-O 3.08Å
232G90.4Very high91.2Very high0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-83.4-18.9178.500000114.2L25 Y80 L223 N224 E230L25-G232 WeakPolarHBondContact O-CA 3.45Å; L25-G232 PolarHBondContact O-N 3.33Å; Y80-G232 WeakPolarHBondContact CD1-O 3.34Å; Y80-G232 WeakPolarHBondContact CE1-O 3.39Å; L223-G232 CarbonylContact C-O 3.58Å; L223-G232 WeakPolarHBondContact CA-O 3.5Å; N224-G232 PolarHBondContact N-O 2.73Å; E230-G232 PolarHBondContact O-N 3.48Å
233G94.2Very high91.2Very high1 Ų142.8 Ų42.81%0.0124%0.241CC..EExtended strand (participates in β ladder)trans164.3-165.1-178.800000113.3L25 W222L25-G233 PolarHBondContact N-O 3.29Å; L25-G233 PolarHBondContact O-N 2.84Å; L25-G233 VanDerWaalsContact O-N 3.1Å; W222-G233 CarbonylContact O-C 3.45Å; W222-G233 WeakPolarHBondContact O-CA 3.47Å
234E95.5Very high91.3Very high25 Ų2544.2 Ų44.212%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-146142.2176.3-177.5168.9105.900110.2K22 V23 F221 W222 T236 H244K22-E234 HydrophobicContact CB-CG 4.26Å; K22-E234 VanDerWaalsContact CD-OE1 3.22Å; K22-E234 WeakPolarHBondContact CD-OE1 3.47Å; K22-E234 VanDerWaalsContact CE-OE1 3.3Å; K22-E234 WeakPolarHBondContact CE-OE1 3.49Å; K22-E234 WeakPolarHBondContact CG-OE1 3.37Å; K22-E234 IonicContact NZ-OE1 3.79Å; K22-E234 PolarHBondContact NZ-OE1 3.11Å; V23-E234 CarbonylContact O-C 3.55Å; V23-E234 WeakPolarHBondContact O-CA 3.49Å; F221-E234 WeakPolarHBondContact CA-O 3.29Å; W222-E234 HydrophobicContact CE3-CB 4.19Å; W222-E234 PolarHBondContact N-O 3.43Å; W222-E234 PolarHBondContact O-N 3.23Å; E234-T236 PolarHBondContact OE1-OG1 3.34Å; E234-H244 IonicContact OE1-CD2 2.75Å; E234-H244 IonicContact OE1-NE2 3.67Å
235I96.5Very high91.6Very high0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-106.9126160.6-54.5176.3000108.4K22 V23 L25 F97 S220 F221 F237K22-I235 CarbonylContact C-O 3.51Å; K22-I235 WeakPolarHBondContact CA-O 3.03Å; V23-I235 HydrophobicContact CB-CB 4.39Å; V23-I235 PolarHBondContact N-O 3.23Å; V23-I235 PolarHBondContact O-N 3.09Å; L25-I235 HydrophobicContact CD1-CD1 4.23Å; L25-I235 HydrophobicContact CD1-CG1 3.74Å; L25-I235 HydrophobicContact CD2-CD1 3.81Å; L25-I235 HydrophobicContact CD2-CG1 3.93Å; L25-I235 HydrophobicContact CG-CD1 4.36Å; L25-I235 HydrophobicContact CG-CG1 3.95Å; F97-I235 HydrophobicContact CB-CD1 3.35Å; F97-I235 HydrophobicContact CD1-CD1 3.62Å; F97-I235 HydrophobicContact CD2-CD1 3.38Å; F97-I235 HydrophobicContact CE1-CD1 4.21Å; F97-I235 HydrophobicContact CE2-CD1 4.02Å; F97-I235 HydrophobicContact CG-CD1 3.15Å; F97-I235 HydrophobicContact CZ-CD1 4.39Å; S220-I235 CarbonylContact O-C 3.57Å; S220-I235 VanDerWaalsContact O-CA 3.26Å; S220-I235 WeakPolarHBondContact O-CA 3.41Å; F221-I235 HydrophobicContact CD1-CD1 4.24Å; F221-I235 HydrophobicContact CD1-CG1 3.81Å; F221-I235 HydrophobicContact CD2-CG1 4.34Å; F221-I235 HydrophobicContact CE1-CD1 3.43Å; F221-I235 VanDerWaalsContact CE1-CD1 3.43Å; F221-I235 HydrophobicContact CE1-CG1 3.52Å; F221-I235 HydrophobicContact CE2-CD1 3.99Å; F221-I235 HydrophobicContact CE2-CG1 4.07Å; F221-I235 HydrophobicContact CE2-CG2 4.25Å; F221-I235 HydrophobicContact CG-CG1 4.24Å; F221-I235 HydrophobicContact CZ-CD1 3.29Å; F221-I235 HydrophobicContact CZ-CG1 3.68Å; I235-F237 HydrophobicContact CB-CE2 3.98Å; I235-F237 HydrophobicContact CG2-CD2 3.88Å; I235-F237 HydrophobicContact CG2-CE2 3.36Å; I235-F237 HydrophobicContact CG2-CZ 3.73Å
236T97Very high92.1Very high2 Ų245.6 Ų45.61%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-101.6126.7170-71.50000109.6H20 F219 S220 E234H20-T236 HydrophobicContact CB-CG2 3.69Å; F219-T236 CarbonylContact C-O 3.56Å; F219-T236 WeakPolarHBondContact CA-O 3.43Å; F219-T236 WeakPolarHBondContact CB-O 3.34Å; S220-T236 PolarHBondContact N-O 2.98Å; S220-T236 PolarHBondContact O-N 2.86Å; E234-T236 PolarHBondContact OE1-OG1 3.34Å
237F97.3Very high92.6Very high3 Ų344.5 Ų44.51%0.01326%0.263CS..EExtended strand (participates in β ladder)trans-104.9136.4173.8-69.1-94.4000110.3S21 V23 F97 V159 A160 I162 M191 F205 M208 L214 F219 I235S21-F237 PolarHBondContact N-O 3.17Å; S21-F237 VanDerWaalsContact N-O 3.16Å; S21-F237 PolarHBondContact O-N 3.05Å; V23-F237 HydrophobicContact CG2-CD2 4.3Å; V23-F237 HydrophobicContact CG2-CE2 3.79Å; F97-F237 HydrophobicContact CD1-CZ 4.21Å; F97-F237 HydrophobicContact CE1-CE2 4.4Å; F97-F237 AromaticContact CE1-CZ 3.93Å; F97-F237 HydrophobicContact CE1-CZ 3.93Å; V159-F237 HydrophobicContact CG1-CD1 4.38Å; V159-F237 HydrophobicContact CG1-CD2 3.81Å; V159-F237 HydrophobicContact CG1-CE1 3.97Å; V159-F237 HydrophobicContact CG1-CE2 3.35Å; V159-F237 HydrophobicContact CG1-CG 4.31Å; V159-F237 HydrophobicContact CG1-CZ 3.46Å; V159-F237 VanDerWaalsContact CG1-CZ 3.46Å; A160-F237 HydrophobicContact CB-CD2 4.36Å; I162-F237 HydrophobicContact CD1-CB 3.84Å; M191-F237 HydrophobicContact CE-CE1 3.7Å; M191-F237 HydrophobicContact CE-CZ 4.07Å; F205-F237 AromaticContact CD2-CD1 3.9Å; F205-F237 HydrophobicContact CD2-CD1 3.9Å; F205-F237 HydrophobicContact CD2-CE1 4.05Å; F205-F237 AromaticContact CE2-CD1 3.96Å; F205-F237 HydrophobicContact CE2-CD1 3.96Å; M208-F237 HydrophobicContact CE-CD1 4.38Å; M208-F237 HydrophobicContact CE-CE1 4.33Å; M208-F237 HydrophobicContact SD-CD1 3.9Å; M208-F237 HydrophobicContact SD-CE1 4.2Å; L214-F237 HydrophobicContact CD2-CB 4.13Å; F219-F237 HydrophobicContact CB-CD1 4.21Å; F219-F237 HydrophobicContact CB-CE1 4.46Å; I235-F237 HydrophobicContact CB-CE2 3.98Å; I235-F237 HydrophobicContact CG2-CD2 3.88Å; I235-F237 HydrophobicContact CG2-CE2 3.36Å; I235-F237 HydrophobicContact CG2-CZ 3.73Å
238G96.6Very high93.4Very high2 Ų245.6 Ų45.62%0.02126%0.264CS..SBendtrans86.318.3175.500000114.4H20 E216 V218H20-G238 PolarHBondContact CE1-O 2.79Å; H20-G238 PolarHBondContact ND1-O 3.12Å; E216-G238 PolarHBondContact N-O 2.8Å; E216-G238 WeakPolarHBondContact O-CA 3.45Å; V218-G238 WeakPolarHBondContact O-CA 3.08Å; V218-G238 PolarHBondContact O-N 3.19Å
239G95.7Very high94.4Very high0 Ų041.9 Ų41.90%024%0.237CC..SBendtrans159.4-155.5-178.900000113.4V218 S220V218-G239 PolarHBondContact O-N 2.8Å; S220-G239 PolarHBondContact OG-O 3.21Å; S220-G239 VanDerWaalsContact OG-O 3.11Å
240L96.7Very high95Very high38 Ų3841.3 Ų41.320%0.19923%0.233CC..  trans-124.5146.7-177.4-59.6160.3000108.8V218 Y245 V249 W251 Y384 A386V218-L240 HydrophobicContact CG1-CD2 4.43Å; L240-Y245 HydrophobicContact CB-CE1 4.21Å; L240-V249 HydrophobicContact CD1-CG2 4.49Å; L240-W251 HydrophobicContact CD1-CZ2 4.31Å; L240-Y384 HydrophobicContact CD2-CE1 3.84Å; L240-A386 HydrophobicContact CD2-CB 3.36Å
241D95.8Very high95.8Very high4 Ų436.8 Ų36.82%0.02121%0.209CC..  trans-102.9101.2171.2-174.5-2.9000111.1K22 S243 H244 Y245 Y384K22-D241 VanDerWaalsContact NZ-CG 3.33Å; K22-D241 IonicContact NZ-OD1 3.43Å; K22-D241 IonicContact NZ-OD2 3.02Å; K22-D241 PolarHBondContact NZ-OD2 3.16Å; D241-S243 PolarHBondContact O-N 3.07Å; D241-S243 VanDerWaalsContact O-N 3.13Å; D241-S243 VanDerWaalsContact OD1-CB 3.26Å; D241-S243 WeakPolarHBondContact OD1-CB 3.37Å; D241-S243 PolarHBondContact OD1-N 3.15Å; D241-S243 PolarHBondContact OD1-OG 2.9Å; D241-S243 PolarHBondContact OD2-OG 3.4Å; D241-H244 PolarHBondContact O-N 2.91Å; D241-H244 IonicContact OD2-CD2 2.87Å; D241-H244 PolarHBondContact OD2-CD2 2.82Å; D241-H244 IonicContact OD2-NE2 3.6Å; D241-Y245 WeakPolarHBondContact O-CD1 3.31Å; D241-Y245 WeakPolarHBondContact O-CE1 3.4Å; D241-Y384 PolarHBondContact N-OH 2.95Å
242S95.7Very high96.3Very high66 Ų6633.3 Ų33.346%0.46219%0.192SC..G310 helixtrans-63.5-14.6178.869.10000114.5H244 Y245 K400S242-H244 VanDerWaalsContact C-N 3.25Å; S242-H244 PolarHBondContact O-N 2.77Å; S242-Y245 VanDerWaalsContact CA-CE1 3.44Å; S242-K400 PolarHBondContact O-NZ 3.19Å
243S96.1Very high96.6Very high68 Ų6837.5 Ų37.548%0.47622%0.219SC..G310 helixtrans-72.4-19.7173.876.40000113D241 K400D241-S243 PolarHBondContact O-N 3.07Å; D241-S243 VanDerWaalsContact O-N 3.13Å; D241-S243 VanDerWaalsContact OD1-CB 3.26Å; D241-S243 WeakPolarHBondContact OD1-CB 3.37Å; D241-S243 PolarHBondContact OD1-N 3.15Å; D241-S243 PolarHBondContact OD1-OG 2.9Å; D241-S243 PolarHBondContact OD2-OG 3.4Å; S243-K400 WeakPolarHBondContact O-CD 3.4Å
244H96.4Very high96.8Very high33 Ų3338.3 Ų38.315%0.15322%0.224CC..G310 helixtrans-1030.2-175.2-78.6-52.6000115.2W222 E234 D241 S242 Y384 K400W222-H244 HydrophobicContact CB-CB 3.87Å; W222-H244 AromaticContact CD1-CG 3.96Å; W222-H244 AromaticContact CD1-ND1 3.81Å; W222-H244 HydrophobicContact CD2-CB 4.35Å; W222-H244 AromaticContact CD2-CE1 3.57Å; W222-H244 AromaticContact CD2-CG 3.79Å; W222-H244 AromaticContact CD2-ND1 3.26Å; W222-H244 VanDerWaalsContact CD2-ND1 3.26Å; W222-H244 AromaticContact CE2-CE1 3.86Å; W222-H244 AromaticContact CE2-ND1 3.38Å; W222-H244 AromaticContact CE3-CE1 3.4Å; W222-H244 AromaticContact CE3-ND1 3.62Å; W222-H244 AromaticContact CE3-NE2 3.87Å; W222-H244 HydrophobicContact CG-CB 3.71Å; W222-H244 AromaticContact CG-CG 3.64Å; W222-H244 AromaticContact CG-ND1 3.59Å; W222-H244 AromaticContact CH2-CE1 3.89Å; W222-H244 AromaticContact CZ2-ND1 3.87Å; W222-H244 AromaticContact CZ3-CE1 3.57Å; W222-H244 AromaticContact NE1-ND1 3.68Å; E234-H244 IonicContact OE1-CD2 2.75Å; E234-H244 IonicContact OE1-NE2 3.67Å; D241-H244 PolarHBondContact O-N 2.91Å; D241-H244 IonicContact OD2-CD2 2.87Å; D241-H244 PolarHBondContact OD2-CD2 2.82Å; D241-H244 IonicContact OD2-NE2 3.6Å; S242-H244 VanDerWaalsContact C-N 3.25Å; S242-H244 PolarHBondContact O-N 2.77Å; H244-Y384 HydrophobicContact CB-CD2 3.84Å; H244-Y384 HydrophobicContact CB-CE2 3.75Å; H244-K400 PolarHBondContact O-N 3.18Å
245Y97.5Very high96.8Very high39 Ų3939.6 Ų39.615%0.15323%0.234CC..EExtended strand (participates in β ladder)trans-143.2162.1175.270.5-92.4000113.2L240 D241 S242 G247 V249 Y384 A397 T398 K400L240-Y245 HydrophobicContact CB-CE1 4.21Å; D241-Y245 WeakPolarHBondContact O-CD1 3.31Å; D241-Y245 WeakPolarHBondContact O-CE1 3.4Å; S242-Y245 VanDerWaalsContact CA-CE1 3.44Å; Y245-G247 WeakPolarHBondContact CE2-O 3.3Å; Y245-V249 HydrophobicContact CD2-CG2 4.37Å; Y245-V249 HydrophobicContact CE2-CG2 3.88Å; Y245-Y384 AromaticContact CD1-CD1 3.92Å; Y245-Y384 HydrophobicContact CD1-CD1 3.92Å; Y245-Y384 HydrophobicContact CD1-CD2 4.06Å; Y245-Y384 HydrophobicContact CD1-CE1 4.01Å; Y245-Y384 HydrophobicContact CD1-CE2 4.13Å; Y245-Y384 AromaticContact CD1-CG 3.95Å; Y245-Y384 HydrophobicContact CD1-CG 3.95Å; Y245-Y384 HydrophobicContact CE1-CE1 4.36Å; Y245-Y384 HydrophobicContact CG-CD1 4.38Å; Y245-Y384 HydrophobicContact CG-CG 4.22Å; Y245-A397 HydrophobicContact CD2-CB 3.67Å; Y245-A397 HydrophobicContact CG-CB 3.96Å; Y245-T398 CarbonylContact C-O 3.39Å; Y245-T398 WeakPolarHBondContact CA-O 3.48Å; Y245-T398 WeakPolarHBondContact CB-O 2.76Å; Y245-K400 WeakPolarHBondContact O-CD 3.31Å; Y245-K400 WeakPolarHBondContact O-CE 3.44Å; Y245-K400 PolarHBondContact O-NZ 2.67Å
246E96.7Very high96.5Very high108 Ų10844.8 Ų44.851%0.50525%0.253SS..EExtended strand (participates in β ladder)trans-12315417462176.4-158.100112.7T398 K400E246-T398 HydrophobicContact CG-CG2 4.01Å; E246-T398 PolarHBondContact N-O 2.93Å; E246-K400 HydrophobicContact CB-CG 4.41Å
247G95Very high96.2Very high55 Ų5549.9 Ų49.957%0.56728%0.277SS*.EExtended strand (participates in β ladder)trans68-165-175.300000113.5Y245Y245-G247 WeakPolarHBondContact CE2-O 3.3Å
248D95.2Very high95.8Very high134 Ų13452.3 Ų52.372%0.71729%0.286SS*.EExtended strand (participates in β ladder)trans-87.8140.7-178.5-62.9-41.8000112.3S250 R335D248-S250 PolarHBondContact O-N 2.86Å; D248-R335 PolarHBondContact O-NH1 3.23Å
249V98Very high95.5Very high22 Ų2252.4 Ų52.413%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-70.3119.8171-176.20000109.4L240 Y245 W251 A397L240-V249 HydrophobicContact CD1-CG2 4.49Å; Y245-V249 HydrophobicContact CD2-CG2 4.37Å; Y245-V249 HydrophobicContact CE2-CG2 3.88Å; V249-W251 HydrophobicContact CB-CZ2 4.41Å; V249-W251 HydrophobicContact CG1-CD2 4.04Å; V249-W251 HydrophobicContact CG1-CG 4.48Å; V249-W251 HydrophobicContact CG1-CH2 4.35Å; V249-W251 HydrophobicContact CG1-CZ2 3.76Å; V249-A397 HydrophobicContact CG2-CB 4.11Å
250S98.2Very high95.6Very high24 Ų2452.4 Ų52.417%0.16829%0.286CS..EExtended strand (participates in β ladder)trans-92.2116176.3-52.70000109.3D248 R335 G395 F396D248-S250 PolarHBondContact O-N 2.86Å; S250-R335 WeakPolarHBondContact OG-CD 3.31Å; S250-R335 PolarHBondContact OG-NH1 3.46Å; S250-G395 WeakPolarHBondContact O-CA 3.39Å; S250-F396 PolarHBondContact N-O 3.2Å; S250-F396 PolarHBondContact O-N 3.05Å
251W98.4Very high95.5Very high67 Ų6751.1 Ų51.125%0.25428%0.279SS..EExtended strand (participates in β ladder)trans-96.4139.6-174.3-64.896.5000112.3L240 V249 A386 D388 R393 V394L240-W251 HydrophobicContact CD1-CZ2 4.31Å; V249-W251 HydrophobicContact CB-CZ2 4.41Å; V249-W251 HydrophobicContact CG1-CD2 4.04Å; V249-W251 HydrophobicContact CG1-CG 4.48Å; V249-W251 HydrophobicContact CG1-CH2 4.35Å; V249-W251 HydrophobicContact CG1-CZ2 3.76Å; W251-A386 HydrophobicContact CH2-CB 3.6Å; W251-A386 HydrophobicContact CZ2-CB 4.48Å; W251-A386 HydrophobicContact CZ3-CB 3.95Å; W251-D388 HydrophobicContact CE3-CB 4.45Å; W251-D388 HydrophobicContact CH2-CB 3.99Å; W251-D388 HydrophobicContact CZ3-CB 3.62Å; W251-R393 HydrophobicContact CD2-CG 4.29Å; W251-R393 HydrophobicContact CE3-CB 4.27Å; W251-R393 HydrophobicContact CE3-CG 3.56Å; W251-R393 HydrophobicContact CZ3-CG 4.05Å; W251-V394 CarbonylContact C-O 3.58Å; W251-V394 WeakPolarHBondContact CA-O 3.19Å
252V98.6Very high95.6Very high8 Ų851 Ų515%0.04828%0.278CS..EExtended strand (participates in β ladder)trans-128.6132.4174.263.90000109.8F262 I332 A333 R393 V394 F396V252-F262 HydrophobicContact CB-CB 4.36Å; V252-F262 HydrophobicContact CG1-CB 3.65Å; V252-F262 HydrophobicContact CG1-CD1 4.21Å; V252-F262 HydrophobicContact CG1-CD2 3.68Å; V252-F262 HydrophobicContact CG1-CE2 4.38Å; V252-F262 HydrophobicContact CG1-CG 3.57Å; V252-F262 HydrophobicContact CG2-CB 3.81Å; V252-F262 HydrophobicContact CG2-CD2 4.18Å; V252-F262 HydrophobicContact CG2-CG 4.33Å; V252-I332 HydrophobicContact CB-CG2 4.08Å; V252-I332 HydrophobicContact CG1-CG2 3.95Å; V252-I332 HydrophobicContact CG2-CG2 4.29Å; V252-A333 HydrophobicContact CB-CB 4.26Å; V252-R393 CarbonylContact O-C 3.51Å; V252-R393 VanDerWaalsContact O-CA 3.24Å; V252-R393 WeakPolarHBondContact O-CA 3.41Å; V252-R393 VanDerWaalsContact O-CB 3.25Å; V252-R393 WeakPolarHBondContact O-CB 3.2Å; V252-V394 HydrophobicContact CG1-CB 4.21Å; V252-V394 PolarHBondContact N-O 2.98Å; V252-V394 PolarHBondContact O-N 2.93Å; V252-F396 HydrophobicContact CG1-CE2 3.94Å
253P98.4Very high95.7Very high89 Ų8952.2 Ų52.258%0.57828%0.279SS*.EExtended strand (participates in β ladder)trans-67145.2-179.628.3-35.2000111.7T255P253-T255 PolarHBondContact O-N 2.86Å
254V98.1Very high95.8Very high17 Ų1749 Ų4910%0.10326%0.257CS..EExtended strand (participates in β ladder)trans-72124.5170.5168.80000109Y193 R256 Q257 W260 E261 N392 V394Y193-V254 HydrophobicContact CE2-CG1 4.05Å; V254-R256 WeakPolarHBondContact CG1-O 3.08Å; V254-Q257 HydrophobicContact CG1-CG 4.47Å; V254-W260 HydrophobicContact CG2-CE3 3.92Å; V254-W260 HydrophobicContact CG2-CZ3 4.43Å; V254-E261 CarbonylContact C-O 3.58Å; V254-E261 WeakPolarHBondContact CA-O 3.34Å; V254-N392 HydrophobicContact CB-CB 4.49Å; V254-N392 WeakPolarHBondContact CB-O 3.37Å; V254-N392 PolarHBondContact N-O 3.23Å; V254-V394 HydrophobicContact CG2-CG2 4Å
255T94.9Very high95.8Very high53 Ų5350 Ų5033%0.32527%0.267SS..EExtended strand (participates in β ladder)trans-80.4-31.3-177.456.40000112.1P253 E261 D263P253-T255 PolarHBondContact O-N 2.86Å; T255-E261 PolarHBondContact N-O 2.76Å; T255-E261 WeakPolarHBondContact OG1-CG 3.38Å; T255-E261 PolarHBondContact OG1-O 2.93Å; T255-E261 PolarHBondContact OG1-OE1 3.49Å; T255-D263 HydrophobicContact CG2-CB 4.47Å; T255-D263 WeakPolarHBondContact CG2-OD1 3.48Å
256R90.1Very high95.8Very high109 Ų10948.1 Ų48.141%0.41126%0.26SS..EExtended strand (participates in β ladder)trans-142.6116.2179.2-63.3-176.8-177-142.1-4.3110.3K63 V254 R258 Y259 E261K63-R256 VanDerWaalsContact CD-NH1 3.32Å; V254-R256 WeakPolarHBondContact CG1-O 3.08Å; R256-R258 PolarHBondContact O-N 3.07Å; R256-Y259 PolarHBondContact O-N 2.82Å; R256-E261 WeakPolarHBondContact CD-OE1 3.26Å; R256-E261 IonicContact NE-OE1 3.81Å
257Q91.9Very high95.8Very high109 Ų10943 Ų4351%0.50924%0.236SC..EExtended strand (participates in β ladder)trans-72.753.2177.1-62.2177.615.800112.7Y193 S195 V254 N392Y193-Q257 WeakPolarHBondContact CB-O 3.44Å; Y193-Q257 HydrophobicContact CD1-CB 3.69Å; Y193-Q257 HydrophobicContact CD1-CG 4.23Å; Y193-Q257 HydrophobicContact CE1-CB 3.76Å; Y193-Q257 HydrophobicContact CE1-CG 3.77Å; Y193-Q257 HydrophobicContact CG-CB 4.12Å; S195-Q257 PolarHBondContact OG-O 3.15Å; V254-Q257 HydrophobicContact CG1-CG 4.47Å; Q257-N392 PolarHBondContact NE2-ND2 2.78Å; Q257-N392 PolarHBondContact NE2-OD1 3.34Å
258R87.3Confident95.9Very high54 Ų5441.6 Ų41.620%0.20421%0.214CC..THydrogen-bonded Turntrans-117.5-51.9170.1-73.2180175.5-160.9-10.3108.3A62 Q64 I68 S195 I196 R256A62-R258 PolarHBondContact O-NH1 2.99Å; Q64-R258 PolarHBondContact O-NH1 2.91Å; Q64-R258 PolarHBondContact O-NH2 3.29Å; I68-R258 VanDerWaalsContact CD1-CD 3.49Å; I68-R258 HydrophobicContact CD1-CG 4.16Å; I68-R258 VanDerWaalsContact CD1-NE 3.28Å; S195-R258 WeakPolarHBondContact OG-CA 3.39Å; S195-R258 WeakPolarHBondContact OG-CG 3.03Å; I196-R258 HydrophobicContact CG2-CB 3.77Å; I196-R258 HydrophobicContact CG2-CG 4.2Å; R256-R258 PolarHBondContact O-N 3.07Å
259Y91.2Very high96Very high4 Ų435.2 Ų35.22%0.01618%0.18CC..THydrogen-bonded Turntrans-121.5173.9173.2-58.9-73.9000109.5K58 Y59 A62 Y193 I196 R256 E261 I283K58-Y259 VanDerWaalsContact CE-OH 3.25Å; K58-Y259 WeakPolarHBondContact CE-OH 3.35Å; K58-Y259 WeakPolarHBondContact CG-OH 3.22Å; Y59-Y259 HydrophobicContact CD1-CD2 4.33Å; Y59-Y259 AromaticContact CD1-CE2 3.87Å; Y59-Y259 HydrophobicContact CD1-CE2 3.87Å; Y59-Y259 AromaticContact CE1-CD2 3.92Å; Y59-Y259 HydrophobicContact CE1-CD2 3.92Å; Y59-Y259 HydrophobicContact CE1-CE1 4.29Å; Y59-Y259 AromaticContact CE1-CE2 3.65Å; Y59-Y259 HydrophobicContact CE1-CE2 3.65Å; Y59-Y259 HydrophobicContact CE1-CG 4.35Å; Y59-Y259 AromaticContact CE1-CZ 3.86Å; A62-Y259 HydrophobicContact CB-CE2 3.74Å; Y193-Y259 WeakPolarHBondContact CE2-O 3.49Å; I196-Y259 HydrophobicContact CD1-CD1 3.9Å; I196-Y259 HydrophobicContact CD1-CE1 3.54Å; R256-Y259 PolarHBondContact O-N 2.82Å; Y259-E261 PolarHBondContact O-N 2.79Å; Y259-I283 HydrophobicContact CD2-CD1 4.05Å; Y259-I283 HydrophobicContact CG-CD1 4Å
260W96.6Very high95.6Very high0 Ų038.8 Ų38.80%020%0.198CC..EExtended strand (participates in β ladder)trans-75.756.7167-59.5100000110.4M191 Y193 F219 V254 F262 I283 A284 F387 M389 V394M191-W260 PolarHBondContact O-NE1 3.16Å; Y193-W260 AromaticContact CE2-CD2 3.95Å; Y193-W260 HydrophobicContact CE2-CD2 3.95Å; Y193-W260 AromaticContact CE2-CE3 3.86Å; Y193-W260 HydrophobicContact CE2-CE3 3.86Å; Y193-W260 HydrophobicContact CE2-CH2 4.38Å; Y193-W260 HydrophobicContact CE2-CZ2 4.44Å; Y193-W260 HydrophobicContact CE2-CZ3 4.09Å; Y193-W260 AromaticContact CZ-CZ3 3.98Å; F219-W260 HydrophobicContact CE1-CH2 4.1Å; F219-W260 AromaticContact CE1-CZ2 3.57Å; F219-W260 HydrophobicContact CE1-CZ2 3.57Å; F219-W260 AromaticContact CZ-CE2 3.98Å; F219-W260 HydrophobicContact CZ-CH2 4.42Å; F219-W260 AromaticContact CZ-CZ2 3.61Å; F219-W260 HydrophobicContact CZ-CZ2 3.61Å; V254-W260 HydrophobicContact CG2-CE3 3.92Å; V254-W260 HydrophobicContact CG2-CZ3 4.43Å; W260-F262 WeakPolarHBondContact O-CD1 3.47Å; W260-I283 WeakPolarHBondContact O-CA 3.49Å; W260-A284 PolarHBondContact O-N 3.05Å; W260-F387 HydrophobicContact CB-CD1 4.05Å; W260-F387 HydrophobicContact CB-CE1 3.94Å; W260-F387 AromaticContact CD1-CD1 3.92Å; W260-F387 AromaticContact CD1-CE1 3.99Å; W260-F387 HydrophobicContact CD2-CB 4.34Å; W260-F387 AromaticContact CD2-CD1 3.41Å; W260-F387 HydrophobicContact CD2-CD1 3.41Å; W260-F387 VanDerWaalsContact CD2-CD1 3.41Å; W260-F387 HydrophobicContact CD2-CE1 4.14Å; W260-F387 HydrophobicContact CD2-CG 4.31Å; W260-F387 AromaticContact CE2-CD1 3.72Å; W260-F387 HydrophobicContact CE3-CB 4.23Å; W260-F387 AromaticContact CE3-CD1 3.8Å; W260-F387 HydrophobicContact CE3-CD1 3.8Å; W260-F387 AromaticContact CG-CD1 3.52Å; W260-F387 HydrophobicContact CG-CD1 3.52Å; W260-F387 AromaticContact CG-CE1 3.73Å; W260-F387 HydrophobicContact CG-CE1 3.73Å; W260-F387 HydrophobicContact CH2-CB 3.78Å; W260-F387 HydrophobicContact CZ2-CB 3.91Å; W260-F387 HydrophobicContact CZ2-CD1 4.33Å; W260-F387 HydrophobicContact CZ3-CB 3.96Å; W260-F387 HydrophobicContact CZ3-CD1 4.39Å; W260-F387 AromaticContact NE1-CD1 3.99Å; W260-M389 HydrophobicContact CH2-CB 4Å; W260-M389 HydrophobicContact CH2-CE 3.48Å; W260-M389 VanDerWaalsContact CH2-CE 3.48Å; W260-M389 HydrophobicContact CH2-CG 4.33Å; W260-M389 HydrophobicContact CZ2-CE 3.28Å; W260-V394 HydrophobicContact CB-CG2 4.03Å; W260-V394 HydrophobicContact CE3-CG2 3.97Å
261E96.2Very high95.2Very high11 Ų1145.4 Ų45.45%0.05123%0.227CC..EExtended strand (participates in β ladder)trans-87132.2-177.4-170.8-177.6131.100109.9V254 T255 R256 Y259 T281 A282 I283V254-E261 CarbonylContact C-O 3.58Å; V254-E261 WeakPolarHBondContact CA-O 3.34Å; T255-E261 PolarHBondContact N-O 2.76Å; T255-E261 WeakPolarHBondContact OG1-CG 3.38Å; T255-E261 PolarHBondContact OG1-O 2.93Å; T255-E261 PolarHBondContact OG1-OE1 3.49Å; R256-E261 WeakPolarHBondContact CD-OE1 3.26Å; R256-E261 IonicContact NE-OE1 3.81Å; Y259-E261 PolarHBondContact O-N 2.79Å; E261-T281 HydrophobicContact CG-CG2 4.43Å; E261-A282 CarbonylContact C-O 3.55Å; E261-A282 VanDerWaalsContact CA-O 3.24Å; E261-A282 WeakPolarHBondContact CA-O 3.32Å; E261-I283 HydrophobicContact CB-CG1 3.94Å; E261-I283 HydrophobicContact CG-CG1 4.1Å
262F97.8Very high95Very high0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-144.216617957.6-90.9000111.2V252 W260 T281 A282 A284 I332 L375 V394 F396V252-F262 HydrophobicContact CB-CB 4.36Å; V252-F262 HydrophobicContact CG1-CB 3.65Å; V252-F262 HydrophobicContact CG1-CD1 4.21Å; V252-F262 HydrophobicContact CG1-CD2 3.68Å; V252-F262 HydrophobicContact CG1-CE2 4.38Å; V252-F262 HydrophobicContact CG1-CG 3.57Å; V252-F262 HydrophobicContact CG2-CB 3.81Å; V252-F262 HydrophobicContact CG2-CD2 4.18Å; V252-F262 HydrophobicContact CG2-CG 4.33Å; W260-F262 WeakPolarHBondContact O-CD1 3.47Å; F262-T281 CarbonylContact O-C 3.39Å; F262-T281 WeakPolarHBondContact O-CA 3.47Å; F262-A282 HydrophobicContact CD2-CB 4.34Å; F262-A282 HydrophobicContact CE1-CB 4.4Å; F262-A282 HydrophobicContact CE2-CB 3.77Å; F262-A282 HydrophobicContact CZ-CB 3.8Å; F262-A282 PolarHBondContact N-O 2.93Å; F262-A282 PolarHBondContact O-N 3.21Å; F262-A284 HydrophobicContact CE1-CB 4.14Å; F262-I332 HydrophobicContact CD2-CG2 3.94Å; F262-I332 HydrophobicContact CE2-CD1 3.81Å; F262-I332 HydrophobicContact CE2-CG1 4.03Å; F262-I332 HydrophobicContact CE2-CG2 3.75Å; F262-I332 HydrophobicContact CZ-CD1 4.23Å; F262-L375 HydrophobicContact CZ-CD1 3.85Å; F262-V394 HydrophobicContact CD1-CB 4.36Å; F262-V394 HydrophobicContact CD1-CG2 4.16Å; F262-F396 HydrophobicContact CE1-CE2 4.14Å; F262-F396 AromaticContact CE1-CZ 3.66Å; F262-F396 HydrophobicContact CE1-CZ 3.66Å; F262-F396 HydrophobicContact CE2-CE2 4.07Å; F262-F396 HydrophobicContact CE2-CZ 4.27Å; F262-F396 AromaticContact CZ-CE2 3.77Å; F262-F396 HydrophobicContact CZ-CE2 3.77Å; F262-F396 AromaticContact CZ-CZ 3.51Å; F262-F396 HydrophobicContact CZ-CZ 3.51Å
263D97.5Very high94.9Very high92 Ų9249.6 Ų49.649%0.49225%0.249SC..EExtended strand (participates in β ladder)trans-80.3134.5177-68.2-35.6000111.3T255T255-D263 HydrophobicContact CG2-CB 4.47Å; T255-D263 WeakPolarHBondContact CG2-OD1 3.48Å
264M97.8Very high94.7Very high2 Ų245.9 Ų45.91%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-119.1135171-177.2170.666.600108.2I267 C276 G279 C280 A282 L330 V331 I332 W373M264-I267 HydrophobicContact CE-CD1 3.85Å; M264-I267 HydrophobicContact CE-CG1 3.78Å; M264-I267 HydrophobicContact SD-CG1 4.29Å; M264-C276 HydrophobicContact CE-CB 4.5Å; M264-C276 PolarHBondContact O-SG 2.77Å; M264-G279 WeakPolarHBondContact O-CA 3.49Å; M264-C280 WeakPolarHBondContact CE-SG 3.35Å; M264-C280 PolarHBondContact N-O 2.77Å; M264-C280 PolarHBondContact O-N 2.8Å; M264-C280 VanDerWaalsContact O-O 3.11Å; M264-A282 HydrophobicContact CB-CB 4.2Å; M264-A282 HydrophobicContact CE-CB 4.42Å; M264-A282 HydrophobicContact SD-CB 4.49Å; M264-L330 HydrophobicContact SD-CB 3.95Å; M264-L330 HydrophobicContact SD-CD2 3.83Å; M264-L330 HydrophobicContact SD-CG 4.13Å; M264-V331 WeakPolarHBondContact CG-O 3.4Å; M264-I332 HydrophobicContact CB-CG1 4.47Å; M264-I332 HydrophobicContact CG-CG1 3.98Å; M264-I332 HydrophobicContact SD-CG1 4.27Å; M264-W373 HydrophobicContact CE-CB 4.01Å; M264-W373 HydrophobicContact CE-CD2 4.17Å; M264-W373 HydrophobicContact CE-CG 3.7Å
265S96.3Very high94.6Very high52 Ų5245 Ų4536%0.36422%0.22SC..EExtended strand (participates in β ladder)trans-92.5-13.6-171.4-57.80000113.4M273 C276 V331S265-M273 VanDerWaalsContact O-CE 3.24Å; S265-M273 WeakPolarHBondContact O-CE 3.5Å; S265-C276 CarbonylContact C-O 3.57Å; S265-C276 VanDerWaalsContact O-O 3.08Å; S265-V331 PolarHBondContact N-O 3.32Å
266G97Very high94.6Very high0 Ų042.5 Ų42.50%020%0.204CC..EExtended strand (participates in β ladder)trans172162.7-178.200000114.2M273 V331G266-M273 VanDerWaalsContact CA-CE 3.5Å; G266-V331 PolarHBondContact O-N 2.87Å
267I98.2Very high94.6Very high0 Ų042.8 Ų42.80%021%0.208CC..EExtended strand (participates in β ladder)trans-124.7121.9160-47.7-180000106.8M264 L274 A275 C276 I301 I328 S329 L330 W373M264-I267 HydrophobicContact CE-CD1 3.85Å; M264-I267 HydrophobicContact CE-CG1 3.78Å; M264-I267 HydrophobicContact SD-CG1 4.29Å; I267-L274 PolarHBondContact O-N 3.11Å; I267-A275 HydrophobicContact CB-CB 4.08Å; I267-A275 HydrophobicContact CD1-CB 4.23Å; I267-A275 HydrophobicContact CG1-CB 4.32Å; I267-A275 PolarHBondContact N-O 2.8Å; I267-A275 PolarHBondContact O-N 2.9Å; I267-C276 HydrophobicContact CG1-CB 4.47Å; I267-I301 HydrophobicContact CD1-CD1 4.32Å; I267-I301 HydrophobicContact CG2-CD1 4.15Å; I267-I328 HydrophobicContact CG2-CG2 3.59Å; I267-S329 CarbonylContact C-O 3.54Å; I267-S329 WeakPolarHBondContact CA-O 3.37Å; I267-L330 HydrophobicContact CG1-CG 4.36Å; I267-W373 HydrophobicContact CD1-CD2 3.83Å; I267-W373 HydrophobicContact CD1-CE3 3.81Å; I267-W373 HydrophobicContact CD1-CH2 3.51Å; I267-W373 HydrophobicContact CD1-CZ2 3.52Å; I267-W373 HydrophobicContact CD1-CZ3 3.66Å
268K97Very high94.5Very high26 Ų2644.4 Ų44.411%0.11322%0.22CC..EExtended strand (participates in β ladder)trans-120.6149.4-177.664.3179.7-175.9174.70111.9E272 M273 S329 V331 D336K268-E272 CarbonylContact C-O 3.59Å; K268-E272 WeakPolarHBondContact CA-O 3.18Å; K268-E272 VanDerWaalsContact CB-O 3.31Å; K268-E272 WeakPolarHBondContact CB-O 3.26Å; K268-M273 HydrophobicContact CB-SD 3.87Å; K268-S329 PolarHBondContact N-O 3Å; K268-S329 PolarHBondContact O-N 3.43Å; K268-V331 HydrophobicContact CD-CG2 4.33Å; K268-V331 HydrophobicContact CG-CG2 4.39Å; K268-D336 WeakPolarHBondContact CE-OD1 3.47Å; K268-D336 WeakPolarHBondContact CE-OD2 3.34Å; K268-D336 VanDerWaalsContact NZ-CG 3.29Å; K268-D336 IonicContact NZ-OD1 3.24Å; K268-D336 PolarHBondContact NZ-OD1 2.91Å; K268-D336 IonicContact NZ-OD2 2.67Å; K268-D336 PolarHBondContact NZ-OD2 3.09Å
269I96.8Very high94.8Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-118.4121.2167.6-59.5-171000106.1E271 E272 L274 I301 Y304 I305 P326 I328I269-E271 PolarHBondContact O-N 2.9Å; I269-E272 PolarHBondContact N-O 3.04Å; I269-E272 PolarHBondContact O-N 2.81Å; I269-E272 VanDerWaalsContact O-N 3.11Å; I269-L274 HydrophobicContact CB-CD1 3.96Å; I269-L274 HydrophobicContact CD1-CD1 3.45Å; I269-L274 VanDerWaalsContact CD1-CD1 3.45Å; I269-L274 HydrophobicContact CG1-CD1 3.61Å; I269-L274 HydrophobicContact CG1-CG 4.47Å; I269-I301 HydrophobicContact CD1-CG2 4.35Å; I269-Y304 HydrophobicContact CB-CD1 4.34Å; I269-Y304 HydrophobicContact CB-CE1 4.14Å; I269-Y304 HydrophobicContact CD1-CD1 3.82Å; I269-Y304 HydrophobicContact CD1-CE1 4.44Å; I269-Y304 HydrophobicContact CD1-CG 4.09Å; I269-Y304 HydrophobicContact CG2-CD1 3.81Å; I269-Y304 HydrophobicContact CG2-CE1 3.37Å; I269-I305 HydrophobicContact CD1-CG2 4.01Å; I269-P326 HydrophobicContact CD1-CG 4.43Å; I269-P326 HydrophobicContact CG2-CB 3.53Å; I269-P326 HydrophobicContact CG2-CG 3.49Å; I269-P326 VanDerWaalsContact CG2-CG 3.49Å; I269-I328 HydrophobicContact CD1-CD1 4.17Å; I269-I328 HydrophobicContact CD1-CG1 3.9Å; I269-I328 HydrophobicContact CG1-CB 4.45Å; I269-I328 HydrophobicContact CG1-CG1 3.99Å; I269-I328 HydrophobicContact CG1-CG2 4.25Å
270N89.9Confident95.1Very high97 Ų9743.6 Ų43.652%0.51923%0.228SC..THydrogen-bonded Turntrans55-125.4-163.5-51.5-52.7000110Y304N270-Y304 PolarHBondContact ND2-OH 2.79Å
271E89.2Confident95Very high164 Ų16444.8 Ų44.877%0.76624%0.235SC*.THydrogen-bonded Turntrans-96.4-0.1176.7-61.3-56.5147.300113.4I269I269-E271 PolarHBondContact O-N 2.9Å
272E94.9Very high95Very high101 Ų10144.2 Ų44.247%0.47223%0.233SC..EExtended strand (participates in β ladder)trans-92.1118.4-178.9-170.8-178.2172.500111.1K268 I269 L274K268-E272 CarbonylContact C-O 3.59Å; K268-E272 WeakPolarHBondContact CA-O 3.18Å; K268-E272 VanDerWaalsContact CB-O 3.31Å; K268-E272 WeakPolarHBondContact CB-O 3.26Å; I269-E272 PolarHBondContact N-O 3.04Å; I269-E272 PolarHBondContact O-N 2.81Å; I269-E272 VanDerWaalsContact O-N 3.11Å; E272-L274 HydrophobicContact CG-CD2 3.92Å; E272-L274 PolarHBondContact O-N 2.91Å; E272-L274 WeakPolarHBondContact OE1-CD2 3.49Å
273M95.5Very high95Very high62 Ų6244.2 Ų44.231%0.30523%0.233SC..EExtended strand (participates in β ladder)trans-70.1118.8169.3-63.2-76.2-94.100109.1S265 G266 K268 K277S265-M273 VanDerWaalsContact O-CE 3.24Å; S265-M273 WeakPolarHBondContact O-CE 3.5Å; G266-M273 VanDerWaalsContact CA-CE 3.5Å; K268-M273 HydrophobicContact CB-SD 3.87Å; M273-K277 HydrophobicContact CB-CG 4.1Å; M273-K277 WeakPolarHBondContact O-CE 3.28Å; M273-K277 PolarHBondContact O-NZ 3.28Å
274L95.4Very high94.9Very high10 Ų1039.9 Ų39.95%0.05221%0.209CC..EExtended strand (participates in β ladder)trans-104.5-31.9-179.1-67.8-175.3000113.1I267 I269 E272 R300 I301 Y304I267-L274 PolarHBondContact O-N 3.11Å; I269-L274 HydrophobicContact CB-CD1 3.96Å; I269-L274 HydrophobicContact CD1-CD1 3.45Å; I269-L274 VanDerWaalsContact CD1-CD1 3.45Å; I269-L274 HydrophobicContact CG1-CD1 3.61Å; I269-L274 HydrophobicContact CG1-CG 4.47Å; E272-L274 HydrophobicContact CG-CD2 3.92Å; E272-L274 PolarHBondContact O-N 2.91Å; E272-L274 WeakPolarHBondContact OE1-CD2 3.49Å; L274-R300 PolarHBondContact O-NE 3.45Å; L274-I301 HydrophobicContact CB-CG1 4.33Å; L274-Y304 HydrophobicContact CD1-CD2 3.68Å; L274-Y304 HydrophobicContact CD1-CE2 4.39Å; L274-Y304 HydrophobicContact CD1-CG 3.78Å; L274-Y304 HydrophobicContact CD2-CD2 4.1Å; L274-Y304 HydrophobicContact CG-CD2 4.49Å
275A96Very high94.7Very high0 Ų039.8 Ų39.80%021%0.209CC..EExtended strand (participates in β ladder)trans-136.7161.2-178.600000110.6I267 K277 E297 I301 W373I267-A275 HydrophobicContact CB-CB 4.08Å; I267-A275 HydrophobicContact CD1-CB 4.23Å; I267-A275 HydrophobicContact CG1-CB 4.32Å; I267-A275 PolarHBondContact N-O 2.8Å; I267-A275 PolarHBondContact O-N 2.9Å; A275-K277 PolarHBondContact O-N 2.89Å; A275-K277 VanDerWaalsContact O-N 3.14Å; A275-E297 HydrophobicContact CB-CB 3.75Å; A275-E297 HydrophobicContact CB-CG 4.44Å; A275-E297 WeakPolarHBondContact CB-OE2 3.31Å; A275-I301 HydrophobicContact CB-CD1 4.07Å; A275-I301 HydrophobicContact CB-CG1 4.5Å; A275-W373 HydrophobicContact CB-CH2 4.44Å; A275-W373 HydrophobicContact CB-CZ2 3.84Å
276C94.6Very high94.5Very high0 Ų038 Ų380%020%0.196CC..  trans57.730.2176.8-171.80000113.4M264 S265 I267 D278 G279 C280 E297M264-C276 HydrophobicContact CE-CB 4.5Å; M264-C276 PolarHBondContact O-SG 2.77Å; S265-C276 CarbonylContact C-O 3.57Å; S265-C276 VanDerWaalsContact O-O 3.08Å; I267-C276 HydrophobicContact CG1-CB 4.47Å; C276-D278 VanDerWaalsContact C-N 3.26Å; C276-D278 PolarHBondContact O-N 2.84Å; C276-G279 WeakPolarHBondContact O-CA 3.32Å; C276-G279 PolarHBondContact O-N 3Å; C276-C280 HydrophobicContact CB-CB 3.9Å; C276-C280 WeakPolarHBondContact CB-SG 3.49Å; C276-C280 WeakPolarHBondContact SG-CB 3.24Å; C276-C280 PolarHBondContact SG-N 2.9Å; C276-C280 CovalentContact SG-SG 2.03Å; C276-C280 PolarHBondContact SG-SG 3Å; C276-E297 PolarHBondContact N-OE1 3.46Å; C276-E297 PolarHBondContact N-OE2 3.45Å
277K89.9Confident93.9Very high115 Ų11538.1 Ų38.150%0.520%0.197SC..THydrogen-bonded Turntrans-56.3-34.3-174.4-69.6-178.8171.2-176.70114.6M273 A275M273-K277 HydrophobicContact CB-CG 4.1Å; M273-K277 WeakPolarHBondContact O-CE 3.28Å; M273-K277 PolarHBondContact O-NZ 3.28Å; A275-K277 PolarHBondContact O-N 2.89Å; A275-K277 VanDerWaalsContact O-N 3.14Å
278D90.3Very high93.2Very high143 Ų14338.3 Ų38.377%0.76520%0.198SC*.THydrogen-bonded Turntrans-102.218-179.1-43.3-65.5000111.6C276 K371C276-D278 VanDerWaalsContact C-N 3.26Å; C276-D278 PolarHBondContact O-N 2.84Å; D278-K371 IonicContact OD2-NZ 3.72Å; D278-K371 PolarHBondContact OD2-NZ 3.04Å; D278-K371 VanDerWaalsContact OD2-NZ 3.15Å
279G93.2Very high92.6Very high29 Ų2937.5 Ų37.530%0.29920%0.196SC..  trans77.9161.4-164.900000113.2M264 C276M264-G279 WeakPolarHBondContact O-CA 3.49Å; C276-G279 WeakPolarHBondContact O-CA 3.32Å; C276-G279 PolarHBondContact O-N 3Å
280C96.2Very high92.3Very high12 Ų1238 Ų388%0.08120%0.198CC..EExtended strand (participates in β ladder)trans-158.6172.917861.60000108.9M264 C276 K371M264-C280 WeakPolarHBondContact CE-SG 3.35Å; M264-C280 PolarHBondContact N-O 2.77Å; M264-C280 PolarHBondContact O-N 2.8Å; M264-C280 VanDerWaalsContact O-O 3.11Å; C276-C280 HydrophobicContact CB-CB 3.9Å; C276-C280 WeakPolarHBondContact CB-SG 3.49Å; C276-C280 WeakPolarHBondContact SG-CB 3.24Å; C276-C280 PolarHBondContact SG-N 2.9Å; C276-C280 CovalentContact SG-SG 2.03Å; C276-C280 PolarHBondContact SG-SG 3Å; C280-K371 HydrophobicContact CB-CB 3.68Å; C280-K371 VanDerWaalsContact CB-O 3.31Å; C280-K371 WeakPolarHBondContact CB-O 3.02Å
281T95.7Very high92.6Very high24 Ų2433.3 Ų33.315%0.14717%0.173CC..EExtended strand (participates in β ladder)trans-103.2151.3168.858.60000110.6E261 F262 K371 L372 W373E261-T281 HydrophobicContact CG-CG2 4.43Å; F262-T281 CarbonylContact O-C 3.39Å; F262-T281 WeakPolarHBondContact O-CA 3.47Å; T281-K371 PolarHBondContact N-O 2.82Å; T281-L372 CarbonylContact O-C 3.58Å; T281-L372 WeakPolarHBondContact O-CA 3.13Å; T281-L372 WeakPolarHBondContact OG1-CD1 3.37Å; T281-W373 PolarHBondContact O-N 3.12Å
282A97.1Very high92.8Very high0 Ų025.6 Ų25.60%014%0.137CC..EExtended strand (participates in β ladder)trans-132.1148.8176.100000110.2E261 F262 M264 W373 L375E261-A282 CarbonylContact C-O 3.55Å; E261-A282 VanDerWaalsContact CA-O 3.24Å; E261-A282 WeakPolarHBondContact CA-O 3.32Å; F262-A282 HydrophobicContact CD2-CB 4.34Å; F262-A282 HydrophobicContact CE1-CB 4.4Å; F262-A282 HydrophobicContact CE2-CB 3.77Å; F262-A282 HydrophobicContact CZ-CB 3.8Å; F262-A282 PolarHBondContact N-O 2.93Å; F262-A282 PolarHBondContact O-N 3.21Å; M264-A282 HydrophobicContact CB-CB 4.2Å; M264-A282 HydrophobicContact CE-CB 4.42Å; M264-A282 HydrophobicContact SD-CB 4.49Å; A282-W373 CarbonylContact C-O 3.59Å; A282-W373 VanDerWaalsContact CA-O 3.24Å; A282-W373 WeakPolarHBondContact CA-O 3.48Å; A282-W373 HydrophobicContact CB-CB 4.14Å; A282-L375 HydrophobicContact CB-CD1 4.35Å; A282-L375 HydrophobicContact CB-CG 4.28Å
283I96.1Very high92.8Very high0 Ų020.8 Ų20.80%012%0.115CC..EExtended strand (participates in β ladder)trans-117.5129.9173.7-65.1169.7000108.9Y59 Y259 W260 E261 D285 L372 W373 L375Y59-I283 HydrophobicContact CD1-CD1 4.02Å; Y59-I283 HydrophobicContact CE1-CD1 3.29Å; Y259-I283 HydrophobicContact CD2-CD1 4.05Å; Y259-I283 HydrophobicContact CG-CD1 4Å; W260-I283 WeakPolarHBondContact O-CA 3.49Å; E261-I283 HydrophobicContact CB-CG1 3.94Å; E261-I283 HydrophobicContact CG-CG1 4.1Å; I283-D285 HydrophobicContact CG2-CB 4.25Å; I283-L372 HydrophobicContact CD1-CD1 3.86Å; I283-L372 HydrophobicContact CD1-CD2 4.22Å; I283-L372 HydrophobicContact CG1-CD1 3.94Å; I283-W373 PolarHBondContact N-O 3.24Å; I283-L375 PolarHBondContact O-N 2.88Å
284A97.1Very high92.8Very high0 Ų018.5 Ų18.50%011%0.105CC..EExtended strand (participates in β ladder)trans-82.7111.1167.100000110T99 W260 F262 T385 F387 V394 F396T99-A284 PolarHBondContact OG1-O 2.04Å; W260-A284 PolarHBondContact O-N 3.05Å; F262-A284 HydrophobicContact CE1-CB 4.14Å; A284-T385 HydrophobicContact CB-CG2 4.4Å; A284-F387 HydrophobicContact CB-CE1 3.86Å; A284-F387 HydrophobicContact CB-CZ 4.13Å; A284-V394 HydrophobicContact CB-CG1 4.34Å; A284-F396 HydrophobicContact CB-CZ 4.49Å
285D93.5Very high92.6Very high1 Ų122.5 Ų22.51%0.00512%0.122CC..  trans-127.1100.5-170.1-175.15.2000112H73 T99 G100 I283 G287 T288 I374 L375 G376H73-D285 IonicContact CE1-OD2 3.66Å; T99-D285 VanDerWaalsContact OG1-CA 3.29Å; T99-D285 WeakPolarHBondContact OG1-CA 3.48Å; G100-D285 WeakPolarHBondContact CA-OD1 3.25Å; G100-D285 PolarHBondContact N-OD1 2.82Å; I283-D285 HydrophobicContact CG2-CB 4.25Å; D285-G287 PolarHBondContact O-N 2.92Å; D285-G287 WeakPolarHBondContact OD1-CA 3.32Å; D285-G287 PolarHBondContact OD1-N 3.11Å; D285-T288 PolarHBondContact O-N 2.87Å; D285-T288 VanDerWaalsContact O-N 3.13Å; D285-T288 PolarHBondContact OD2-OG1 2.85Å; D285-I374 HydrophobicContact CB-CG2 3.69Å; D285-L375 PolarHBondContact N-O 2.92Å; D285-G376 WeakPolarHBondContact O-CA 3.35Å
286T91.5Very high92.5Very high14 Ų1426.8 Ų26.89%0.08615%0.145CC..THydrogen-bonded Turntrans-70.8-11.2176.460.50000113.3F97 T99 F221 T288 I380 F387F97-T286 PolarHBondContact O-OG1 3Å; T99-T286 HydrophobicContact CG2-CG2 3.86Å; T99-T286 WeakPolarHBondContact CG2-OG1 3.38Å; T99-T286 PolarHBondContact N-OG1 3.22Å; T99-T286 PolarHBondContact OG1-N 3.44Å; T99-T286 PolarHBondContact OG1-OG1 3.39Å; F221-T286 HydrophobicContact CD1-CG2 3.83Å; F221-T286 HydrophobicContact CD2-CG2 4.07Å; F221-T286 HydrophobicContact CE1-CG2 3.76Å; F221-T286 HydrophobicContact CE2-CG2 4.02Å; F221-T286 HydrophobicContact CG-CG2 3.97Å; F221-T286 HydrophobicContact CZ-CG2 3.84Å; T286-T288 VanDerWaalsContact C-N 3.32Å; T286-I380 HydrophobicContact CG2-CD1 3.85Å; T286-F387 HydrophobicContact CG2-CE2 4.49Å; T286-F387 HydrophobicContact CG2-CZ 4.32Å
287G84.4Confident92.6Very high2 Ų227 Ų272%0.02115%0.146CC..THydrogen-bonded Turntrans-79.6-16171.100000112.9H73 D98 D285H73-G287 PolarHBondContact NE2-O 3.48Å; D98-G287 WeakPolarHBondContact OD1-CA 3.33Å; D98-G287 PolarHBondContact OD1-N 3.15Å; D285-G287 PolarHBondContact O-N 2.92Å; D285-G287 WeakPolarHBondContact OD1-CA 3.32Å; D285-G287 PolarHBondContact OD1-N 3.11Å
288T84.2Confident92.9Very high4 Ų421.5 Ų21.53%0.02512%0.122CC..  trans-110.1142.1-175.6-66.80000110.4W51 D285 T286 L290 I374 G376 D377W51-T288 HydrophobicContact CZ2-CG2 4.05Å; D285-T288 PolarHBondContact O-N 2.87Å; D285-T288 VanDerWaalsContact O-N 3.13Å; D285-T288 PolarHBondContact OD2-OG1 2.85Å; T286-T288 VanDerWaalsContact C-N 3.32Å; T288-L290 WeakPolarHBondContact CG2-O 3.49Å; T288-I374 HydrophobicContact CG2-CG2 4.01Å; T288-G376 CarbonylContact O-C 3.56Å; T288-G376 WeakPolarHBondContact O-CA 3.24Å; T288-D377 PolarHBondContact O-N 2.82Å
289S83.9Confident93.2Very high9 Ų916.3 Ų16.36%0.06310%0.099CC..  trans-93.2-41.1176.8-62.30000114.7D77 G376 D377 V378D77-S289 WeakPolarHBondContact CB-OG 3.24Å; D77-S289 PolarHBondContact O-OG 3.12Å; S289-G376 CarbonylContact O-C 3.59Å; S289-D377 WeakPolarHBondContact CA-OD2 3.4Å; S289-D377 WeakPolarHBondContact CB-OD2 3.42Å; S289-D377 PolarHBondContact O-N 3.18Å; S289-D377 VanDerWaalsContact O-N 3.11Å; S289-D377 PolarHBondContact OG-OD2 2.92Å; S289-V378 WeakPolarHBondContact O-CG2 3.46Å; S289-V378 PolarHBondContact O-N 3.24Å
290L90.5Very high93.3Very high10 Ų1019.1 Ų19.15%0.05210%0.101CC..SBendtrans-84.1161.7-174.7-54-173.8000112.3T288 M346 G359 M361 G376T288-L290 WeakPolarHBondContact CG2-O 3.49Å; L290-M346 HydrophobicContact CD2-CE 3.28Å; L290-M346 HydrophobicContact CD2-SD 3.75Å; L290-G359 WeakPolarHBondContact CB-O 3.34Å; L290-M361 HydrophobicContact CB-CB 4.48Å; L290-M361 HydrophobicContact CD1-CB 3.98Å; L290-M361 HydrophobicContact CD1-SD 3.99Å; L290-G376 PolarHBondContact O-N 2.82Å
291I95.1Very high93.3Very high0 Ų018.5 Ų18.50%010%0.097CC..EExtended strand (participates in β ladder)trans-82.7113.2160.6-62.5169.7000107.3L339 G359 F360 M361 W373 I374 L375 V378 F379I291-L339 HydrophobicContact CD1-CD1 3.42Å; I291-L339 VanDerWaalsContact CD1-CD1 3.42Å; I291-G359 PolarHBondContact N-O 3.23Å; I291-F360 HydrophobicContact CB-CD1 3.97Å; I291-F360 HydrophobicContact CB-CE1 4.13Å; I291-F360 HydrophobicContact CB-CG 4.45Å; I291-F360 HydrophobicContact CD1-CE1 3.96Å; I291-F360 HydrophobicContact CD1-CE2 4.3Å; I291-F360 HydrophobicContact CD1-CZ 3.83Å; I291-F360 HydrophobicContact CG2-CD1 3.66Å; I291-F360 HydrophobicContact CG2-CE1 3.66Å; I291-F360 CarbonylContact O-C 3.51Å; I291-F360 VanDerWaalsContact O-CA 3.28Å; I291-F360 WeakPolarHBondContact O-CA 3.21Å; I291-M361 PolarHBondContact O-N 3.23Å; I291-W373 HydrophobicContact CG2-CE3 3.79Å; I291-W373 HydrophobicContact CG2-CZ3 3.95Å; I291-I374 CarbonylContact C-O 3.55Å; I291-I374 VanDerWaalsContact CA-O 3.32Å; I291-I374 WeakPolarHBondContact CA-O 3.45Å; I291-L375 HydrophobicContact CG2-CD2 4.03Å; I291-V378 HydrophobicContact CD1-CB 4.31Å; I291-V378 HydrophobicContact CD1-CG1 3.68Å; I291-V378 HydrophobicContact CG1-CB 4.12Å; I291-V378 HydrophobicContact CG1-CG1 4.02Å; I291-F379 HydrophobicContact CD1-CB 4.26Å; I291-F379 HydrophobicContact CG1-CB 4.31Å
292A94.4Very high93.4Very high1 Ų117.4 Ų17.41%0.0089%0.09CC..EExtended strand (participates in β ladder)trans-108.2139.2-179.700000110.7W51 M361 I363 W373 I374W51-A292 HydrophobicContact CH2-CB 3.9Å; A292-M361 WeakPolarHBondContact CA-O 3.39Å; A292-I363 HydrophobicContact CB-CD1 3.44Å; A292-I363 VanDerWaalsContact CB-CD1 3.44Å; A292-I363 HydrophobicContact CB-CG1 4.12Å; A292-W373 CarbonylContact O-C 3.52Å; A292-W373 VanDerWaalsContact O-CA 3.25Å; A292-W373 WeakPolarHBondContact O-CA 3.3Å; A292-I374 HydrophobicContact CB-CB 4.12Å; A292-I374 HydrophobicContact CB-CD1 4.36Å; A292-I374 PolarHBondContact N-O 3.04Å; A292-I374 PolarHBondContact O-N 3.16Å
293G95.2Very high93.4Very high1 Ų124.9 Ų24.91%0.0113%0.125CC..EExtended strand (participates in β ladder)trans-154.1-179.7-178.800000113.4K295 M361 I363G293-K295 PolarHBondContact O-N 3.23Å; G293-M361 PolarHBondContact N-O 2.98Å; G293-I363 PolarHBondContact O-N 3.45Å
294P93.9Very high93.3Very high14 Ų1429.5 Ų29.59%0.09114%0.143CC..EExtended strand (participates in β ladder)trans-59.7134.1178.2-1931.1000110.7D296 E297 V298 K371P294-D296 VanDerWaalsContact C-N 3.3Å; P294-D296 PolarHBondContact O-N 2.82Å; P294-E297 HydrophobicContact CB-CB 4.44Å; P294-E297 HydrophobicContact CB-CG 4.08Å; P294-E297 HydrophobicContact CG-CG 4.31Å; P294-E297 PolarHBondContact O-N 3.01Å; P294-E297 VanDerWaalsContact O-N 3.11Å; P294-V298 WeakPolarHBondContact O-CG2 3.48Å; P294-V298 PolarHBondContact O-N 3.39Å; P294-K371 HydrophobicContact CG-CB 4.43Å
295K93.1Very high93.3Very high93 Ų9330 Ų3040%0.40415%0.146SC..Hα-helixtrans-55.4-40-171.7-173.4178.3-174.6176.70114.4G293 A299 I363 D364G293-K295 PolarHBondContact O-N 3.23Å; K295-A299 VanDerWaalsContact O-CB 3.26Å; K295-A299 WeakPolarHBondContact O-CB 3.4Å; K295-A299 PolarHBondContact O-N 3.19Å; K295-I363 PolarHBondContact N-O 3.07Å; K295-D364 WeakPolarHBondContact CD-OD1 3.35Å; K295-D364 WeakPolarHBondContact CD-OD2 3.46Å; K295-D364 IonicContact NZ-OD1 2.95Å; K295-D364 IonicContact NZ-OD2 3.31Å; K295-D364 PolarHBondContact NZ-OD2 2.88Å
296D93.3Very high93.4Very high91 Ų9132.4 Ų32.449%0.48717%0.17SC..Hα-helixtrans-70.6-38.9179.870.4-61.2000112P294 A299 R300P294-D296 VanDerWaalsContact C-N 3.3Å; P294-D296 PolarHBondContact O-N 2.82Å; D296-A299 PolarHBondContact O-N 2.65Å; D296-R300 WeakPolarHBondContact O-CG 3.45Å; D296-R300 PolarHBondContact O-N 2.04Å; D296-R300 IonicContact OD2-CZ 2.81Å; D296-R300 IonicContact OD2-NH1 3.71Å; D296-R300 PolarHBondContact OD2-NH1 3.03Å; D296-R300 IonicContact OD2-NH2 3.5Å
297E95.5Very high93.6Very high3 Ų332.1 Ų32.11%0.01417%0.169CC..Hα-helixtrans-69.8-42.2177.6-54.4-146.3147.400111.3A275 C276 P294 R300 I301 K371 W373A275-E297 HydrophobicContact CB-CB 3.75Å; A275-E297 HydrophobicContact CB-CG 4.44Å; A275-E297 WeakPolarHBondContact CB-OE2 3.31Å; C276-E297 PolarHBondContact N-OE1 3.46Å; C276-E297 PolarHBondContact N-OE2 3.45Å; P294-E297 HydrophobicContact CB-CB 4.44Å; P294-E297 HydrophobicContact CB-CG 4.08Å; P294-E297 HydrophobicContact CG-CG 4.31Å; P294-E297 PolarHBondContact O-N 3.01Å; P294-E297 VanDerWaalsContact O-N 3.11Å; E297-R300 VanDerWaalsContact CG-NH2 3.33Å; E297-R300 PolarHBondContact O-N 3.3Å; E297-R300 IonicContact OE1-NH2 3.89Å; E297-R300 PolarHBondContact OE1-NH2 2.92Å; E297-I301 PolarHBondContact O-N 3.37Å; E297-K371 IonicContact OE1-NZ 3.71Å; E297-W373 HydrophobicContact CB-CZ2 3.9Å
298V96.8Very high94.1Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-63-44.3173.6174.70000110.4P294 R300 I301 Q302 Y315 F360 W373P294-V298 WeakPolarHBondContact O-CG2 3.48Å; P294-V298 PolarHBondContact O-N 3.39Å; V298-R300 PolarHBondContact O-N 2.96Å; V298-I301 WeakPolarHBondContact O-CB 3.34Å; V298-I301 PolarHBondContact O-N 3.4Å; V298-I301 VanDerWaalsContact O-N 3.09Å; V298-Q302 HydrophobicContact CG1-CG 3.84Å; V298-Q302 WeakPolarHBondContact O-CG 3.06Å; V298-Q302 PolarHBondContact O-N 2.85Å; V298-Y315 HydrophobicContact CG1-CD2 4.42Å; V298-Y315 HydrophobicContact CG1-CE2 3.96Å; V298-F360 HydrophobicContact CG1-CB 4.31Å; V298-W373 HydrophobicContact CG2-CH2 3.57Å; V298-W373 HydrophobicContact CG2-CZ2 4.45Å; V298-W373 HydrophobicContact CG2-CZ3 3.87Å
299A95.7Very high94.5Very high35 Ų3542.2 Ų42.229%0.28922%0.222SC..Hα-helixtrans-56.5-38.2177.700000112.6K295 D296 Q302 E303K295-A299 VanDerWaalsContact O-CB 3.26Å; K295-A299 WeakPolarHBondContact O-CB 3.4Å; K295-A299 PolarHBondContact O-N 3.19Å; D296-A299 PolarHBondContact O-N 2.65Å; A299-Q302 PolarHBondContact O-N 2.89Å; A299-E303 WeakPolarHBondContact O-CB 3.17Å; A299-E303 PolarHBondContact O-N 2.54Å
300R95.9Very high94.7Very high87 Ų8745 Ų4533%0.32824%0.235SC..Hα-helixtrans-63.4-44.2174.8-70.5-169.2-65.5-96.57.8112.7L274 D296 E297 V298 Q302 Y304L274-R300 PolarHBondContact O-NE 3.45Å; D296-R300 WeakPolarHBondContact O-CG 3.45Å; D296-R300 PolarHBondContact O-N 2.04Å; D296-R300 IonicContact OD2-CZ 2.81Å; D296-R300 IonicContact OD2-NH1 3.71Å; D296-R300 PolarHBondContact OD2-NH1 3.03Å; D296-R300 IonicContact OD2-NH2 3.5Å; E297-R300 VanDerWaalsContact CG-NH2 3.33Å; E297-R300 PolarHBondContact O-N 3.3Å; E297-R300 IonicContact OE1-NH2 3.89Å; E297-R300 PolarHBondContact OE1-NH2 2.92Å; V298-R300 PolarHBondContact O-N 2.96Å; R300-Q302 VanDerWaalsContact C-N 3.3Å; R300-Q302 PolarHBondContact O-N 3.32Å; R300-Y304 PolarHBondContact O-N 3.14Å; R300-Y304 VanDerWaalsContact O-N 3.12Å
301I97.3Very high94.4Very high0 Ų048.6 Ų48.60%025%0.254CS..Hα-helixtrans-59.7-45.1174.8-66.5170.5000110I267 I269 L274 A275 E297 V298 Y304 I305 I328 F360 W373I267-I301 HydrophobicContact CD1-CD1 4.32Å; I267-I301 HydrophobicContact CG2-CD1 4.15Å; I269-I301 HydrophobicContact CD1-CG2 4.35Å; L274-I301 HydrophobicContact CB-CG1 4.33Å; A275-I301 HydrophobicContact CB-CD1 4.07Å; A275-I301 HydrophobicContact CB-CG1 4.5Å; E297-I301 PolarHBondContact O-N 3.37Å; V298-I301 WeakPolarHBondContact O-CB 3.34Å; V298-I301 PolarHBondContact O-N 3.4Å; V298-I301 VanDerWaalsContact O-N 3.09Å; I301-Y304 WeakPolarHBondContact O-CB 3.01Å; I301-Y304 PolarHBondContact O-N 3.3Å; I301-I305 PolarHBondContact O-N 3.44Å; I301-I305 VanDerWaalsContact O-N 3.13Å; I301-I328 HydrophobicContact CG2-CD1 3.98Å; I301-F360 HydrophobicContact CD1-CD1 4.4Å; I301-F360 HydrophobicContact CD1-CE1 4.43Å; I301-W373 HydrophobicContact CD1-CH2 3.84Å
302Q97.3Very high93.9Very high0 Ų051.8 Ų51.80%027%0.27CS..Hα-helixtrans-69.1-38.9-175.8-62.4-70.9-0.400112.3V298 A299 R300 Y304 I305 G306 A307 Y315 S358 F360V298-Q302 HydrophobicContact CG1-CG 3.84Å; V298-Q302 WeakPolarHBondContact O-CG 3.06Å; V298-Q302 PolarHBondContact O-N 2.85Å; A299-Q302 PolarHBondContact O-N 2.89Å; R300-Q302 VanDerWaalsContact C-N 3.3Å; R300-Q302 PolarHBondContact O-N 3.32Å; Q302-Y304 VanDerWaalsContact C-N 3.33Å; Q302-I305 PolarHBondContact O-N 2.92Å; Q302-G306 PolarHBondContact O-N 3.13Å; Q302-A307 HydrophobicContact CB-CB 4.15Å; Q302-A307 PolarHBondContact O-N 2.86Å; Q302-Y315 HydrophobicContact CB-CD1 3.49Å; Q302-Y315 VanDerWaalsContact CB-CD1 3.49Å; Q302-Y315 HydrophobicContact CB-CD2 4.3Å; Q302-Y315 HydrophobicContact CB-CE1 3.63Å; Q302-Y315 HydrophobicContact CB-CE2 4.42Å; Q302-Y315 HydrophobicContact CB-CG 3.87Å; Q302-Y315 VanDerWaalsContact CD-CG 3.43Å; Q302-Y315 HydrophobicContact CG-CD1 3.63Å; Q302-Y315 HydrophobicContact CG-CD2 3.48Å; Q302-Y315 VanDerWaalsContact CG-CD2 3.48Å; Q302-Y315 HydrophobicContact CG-CE1 3.85Å; Q302-Y315 HydrophobicContact CG-CE2 3.72Å; Q302-Y315 HydrophobicContact CG-CG 3.46Å; Q302-Y315 VanDerWaalsContact CG-CG 3.46Å; Q302-S358 PolarHBondContact NE2-OG 3.33Å; Q302-S358 PolarHBondContact OE1-OG 2.59Å; Q302-F360 VanDerWaalsContact NE2-CB 3.35Å; Q302-F360 PolarHBondContact NE2-O 2.98Å
303E96Very high93.6Very high157 Ų15752.4 Ų52.473%0.73428%0.276SS*.Hα-helixtrans-60.2-44.1172.2-177.1173-16200111.1A299 I305 G306A299-E303 WeakPolarHBondContact O-CB 3.17Å; A299-E303 PolarHBondContact O-N 2.54Å; E303-I305 PolarHBondContact O-N 2.99Å; E303-G306 PolarHBondContact O-N 3.26Å; E303-G306 VanDerWaalsContact O-N 3.12Å
304Y95.7Very high93.4Very high97 Ų9752.4 Ų52.438%0.3828%0.275SS..Hα-helixtrans-59.9-46178.8-165.6-75.5000112.2I269 N270 L274 R300 I301 Q302 G306 P326I269-Y304 HydrophobicContact CB-CD1 4.34Å; I269-Y304 HydrophobicContact CB-CE1 4.14Å; I269-Y304 HydrophobicContact CD1-CD1 3.82Å; I269-Y304 HydrophobicContact CD1-CE1 4.44Å; I269-Y304 HydrophobicContact CD1-CG 4.09Å; I269-Y304 HydrophobicContact CG2-CD1 3.81Å; I269-Y304 HydrophobicContact CG2-CE1 3.37Å; N270-Y304 PolarHBondContact ND2-OH 2.79Å; L274-Y304 HydrophobicContact CD1-CD2 3.68Å; L274-Y304 HydrophobicContact CD1-CE2 4.39Å; L274-Y304 HydrophobicContact CD1-CG 3.78Å; L274-Y304 HydrophobicContact CD2-CD2 4.1Å; L274-Y304 HydrophobicContact CG-CD2 4.49Å; R300-Y304 PolarHBondContact O-N 3.14Å; R300-Y304 VanDerWaalsContact O-N 3.12Å; I301-Y304 WeakPolarHBondContact O-CB 3.01Å; I301-Y304 PolarHBondContact O-N 3.3Å; Q302-Y304 VanDerWaalsContact C-N 3.33Å; Y304-G306 PolarHBondContact O-N 2.69Å; Y304-P326 HydrophobicContact CD1-CG 4.14Å; Y304-P326 HydrophobicContact CE1-CG 4.05Å
305I95.7Very high93.4Very high12 Ų1252.8 Ų52.86%0.06228%0.275CS..THydrogen-bonded Turntrans-81.23.9-179.771.3172.3000113.1I269 I301 Q302 E303 A307 V317 L325 P326 I328 Y344I269-I305 HydrophobicContact CD1-CG2 4.01Å; I301-I305 PolarHBondContact O-N 3.44Å; I301-I305 VanDerWaalsContact O-N 3.13Å; Q302-I305 PolarHBondContact O-N 2.92Å; E303-I305 PolarHBondContact O-N 2.99Å; I305-A307 HydrophobicContact CD1-CB 4.14Å; I305-A307 HydrophobicContact CG1-CB 3.89Å; I305-A307 PolarHBondContact O-N 2.86Å; I305-V317 HydrophobicContact CD1-CG1 4.31Å; I305-L325 HydrophobicContact CB-CD2 4.3Å; I305-L325 WeakPolarHBondContact O-CD2 3.18Å; I305-P326 HydrophobicContact CG2-CG 3.89Å; I305-I328 HydrophobicContact CG2-CD1 4.33Å; I305-Y344 HydrophobicContact CD1-CE2 4.2Å
306G95.1Very high93.5Very high50 Ų5052.9 Ų52.952%0.51528%0.276SS..THydrogen-bonded Turntrans70.317.7179.400000114.5Q302 E303 Y304Q302-G306 PolarHBondContact O-N 3.13Å; E303-G306 PolarHBondContact O-N 3.26Å; E303-G306 VanDerWaalsContact O-N 3.12Å; Y304-G306 PolarHBondContact O-N 2.69Å
307A96.3Very high93.5Very high8 Ų849 Ų497%0.06626%0.255CS..  trans-70.4153.4176.800000111.3Q302 I305 F316 V317Q302-A307 HydrophobicContact CB-CB 4.15Å; Q302-A307 PolarHBondContact O-N 2.86Å; I305-A307 HydrophobicContact CD1-CB 4.14Å; I305-A307 HydrophobicContact CG1-CB 3.89Å; I305-A307 PolarHBondContact O-N 2.86Å; A307-F316 WeakPolarHBondContact CA-O 3.08Å; A307-V317 HydrophobicContact CB-CG1 3.57Å
308K94.5Very high93.4Very high127 Ų12752.6 Ų52.655%0.55228%0.275SS*.EExtended strand (participates in β ladder)trans-110.7138.5179.6-62.8-58.3-179.9-168.30110.5L310 Y315 F316K308-L310 PolarHBondContact O-N 3.32Å; K308-Y315 CarbonylContact O-C 3.5Å; K308-Y315 VanDerWaalsContact O-CA 3.26Å; K308-Y315 WeakPolarHBondContact O-CA 3.36Å; K308-F316 HydrophobicContact CB-CD1 4.06Å; K308-F316 HydrophobicContact CB-CE1 3.5Å; K308-F316 HydrophobicContact CB-CE2 4.16Å; K308-F316 HydrophobicContact CB-CZ 3.57Å; K308-F316 HydrophobicContact CG-CE2 4.5Å; K308-F316 HydrophobicContact CG-CZ 4.13Å; K308-F316 PolarHBondContact N-O 3.36Å; K308-F316 WeakPolarHBondContact O-CD1 3.3Å; K308-F316 PolarHBondContact O-N 3.43Å
309P93.5Very high93.2Very high92 Ų9253.5 Ų53.560%0.59728%0.281SS*.EExtended strand (participates in β ladder)trans-63.7138.9-178.827-34.3000110.8Y315P309-Y315 HydrophobicContact CB-CD1 4.17Å; P309-Y315 HydrophobicContact CB-CE1 3.85Å
310L87.3Confident93.1Very high66 Ų6659 Ų5935%0.34631%0.306SS..  trans-109.4-175.3166.7-158.868000108.7F45 K308 Q314 F316F45-L310 HydrophobicContact CE1-CD2 4.11Å; F45-L310 HydrophobicContact CE1-CG 4.34Å; F45-L310 HydrophobicContact CZ-CD2 4.12Å; F45-L310 HydrophobicContact CZ-CG 4.24Å; K308-L310 PolarHBondContact O-N 3.32Å; L310-Q314 WeakPolarHBondContact CA-O 3.17Å; L310-Q314 HydrophobicContact CB-CB 4.12Å; L310-Q314 VanDerWaalsContact CB-O 3.32Å; L310-Q314 WeakPolarHBondContact CB-O 3.38Å; L310-Q314 HydrophobicContact CD2-CB 4.26Å; L310-Q314 PolarHBondContact N-O 3.45Å; L310-F316 HydrophobicContact CD1-CD1 4.19Å
311I85.8Confident93Very high87 Ų8760.8 Ų60.845%0.44632%0.315SS..G310 helixtrans-67.6146.1176.7-65.6172.9000110.4F45 G313 Q314F45-I311 HydrophobicContact CB-CG2 4.11Å; F45-I311 HydrophobicContact CD1-CB 3.74Å; F45-I311 HydrophobicContact CD1-CG2 3.62Å; F45-I311 HydrophobicContact CD2-CD1 3.87Å; F45-I311 HydrophobicContact CD2-CG2 4.41Å; F45-I311 HydrophobicContact CE1-CB 3.7Å; F45-I311 HydrophobicContact CE1-CG2 4.14Å; F45-I311 HydrophobicContact CE2-CB 4.46Å; F45-I311 HydrophobicContact CE2-CD1 3.77Å; F45-I311 HydrophobicContact CG-CB 4.18Å; F45-I311 HydrophobicContact CG-CD1 4.32Å; F45-I311 HydrophobicContact CG-CG2 3.8Å; F45-I311 HydrophobicContact CZ-CB 4.08Å; F45-I311 HydrophobicContact CZ-CD1 4.13Å; F45-I311 HydrophobicContact CZ-CG1 4.48Å; I311-G313 VanDerWaalsContact C-N 3.33Å; I311-G313 PolarHBondContact O-N 2.94Å; I311-Q314 PolarHBondContact O-N 2.89Å
312M83.2Confident92.9Very high67 Ų6761.9 Ų61.933%0.3332%0.321SS..G310 helixtrans56.435.1174.7-62.7-63.5165.300115.5L48 E49 Q314 M361L48-M312 HydrophobicContact CB-CB 4.5Å; L48-M312 HydrophobicContact CD2-CB 3.71Å; L48-M312 HydrophobicContact CG-CB 3.91Å; E49-M312 HydrophobicContact CB-CE 3.66Å; E49-M312 HydrophobicContact CB-CG 4.27Å; E49-M312 HydrophobicContact CB-SD 3.88Å; E49-M312 HydrophobicContact CG-CE 3.55Å; E49-M312 HydrophobicContact CG-SD 3.91Å; M312-Q314 VanDerWaalsContact C-N 3.3Å; M312-Q314 PolarHBondContact O-N 3.27Å; M312-M361 WeakPolarHBondContact O-CE 3.23Å
313G88.4Confident92.7Very high13 Ų1370.6 Ų70.613%0.13436%0.362CS..G310 helixtrans80.78.1171.400000115I311 Y315 M361 G362I311-G313 VanDerWaalsContact C-N 3.33Å; I311-G313 PolarHBondContact O-N 2.94Å; G313-Y315 WeakPolarHBondContact O-CD2 3.31Å; G313-Y315 WeakPolarHBondContact O-CE2 3.46Å; G313-M361 WeakPolarHBondContact O-CA 3.2Å; G313-G362 PolarHBondContact O-N 2.83Å
314Q91.5Very high92.6Very high2 Ų267.3 Ų67.31%0.00936%0.361CS..  trans-81.6162.7165.4-74.3-175.8-16.400111.5Y44 L48 L310 I311 M312 M361Y44-Q314 PolarHBondContact OH-NE2 3.06Å; Y44-Q314 PolarHBondContact OH-OE1 2.91Å; L48-Q314 VanDerWaalsContact CD2-CD 3.42Å; L48-Q314 HydrophobicContact CD2-CG 3.88Å; L310-Q314 WeakPolarHBondContact CA-O 3.17Å; L310-Q314 HydrophobicContact CB-CB 4.12Å; L310-Q314 VanDerWaalsContact CB-O 3.32Å; L310-Q314 WeakPolarHBondContact CB-O 3.38Å; L310-Q314 HydrophobicContact CD2-CB 4.26Å; L310-Q314 PolarHBondContact N-O 3.45Å; I311-Q314 PolarHBondContact O-N 2.89Å; M312-Q314 VanDerWaalsContact C-N 3.3Å; M312-Q314 PolarHBondContact O-N 3.27Å; Q314-M361 HydrophobicContact CG-CG 4.21Å; Q314-M361 HydrophobicContact CG-SD 4.37Å
315Y94.7Very high92.7Very high22 Ų2263.7 Ų63.79%0.08635%0.349CS..EExtended strand (participates in β ladder)trans-138.6145.2-179.3-65.7-101.2000109.5V298 Q302 K308 P309 G313 S358V298-Y315 HydrophobicContact CG1-CD2 4.42Å; V298-Y315 HydrophobicContact CG1-CE2 3.96Å; Q302-Y315 HydrophobicContact CB-CD1 3.49Å; Q302-Y315 VanDerWaalsContact CB-CD1 3.49Å; Q302-Y315 HydrophobicContact CB-CD2 4.3Å; Q302-Y315 HydrophobicContact CB-CE1 3.63Å; Q302-Y315 HydrophobicContact CB-CE2 4.42Å; Q302-Y315 HydrophobicContact CB-CG 3.87Å; Q302-Y315 VanDerWaalsContact CD-CG 3.43Å; Q302-Y315 HydrophobicContact CG-CD1 3.63Å; Q302-Y315 HydrophobicContact CG-CD2 3.48Å; Q302-Y315 VanDerWaalsContact CG-CD2 3.48Å; Q302-Y315 HydrophobicContact CG-CE1 3.85Å; Q302-Y315 HydrophobicContact CG-CE2 3.72Å; Q302-Y315 HydrophobicContact CG-CG 3.46Å; Q302-Y315 VanDerWaalsContact CG-CG 3.46Å; K308-Y315 CarbonylContact O-C 3.5Å; K308-Y315 VanDerWaalsContact O-CA 3.26Å; K308-Y315 WeakPolarHBondContact O-CA 3.36Å; P309-Y315 HydrophobicContact CB-CD1 4.17Å; P309-Y315 HydrophobicContact CB-CE1 3.85Å; G313-Y315 WeakPolarHBondContact O-CD2 3.31Å; G313-Y315 WeakPolarHBondContact O-CE2 3.46Å; Y315-S358 PolarHBondContact O-N 3.14Å
316F93.7Very high92.8Very high94 Ų9464.4 Ų64.441%0.41235%0.354SS..EExtended strand (participates in β ladder)trans-112.6148.6172.276-88.4000110.8A307 K308 L310 C356A307-F316 WeakPolarHBondContact CA-O 3.08Å; K308-F316 HydrophobicContact CB-CD1 4.06Å; K308-F316 HydrophobicContact CB-CE1 3.5Å; K308-F316 HydrophobicContact CB-CE2 4.16Å; K308-F316 HydrophobicContact CB-CZ 3.57Å; K308-F316 HydrophobicContact CG-CE2 4.5Å; K308-F316 HydrophobicContact CG-CZ 4.13Å; K308-F316 PolarHBondContact N-O 3.36Å; K308-F316 WeakPolarHBondContact O-CD1 3.3Å; K308-F316 PolarHBondContact O-N 3.43Å; L310-F316 HydrophobicContact CD1-CD1 4.19Å; F316-C356 CarbonylContact C-O 3.51Å; F316-C356 WeakPolarHBondContact CA-O 3.26Å; F316-C356 WeakPolarHBondContact CB-O 3.46Å
317V94.3Very high92.9Very high9 Ų965.2 Ų65.26%0.05535%0.347CS..EExtended strand (participates in β ladder)trans-117.2159.2172.3-65.10000109.4I305 A307 C319 L325 I345 C356I305-V317 HydrophobicContact CD1-CG1 4.31Å; A307-V317 HydrophobicContact CB-CG1 3.57Å; V317-C319 PolarHBondContact O-N 2.94Å; V317-L325 HydrophobicContact CG1-CD1 4.43Å; V317-L325 HydrophobicContact CG2-CD1 4.44Å; V317-I345 HydrophobicContact CG1-CD1 4.13Å; V317-I345 HydrophobicContact CG2-CD1 3.7Å; V317-I345 HydrophobicContact CG2-CG1 4.16Å; V317-I345 HydrophobicContact CG2-CG2 3.74Å; V317-C356 HydrophobicContact CG2-CB 3.66Å; V317-C356 PolarHBondContact N-O 3.43Å
318D92.6Very high93Very high79 Ų7964.9 Ų64.942%0.42234%0.344SS..  trans-68121.8168.6-172-8.7000109.2D320 K321D318-D320 PolarHBondContact O-N 3.41Å; D318-D320 PolarHBondContact OD1-N 2.89Å; D318-K321 HydrophobicContact CB-CB 4.3Å; D318-K321 HydrophobicContact CB-CD 3.96Å; D318-K321 HydrophobicContact CB-CG 3.97Å; D318-K321 PolarHBondContact O-N 3.25Å
319C93.9Very high93.2Very high19 Ų1959.3 Ų59.313%0.12832%0.321CS..G310 helixtrans-61.7-24.5-177.8-70.70000113.1V317 K321 I322 F355 C356V317-C319 PolarHBondContact O-N 2.94Å; C319-K321 PolarHBondContact O-N 2.89Å; C319-I322 WeakPolarHBondContact O-CD1 3.37Å; C319-I322 WeakPolarHBondContact O-CG1 3.44Å; C319-F355 VanDerWaalsContact SG-C 3.56Å; C319-C356 WeakPolarHBondContact CA-SG 3.22Å; C319-C356 HydrophobicContact CB-CB 4.12Å; C319-C356 WeakPolarHBondContact CB-SG 3.5Å; C319-C356 WeakPolarHBondContact SG-CB 3.38Å; C319-C356 PolarHBondContact SG-N 3.18Å; C319-C356 CovalentContact SG-SG 2.04Å; C319-C356 PolarHBondContact SG-SG 3.46Å
320D93.6Very high93.4Very high152 Ų15254.9 Ų54.981%0.81329%0.292SS*.G310 helixtrans-80.3-6.2-179.9-61.9-23.7000112.3D318D318-D320 PolarHBondContact O-N 3.41Å; D318-D320 PolarHBondContact OD1-N 2.89Å
321K93.2Very high93.9Very high123 Ų12352.6 Ų52.654%0.53528%0.281SS..G310 helixtrans-106.21.9-177.7-64.1-173.3-177.81760114.4D318 C319 E323 A324 L325D318-K321 HydrophobicContact CB-CB 4.3Å; D318-K321 HydrophobicContact CB-CD 3.96Å; D318-K321 HydrophobicContact CB-CG 3.97Å; D318-K321 PolarHBondContact O-N 3.25Å; C319-K321 PolarHBondContact O-N 2.89Å; K321-E323 VanDerWaalsContact C-N 3.34Å; K321-E323 PolarHBondContact O-N 2.93Å; K321-A324 PolarHBondContact O-N 2.87Å; K321-L325 WeakPolarHBondContact O-CG 3.48Å; K321-L325 PolarHBondContact O-N 3.17Å
322I94.4Very high94.5Very high23 Ų2348.5 Ų48.512%0.11826%0.26CS..G310 helixtrans-53.4-51-174.7-65.1173.5000111.1C319 A324 L325 P341 E342 I345C319-I322 WeakPolarHBondContact O-CD1 3.37Å; C319-I322 WeakPolarHBondContact O-CG1 3.44Å; I322-A324 PolarHBondContact O-N 3.11Å; I322-L325 WeakPolarHBondContact O-CB 3.12Å; I322-L325 PolarHBondContact O-N 2.6Å; I322-P341 HydrophobicContact CG2-CB 3.82Å; I322-P341 WeakPolarHBondContact O-CB 3.39Å; I322-E342 HydrophobicContact CG2-CG 4.47Å; I322-I345 HydrophobicContact CD1-CG2 3.9Å; I322-I345 HydrophobicContact CG1-CG2 4.02Å
323E93.2Very high95Very high183 Ų18347.4 Ų47.486%0.85526%0.261SS*.G310 helixtrans-62.2-18.3-178.6-61.5-179.3-178.600113.7K321K321-E323 VanDerWaalsContact C-N 3.34Å; K321-E323 PolarHBondContact O-N 2.93Å
324A95.2Very high95.2Very high88 Ų8853.9 Ų53.973%0.72729%0.293SS*.G310 helixtrans-97.6-4.6178.900000113.3K321 I322K321-A324 PolarHBondContact O-N 2.87Å; I322-A324 PolarHBondContact O-N 3.11Å
325L96.9Very high95.4Very high21 Ų2157.9 Ų57.911%0.1131%0.308CS..SBendtrans-73.2149.9176.6-57179.5000110.1I305 V317 K321 I322 P341 Y344 I345I305-L325 HydrophobicContact CB-CD2 4.3Å; I305-L325 WeakPolarHBondContact O-CD2 3.18Å; V317-L325 HydrophobicContact CG1-CD1 4.43Å; V317-L325 HydrophobicContact CG2-CD1 4.44Å; K321-L325 WeakPolarHBondContact O-CG 3.48Å; K321-L325 PolarHBondContact O-N 3.17Å; I322-L325 WeakPolarHBondContact O-CB 3.12Å; I322-L325 PolarHBondContact O-N 2.6Å; L325-P341 HydrophobicContact CB-CB 4.06Å; L325-P341 HydrophobicContact CB-CG 3.94Å; L325-P341 WeakPolarHBondContact O-CG 3.44Å; L325-Y344 WeakPolarHBondContact CB-OH 3.5Å; L325-Y344 HydrophobicContact CD1-CE2 4.24Å; L325-I345 HydrophobicContact CD1-CD1 3.88Å; L325-I345 HydrophobicContact CD1-CG1 3.61Å
326P97.5Very high95.5Very high28 Ų2860.1 Ų60.118%0.18232%0.321CS..PPolyproline II helixtrans-79.6162-177.734.6-37.5000111.8I269 Y304 I305 Y344I269-P326 HydrophobicContact CD1-CG 4.43Å; I269-P326 HydrophobicContact CG2-CB 3.53Å; I269-P326 HydrophobicContact CG2-CG 3.49Å; I269-P326 VanDerWaalsContact CG2-CG 3.49Å; Y304-P326 HydrophobicContact CD1-CG 4.14Å; Y304-P326 HydrophobicContact CE1-CG 4.05Å; I305-P326 HydrophobicContact CG2-CG 3.89Å; P326-Y344 WeakPolarHBondContact O-CE1 3.02Å; P326-Y344 PolarHBondContact O-OH 2.95Å
327N97.8Very high95.7Very high67 Ų6755.8 Ų55.836%0.35830%0.302SS..PPolyproline II helixtrans-69.9141.2167.2-75-0.2000110.8T338 L339N327-T338 HydrophobicContact CB-CG2 3.57Å; N327-L339 WeakPolarHBondContact CA-O 3.25Å
328I98.3Very high95.9Very high0 Ų057.6 Ų57.60%031%0.313CS..EExtended strand (participates in β ladder)trans-117.1117.9177.9-53.2-179.7000108.7I267 I269 I301 I305 L339 Y344 F360I267-I328 HydrophobicContact CG2-CG2 3.59Å; I269-I328 HydrophobicContact CD1-CD1 4.17Å; I269-I328 HydrophobicContact CD1-CG1 3.9Å; I269-I328 HydrophobicContact CG1-CB 4.45Å; I269-I328 HydrophobicContact CG1-CG1 3.99Å; I269-I328 HydrophobicContact CG1-CG2 4.25Å; I301-I328 HydrophobicContact CG2-CD1 3.98Å; I305-I328 HydrophobicContact CG2-CD1 4.33Å; I328-L339 PolarHBondContact N-O 2.82Å; I328-L339 PolarHBondContact O-N 3.43Å; I328-Y344 HydrophobicContact CB-CE1 4.47Å; I328-Y344 HydrophobicContact CD1-CD1 4.19Å; I328-Y344 HydrophobicContact CD1-CD2 4.14Å; I328-Y344 HydrophobicContact CD1-CE1 3.89Å; I328-Y344 HydrophobicContact CD1-CE2 3.88Å; I328-Y344 HydrophobicContact CD1-CG 4.32Å; I328-Y344 HydrophobicContact CG1-CD1 4.34Å; I328-Y344 HydrophobicContact CG1-CE1 3.83Å; I328-F360 HydrophobicContact CB-CZ 4.42Å; I328-F360 HydrophobicContact CD1-CD2 4.34Å; I328-F360 HydrophobicContact CD1-CE2 3.68Å; I328-F360 HydrophobicContact CD1-CZ 4.13Å; I328-F360 HydrophobicContact CG2-CE2 4.46Å; I328-F360 HydrophobicContact CG2-CZ 3.87Å
329S98.3Very high96.1Very high10 Ų1053.8 Ų53.87%0.0729%0.293CS..EExtended strand (participates in β ladder)trans-106.1128-177.9-54.60000111.7I267 K268 F337 T338I267-S329 CarbonylContact C-O 3.54Å; I267-S329 WeakPolarHBondContact CA-O 3.37Å; K268-S329 PolarHBondContact N-O 3Å; K268-S329 PolarHBondContact O-N 3.43Å; S329-F337 WeakPolarHBondContact CA-O 3.42Å; S329-T338 PolarHBondContact OG-OG1 2.85Å
330L98.3Very high96.3Very high0 Ų058.4 Ų58.40%031%0.313CS..EExtended strand (participates in β ladder)trans-92.8127.6169.1-6878000108.4M264 I267 I332 F337 L339 L375 F379M264-L330 HydrophobicContact SD-CB 3.95Å; M264-L330 HydrophobicContact SD-CD2 3.83Å; M264-L330 HydrophobicContact SD-CG 4.13Å; I267-L330 HydrophobicContact CG1-CG 4.36Å; L330-I332 HydrophobicContact CB-CD1 4.43Å; L330-F337 HydrophobicContact CB-CB 4.46Å; L330-F337 PolarHBondContact N-O 2.8Å; L330-F337 WeakPolarHBondContact O-CB 3.26Å; L330-F337 PolarHBondContact O-N 3.46Å; L330-L339 HydrophobicContact CD1-CD1 3.79Å; L330-L339 HydrophobicContact CD1-CG 4.13Å; L330-L375 HydrophobicContact CD2-CD1 4.05Å; L330-L375 HydrophobicContact CD2-CD2 3.62Å; L330-F379 HydrophobicContact CB-CE2 4.31Å; L330-F379 HydrophobicContact CD1-CD2 4.36Å; L330-F379 HydrophobicContact CD1-CE2 4.39Å; L330-F379 HydrophobicContact CD2-CD2 3.9Å; L330-F379 HydrophobicContact CD2-CE2 3.93Å; L330-F379 HydrophobicContact CG-CE2 4.45Å
331V97.6Very high96.4Very high18 Ų1851.5 Ų51.511%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-97.3105-176.4-170.80000109.4M264 S265 G266 K268 R335M264-V331 WeakPolarHBondContact CG-O 3.4Å; S265-V331 PolarHBondContact N-O 3.32Å; G266-V331 PolarHBondContact O-N 2.87Å; K268-V331 HydrophobicContact CD-CG2 4.33Å; K268-V331 HydrophobicContact CG-CG2 4.39Å; V331-R335 WeakPolarHBondContact CA-O 3.47Å
332I98Very high96.4Very high1 Ų150.5 Ų50.51%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-126.5130.4-176.8-54.9165.3000108.3V252 F262 M264 L330 N334 R335 F337 L375 F379 F396V252-I332 HydrophobicContact CB-CG2 4.08Å; V252-I332 HydrophobicContact CG1-CG2 3.95Å; V252-I332 HydrophobicContact CG2-CG2 4.29Å; F262-I332 HydrophobicContact CD2-CG2 3.94Å; F262-I332 HydrophobicContact CE2-CD1 3.81Å; F262-I332 HydrophobicContact CE2-CG1 4.03Å; F262-I332 HydrophobicContact CE2-CG2 3.75Å; F262-I332 HydrophobicContact CZ-CD1 4.23Å; M264-I332 HydrophobicContact CB-CG1 4.47Å; M264-I332 HydrophobicContact CG-CG1 3.98Å; M264-I332 HydrophobicContact SD-CG1 4.27Å; L330-I332 HydrophobicContact CB-CD1 4.43Å; I332-N334 PolarHBondContact O-N 2.92Å; I332-R335 PolarHBondContact N-O 3.47Å; I332-R335 PolarHBondContact O-N 3.19Å; I332-F337 HydrophobicContact CB-CD2 3.86Å; I332-F337 HydrophobicContact CB-CE2 3.79Å; I332-F337 HydrophobicContact CD1-CD2 4.08Å; I332-F337 HydrophobicContact CG1-CD2 4.21Å; I332-L375 HydrophobicContact CD1-CD1 4.19Å; I332-F379 HydrophobicContact CD1-CE2 4.35Å; I332-F379 HydrophobicContact CD1-CZ 3.8Å; I332-F396 HydrophobicContact CD1-CD2 4.48Å; I332-F396 HydrophobicContact CD1-CE2 4.24Å; I332-F396 HydrophobicContact CG2-CD2 4.24Å; I332-F396 HydrophobicContact CG2-CE2 4.06Å
333A94.4Very high96.4Very high43 Ų4350 Ų5036%0.35527%0.273SS..THydrogen-bonded Turntrans49.641-177.200000113.8V252 R335V252-A333 HydrophobicContact CB-CB 4.26Å; A333-R335 PolarHBondContact O-N 3.3Å
334N91.9Very high96.5Very high150 Ų15041.2 Ų41.280%0.80223%0.232SC*.THydrogen-bonded Turntrans6020.9-176.5-55.2-42000115.1I332I332-N334 PolarHBondContact O-N 2.92Å
335R96Very high96.5Very high86 Ų8637.6 Ų37.633%0.32520%0.2SC..EExtended strand (participates in β ladder)trans-117.6141.8173-178174.6-180159.4-3.3110.4D248 S250 V331 I332 A333 F337D248-R335 PolarHBondContact O-NH1 3.23Å; S250-R335 WeakPolarHBondContact OG-CD 3.31Å; S250-R335 PolarHBondContact OG-NH1 3.46Å; V331-R335 WeakPolarHBondContact CA-O 3.47Å; I332-R335 PolarHBondContact N-O 3.47Å; I332-R335 PolarHBondContact O-N 3.19Å; A333-R335 PolarHBondContact O-N 3.3Å; R335-F337 HydrophobicContact CB-CE2 3.94Å; R335-F337 HydrophobicContact CB-CZ 4.42Å; R335-F337 HydrophobicContact CG-CE2 4.08Å; R335-F337 HydrophobicContact CG-CZ 4.25Å; R335-F337 WeakPolarHBondContact O-CD2 3.43Å
336D97Very high96.1Very high69 Ų6939.3 Ų39.337%0.36921%0.208SC..EExtended strand (participates in β ladder)trans-82.3122.5173-67.1-19000110.6K268K268-D336 WeakPolarHBondContact CE-OD1 3.47Å; K268-D336 WeakPolarHBondContact CE-OD2 3.34Å; K268-D336 VanDerWaalsContact NZ-CG 3.29Å; K268-D336 IonicContact NZ-OD1 3.24Å; K268-D336 PolarHBondContact NZ-OD1 2.91Å; K268-D336 IonicContact NZ-OD2 2.67Å; K268-D336 PolarHBondContact NZ-OD2 3.09Å
337F98.1Very high95.7Very high2 Ų244.1 Ų44.11%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-105.688.2169.9-67.9-87.2000108.5S329 L330 I332 R335 F379 Y383 F396S329-F337 WeakPolarHBondContact CA-O 3.42Å; L330-F337 HydrophobicContact CB-CB 4.46Å; L330-F337 PolarHBondContact N-O 2.8Å; L330-F337 WeakPolarHBondContact O-CB 3.26Å; L330-F337 PolarHBondContact O-N 3.46Å; I332-F337 HydrophobicContact CB-CD2 3.86Å; I332-F337 HydrophobicContact CB-CE2 3.79Å; I332-F337 HydrophobicContact CD1-CD2 4.08Å; I332-F337 HydrophobicContact CG1-CD2 4.21Å; R335-F337 HydrophobicContact CB-CE2 3.94Å; R335-F337 HydrophobicContact CB-CZ 4.42Å; R335-F337 HydrophobicContact CG-CE2 4.08Å; R335-F337 HydrophobicContact CG-CZ 4.25Å; R335-F337 WeakPolarHBondContact O-CD2 3.43Å; F337-F379 HydrophobicContact CB-CE2 3.81Å; F337-F379 HydrophobicContact CB-CZ 3.98Å; F337-F379 HydrophobicContact CD1-CZ 4.3Å; F337-F379 HydrophobicContact CG-CE2 4.45Å; F337-F379 HydrophobicContact CG-CZ 4.12Å; F337-Y383 WeakPolarHBondContact CA-OH 3.15Å; F337-Y383 HydrophobicContact CB-CD2 4.27Å; F337-Y383 HydrophobicContact CB-CE1 4.42Å; F337-Y383 HydrophobicContact CB-CE2 3.66Å; F337-Y383 AromaticContact CD1-CD1 3.64Å; F337-Y383 HydrophobicContact CD1-CD1 3.64Å; F337-Y383 HydrophobicContact CD1-CD2 4.1Å; F337-Y383 AromaticContact CD1-CE1 3.64Å; F337-Y383 HydrophobicContact CD1-CE1 3.64Å; F337-Y383 HydrophobicContact CD1-CE2 4.07Å; F337-Y383 AromaticContact CD1-CG 3.88Å; F337-Y383 HydrophobicContact CD1-CG 3.88Å; F337-Y383 AromaticContact CD1-CZ 3.85Å; F337-Y383 HydrophobicContact CE1-CD1 4.21Å; F337-Y383 HydrophobicContact CE1-CE1 4.46Å; F337-Y383 HydrophobicContact CG-CE2 4.37Å; F337-F396 HydrophobicContact CD1-CB 4.14Å; F337-F396 HydrophobicContact CE1-CB 3.32Å; F337-F396 HydrophobicContact CE1-CG 4.34Å; F337-F396 HydrophobicContact CZ-CB 3.55Å; F337-F396 HydrophobicContact CZ-CD2 4.39Å; F337-F396 HydrophobicContact CZ-CG 4.38Å
338T97.9Very high94.9Very high47 Ų4742.7 Ų42.729%0.28822%0.218SC..EExtended strand (participates in β ladder)trans-80.6117.3-176.6-54.40000114.5N327 S329 Y383N327-T338 HydrophobicContact CB-CG2 3.57Å; S329-T338 PolarHBondContact OG-OG1 2.85Å; T338-Y383 WeakPolarHBondContact CA-OH 3.36Å; T338-Y383 PolarHBondContact N-OH 2.81Å; T338-Y383 PolarHBondContact O-OH 2.84Å
339L97.9Very high94.1Very high0 Ų046.8 Ų46.80%024%0.243CC..EExtended strand (participates in β ladder)trans-90.7122.1169-55.1175.8000110I291 N327 I328 L330 A343 Y344 F360 V378 F379 T382 Y383I291-L339 HydrophobicContact CD1-CD1 3.42Å; I291-L339 VanDerWaalsContact CD1-CD1 3.42Å; N327-L339 WeakPolarHBondContact CA-O 3.25Å; I328-L339 PolarHBondContact N-O 2.82Å; I328-L339 PolarHBondContact O-N 3.43Å; L330-L339 HydrophobicContact CD1-CD1 3.79Å; L330-L339 HydrophobicContact CD1-CG 4.13Å; L339-A343 HydrophobicContact CB-CB 4.34Å; L339-A343 HydrophobicContact CD2-CB 4.41Å; L339-Y344 HydrophobicContact CB-CD1 3.85Å; L339-F360 HydrophobicContact CD1-CE2 4.37Å; L339-F360 HydrophobicContact CD1-CZ 4.05Å; L339-V378 HydrophobicContact CD1-CG1 4.49Å; L339-F379 HydrophobicContact CD2-CD2 4.36Å; L339-T382 HydrophobicContact CD2-CG2 3.89Å; L339-Y383 HydrophobicContact CD2-CE2 3.87Å
340E96.9Very high93Very high115 Ų11547.4 Ų47.454%0.53725%0.245SC..PPolyproline II helixtrans-75.6158.4169-63-173.116500111E342 A343 Y344E340-E342 PolarHBondContact O-N 2.78Å; E340-E342 VanDerWaalsContact O-N 3.14Å; E340-A343 WeakPolarHBondContact O-CA 3.24Å; E340-A343 VanDerWaalsContact O-CB 3.26Å; E340-A343 WeakPolarHBondContact O-CB 3.49Å; E340-A343 PolarHBondContact O-N 2.88Å; E340-Y344 WeakPolarHBondContact O-CD1 3.34Å; E340-Y344 WeakPolarHBondContact O-CE1 3.46Å; E340-Y344 PolarHBondContact O-N 3.34Å
341P96.7Very high92Very high8 Ų856.2 Ų56.25%0.05228%0.284CS..Hα-helixtrans-48.5-41.4-178.8-31.839.1000114.9I322 L325 A343 Y344 I345I322-P341 HydrophobicContact CG2-CB 3.82Å; I322-P341 WeakPolarHBondContact O-CB 3.39Å; L325-P341 HydrophobicContact CB-CB 4.06Å; L325-P341 HydrophobicContact CB-CG 3.94Å; L325-P341 WeakPolarHBondContact O-CG 3.44Å; P341-A343 VanDerWaalsContact C-N 3.25Å; P341-A343 PolarHBondContact O-N 2.78Å; P341-Y344 VanDerWaalsContact CA-CE1 3.41Å; P341-Y344 HydrophobicContact CB-CE1 4.43Å; P341-Y344 HydrophobicContact CG-CE1 4.41Å; P341-Y344 PolarHBondContact O-N 2.89Å; P341-I345 VanDerWaalsContact O-CB 3.31Å; P341-I345 WeakPolarHBondContact O-CB 3.41Å; P341-I345 WeakPolarHBondContact O-CG1 3.17Å; P341-I345 PolarHBondContact O-N 3.02Å
342E93.4Very high91.2Very high101 Ų10158.9 Ų58.947%0.47231%0.314SS..Hα-helixtrans-69.4-24.1-180-62.470.1-152.500112.4I322 E340I322-E342 HydrophobicContact CG2-CG 4.47Å; E340-E342 PolarHBondContact O-N 2.78Å; E340-E342 VanDerWaalsContact O-N 3.14Å
343A94.1Very high90.5Very high12 Ų1266 Ų6610%0.09935%0.345CS..Hα-helixtrans-74.4-43.3176.100000111.1R225 L339 E340 P341 T382R225-A343 PolarHBondContact NH2-O 3.11Å; L339-A343 HydrophobicContact CB-CB 4.34Å; L339-A343 HydrophobicContact CD2-CB 4.41Å; E340-A343 WeakPolarHBondContact O-CA 3.24Å; E340-A343 VanDerWaalsContact O-CB 3.26Å; E340-A343 WeakPolarHBondContact O-CB 3.49Å; E340-A343 PolarHBondContact O-N 2.88Å; P341-A343 VanDerWaalsContact C-N 3.25Å; P341-A343 PolarHBondContact O-N 2.78Å; A343-T382 HydrophobicContact CB-CG2 4.44Å
344Y95.6Very high90.1Very high0 Ų066.3 Ų66.30%035%0.345CS..Hα-helixtrans-102.8-1.4-173.771.7-102.7000115.2I305 L325 P326 I328 L339 E340 P341 G359 F360I305-Y344 HydrophobicContact CD1-CE2 4.2Å; L325-Y344 WeakPolarHBondContact CB-OH 3.5Å; L325-Y344 HydrophobicContact CD1-CE2 4.24Å; P326-Y344 WeakPolarHBondContact O-CE1 3.02Å; P326-Y344 PolarHBondContact O-OH 2.95Å; I328-Y344 HydrophobicContact CB-CE1 4.47Å; I328-Y344 HydrophobicContact CD1-CD1 4.19Å; I328-Y344 HydrophobicContact CD1-CD2 4.14Å; I328-Y344 HydrophobicContact CD1-CE1 3.89Å; I328-Y344 HydrophobicContact CD1-CE2 3.88Å; I328-Y344 HydrophobicContact CD1-CG 4.32Å; I328-Y344 HydrophobicContact CG1-CD1 4.34Å; I328-Y344 HydrophobicContact CG1-CE1 3.83Å; L339-Y344 HydrophobicContact CB-CD1 3.85Å; E340-Y344 WeakPolarHBondContact O-CD1 3.34Å; E340-Y344 WeakPolarHBondContact O-CE1 3.46Å; E340-Y344 PolarHBondContact O-N 3.34Å; P341-Y344 VanDerWaalsContact CA-CE1 3.41Å; P341-Y344 HydrophobicContact CB-CE1 4.43Å; P341-Y344 HydrophobicContact CG-CE1 4.41Å; P341-Y344 PolarHBondContact O-N 2.89Å; Y344-G359 WeakPolarHBondContact O-CA 3.43Å; Y344-G359 PolarHBondContact O-N 2.87Å; Y344-F360 HydrophobicContact CD2-CD2 4.39Å; Y344-F360 HydrophobicContact CD2-CE2 4.23Å; Y344-F360 AromaticContact CG-CE2 3.99Å; Y344-F360 HydrophobicContact CG-CE2 3.99Å
345I94.9Very high89.9Confident11 Ų1164 Ų646%0.05633%0.328CS..EExtended strand (participates in β ladder)trans-108.5124.9170.2-59.8-56.3000110.6V317 I322 L325 P341 C356V317-I345 HydrophobicContact CG1-CD1 4.13Å; V317-I345 HydrophobicContact CG2-CD1 3.7Å; V317-I345 HydrophobicContact CG2-CG1 4.16Å; V317-I345 HydrophobicContact CG2-CG2 3.74Å; I322-I345 HydrophobicContact CD1-CG2 3.9Å; I322-I345 HydrophobicContact CG1-CG2 4.02Å; L325-I345 HydrophobicContact CD1-CD1 3.88Å; L325-I345 HydrophobicContact CD1-CG1 3.61Å; P341-I345 VanDerWaalsContact O-CB 3.31Å; P341-I345 WeakPolarHBondContact O-CB 3.41Å; P341-I345 WeakPolarHBondContact O-CG1 3.17Å; P341-I345 PolarHBondContact O-N 3.02Å; I345-C356 HydrophobicContact CG2-CB 3.76Å
346M88.6Confident89.7Confident58 Ų5860 Ų6029%0.28631%0.313SS..EExtended strand (participates in β ladder)trans-97.6113.3175.9-58.6175.8-68.900110.2L290 C356 I357L290-M346 HydrophobicContact CD2-CE 3.28Å; L290-M346 HydrophobicContact CD2-SD 3.75Å; M346-C356 WeakPolarHBondContact O-CA 3.26Å; M346-I357 HydrophobicContact CE-CB 4.06Å; M346-I357 HydrophobicContact CE-CG2 3.78Å; M346-I357 PolarHBondContact N-O 3.15Å; M346-I357 PolarHBondContact O-N 3.05Å
347K87.3Confident89.4Confident128 Ų12857.2 Ų57.256%0.55730%0.298SS*.EExtended strand (participates in β ladder)trans-88122.6174.4-174.5172-176172.90110.8S354K347-S354 WeakPolarHBondContact CE-OG 3.04Å
348M81.2Confident89.3Confident38 Ų3857.1 Ų57.119%0.18730%0.298CS..EExtended strand (participates in β ladder)trans-118.2126.4177.3-61.9-166.96700110.1Q33 L36 S354 F355 I357Q33-M348 HydrophobicContact CB-CE 4.32Å; Q33-M348 HydrophobicContact CG-CE 4.35Å; L36-M348 HydrophobicContact CB-CE 3.5Å; L36-M348 VanDerWaalsContact CB-CE 3.5Å; L36-M348 HydrophobicContact CB-SD 4.15Å; L36-M348 HydrophobicContact CD1-CE 3.77Å; L36-M348 HydrophobicContact CD1-SD 3.41Å; L36-M348 WeakPolarHBondContact CD1-SD 3.41Å; L36-M348 HydrophobicContact CG-CE 4.29Å; L36-M348 HydrophobicContact CG-SD 4.41Å; M348-S354 CarbonylContact O-C 3.56Å; M348-S354 VanDerWaalsContact O-CA 3.31Å; M348-S354 WeakPolarHBondContact O-CA 3.44Å; M348-F355 PolarHBondContact N-O 3.5Å; M348-F355 PolarHBondContact O-N 3.18Å; M348-I357 HydrophobicContact SD-CD1 4.14Å
349T81.4Confident89.1Confident86 Ų8654.9 Ų54.953%0.52828%0.284SS..EExtended strand (participates in β ladder)trans-105.6123178.2-58.80000110.7K353 S354T349-K353 CarbonylContact C-O 3.56Å; T349-K353 WeakPolarHBondContact CA-O 3.46Å; T349-S354 PolarHBondContact OG1-OG 3.42Å
350Q75Confident89Confident22 Ų2254.9 Ų54.910%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-132.5125.3179.6-169.7-172.76.100110L36 R37 G352 K353 F355L36-Q350 VanDerWaalsContact O-CD 3.3Å; L36-Q350 PolarHBondContact O-NE2 3.16Å; L36-Q350 PolarHBondContact O-OE1 3.39Å; R37-Q350 WeakPolarHBondContact O-CG 3.2Å; R37-Q350 PolarHBondContact O-NE2 2.99Å; R37-Q350 VanDerWaalsContact O-NE2 3.08Å; Q350-G352 PolarHBondContact O-N 3.2Å; Q350-G352 VanDerWaalsContact O-N 3.09Å; Q350-K353 PolarHBondContact N-O 2.03Å; Q350-K353 PolarHBondContact O-N 2.93Å; Q350-F355 HydrophobicContact CB-CE2 4.39Å
351F78.2Confident88.9Confident186 Ų18649.5 Ų49.582%0.81626%0.259SS*.THydrogen-bonded Turntrans4838.9-179.8-54.7-61.3000113.4K353F351-K353 VanDerWaalsContact C-N 3.28Å; F351-K353 PolarHBondContact O-N 2.81Å
352G80.5Confident88.8Confident73 Ų7349.3 Ų49.375%0.75326%0.258SS*.THydrogen-bonded Turntrans78.3-0-178.600000115.7Q350Q350-G352 PolarHBondContact O-N 3.2Å; Q350-G352 VanDerWaalsContact O-N 3.09Å
353K82.8Confident88.6Confident150 Ų15044.7 Ų44.765%0.65224%0.237SC*.EExtended strand (participates in β ladder)trans-103.6134.6173-68-172176.5-1750110.7T349 Q350 F351 F355T349-K353 CarbonylContact C-O 3.56Å; T349-K353 WeakPolarHBondContact CA-O 3.46Å; Q350-K353 PolarHBondContact N-O 2.03Å; Q350-K353 PolarHBondContact O-N 2.93Å; F351-K353 VanDerWaalsContact C-N 3.28Å; F351-K353 PolarHBondContact O-N 2.81Å; K353-F355 HydrophobicContact CB-CE2 4.09Å; K353-F355 HydrophobicContact CB-CZ 4.42Å
354S87Confident88.2Confident50 Ų5048.4 Ų48.435%0.3526%0.255SS..EExtended strand (participates in β ladder)trans-91.6138173.3-66.10000110.6K347 M348 T349K347-S354 WeakPolarHBondContact CE-OG 3.04Å; M348-S354 CarbonylContact O-C 3.56Å; M348-S354 VanDerWaalsContact O-CA 3.31Å; M348-S354 WeakPolarHBondContact O-CA 3.44Å; T349-S354 PolarHBondContact OG1-OG 3.42Å
355F86.7Confident87.6Confident103 Ų10350 Ų5045%0.45226%0.263SS..EExtended strand (participates in β ladder)trans-122.6131.7169.4-61.5-87.1000107.9C319 M348 Q350 K353C319-F355 VanDerWaalsContact SG-C 3.56Å; M348-F355 PolarHBondContact N-O 3.5Å; M348-F355 PolarHBondContact O-N 3.18Å; Q350-F355 HydrophobicContact CB-CE2 4.39Å; K353-F355 HydrophobicContact CB-CE2 4.09Å; K353-F355 HydrophobicContact CB-CZ 4.42Å
356C92.1Very high87Confident1 Ų150 Ų501%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-115114.7-176.5-68.20000109.5F316 V317 C319 I345 M346F316-C356 CarbonylContact C-O 3.51Å; F316-C356 WeakPolarHBondContact CA-O 3.26Å; F316-C356 WeakPolarHBondContact CB-O 3.46Å; V317-C356 HydrophobicContact CG2-CB 3.66Å; V317-C356 PolarHBondContact N-O 3.43Å; C319-C356 WeakPolarHBondContact CA-SG 3.22Å; C319-C356 HydrophobicContact CB-CB 4.12Å; C319-C356 WeakPolarHBondContact CB-SG 3.5Å; C319-C356 WeakPolarHBondContact SG-CB 3.38Å; C319-C356 PolarHBondContact SG-N 3.18Å; C319-C356 CovalentContact SG-SG 2.04Å; C319-C356 PolarHBondContact SG-SG 3.46Å; I345-C356 HydrophobicContact CG2-CB 3.76Å; M346-C356 WeakPolarHBondContact O-CA 3.26Å
357I91.4Very high86.8Confident11 Ų1156.8 Ų56.86%0.05629%0.292CS..EExtended strand (participates in β ladder)trans-104.1134.2-176.5-60.6176.9000108.1L36 M346 M348L36-I357 HydrophobicContact CD1-CD1 4.04Å; M346-I357 HydrophobicContact CE-CB 4.06Å; M346-I357 HydrophobicContact CE-CG2 3.78Å; M346-I357 PolarHBondContact N-O 3.15Å; M346-I357 PolarHBondContact O-N 3.05Å; M348-I357 HydrophobicContact SD-CD1 4.14Å
358S95.2Very high86.5Confident0 Ų057 Ų570%029%0.294CS..EExtended strand (participates in β ladder)trans-67.1134.7172.4-175.20000110.4Q302 Y315 F360Q302-S358 PolarHBondContact NE2-OG 3.33Å; Q302-S358 PolarHBondContact OE1-OG 2.59Å; Y315-S358 PolarHBondContact O-N 3.14Å; S358-F360 PolarHBondContact O-N 2.69Å; S358-F360 PolarHBondContact OG-N 3.36Å
359G94.3Very high86.6Confident0 Ų055.3 Ų55.30%029%0.286CS..SBendtrans-67.1-8.417100000113.2L290 I291 Y344L290-G359 WeakPolarHBondContact CB-O 3.34Å; I291-G359 PolarHBondContact N-O 3.23Å; Y344-G359 WeakPolarHBondContact O-CA 3.43Å; Y344-G359 PolarHBondContact O-N 2.87Å
360F96.1Very high86.7Confident0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-96.4128.9174.5-69.8-95000111.3I291 V298 I301 Q302 I328 L339 Y344 S358 W373I291-F360 HydrophobicContact CB-CD1 3.97Å; I291-F360 HydrophobicContact CB-CE1 4.13Å; I291-F360 HydrophobicContact CB-CG 4.45Å; I291-F360 HydrophobicContact CD1-CE1 3.96Å; I291-F360 HydrophobicContact CD1-CE2 4.3Å; I291-F360 HydrophobicContact CD1-CZ 3.83Å; I291-F360 HydrophobicContact CG2-CD1 3.66Å; I291-F360 HydrophobicContact CG2-CE1 3.66Å; I291-F360 CarbonylContact O-C 3.51Å; I291-F360 VanDerWaalsContact O-CA 3.28Å; I291-F360 WeakPolarHBondContact O-CA 3.21Å; V298-F360 HydrophobicContact CG1-CB 4.31Å; I301-F360 HydrophobicContact CD1-CD1 4.4Å; I301-F360 HydrophobicContact CD1-CE1 4.43Å; Q302-F360 VanDerWaalsContact NE2-CB 3.35Å; Q302-F360 PolarHBondContact NE2-O 2.98Å; I328-F360 HydrophobicContact CB-CZ 4.42Å; I328-F360 HydrophobicContact CD1-CD2 4.34Å; I328-F360 HydrophobicContact CD1-CE2 3.68Å; I328-F360 HydrophobicContact CD1-CZ 4.13Å; I328-F360 HydrophobicContact CG2-CE2 4.46Å; I328-F360 HydrophobicContact CG2-CZ 3.87Å; L339-F360 HydrophobicContact CD1-CE2 4.37Å; L339-F360 HydrophobicContact CD1-CZ 4.05Å; Y344-F360 HydrophobicContact CD2-CD2 4.39Å; Y344-F360 HydrophobicContact CD2-CE2 4.23Å; Y344-F360 AromaticContact CG-CE2 3.99Å; Y344-F360 HydrophobicContact CG-CE2 3.99Å; S358-F360 PolarHBondContact O-N 2.69Å; S358-F360 PolarHBondContact OG-N 3.36Å; F360-W373 HydrophobicContact CD1-CZ3 4.06Å; F360-W373 HydrophobicContact CE1-CZ3 4.38Å
361M93.9Very high87.5Confident1 Ų155.8 Ų55.81%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-127.3130.9-178.7-176.1-175.9175.900111.7L48 W51 T52 L290 I291 A292 G293 M312 G313 Q314L48-M361 HydrophobicContact CD1-CE 3.41Å; L48-M361 VanDerWaalsContact CD1-CE 3.41Å; L48-M361 HydrophobicContact CD1-SD 3.92Å; L48-M361 HydrophobicContact CD2-CE 4.12Å; L48-M361 HydrophobicContact CG-CE 3.72Å; W51-M361 HydrophobicContact CE3-CE 4.06Å; W51-M361 HydrophobicContact CE3-SD 4.24Å; W51-M361 HydrophobicContact CH2-SD 4.34Å; W51-M361 HydrophobicContact CZ3-CE 3.83Å; W51-M361 HydrophobicContact CZ3-SD 3.59Å; W51-M361 VanDerWaalsContact CZ3-SD 3.59Å; T52-M361 HydrophobicContact CG2-CE 3.25Å; L290-M361 HydrophobicContact CB-CB 4.48Å; L290-M361 HydrophobicContact CD1-CB 3.98Å; L290-M361 HydrophobicContact CD1-SD 3.99Å; I291-M361 PolarHBondContact O-N 3.23Å; A292-M361 WeakPolarHBondContact CA-O 3.39Å; G293-M361 PolarHBondContact N-O 2.98Å; M312-M361 WeakPolarHBondContact O-CE 3.23Å; G313-M361 WeakPolarHBondContact O-CA 3.2Å; Q314-M361 HydrophobicContact CG-CG 4.21Å; Q314-M361 HydrophobicContact CG-SD 4.37Å
362G94.2Very high88.2Confident4 Ų447.1 Ų47.14%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-84.7130.5176.500000112G313G313-G362 PolarHBondContact O-N 2.83Å
363I90.8Very high89Confident5 Ų543.7 Ų43.73%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-122.1137176.5-50.9-178.1000109.9W51 T55 A292 G293 K295 L365W51-I363 HydrophobicContact CE3-CD1 4.45Å; W51-I363 HydrophobicContact CH2-CD1 3.42Å; W51-I363 VanDerWaalsContact CH2-CD1 3.42Å; W51-I363 HydrophobicContact CH2-CG1 4.5Å; W51-I363 HydrophobicContact CZ3-CD1 3.34Å; W51-I363 HydrophobicContact CZ3-CG1 4.07Å; T55-I363 HydrophobicContact CG2-CD1 3.79Å; T55-I363 HydrophobicContact CG2-CG2 4.45Å; A292-I363 HydrophobicContact CB-CD1 3.44Å; A292-I363 VanDerWaalsContact CB-CD1 3.44Å; A292-I363 HydrophobicContact CB-CG1 4.12Å; G293-I363 PolarHBondContact O-N 3.45Å; K295-I363 PolarHBondContact N-O 3.07Å; I363-L365 VanDerWaalsContact C-N 3.33Å; I363-L365 HydrophobicContact CB-CG 4.42Å; I363-L365 HydrophobicContact CG2-CD2 3.97Å; I363-L365 HydrophobicContact CG2-CG 4.17Å; I363-L365 PolarHBondContact O-N 3.13Å; I363-L365 VanDerWaalsContact O-N 3.08Å
364D86Confident89.5Confident89 Ų8936.8 Ų36.848%0.47619%0.189SC..  trans-80.479.7171.8-75.9-46.1000110.3R56 K295R56-D364 WeakPolarHBondContact CD-O 3.42Å; R56-D364 WeakPolarHBondContact CG-O 3.37Å; K295-D364 WeakPolarHBondContact CD-OD1 3.35Å; K295-D364 WeakPolarHBondContact CD-OD2 3.46Å; K295-D364 IonicContact NZ-OD1 2.95Å; K295-D364 IonicContact NZ-OD2 3.31Å; K295-D364 PolarHBondContact NZ-OD2 2.88Å
365L82.9Confident90Very high34 Ų3434.4 Ų34.418%0.17817%0.173CC..  trans-77.4144.5173.4-65.3177.9000111.3T55 I363 V369 L372T55-L365 HydrophobicContact CG2-CD2 4.33Å; I363-L365 VanDerWaalsContact C-N 3.33Å; I363-L365 HydrophobicContact CB-CG 4.42Å; I363-L365 HydrophobicContact CG2-CD2 3.97Å; I363-L365 HydrophobicContact CG2-CG 4.17Å; I363-L365 PolarHBondContact O-N 3.13Å; I363-L365 VanDerWaalsContact O-N 3.08Å; L365-V369 HydrophobicContact CD1-CG1 4.23Å; L365-L372 HydrophobicContact CD1-CB 3.85Å; L365-L372 HydrophobicContact CD1-CD2 4.47Å; L365-L372 HydrophobicContact CD1-CG 4.47Å
366P81.6Confident90.3Very high10 Ų1029.5 Ų29.57%0.06515%0.151CC..  trans-65.9150.1176.6-14.633.2000110.5R56 L60 E368 V369R56-P366 HydrophobicContact CG-CG 3.6Å; L60-P366 HydrophobicContact CB-CG 4.15Å; L60-P366 HydrophobicContact CD1-CB 3.97Å; L60-P366 HydrophobicContact CD1-CG 4.05Å; L60-P366 HydrophobicContact CD2-CG 4.1Å; L60-P366 HydrophobicContact CG-CG 4.32Å; P366-E368 WeakPolarHBondContact CB-OE2 3.49Å; P366-E368 PolarHBondContact O-N 3.12Å; P366-E368 VanDerWaalsContact O-N 3.08Å; P366-V369 HydrophobicContact CG-CG2 4.24Å; P366-V369 WeakPolarHBondContact O-CB 3.46Å; P366-V369 PolarHBondContact O-N 3.46Å
367K83.3Confident90.2Very high201 Ų20129.8 Ų29.887%0.87415%0.153SC*.THydrogen-bonded Turntrans-58-29-177.7-69.6-175.9177.4-178.40112.6V369 G370K367-V369 VanDerWaalsContact C-N 3.28Å; K367-V369 PolarHBondContact O-N 3.3Å; K367-G370 PolarHBondContact O-N 2.79Å
368E82.9Confident90.3Very high132 Ų13229.4 Ų29.462%0.61715%0.151SC*.THydrogen-bonded Turntrans-67.6-26.1178.9-5676.8-168.300113L60 P366 G370L60-E368 HydrophobicContact CD1-CB 3.88Å; L60-E368 HydrophobicContact CD1-CG 4.36Å; P366-E368 WeakPolarHBondContact CB-OE2 3.49Å; P366-E368 PolarHBondContact O-N 3.12Å; P366-E368 VanDerWaalsContact O-N 3.08Å; E368-G370 VanDerWaalsContact C-N 3.32Å
369V81.7Confident90.4Very high3 Ų329.4 Ų29.42%0.01815%0.151CC..THydrogen-bonded Turntrans-72.8-32175.8175.90000110.6L60 K63 L365 P366 K367 L372L60-V369 HydrophobicContact CB-CG2 4.24Å; L60-V369 HydrophobicContact CD1-CG2 4.42Å; K63-V369 WeakPolarHBondContact CE-O 3.39Å; K63-V369 PolarHBondContact NZ-O 3.13Å; L365-V369 HydrophobicContact CD1-CG1 4.23Å; P366-V369 HydrophobicContact CG-CG2 4.24Å; P366-V369 WeakPolarHBondContact O-CB 3.46Å; P366-V369 PolarHBondContact O-N 3.46Å; K367-V369 VanDerWaalsContact C-N 3.28Å; K367-V369 PolarHBondContact O-N 3.3Å; V369-L372 HydrophobicContact CG1-CB 3.9Å; V369-L372 HydrophobicContact CG1-CD2 3.84Å
370G84.5Confident90.5Very high41 Ų4129.4 Ų29.442%0.42315%0.151SC..  trans80.7-163.4-174.300000112.4K367 E368 L372K367-G370 PolarHBondContact O-N 2.79Å; E368-G370 VanDerWaalsContact C-N 3.32Å; G370-L372 PolarHBondContact O-N 3.27Å; G370-L372 VanDerWaalsContact O-N 3.16Å
371K91.2Very high90.3Very high77 Ų7729.5 Ų29.534%0.33515%0.152SC..SBendtrans-79.993.2175.8-61.7-179.4-176.1-179.10108.8D278 C280 T281 P294 E297D278-K371 IonicContact OD2-NZ 3.72Å; D278-K371 PolarHBondContact OD2-NZ 3.04Å; D278-K371 VanDerWaalsContact OD2-NZ 3.15Å; C280-K371 HydrophobicContact CB-CB 3.68Å; C280-K371 VanDerWaalsContact CB-O 3.31Å; C280-K371 WeakPolarHBondContact CB-O 3.02Å; T281-K371 PolarHBondContact N-O 2.82Å; P294-K371 HydrophobicContact CG-CB 4.43Å; E297-K371 IonicContact OE1-NZ 3.71Å
372L94Very high90.5Very high5 Ų530.9 Ų30.93%0.02616%0.16CC..EExtended strand (participates in β ladder)trans-110.3133177.1176.265.5000110.2Y59 T281 I283 L365 V369 G370Y59-L372 HydrophobicContact CD1-CD2 3.69Å; Y59-L372 HydrophobicContact CD2-CD2 3.83Å; Y59-L372 HydrophobicContact CE1-CD2 4.21Å; Y59-L372 HydrophobicContact CE2-CD2 4.34Å; Y59-L372 HydrophobicContact CG-CD2 3.49Å; Y59-L372 VanDerWaalsContact CG-CD2 3.49Å; T281-L372 CarbonylContact O-C 3.58Å; T281-L372 WeakPolarHBondContact O-CA 3.13Å; T281-L372 WeakPolarHBondContact OG1-CD1 3.37Å; I283-L372 HydrophobicContact CD1-CD1 3.86Å; I283-L372 HydrophobicContact CD1-CD2 4.22Å; I283-L372 HydrophobicContact CG1-CD1 3.94Å; L365-L372 HydrophobicContact CD1-CB 3.85Å; L365-L372 HydrophobicContact CD1-CD2 4.47Å; L365-L372 HydrophobicContact CD1-CG 4.47Å; V369-L372 HydrophobicContact CG1-CB 3.9Å; V369-L372 HydrophobicContact CG1-CD2 3.84Å; G370-L372 PolarHBondContact O-N 3.27Å; G370-L372 VanDerWaalsContact O-N 3.16Å
373W96.3Very high90.7Very high0 Ų031.5 Ų31.50%016%0.162CC..EExtended strand (participates in β ladder)trans-111.6150.3170.4-70.780.3000110.8M264 I267 A275 T281 A282 I283 I291 A292 E297 V298 I301 F360M264-W373 HydrophobicContact CE-CB 4.01Å; M264-W373 HydrophobicContact CE-CD2 4.17Å; M264-W373 HydrophobicContact CE-CG 3.7Å; I267-W373 HydrophobicContact CD1-CD2 3.83Å; I267-W373 HydrophobicContact CD1-CE3 3.81Å; I267-W373 HydrophobicContact CD1-CH2 3.51Å; I267-W373 HydrophobicContact CD1-CZ2 3.52Å; I267-W373 HydrophobicContact CD1-CZ3 3.66Å; A275-W373 HydrophobicContact CB-CH2 4.44Å; A275-W373 HydrophobicContact CB-CZ2 3.84Å; T281-W373 PolarHBondContact O-N 3.12Å; A282-W373 CarbonylContact C-O 3.59Å; A282-W373 VanDerWaalsContact CA-O 3.24Å; A282-W373 WeakPolarHBondContact CA-O 3.48Å; A282-W373 HydrophobicContact CB-CB 4.14Å; I283-W373 PolarHBondContact N-O 3.24Å; I291-W373 HydrophobicContact CG2-CE3 3.79Å; I291-W373 HydrophobicContact CG2-CZ3 3.95Å; A292-W373 CarbonylContact O-C 3.52Å; A292-W373 VanDerWaalsContact O-CA 3.25Å; A292-W373 WeakPolarHBondContact O-CA 3.3Å; E297-W373 HydrophobicContact CB-CZ2 3.9Å; V298-W373 HydrophobicContact CG2-CH2 3.57Å; V298-W373 HydrophobicContact CG2-CZ2 4.45Å; V298-W373 HydrophobicContact CG2-CZ3 3.87Å; I301-W373 HydrophobicContact CD1-CH2 3.84Å; F360-W373 HydrophobicContact CD1-CZ3 4.06Å; F360-W373 HydrophobicContact CE1-CZ3 4.38Å
374I94.7Very high91Very high5 Ų531.3 Ų31.33%0.02616%0.161CC..EExtended strand (participates in β ladder)trans-122.2121.3173.7-55.5169.2000106.3T55 Y59 D285 T288 I291 A292T55-I374 HydrophobicContact CG2-CD1 3.82Å; Y59-I374 HydrophobicContact CD2-CD1 4.42Å; Y59-I374 HydrophobicContact CE2-CD1 3.55Å; Y59-I374 HydrophobicContact CE2-CG1 4.3Å; D285-I374 HydrophobicContact CB-CG2 3.69Å; T288-I374 HydrophobicContact CG2-CG2 4.01Å; I291-I374 CarbonylContact C-O 3.55Å; I291-I374 VanDerWaalsContact CA-O 3.32Å; I291-I374 WeakPolarHBondContact CA-O 3.45Å; A292-I374 HydrophobicContact CB-CB 4.12Å; A292-I374 HydrophobicContact CB-CD1 4.36Å; A292-I374 PolarHBondContact N-O 3.04Å; A292-I374 PolarHBondContact O-N 3.16Å
375L96.5Very high91.7Very high0 Ų027.1 Ų27.10%014%0.138CC..EExtended strand (participates in β ladder)trans-102.399.7-180-52.6-168.7000108.3F262 A282 I283 D285 I291 L330 I332 F379 I380F262-L375 HydrophobicContact CZ-CD1 3.85Å; A282-L375 HydrophobicContact CB-CD1 4.35Å; A282-L375 HydrophobicContact CB-CG 4.28Å; I283-L375 PolarHBondContact O-N 2.88Å; D285-L375 PolarHBondContact N-O 2.92Å; I291-L375 HydrophobicContact CG2-CD2 4.03Å; L330-L375 HydrophobicContact CD2-CD1 4.05Å; L330-L375 HydrophobicContact CD2-CD2 3.62Å; I332-L375 HydrophobicContact CD1-CD1 4.19Å; L375-F379 HydrophobicContact CB-CB 3.97Å; L375-F379 HydrophobicContact CB-CD1 4.06Å; L375-F379 HydrophobicContact CB-CG 4.07Å; L375-F379 HydrophobicContact CD1-CD1 3.85Å; L375-F379 HydrophobicContact CD1-CD2 4.2Å; L375-F379 HydrophobicContact CD1-CE1 3.94Å; L375-F379 HydrophobicContact CD1-CE2 4.28Å; L375-F379 HydrophobicContact CD1-CG 3.98Å; L375-F379 HydrophobicContact CD1-CZ 4.16Å; L375-F379 HydrophobicContact CG-CG 4.5Å; L375-I380 WeakPolarHBondContact O-CD1 3.24Å
376G93Very high92.4Very high0 Ų025.5 Ų25.50%013%0.13CC..  trans-89.3-160.5177.700000114.6D285 T288 S289 L290 V378 F379 I380D285-G376 WeakPolarHBondContact O-CA 3.35Å; T288-G376 CarbonylContact O-C 3.56Å; T288-G376 WeakPolarHBondContact O-CA 3.24Å; S289-G376 CarbonylContact O-C 3.59Å; L290-G376 PolarHBondContact O-N 2.82Å; G376-V378 PolarHBondContact O-N 3.35Å; G376-V378 VanDerWaalsContact O-N 3.07Å; G376-F379 PolarHBondContact O-N 2.85Å; G376-I380 PolarHBondContact O-N 2.97Å
377D90.3Very high93.2Very high7 Ų725 Ų254%0.03713%0.126CC..Hα-helixtrans-50.8-30.2179.7-58.4-31.1000115.2Y80 L223 T288 S289 F379 G381Y80-D377 HydrophobicContact CE2-CB 4.29Å; L223-D377 HydrophobicContact CD1-CB 4.26Å; T288-D377 PolarHBondContact O-N 2.82Å; S289-D377 WeakPolarHBondContact CA-OD2 3.4Å; S289-D377 WeakPolarHBondContact CB-OD2 3.42Å; S289-D377 PolarHBondContact O-N 3.18Å; S289-D377 VanDerWaalsContact O-N 3.11Å; S289-D377 PolarHBondContact OG-OD2 2.92Å; D377-F379 VanDerWaalsContact C-N 3.28Å; D377-F379 PolarHBondContact O-N 3.06Å; D377-G381 WeakPolarHBondContact O-CA 3.44Å; D377-G381 PolarHBondContact O-N 3.14Å
378V92.7Very high93.9Very high3 Ų315.6 Ų15.62%0.0189%0.086CC..Hα-helixtrans-58.3-44.1174167.30000110.7S289 I291 L339 G376 T382S289-V378 WeakPolarHBondContact O-CG2 3.46Å; S289-V378 PolarHBondContact O-N 3.24Å; I291-V378 HydrophobicContact CD1-CB 4.31Å; I291-V378 HydrophobicContact CD1-CG1 3.68Å; I291-V378 HydrophobicContact CG1-CB 4.12Å; I291-V378 HydrophobicContact CG1-CG1 4.02Å; L339-V378 HydrophobicContact CD1-CG1 4.49Å; G376-V378 PolarHBondContact O-N 3.35Å; G376-V378 VanDerWaalsContact O-N 3.07Å; V378-T382 PolarHBondContact O-OG1 2.91Å
379F97.3Very high94.6Very high0 Ų010.1 Ų10.10%06%0.06CC..Hα-helixtrans-82.7-50.2177.5-174.6-90.6000111.4I291 L330 I332 F337 L339 L375 G376 D377 G381 T382 Y383 F396I291-F379 HydrophobicContact CD1-CB 4.26Å; I291-F379 HydrophobicContact CG1-CB 4.31Å; L330-F379 HydrophobicContact CB-CE2 4.31Å; L330-F379 HydrophobicContact CD1-CD2 4.36Å; L330-F379 HydrophobicContact CD1-CE2 4.39Å; L330-F379 HydrophobicContact CD2-CD2 3.9Å; L330-F379 HydrophobicContact CD2-CE2 3.93Å; L330-F379 HydrophobicContact CG-CE2 4.45Å; I332-F379 HydrophobicContact CD1-CE2 4.35Å; I332-F379 HydrophobicContact CD1-CZ 3.8Å; F337-F379 HydrophobicContact CB-CE2 3.81Å; F337-F379 HydrophobicContact CB-CZ 3.98Å; F337-F379 HydrophobicContact CD1-CZ 4.3Å; F337-F379 HydrophobicContact CG-CE2 4.45Å; F337-F379 HydrophobicContact CG-CZ 4.12Å; L339-F379 HydrophobicContact CD2-CD2 4.36Å; L375-F379 HydrophobicContact CB-CB 3.97Å; L375-F379 HydrophobicContact CB-CD1 4.06Å; L375-F379 HydrophobicContact CB-CG 4.07Å; L375-F379 HydrophobicContact CD1-CD1 3.85Å; L375-F379 HydrophobicContact CD1-CD2 4.2Å; L375-F379 HydrophobicContact CD1-CE1 3.94Å; L375-F379 HydrophobicContact CD1-CE2 4.28Å; L375-F379 HydrophobicContact CD1-CG 3.98Å; L375-F379 HydrophobicContact CD1-CZ 4.16Å; L375-F379 HydrophobicContact CG-CG 4.5Å; G376-F379 PolarHBondContact O-N 2.85Å; D377-F379 VanDerWaalsContact C-N 3.28Å; D377-F379 PolarHBondContact O-N 3.06Å; F379-G381 PolarHBondContact O-N 2.86Å; F379-T382 PolarHBondContact O-N 2.85Å; F379-Y383 HydrophobicContact CD1-CD2 4.33Å; F379-Y383 AromaticContact CD2-CD2 3.91Å; F379-Y383 HydrophobicContact CD2-CD2 3.91Å; F379-Y383 HydrophobicContact CD2-CE2 4.24Å; F379-Y383 AromaticContact CE1-CD2 3.98Å; F379-Y383 HydrophobicContact CE1-CD2 3.98Å; F379-Y383 HydrophobicContact CE1-CG 4.45Å; F379-Y383 AromaticContact CE2-CD2 3.54Å; F379-Y383 HydrophobicContact CE2-CD2 3.54Å; F379-Y383 AromaticContact CE2-CE2 3.79Å; F379-Y383 HydrophobicContact CE2-CE2 3.79Å; F379-Y383 HydrophobicContact CG-CD2 4.3Å; F379-Y383 AromaticContact CZ-CD2 3.57Å; F379-Y383 HydrophobicContact CZ-CD2 3.57Å; F379-Y383 HydrophobicContact CZ-CE2 4.19Å; F379-Y383 HydrophobicContact CZ-CG 4.24Å; F379-Y383 PolarHBondContact O-N 2.99Å; F379-F396 HydrophobicContact CD1-CE1 4.44Å; F379-F396 AromaticContact CE1-CD1 3.67Å; F379-F396 HydrophobicContact CE1-CD1 3.67Å; F379-F396 AromaticContact CE1-CE1 3.66Å; F379-F396 HydrophobicContact CE1-CE1 3.66Å; F379-F396 HydrophobicContact CE1-CG 4.31Å; F379-F396 HydrophobicContact CE1-CZ 4.29Å; F379-F396 HydrophobicContact CZ-CD1 4.4Å
380I96Very high95.4Very high0 Ų012 Ų120%08%0.08CC..Hα-helixtrans-65.3-27.9-175.6-62.4174.3000111.9F221 L223 T286 L375 G376 T382 Y383F221-I380 HydrophobicContact CB-CG2 4.3Å; L223-I380 HydrophobicContact CD1-CB 4.13Å; L223-I380 HydrophobicContact CD1-CG2 3.73Å; L223-I380 HydrophobicContact CG-CG2 4.1Å; T286-I380 HydrophobicContact CG2-CD1 3.85Å; L375-I380 WeakPolarHBondContact O-CD1 3.24Å; G376-I380 PolarHBondContact O-N 2.97Å; I380-T382 VanDerWaalsContact C-N 3.35Å; I380-Y383 CarbonylContact C-O 3.6Å; I380-Y383 CarbonylContact O-C 3.51Å
381G93.8Very high96Very high2 Ų215 Ų152%0.0219%0.086CC..THydrogen-bonded Turntrans-79.2-16.9172.800000114.3R225 D377 F379R225-G381 WeakPolarHBondContact CD-O 3.38Å; R225-G381 WeakPolarHBondContact CG-O 3.35Å; D377-G381 WeakPolarHBondContact O-CA 3.44Å; D377-G381 PolarHBondContact O-N 3.14Å; F379-G381 PolarHBondContact O-N 2.86Å
382T96.8Very high96.4Very high31 Ų3113.4 Ų13.419%0.198%0.081CC..THydrogen-bonded Turntrans-89.7-30.8173.2-51.40000110.8L339 A343 V378 F379 I380 A399L339-T382 HydrophobicContact CD2-CG2 3.89Å; A343-T382 HydrophobicContact CB-CG2 4.44Å; V378-T382 PolarHBondContact O-OG1 2.91Å; F379-T382 PolarHBondContact O-N 2.85Å; I380-T382 VanDerWaalsContact C-N 3.35Å; T382-A399 WeakPolarHBondContact O-CB 3.42Å; T382-A399 PolarHBondContact O-N 2.96Å
383Y98.3Very high96.6Very high16 Ų1617 Ų176%0.0639%0.094CC..EExtended strand (participates in β ladder)trans-123.9121.5-177.8-63.8-67.8000112F337 T338 L339 F379 I380 T385 A397F337-Y383 WeakPolarHBondContact CA-OH 3.15Å; F337-Y383 HydrophobicContact CB-CD2 4.27Å; F337-Y383 HydrophobicContact CB-CE1 4.42Å; F337-Y383 HydrophobicContact CB-CE2 3.66Å; F337-Y383 AromaticContact CD1-CD1 3.64Å; F337-Y383 HydrophobicContact CD1-CD1 3.64Å; F337-Y383 HydrophobicContact CD1-CD2 4.1Å; F337-Y383 AromaticContact CD1-CE1 3.64Å; F337-Y383 HydrophobicContact CD1-CE1 3.64Å; F337-Y383 HydrophobicContact CD1-CE2 4.07Å; F337-Y383 AromaticContact CD1-CG 3.88Å; F337-Y383 HydrophobicContact CD1-CG 3.88Å; F337-Y383 AromaticContact CD1-CZ 3.85Å; F337-Y383 HydrophobicContact CE1-CD1 4.21Å; F337-Y383 HydrophobicContact CE1-CE1 4.46Å; F337-Y383 HydrophobicContact CG-CE2 4.37Å; T338-Y383 WeakPolarHBondContact CA-OH 3.36Å; T338-Y383 PolarHBondContact N-OH 2.81Å; T338-Y383 PolarHBondContact O-OH 2.84Å; L339-Y383 HydrophobicContact CD2-CE2 3.87Å; F379-Y383 HydrophobicContact CD1-CD2 4.33Å; F379-Y383 AromaticContact CD2-CD2 3.91Å; F379-Y383 HydrophobicContact CD2-CD2 3.91Å; F379-Y383 HydrophobicContact CD2-CE2 4.24Å; F379-Y383 AromaticContact CE1-CD2 3.98Å; F379-Y383 HydrophobicContact CE1-CD2 3.98Å; F379-Y383 HydrophobicContact CE1-CG 4.45Å; F379-Y383 AromaticContact CE2-CD2 3.54Å; F379-Y383 HydrophobicContact CE2-CD2 3.54Å; F379-Y383 AromaticContact CE2-CE2 3.79Å; F379-Y383 HydrophobicContact CE2-CE2 3.79Å; F379-Y383 HydrophobicContact CG-CD2 4.3Å; F379-Y383 AromaticContact CZ-CD2 3.57Å; F379-Y383 HydrophobicContact CZ-CD2 3.57Å; F379-Y383 HydrophobicContact CZ-CE2 4.19Å; F379-Y383 HydrophobicContact CZ-CG 4.24Å; F379-Y383 PolarHBondContact O-N 2.99Å; I380-Y383 CarbonylContact C-O 3.6Å; I380-Y383 CarbonylContact O-C 3.51Å; Y383-T385 PolarHBondContact O-N 3.18Å; Y383-T385 PolarHBondContact O-OG1 3.04Å; Y383-A397 CarbonylContact C-O 3.51Å; Y383-A397 VanDerWaalsContact CA-O 3.23Å; Y383-A397 WeakPolarHBondContact CA-O 3.12Å
384Y98.4Very high96.7Very high2 Ų217 Ų171%0.0089%0.094CC..EExtended strand (participates in β ladder)trans-51.9124.5166.9-173.9-82.3000109.1S220 W222 L240 D241 H244 Y245 A386 F396 A397S220-Y384 VanDerWaalsContact CB-CE1 3.46Å; S220-Y384 WeakPolarHBondContact CB-OH 3.49Å; S220-Y384 PolarHBondContact OG-OH 2.96Å; W222-Y384 HydrophobicContact CB-CD2 3.87Å; W222-Y384 HydrophobicContact CB-CE2 4.01Å; L240-Y384 HydrophobicContact CD2-CE1 3.84Å; D241-Y384 PolarHBondContact N-OH 2.95Å; H244-Y384 HydrophobicContact CB-CD2 3.84Å; H244-Y384 HydrophobicContact CB-CE2 3.75Å; Y245-Y384 AromaticContact CD1-CD1 3.92Å; Y245-Y384 HydrophobicContact CD1-CD1 3.92Å; Y245-Y384 HydrophobicContact CD1-CD2 4.06Å; Y245-Y384 HydrophobicContact CD1-CE1 4.01Å; Y245-Y384 HydrophobicContact CD1-CE2 4.13Å; Y245-Y384 AromaticContact CD1-CG 3.95Å; Y245-Y384 HydrophobicContact CD1-CG 3.95Å; Y245-Y384 HydrophobicContact CE1-CE1 4.36Å; Y245-Y384 HydrophobicContact CG-CD1 4.38Å; Y245-Y384 HydrophobicContact CG-CG 4.22Å; Y384-A386 HydrophobicContact CE1-CB 4.48Å; Y384-F396 WeakPolarHBondContact O-CA 2.98Å; Y384-A397 PolarHBondContact N-O 3.42Å; Y384-A397 PolarHBondContact O-N 3.38Å
385T98.7Very high96.9Very high0 Ų016.7 Ų16.70%09%0.093CC..EExtended strand (participates in β ladder)trans-120.2122.8-170.8-59.70000110.3S220 F221 A284 Y383 F387 V394 G395 F396S220-T385 CarbonylContact C-O 3.56Å; S220-T385 VanDerWaalsContact CA-O 3.24Å; S220-T385 WeakPolarHBondContact CA-O 3.42Å; S220-T385 WeakPolarHBondContact CB-O 3.48Å; F221-T385 PolarHBondContact N-O 2.83Å; F221-T385 PolarHBondContact O-N 3.28Å; A284-T385 HydrophobicContact CB-CG2 4.4Å; Y383-T385 PolarHBondContact O-N 3.18Å; Y383-T385 PolarHBondContact O-OG1 3.04Å; T385-F387 HydrophobicContact CG2-CD2 4.33Å; T385-F387 HydrophobicContact CG2-CE1 4.18Å; T385-F387 HydrophobicContact CG2-CE2 3.61Å; T385-F387 HydrophobicContact CG2-CZ 3.52Å; T385-V394 HydrophobicContact CG2-CG1 3.98Å; T385-G395 CarbonylContact C-O 3.57Å; T385-G395 WeakPolarHBondContact CA-O 3.13Å; T385-F396 HydrophobicContact CG2-CD1 3.96Å; T385-F396 HydrophobicContact CG2-CE1 3.59Å
386A98.6Very high97Very high0 Ų016.7 Ų16.70%09%0.093CC..EExtended strand (participates in β ladder)trans-110.7141.7178.600000111.5L240 W251 Y384 V394 G395L240-A386 HydrophobicContact CD2-CB 3.36Å; W251-A386 HydrophobicContact CH2-CB 3.6Å; W251-A386 HydrophobicContact CZ2-CB 4.48Å; W251-A386 HydrophobicContact CZ3-CB 3.95Å; Y384-A386 HydrophobicContact CE1-CB 4.48Å; A386-V394 CarbonylContact O-C 3.24Å; A386-V394 VanDerWaalsContact O-CA 3.31Å; A386-V394 WeakPolarHBondContact O-CA 3.47Å; A386-V394 WeakPolarHBondContact O-CG1 3.11Å; A386-G395 PolarHBondContact N-O 3.24Å; A386-G395 PolarHBondContact O-N 2.86Å
387F98.7Very high97.2Very high0 Ų016.7 Ų16.70%09%0.093CC..EExtended strand (participates in β ladder)trans-122.9101.7-177.7-59.6-89000108.2T99 V218 F219 F221 W260 A284 T286 T385 V394T99-F387 HydrophobicContact CG2-CD1 4.41Å; T99-F387 HydrophobicContact CG2-CE1 3.91Å; T99-F387 HydrophobicContact CG2-CE2 4.06Å; T99-F387 HydrophobicContact CG2-CZ 3.72Å; V218-F387 WeakPolarHBondContact CA-O 3.37Å; F219-F387 HydrophobicContact CD1-CB 3.96Å; F219-F387 HydrophobicContact CD2-CB 3.94Å; F219-F387 AromaticContact CD2-CD2 3.65Å; F219-F387 HydrophobicContact CD2-CD2 3.65Å; F219-F387 HydrophobicContact CD2-CG 4.1Å; F219-F387 HydrophobicContact CE1-CB 3.52Å; F219-F387 HydrophobicContact CE1-CG 4.29Å; F219-F387 HydrophobicContact CE2-CB 3.49Å; F219-F387 VanDerWaalsContact CE2-CB 3.49Å; F219-F387 HydrophobicContact CE2-CD1 4.28Å; F219-F387 AromaticContact CE2-CD2 3.19Å; F219-F387 HydrophobicContact CE2-CD2 3.19Å; F219-F387 AromaticContact CE2-CE2 3.92Å; F219-F387 HydrophobicContact CE2-CE2 3.92Å; F219-F387 AromaticContact CE2-CG 3.4Å; F219-F387 HydrophobicContact CE2-CG 3.4Å; F219-F387 HydrophobicContact CG-CB 4.17Å; F219-F387 HydrophobicContact CZ-CB 3.26Å; F219-F387 HydrophobicContact CZ-CD1 4.19Å; F219-F387 AromaticContact CZ-CD2 3.85Å; F219-F387 HydrophobicContact CZ-CD2 3.85Å; F219-F387 AromaticContact CZ-CG 3.52Å; F219-F387 HydrophobicContact CZ-CG 3.52Å; F219-F387 PolarHBondContact N-O 3.31Å; F219-F387 PolarHBondContact O-N 3.31Å; F221-F387 HydrophobicContact CD2-CD2 4.16Å; F221-F387 AromaticContact CD2-CE2 3.73Å; F221-F387 HydrophobicContact CD2-CE2 3.73Å; F221-F387 HydrophobicContact CE2-CE2 4.29Å; W260-F387 HydrophobicContact CB-CD1 4.05Å; W260-F387 HydrophobicContact CB-CE1 3.94Å; W260-F387 AromaticContact CD1-CD1 3.92Å; W260-F387 AromaticContact CD1-CE1 3.99Å; W260-F387 HydrophobicContact CD2-CB 4.34Å; W260-F387 AromaticContact CD2-CD1 3.41Å; W260-F387 HydrophobicContact CD2-CD1 3.41Å; W260-F387 VanDerWaalsContact CD2-CD1 3.41Å; W260-F387 HydrophobicContact CD2-CE1 4.14Å; W260-F387 HydrophobicContact CD2-CG 4.31Å; W260-F387 AromaticContact CE2-CD1 3.72Å; W260-F387 HydrophobicContact CE3-CB 4.23Å; W260-F387 AromaticContact CE3-CD1 3.8Å; W260-F387 HydrophobicContact CE3-CD1 3.8Å; W260-F387 AromaticContact CG-CD1 3.52Å; W260-F387 HydrophobicContact CG-CD1 3.52Å; W260-F387 AromaticContact CG-CE1 3.73Å; W260-F387 HydrophobicContact CG-CE1 3.73Å; W260-F387 HydrophobicContact CH2-CB 3.78Å; W260-F387 HydrophobicContact CZ2-CB 3.91Å; W260-F387 HydrophobicContact CZ2-CD1 4.33Å; W260-F387 HydrophobicContact CZ3-CB 3.96Å; W260-F387 HydrophobicContact CZ3-CD1 4.39Å; W260-F387 AromaticContact NE1-CD1 3.99Å; A284-F387 HydrophobicContact CB-CE1 3.86Å; A284-F387 HydrophobicContact CB-CZ 4.13Å; T286-F387 HydrophobicContact CG2-CE2 4.49Å; T286-F387 HydrophobicContact CG2-CZ 4.32Å; T385-F387 HydrophobicContact CG2-CD2 4.33Å; T385-F387 HydrophobicContact CG2-CE1 4.18Å; T385-F387 HydrophobicContact CG2-CE2 3.61Å; T385-F387 HydrophobicContact CG2-CZ 3.52Å; F387-V394 HydrophobicContact CD1-CG1 4.45Å; F387-V394 HydrophobicContact CD1-CG2 4.5Å; F387-V394 HydrophobicContact CE1-CG1 4.46Å
388D98.5Very high97.6Very high4 Ų418.5 Ų18.52%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-101.496.1-176.1179.1-11.1000109.1V218 W251 G390 N391 N392 R393V218-D388 HydrophobicContact CG1-CB 4.46Å; V218-D388 HydrophobicContact CG2-CB 3.89Å; W251-D388 HydrophobicContact CE3-CB 4.45Å; W251-D388 HydrophobicContact CH2-CB 3.99Å; W251-D388 HydrophobicContact CZ3-CB 3.62Å; D388-G390 VanDerWaalsContact C-N 3.31Å; D388-G390 PolarHBondContact OD1-N 3.03Å; D388-G390 VanDerWaalsContact OD1-N 3.12Å; D388-N391 PolarHBondContact OD1-N 2.98Å; D388-N391 PolarHBondContact OD1-ND2 2.78Å; D388-N391 WeakPolarHBondContact OD2-CB 3.17Å; D388-N391 PolarHBondContact OD2-ND2 2.78Å; D388-N392 VanDerWaalsContact O-CA 3.3Å; D388-N392 WeakPolarHBondContact O-CA 3.49Å; D388-N392 PolarHBondContact O-N 3.34Å; D388-R393 HydrophobicContact CB-CG 3.74Å; D388-R393 PolarHBondContact N-O 2.99Å; D388-R393 PolarHBondContact O-N 3.05Å; D388-R393 IonicContact OD2-CZ 3.54Å; D388-R393 VanDerWaalsContact OD2-CZ 3.31Å; D388-R393 IonicContact OD2-NE 3.96Å; D388-R393 PolarHBondContact OD2-NE 3.11Å; D388-R393 IonicContact OD2-NH2 3.15Å; D388-R393 PolarHBondContact OD2-NH2 2.99Å
389M97.5Very high97.8Very high17 Ų1719.3 Ų19.38%0.08411%0.112CC..THydrogen-bonded Turntrans-76-22.4-179.6-160.6164.8-73.100112Y193 F205 N206 I209 P217 W260Y193-M389 HydrophobicContact CE1-CG 4.35Å; F205-M389 HydrophobicContact CD1-CB 4.36Å; F205-M389 HydrophobicContact CD1-CE 3.99Å; F205-M389 HydrophobicContact CD1-SD 3.97Å; F205-M389 HydrophobicContact CE1-CB 3.86Å; F205-M389 HydrophobicContact CE1-SD 4.42Å; N206-M389 PolarHBondContact ND2-SD 2.81Å; I209-M389 HydrophobicContact CD1-CB 4.07Å; I209-M389 HydrophobicContact CD1-CG 4.32Å; I209-M389 HydrophobicContact CD1-SD 4.21Å; P217-M389 PolarHBondContact O-N 2.89Å; W260-M389 HydrophobicContact CH2-CB 4Å; W260-M389 HydrophobicContact CH2-CE 3.48Å; W260-M389 VanDerWaalsContact CH2-CE 3.48Å; W260-M389 HydrophobicContact CH2-CG 4.33Å; W260-M389 HydrophobicContact CZ2-CE 3.28Å
390G97.1Very high97.6Very high41 Ų4126.4 Ų26.442%0.42314%0.142SC..THydrogen-bonded Turntrans-66.8-41.3175.900000112.6P217 D388P217-G390 PolarHBondContact O-N 2.88Å; D388-G390 VanDerWaalsContact C-N 3.31Å; D388-G390 PolarHBondContact OD1-N 3.03Å; D388-G390 VanDerWaalsContact OD1-N 3.12Å
391N98.2Very high97.7Very high104 Ų10427.7 Ų27.756%0.55615%0.149SC*.THydrogen-bonded Turntrans-103.1-0179.9-61.5-63.3000113.7D388 R393D388-N391 PolarHBondContact OD1-N 2.98Å; D388-N391 PolarHBondContact OD1-ND2 2.78Å; D388-N391 WeakPolarHBondContact OD2-CB 3.17Å; D388-N391 PolarHBondContact OD2-ND2 2.78Å; N391-R393 HydrophobicContact CB-CG 3.96Å
392N98.3Very high97.9Very high44 Ų4429.1 Ų29.124%0.23516%0.156CC..THydrogen-bonded Turntrans51.961-176.1-63.6-71.1000112.5Y193 V254 Q257 D388Y193-N392 WeakPolarHBondContact CE1-OD1 3.4Å; Y193-N392 PolarHBondContact OH-OD1 2.89Å; V254-N392 HydrophobicContact CB-CB 4.49Å; V254-N392 WeakPolarHBondContact CB-O 3.37Å; V254-N392 PolarHBondContact N-O 3.23Å; Q257-N392 PolarHBondContact NE2-ND2 2.78Å; Q257-N392 PolarHBondContact NE2-OD1 3.34Å; D388-N392 VanDerWaalsContact O-CA 3.3Å; D388-N392 WeakPolarHBondContact O-CA 3.49Å; D388-N392 PolarHBondContact O-N 3.34Å
393R98.6Very high97.9Very high80 Ų8028.9 Ų28.930%0.30215%0.154SC..EExtended strand (participates in β ladder)trans-147.1155.7-178.960.2-176.2-176.6169.40.2111.6W251 V252 D388 N391W251-R393 HydrophobicContact CD2-CG 4.29Å; W251-R393 HydrophobicContact CE3-CB 4.27Å; W251-R393 HydrophobicContact CE3-CG 3.56Å; W251-R393 HydrophobicContact CZ3-CG 4.05Å; V252-R393 CarbonylContact O-C 3.51Å; V252-R393 VanDerWaalsContact O-CA 3.24Å; V252-R393 WeakPolarHBondContact O-CA 3.41Å; V252-R393 VanDerWaalsContact O-CB 3.25Å; V252-R393 WeakPolarHBondContact O-CB 3.2Å; D388-R393 HydrophobicContact CB-CG 3.74Å; D388-R393 PolarHBondContact N-O 2.99Å; D388-R393 PolarHBondContact O-N 3.05Å; D388-R393 IonicContact OD2-CZ 3.54Å; D388-R393 VanDerWaalsContact OD2-CZ 3.31Å; D388-R393 IonicContact OD2-NE 3.96Å; D388-R393 PolarHBondContact OD2-NE 3.11Å; D388-R393 IonicContact OD2-NH2 3.15Å; D388-R393 PolarHBondContact OD2-NH2 2.99Å; N391-R393 HydrophobicContact CB-CG 3.96Å
394V98.7Very high97.9Very high0 Ų029.7 Ų29.70%016%0.16CC..EExtended strand (participates in β ladder)trans-110141.1172.5-171.10000108.2W251 V252 V254 W260 F262 A284 T385 A386 F387 F396W251-V394 CarbonylContact C-O 3.58Å; W251-V394 WeakPolarHBondContact CA-O 3.19Å; V252-V394 HydrophobicContact CG1-CB 4.21Å; V252-V394 PolarHBondContact N-O 2.98Å; V252-V394 PolarHBondContact O-N 2.93Å; V254-V394 HydrophobicContact CG2-CG2 4Å; W260-V394 HydrophobicContact CB-CG2 4.03Å; W260-V394 HydrophobicContact CE3-CG2 3.97Å; F262-V394 HydrophobicContact CD1-CB 4.36Å; F262-V394 HydrophobicContact CD1-CG2 4.16Å; A284-V394 HydrophobicContact CB-CG1 4.34Å; T385-V394 HydrophobicContact CG2-CG1 3.98Å; A386-V394 CarbonylContact O-C 3.24Å; A386-V394 VanDerWaalsContact O-CA 3.31Å; A386-V394 WeakPolarHBondContact O-CA 3.47Å; A386-V394 WeakPolarHBondContact O-CG1 3.11Å; F387-V394 HydrophobicContact CD1-CG1 4.45Å; F387-V394 HydrophobicContact CD1-CG2 4.5Å; F387-V394 HydrophobicContact CE1-CG1 4.46Å; V394-F396 HydrophobicContact CB-CE2 4.36Å; V394-F396 HydrophobicContact CB-CZ 4.19Å; V394-F396 HydrophobicContact CG1-CE1 3.73Å; V394-F396 HydrophobicContact CG1-CE2 3.92Å; V394-F396 HydrophobicContact CG1-CZ 3.36Å
395G98.5Very high97.9Very high0 Ų031.4 Ų31.40%017%0.169CC..EExtended strand (participates in β ladder)trans-122.5140.6-178.300000111.2S250 T385 A386S250-G395 WeakPolarHBondContact O-CA 3.39Å; T385-G395 CarbonylContact C-O 3.57Å; T385-G395 WeakPolarHBondContact CA-O 3.13Å; A386-G395 PolarHBondContact N-O 3.24Å; A386-G395 PolarHBondContact O-N 2.86Å
396F98.7Very high97.8Very high0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-129.5136.8179.2-54.4-71.7000111.4S250 V252 F262 A284 I332 F337 F379 Y384 T385 V394S250-F396 PolarHBondContact N-O 3.2Å; S250-F396 PolarHBondContact O-N 3.05Å; V252-F396 HydrophobicContact CG1-CE2 3.94Å; F262-F396 HydrophobicContact CE1-CE2 4.14Å; F262-F396 AromaticContact CE1-CZ 3.66Å; F262-F396 HydrophobicContact CE1-CZ 3.66Å; F262-F396 HydrophobicContact CE2-CE2 4.07Å; F262-F396 HydrophobicContact CE2-CZ 4.27Å; F262-F396 AromaticContact CZ-CE2 3.77Å; F262-F396 HydrophobicContact CZ-CE2 3.77Å; F262-F396 AromaticContact CZ-CZ 3.51Å; F262-F396 HydrophobicContact CZ-CZ 3.51Å; A284-F396 HydrophobicContact CB-CZ 4.49Å; I332-F396 HydrophobicContact CD1-CD2 4.48Å; I332-F396 HydrophobicContact CD1-CE2 4.24Å; I332-F396 HydrophobicContact CG2-CD2 4.24Å; I332-F396 HydrophobicContact CG2-CE2 4.06Å; F337-F396 HydrophobicContact CD1-CB 4.14Å; F337-F396 HydrophobicContact CE1-CB 3.32Å; F337-F396 HydrophobicContact CE1-CG 4.34Å; F337-F396 HydrophobicContact CZ-CB 3.55Å; F337-F396 HydrophobicContact CZ-CD2 4.39Å; F337-F396 HydrophobicContact CZ-CG 4.38Å; F379-F396 HydrophobicContact CD1-CE1 4.44Å; F379-F396 AromaticContact CE1-CD1 3.67Å; F379-F396 HydrophobicContact CE1-CD1 3.67Å; F379-F396 AromaticContact CE1-CE1 3.66Å; F379-F396 HydrophobicContact CE1-CE1 3.66Å; F379-F396 HydrophobicContact CE1-CG 4.31Å; F379-F396 HydrophobicContact CE1-CZ 4.29Å; F379-F396 HydrophobicContact CZ-CD1 4.4Å; Y384-F396 WeakPolarHBondContact O-CA 2.98Å; T385-F396 HydrophobicContact CG2-CD1 3.96Å; T385-F396 HydrophobicContact CG2-CE1 3.59Å; V394-F396 HydrophobicContact CB-CE2 4.36Å; V394-F396 HydrophobicContact CB-CZ 4.19Å; V394-F396 HydrophobicContact CG1-CE1 3.73Å; V394-F396 HydrophobicContact CG1-CE2 3.92Å; V394-F396 HydrophobicContact CG1-CZ 3.36Å
397A98.2Very high97.8Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-140.7158.9171.200000110Y245 V249 Y383 Y384 A399Y245-A397 HydrophobicContact CD2-CB 3.67Å; Y245-A397 HydrophobicContact CG-CB 3.96Å; V249-A397 HydrophobicContact CG2-CB 4.11Å; Y383-A397 CarbonylContact C-O 3.51Å; Y383-A397 VanDerWaalsContact CA-O 3.23Å; Y383-A397 WeakPolarHBondContact CA-O 3.12Å; Y384-A397 PolarHBondContact N-O 3.42Å; Y384-A397 PolarHBondContact O-N 3.38Å; A397-A399 PolarHBondContact O-N 3.23Å
398T97.5Very high97.7Very high45 Ų4538.7 Ų38.728%0.27621%0.208SC..EExtended strand (participates in β ladder)trans-62.6122.9175.6-56.40000109Y245 E246Y245-T398 CarbonylContact C-O 3.39Å; Y245-T398 WeakPolarHBondContact CA-O 3.48Å; Y245-T398 WeakPolarHBondContact CB-O 2.76Å; E246-T398 HydrophobicContact CG-CG2 4.01Å; E246-T398 PolarHBondContact N-O 2.93Å
399A97Very high97.6Very high20 Ų2041.6 Ų41.617%0.16522%0.224CC..EExtended strand (participates in β ladder)trans-69.7144.5175.200000110.1T382 A397T382-A399 WeakPolarHBondContact O-CB 3.42Å; T382-A399 PolarHBondContact O-N 2.96Å; A397-A399 PolarHBondContact O-N 3.23Å
400K93.3Very high97.6Very high148 Ų14843.8 Ų43.864%0.64324%0.236SC*.  trans-87.10171.4-76.4168.9173.9157.70112.1W222 S242 S243 H244 Y245 E246W222-K400 PolarHBondContact NE1-O 2.95Å; S242-K400 PolarHBondContact O-NZ 3.19Å; S243-K400 WeakPolarHBondContact O-CD 3.4Å; H244-K400 PolarHBondContact O-N 3.18Å; Y245-K400 WeakPolarHBondContact O-CD 3.31Å; Y245-K400 WeakPolarHBondContact O-CE 3.44Å; Y245-K400 PolarHBondContact O-NZ 2.67Å; E246-K400 HydrophobicContact CB-CG 4.41Å

Retrieved 400 of 400 residues in 202.6 ms (Link to these results)

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