A0A3Q0KSB3_SCHMA Loading...

Methionyl-tRNA formyltransferase, putative

AlphaFold DB , UniProt , Accession A0A3Q0KSB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 518 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
1M29.2Very low29.9Very low241 Ų241151 Ų151100%1.18779%0.786SS**  0126.50-82.8-179.5164.500108.7
2S26.6Very low30Very low120 Ų120144.7 Ų144.784%0.83977%0.772SS**  trans54.5128.3165.464.20000122.4
3S30.3Very low29.8Very low74 Ų74142.8 Ų142.852%0.51778%0.775SS.*  trans90.895.1154.5-151.40000116.1Y5S3-Y5 VanDerWaalsContact OG-CD2 3.3Å; S3-Y5 WeakPolarHBondContact OG-CD2 3.19Å; S3-Y5 WeakPolarHBondContact OG-CE2 3.26Å
4S27.9Very low30.2Very low108 Ų108139.9 Ų139.976%0.75577%0.767SS**  cis55.573.243.283.90000114.8
5Y32.5Very low30.2Very low187 Ų187137.3 Ų137.373%0.73376%0.763SS**  trans-131.172.4150-73.7-70.5000110.2S3 F7S3-Y5 VanDerWaalsContact OG-CD2 3.3Å; S3-Y5 WeakPolarHBondContact OG-CD2 3.19Å; S3-Y5 WeakPolarHBondContact OG-CE2 3.26Å; Y5-F7 HydrophobicContact CD1-CD2 4.08Å; Y5-F7 AromaticContact CD1-CE2 3.59Å; Y5-F7 HydrophobicContact CD1-CE2 3.59Å; Y5-F7 HydrophobicContact CE1-CE2 4.17Å; Y5-F7 PolarHBondContact O-N 2.7Å
6L27.1Very low30.4Very low164 Ų164140.2 Ų140.286%0.85977%0.769SS**  trans-65.2100.4146.3-89.3154000106.8
7F31.9Very low30.6Very low163 Ų163142.2 Ų142.272%0.71577%0.769SS**  trans-94.987.2154.8-90.2-78.7000107.9Y5 V9Y5-F7 HydrophobicContact CD1-CD2 4.08Å; Y5-F7 AromaticContact CD1-CE2 3.59Å; Y5-F7 HydrophobicContact CD1-CE2 3.59Å; Y5-F7 HydrophobicContact CE1-CE2 4.17Å; Y5-F7 PolarHBondContact O-N 2.7Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 HydrophobicContact CB-CG2 4.4Å; F7-V9 PolarHBondContact O-N 3.43Å
8K26.7Very low30.6Very low186 Ų186139.7 Ų139.781%0.80976%0.761SS**  trans-60.6105.7140.7-84.2-179.7172.4179.70105.1P10K8-P10 WeakPolarHBondContact O-CD 3.33Å
9V32.9Very low30.6Very low118 Ų118140.8 Ų140.872%0.71577%0.765SS**  trans-85.7111.8159.3-1740000105.4F7F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 HydrophobicContact CB-CG2 4.4Å; F7-V9 PolarHBondContact O-N 3.43Å
10P30.3Very low31Very low95 Ų95143.1 Ų143.162%0.61777%0.767SS**  trans-69.2135.2167.630.2-29.5000107.3K8 A12K8-P10 WeakPolarHBondContact O-CD 3.33Å; P10-A12 PolarHBondContact O-N 3.32Å
11F33.5Very low31.6Very low205 Ų205142.2 Ų142.290%0.89977%0.767SS**  trans-58.289.6158.7-80.7-91.3000107.6
12A31Very low33.2Very low75 Ų75138.4 Ų138.462%0.6274%0.74SS**  trans-116.7105.2171.200000107P10 P14P10-A12 PolarHBondContact O-N 3.32Å; A12-P14 VanDerWaalsContact O-CD 3.29Å; A12-P14 WeakPolarHBondContact O-CD 3.41Å
13C27.9Very low35.6Very low120 Ų120134.1 Ų134.181%0.81171%0.709SS**  trans-57.7117.4173.9-170.40000109.6S15C13-S15 PolarHBondContact O-N 3.41Å
14P34.6Very low38.3Very low102 Ų102134.6 Ų134.666%0.66271%0.705SS**  trans-81100.8162.58.79.9000106.7A12A12-P14 VanDerWaalsContact O-CD 3.29Å; A12-P14 WeakPolarHBondContact O-CD 3.41Å
15S30.5Very low41.4Very low101 Ų101130 Ų13071%0.70667%0.672SS**  trans-61.1140.1160.4450000108.7C13C13-S15 PolarHBondContact O-N 3.41Å
16Q33.3Very low44.2Very low184 Ų184121.5 Ų121.586%0.8664%0.64SS**  trans85.560.1176.7-51.1178.8-6.300117.1
17F33.7Very low47.5Very low174 Ų174113.7 Ų113.776%0.76360%0.599SS**SBendtrans-127.9146.4145.3-80.2-80.3000108.4I19F17-I19 PolarHBondContact O-N 3.37Å
18P30.8Very low50.6Low98 Ų98105.9 Ų105.964%0.63657%0.565SS**  trans-56.9133.2176.724.6-31.6000108.8F20P18-F20 HydrophobicContact CG-CD2 4.35Å; P18-F20 HydrophobicContact CG-CE2 4.21Å; P18-F20 PolarHBondContact O-N 2.82Å
19I31.4Very low54Low161 Ų16197 Ų9783%0.82653%0.527SS*.  trans-65.285.2178.6-58.4166.1000107.6F17 T21F17-I19 PolarHBondContact O-N 3.37Å; I19-T21 HydrophobicContact CG2-CG2 4.29Å; I19-T21 PolarHBondContact O-N 3.44Å
20F37.5Very low57.1Low185 Ų18591.4 Ų91.481%0.81149%0.493SS*.  trans-70104.8157.1-84.2-82.6000105.7P18 R22P18-F20 HydrophobicContact CG-CD2 4.35Å; P18-F20 HydrophobicContact CG-CE2 4.21Å; P18-F20 PolarHBondContact O-N 2.82Å; F20-R22 PolarHBondContact O-N 2.87Å
21T45Very low60.3Low126 Ų12686.9 Ų86.977%0.77346%0.463SS*.  trans-57.4102.516948.40000107.5I19 S23I19-T21 HydrophobicContact CG2-CG2 4.29Å; I19-T21 PolarHBondContact O-N 3.44Å; T21-S23 PolarHBondContact O-N 3.29Å; T21-S23 VanDerWaalsContact O-N 3.12Å
22R62Low63.4Low161 Ų16177.3 Ų77.361%0.60842%0.422SS*.PPolyproline II helixtrans-59.9119.1169.8-78.8-175.2175.5-177.4-1.8106.9F20 I24F20-R22 PolarHBondContact O-N 2.87Å; R22-I24 PolarHBondContact O-N 3.49Å
23S76.5Confident66.5Low29 Ų2976.3 Ų76.320%0.20341%0.406CS..PPolyproline II helixtrans-51.3133.9171.360.70000109.7T21 E112 K113T21-S23 PolarHBondContact O-N 3.29Å; T21-S23 VanDerWaalsContact O-N 3.12Å; S23-E112 WeakPolarHBondContact CB-OE2 3.43Å; S23-K113 VanDerWaalsContact OG-CD 3.24Å; S23-K113 WeakPolarHBondContact OG-CD 3.26Å; S23-K113 WeakPolarHBondContact OG-CE 3.27Å; S23-K113 PolarHBondContact OG-NZ 2.92Å
24I88.3Confident69.8Low84 Ų8479.4 Ų79.443%0.43140%0.402SS..PPolyproline II helixtrans-64.8135.6-179.9-54.4-179.9000109.8R22 K51 Q54R22-I24 PolarHBondContact O-N 3.49Å; I24-K51 WeakPolarHBondContact CG1-O 3.37Å; I24-Q54 HydrophobicContact CG2-CB 3.88Å
25I91.7Very high72.7Confident12 Ų1275.7 Ų75.76%0.06238%0.375CS..EExtended strand (participates in β ladder)trans-93.5114.7174.8-57.3175.6000108.8V27 D52 I53 Q54 K113 L115 I221I25-V27 HydrophobicContact CG2-CG2 4.26Å; I25-D52 PolarHBondContact N-O 3.14Å; I25-I53 WeakPolarHBondContact O-CA 3.28Å; I25-Q54 PolarHBondContact O-N 3.47Å; I25-K113 HydrophobicContact CG1-CB 4.27Å; I25-K113 HydrophobicContact CG1-CD 4.15Å; I25-L115 HydrophobicContact CG2-CB 4.08Å; I25-L115 HydrophobicContact CG2-CD2 4.19Å; I25-I221 HydrophobicContact CD1-CG2 3.99Å; I25-I221 WeakPolarHBondContact CD1-O 3.42Å; I25-I221 HydrophobicContact CG2-CG2 4.22Å
26S92.6Very high75.9Confident8 Ų870.9 Ų70.96%0.05634%0.341CS..EExtended strand (participates in β ladder)trans-84.8123.5175.1-66.30000110.4Q54 P111 K113 L114 L115S26-Q54 CarbonylContact C-O 3.52Å; S26-Q54 WeakPolarHBondContact CA-O 3.4Å; S26-P111 WeakPolarHBondContact OG-CB 3.49Å; S26-K113 PolarHBondContact N-O 3.45Å; S26-L114 WeakPolarHBondContact O-CA 3.16Å; S26-L115 PolarHBondContact O-N 3.05Å
27V95.5Very high79Confident0 Ų062.8 Ų62.80%030%0.304CS..EExtended strand (participates in β ladder)trans-111.9131.4-1761750000110.6I25 L43 I53 Q54 L55 L56 L115 V117I25-V27 HydrophobicContact CG2-CG2 4.26Å; V27-L43 HydrophobicContact CG1-CD1 4.21Å; V27-I53 HydrophobicContact CG2-CG2 3.87Å; V27-Q54 PolarHBondContact N-O 3.26Å; V27-L55 HydrophobicContact CG1-CD1 4.25Å; V27-L56 PolarHBondContact O-N 3.36Å; V27-L115 WeakPolarHBondContact CA-O 3.35Å; V27-L115 HydrophobicContact CG2-CD2 4.36Å; V27-V117 HydrophobicContact CG1-CB 4.13Å; V27-V117 HydrophobicContact CG1-CG2 3.71Å
28V96.8Very high82.1Confident0 Ų056.4 Ų56.40%028%0.279CS..EExtended strand (participates in β ladder)trans-105.8121.6158.7-178.60000107.7F30 L56 F57 V59 L114 L115 G116 V117 F133V28-F30 HydrophobicContact CB-CE2 4.09Å; V28-F30 HydrophobicContact CG1-CD2 4.31Å; V28-F30 HydrophobicContact CG1-CE2 3.67Å; V28-F30 HydrophobicContact CG1-CZ 3.95Å; V28-L56 HydrophobicContact CG2-CB 4.44Å; V28-F57 HydrophobicContact CB-CZ 4.46Å; V28-F57 HydrophobicContact CG1-CD2 3.86Å; V28-F57 HydrophobicContact CG1-CE1 4.48Å; V28-F57 HydrophobicContact CG1-CE2 3.47Å; V28-F57 VanDerWaalsContact CG1-CE2 3.47Å; V28-F57 HydrophobicContact CG1-CZ 3.83Å; V28-F57 HydrophobicContact CG2-CD1 4.31Å; V28-F57 HydrophobicContact CG2-CE1 3.76Å; V28-F57 HydrophobicContact CG2-CE2 4.23Å; V28-F57 HydrophobicContact CG2-CZ 3.72Å; V28-V59 HydrophobicContact CG1-CG2 3.89Å; V28-L114 HydrophobicContact CG2-CD1 4.17Å; V28-L115 PolarHBondContact N-O 3.49Å; V28-G116 WeakPolarHBondContact O-CA 3.34Å; V28-V117 PolarHBondContact O-N 2.87Å; V28-F133 HydrophobicContact CB-CE1 3.74Å; V28-F133 HydrophobicContact CB-CZ 4.11Å; V28-F133 HydrophobicContact CG1-CZ 4.47Å; V28-F133 HydrophobicContact CG2-CE1 3.82Å; V28-F133 HydrophobicContact CG2-CZ 4.33Å
29F98.5Very high85.4Confident0 Ų051.7 Ų51.70%025%0.249CC..EExtended strand (participates in β ladder)trans-96.1128.7-177.1-177.8-93.9000110.9S36 H39 L40 L43 L55 F57 V58 V59 V117 V119F29-S36 WeakPolarHBondContact CZ-O 3.4Å; F29-H39 HydrophobicContact CE2-CB 3.89Å; F29-H39 HydrophobicContact CZ-CB 4.07Å; F29-L40 HydrophobicContact CD1-CB 4.15Å; F29-L40 HydrophobicContact CD1-CD1 4.26Å; F29-L40 HydrophobicContact CE1-CB 3.86Å; F29-L40 HydrophobicContact CG-CD1 4.41Å; F29-L40 HydrophobicContact CZ-CB 4.1Å; F29-L43 HydrophobicContact CD2-CD1 3.67Å; F29-L43 HydrophobicContact CE2-CD1 4.32Å; F29-L43 HydrophobicContact CG-CD1 4.4Å; F29-L55 HydrophobicContact CB-CD1 3.79Å; F29-F57 PolarHBondContact N-O 3.02Å; F29-V58 HydrophobicContact CB-CG2 4.39Å; F29-V58 HydrophobicContact CD1-CG1 4.15Å; F29-V58 CarbonylContact O-C 3.59Å; F29-V58 WeakPolarHBondContact O-CA 3.49Å; F29-V59 PolarHBondContact O-N 2.93Å; F29-V117 HydrophobicContact CD2-CB 4.28Å; F29-V117 HydrophobicContact CD2-CG1 4.05Å; F29-V117 HydrophobicContact CE2-CG1 4.27Å; F29-V119 HydrophobicContact CE2-CB 4.29Å; F29-V119 HydrophobicContact CE2-CG2 3.72Å; F29-V119 HydrophobicContact CZ-CB 4.11Å; F29-V119 HydrophobicContact CZ-CG2 4.06Å
30F98.3Very high88.6Confident0 Ų044 Ų440%021%0.21CC..EExtended strand (participates in β ladder)trans-112.1110.8176.2-62.7-103.4000109.3V28 V59 V117 I118 V119 F121 L125 L129 F133V28-F30 HydrophobicContact CB-CE2 4.09Å; V28-F30 HydrophobicContact CG1-CD2 4.31Å; V28-F30 HydrophobicContact CG1-CE2 3.67Å; V28-F30 HydrophobicContact CG1-CZ 3.95Å; F30-V59 WeakPolarHBondContact CA-O 3.26Å; F30-V59 HydrophobicContact CD1-CB 3.5Å; F30-V59 VanDerWaalsContact CD1-CB 3.5Å; F30-V59 HydrophobicContact CD1-CG1 3.81Å; F30-V59 HydrophobicContact CD1-CG2 3.87Å; F30-V59 HydrophobicContact CE1-CB 3.74Å; F30-V59 HydrophobicContact CE1-CG1 3.95Å; F30-V59 HydrophobicContact CE1-CG2 3.59Å; F30-V59 HydrophobicContact CG-CB 4.15Å; F30-V59 HydrophobicContact CZ-CG2 4.03Å; F30-V117 PolarHBondContact N-O 2.99Å; F30-I118 HydrophobicContact CB-CB 4.4Å; F30-I118 HydrophobicContact CB-CG1 3.99Å; F30-I118 HydrophobicContact CB-CG2 4.44Å; F30-I118 HydrophobicContact CD2-CD1 4.27Å; F30-I118 HydrophobicContact CD2-CG1 4.13Å; F30-I118 HydrophobicContact CG-CG1 4.18Å; F30-V119 PolarHBondContact O-N 3.03Å; F30-F121 HydrophobicContact CB-CB 4.26Å; F30-F121 HydrophobicContact CB-CD1 4.05Å; F30-F121 HydrophobicContact CB-CD2 4.16Å; F30-F121 HydrophobicContact CB-CE1 4.46Å; F30-F121 HydrophobicContact CB-CG 3.91Å; F30-F121 HydrophobicContact CD1-CD1 4.22Å; F30-F121 AromaticContact CD1-CE1 3.87Å; F30-F121 HydrophobicContact CD1-CE1 3.87Å; F30-F121 HydrophobicContact CD1-CZ 4.12Å; F30-L125 HydrophobicContact CD1-CD2 4.45Å; F30-L125 HydrophobicContact CE1-CD2 4.29Å; F30-L125 HydrophobicContact CZ-CD2 4.33Å; F30-L129 HydrophobicContact CE1-CD2 4.22Å; F30-L129 HydrophobicContact CZ-CD2 4.5Å; F30-F133 HydrophobicContact CE2-CE1 4.32Å; F30-F133 HydrophobicContact CE2-CE2 4.3Å; F30-F133 AromaticContact CE2-CZ 3.67Å; F30-F133 HydrophobicContact CE2-CZ 3.67Å; F30-F133 HydrophobicContact CZ-CE2 4.14Å; F30-F133 AromaticContact CZ-CZ 3.71Å; F30-F133 HydrophobicContact CZ-CZ 3.71Å
31G98Very high91.5Very high0 Ų041.4 Ų41.40%020%0.195CC..  trans-163.3169.4-178.800000112.2V59 T60 V119G31-V59 PolarHBondContact N-O 3.07Å; G31-V59 VanDerWaalsContact O-O 3.11Å; G31-T60 VanDerWaalsContact O-CA 3.23Å; G31-T60 WeakPolarHBondContact O-CA 3.46Å; G31-T60 VanDerWaalsContact O-CB 3.25Å; G31-T60 WeakPolarHBondContact O-CB 3.27Å; G31-T60 PolarHBondContact O-OG1 2.83Å; G31-V119 VanDerWaalsContact CA-O 3.31Å; G31-V119 WeakPolarHBondContact CA-O 3.18Å
32S97.6Very high94Very high4 Ų436.1 Ų36.13%0.02816%0.163CC..  trans-149.7-48.7-177.2-70.70000113.3S36 T60 T61 T65 P66 V67S32-S36 PolarHBondContact N-OG 3.47Å; S32-T60 PolarHBondContact OG-OG1 3.38Å; S32-T61 WeakPolarHBondContact CB-OG1 3.3Å; S32-T61 WeakPolarHBondContact OG-CG2 3.16Å; S32-T61 PolarHBondContact OG-N 2.92Å; S32-T61 PolarHBondContact OG-OG1 3.35Å; S32-T65 WeakPolarHBondContact O-CB 3.38Å; S32-T65 PolarHBondContact O-OG1 2.9Å; S32-P66 WeakPolarHBondContact O-CD 3.32Å; S32-V67 WeakPolarHBondContact O-CB 3.47Å; S32-V67 WeakPolarHBondContact O-CG2 3.13Å; S32-V67 PolarHBondContact O-N 2.85Å
33D96.2Very high95.7Very high54 Ų5428.5 Ų28.529%0.28914%0.135SC..SBendtrans-89.5-176.1-168.167.17000114.7Y35 S36 L37 S120D33-Y35 PolarHBondContact O-N 2.81Å; D33-Y35 WeakPolarHBondContact OD1-CB 3.26Å; D33-Y35 PolarHBondContact OD1-N 3.01Å; D33-S36 PolarHBondContact N-OG 2.91Å; D33-S36 VanDerWaalsContact N-OG 3.11Å; D33-S36 PolarHBondContact O-N 3.18Å; D33-S36 PolarHBondContact O-OG 2.97Å; D33-S36 PolarHBondContact OD1-N 2.95Å; D33-S36 PolarHBondContact OD1-OG 3.25Å; D33-S36 VanDerWaalsContact OD1-OG 3.05Å; D33-L37 PolarHBondContact O-N 3.4Å; D33-L37 VanDerWaalsContact O-N 3.17Å; D33-S120 WeakPolarHBondContact OD1-CB 3.24Å; D33-S120 VanDerWaalsContact OD2-CB 3.32Å; D33-S120 WeakPolarHBondContact OD2-CB 3.37Å; D33-S120 PolarHBondContact OD2-OG 3.18Å
34Y96.3Very high96.7Very high185 Ų18529.6 Ų29.673%0.72514%0.137SC*.THydrogen-bonded Turntrans-64.4-22.1175.6-75.1-70.8000113.9P38 P66Y34-P38 WeakPolarHBondContact O-CD 3.07Å; Y34-P66 HydrophobicContact CD1-CB 3.79Å; Y34-P66 HydrophobicContact CD1-CG 3.74Å; Y34-P66 HydrophobicContact CD2-CB 4.42Å; Y34-P66 HydrophobicContact CD2-CG 3.48Å; Y34-P66 VanDerWaalsContact CD2-CG 3.48Å; Y34-P66 HydrophobicContact CE1-CB 3.87Å; Y34-P66 HydrophobicContact CE1-CG 3.72Å; Y34-P66 HydrophobicContact CE2-CB 4.48Å; Y34-P66 HydrophobicContact CE2-CG 3.45Å; Y34-P66 VanDerWaalsContact CE2-CG 3.45Å; Y34-P66 HydrophobicContact CG-CB 4.08Å; Y34-P66 HydrophobicContact CG-CG 3.62Å
35Y96.9Very high97.1Very high24 Ų2431.1 Ų31.19%0.09414%0.142CC..THydrogen-bonded Turntrans-75.8-39.9177.8-174.5-95.5000111.4D33 P38 H39 V119 P142 A206 M210 S213D33-Y35 PolarHBondContact O-N 2.81Å; D33-Y35 WeakPolarHBondContact OD1-CB 3.26Å; D33-Y35 PolarHBondContact OD1-N 3.01Å; Y35-P38 WeakPolarHBondContact O-CD 3.43Å; Y35-H39 AromaticContact CE1-CE1 3.97Å; Y35-H39 PolarHBondContact O-CE1 2.92Å; Y35-H39 PolarHBondContact O-ND1 3.46Å; Y35-V119 HydrophobicContact CD1-CG1 4.02Å; Y35-V119 HydrophobicContact CE1-CG1 4.08Å; Y35-P142 HydrophobicContact CE1-CG 4.31Å; Y35-P142 HydrophobicContact CE2-CB 4.48Å; Y35-P142 WeakPolarHBondContact OH-CB 3.37Å; Y35-A206 HydrophobicContact CD2-CB 3.8Å; Y35-A206 HydrophobicContact CE2-CB 4.03Å; Y35-M210 HydrophobicContact CD2-CE 3.78Å; Y35-M210 HydrophobicContact CE2-CE 3.79Å; Y35-M210 HydrophobicContact CG-CE 4.35Å; Y35-M210 WeakPolarHBondContact O-CE 3.34Å; Y35-S213 PolarHBondContact OH-OG 3.13Å
36S98Very high97.3Very high0 Ų031.8 Ų31.80%015%0.145CC..THydrogen-bonded Turntrans-77-28.9178.558.80000114F29 S32 D33 H39 L40 V67 V119F29-S36 WeakPolarHBondContact CZ-O 3.4Å; S32-S36 PolarHBondContact N-OG 3.47Å; D33-S36 PolarHBondContact N-OG 2.91Å; D33-S36 VanDerWaalsContact N-OG 3.11Å; D33-S36 PolarHBondContact O-N 3.18Å; D33-S36 PolarHBondContact O-OG 2.97Å; D33-S36 PolarHBondContact OD1-N 2.95Å; D33-S36 PolarHBondContact OD1-OG 3.25Å; D33-S36 VanDerWaalsContact OD1-OG 3.05Å; S36-H39 WeakPolarHBondContact O-CB 3.46Å; S36-H39 PolarHBondContact O-N 3.42Å; S36-L40 PolarHBondContact O-N 3.41Å; S36-V67 WeakPolarHBondContact OG-CG2 3.31Å; S36-V119 WeakPolarHBondContact CB-O 3.4Å
37L98.4Very high97.3Very high14 Ų1435 Ų357%0.07316%0.159CC..Hα-helixtrans-55.6-44.6-176.5176.563.7000115.2D33 H39 L40 R41 P66 V67 H70D33-L37 PolarHBondContact O-N 3.4Å; D33-L37 VanDerWaalsContact O-N 3.17Å; L37-H39 PolarHBondContact O-N 3.47Å; L37-L40 PolarHBondContact O-N 2.85Å; L37-R41 HydrophobicContact CD1-CG 4.38Å; L37-R41 PolarHBondContact O-N 3.24Å; L37-P66 HydrophobicContact CD2-CB 4.14Å; L37-V67 HydrophobicContact CB-CG2 4.05Å; L37-V67 HydrophobicContact CD1-CG2 4.43Å; L37-H70 HydrophobicContact CD1-CB 3.6Å
38P98.6Very high97.2Very high39 Ų3939.5 Ų39.525%0.25319%0.19SC..Hα-helixtrans-61.6-29.8176.5-26.135.8000114Y34 Y35 A42 M210 I214Y34-P38 WeakPolarHBondContact O-CD 3.07Å; Y35-P38 WeakPolarHBondContact O-CD 3.43Å; P38-A42 WeakPolarHBondContact O-CB 3.16Å; P38-A42 PolarHBondContact O-N 2.91Å; P38-M210 HydrophobicContact CB-CE 4.38Å; P38-M210 HydrophobicContact CB-CG 3.9Å; P38-M210 HydrophobicContact CB-SD 3.68Å; P38-M210 HydrophobicContact CG-CE 4Å; P38-M210 HydrophobicContact CG-CG 4.27Å; P38-M210 HydrophobicContact CG-SD 3.97Å; P38-I214 HydrophobicContact CB-CD1 4.18Å
39H98.7Very high97Very high0 Ų045.2 Ų45.20%022%0.217CC..Hα-helixtrans-68.5-42.8176.2-60.580.8000111.1F29 Y35 S36 L37 A42 L43 V119 M210 S213 M217F29-H39 HydrophobicContact CE2-CB 3.89Å; F29-H39 HydrophobicContact CZ-CB 4.07Å; Y35-H39 AromaticContact CE1-CE1 3.97Å; Y35-H39 PolarHBondContact O-CE1 2.92Å; Y35-H39 PolarHBondContact O-ND1 3.46Å; S36-H39 WeakPolarHBondContact O-CB 3.46Å; S36-H39 PolarHBondContact O-N 3.42Å; L37-H39 PolarHBondContact O-N 3.47Å; H39-A42 PolarHBondContact O-N 3.37Å; H39-L43 PolarHBondContact O-N 3.28Å; H39-L43 VanDerWaalsContact O-N 3.09Å; H39-V119 HydrophobicContact CB-CG2 4.31Å; H39-M210 PolarHBondContact CE1-SD 2.8Å; H39-S213 PolarHBondContact CE1-OG 3.12Å; H39-S213 WeakPolarHBondContact NE2-CB 3.27Å; H39-S213 PolarHBondContact NE2-OG 3.09Å; H39-M217 HydrophobicContact CB-CE 4.32Å; H39-M217 HydrophobicContact CB-SD 4.01Å
40L98.6Very high96.7Very high0 Ų048.4 Ų48.40%023%0.232CC..Hα-helixtrans-59.2-49.1173.5173.458.8000111.3F29 S36 L37 A42 L43 E44 L55 V58 V67 I76F29-L40 HydrophobicContact CD1-CB 4.15Å; F29-L40 HydrophobicContact CD1-CD1 4.26Å; F29-L40 HydrophobicContact CE1-CB 3.86Å; F29-L40 HydrophobicContact CG-CD1 4.41Å; F29-L40 HydrophobicContact CZ-CB 4.1Å; S36-L40 PolarHBondContact O-N 3.41Å; L37-L40 PolarHBondContact O-N 2.85Å; L40-A42 VanDerWaalsContact C-N 3.28Å; L40-A42 PolarHBondContact O-N 3.02Å; L40-L43 WeakPolarHBondContact O-CB 3.24Å; L40-L43 PolarHBondContact O-N 3.26Å; L40-L43 VanDerWaalsContact O-N 3.08Å; L40-E44 HydrophobicContact CD1-CG 4.38Å; L40-E44 PolarHBondContact O-N 3.17Å; L40-L55 HydrophobicContact CD1-CD2 3.51Å; L40-V58 HydrophobicContact CD1-CG2 3.63Å; L40-V58 HydrophobicContact CD2-CG2 4Å; L40-V67 HydrophobicContact CD2-CG1 3.9Å; L40-I76 HydrophobicContact CD2-CD1 4.48Å
41R98.3Very high96.2Very high130 Ų13057.7 Ų57.749%0.49127%0.272SS..Hα-helixtrans-59.1-40.1178.6-72178.9175.3179.3-4.1112.5L37 L43 E44 E45L37-R41 HydrophobicContact CD1-CG 4.38Å; L37-R41 PolarHBondContact O-N 3.24Å; R41-L43 VanDerWaalsContact C-N 3.34Å; R41-L43 PolarHBondContact O-N 3.2Å; R41-E44 PolarHBondContact O-N 3.38Å; R41-E45 WeakPolarHBondContact O-CB 3.44Å; R41-E45 PolarHBondContact O-N 3.44Å
42A98.3Very high95.9Very high14 Ų1459.5 Ų59.512%0.11628%0.282CS..Hα-helixtrans-64.4-38.2176.800000112P38 H39 L40 H46 I214 M217 F218P38-A42 WeakPolarHBondContact O-CB 3.16Å; P38-A42 PolarHBondContact O-N 2.91Å; H39-A42 PolarHBondContact O-N 3.37Å; L40-A42 VanDerWaalsContact C-N 3.28Å; L40-A42 PolarHBondContact O-N 3.02Å; A42-H46 VanDerWaalsContact O-CB 3.31Å; A42-H46 WeakPolarHBondContact O-CB 3.43Å; A42-H46 PolarHBondContact O-N 3.5Å; A42-I214 HydrophobicContact CB-CD1 4.24Å; A42-I214 HydrophobicContact CB-CG1 4.42Å; A42-I214 HydrophobicContact CB-CG2 3.64Å; A42-M217 HydrophobicContact CB-CE 4.49Å; A42-F218 HydrophobicContact CB-CE2 3.97Å; A42-F218 HydrophobicContact CB-CZ 4.31Å; A42-F218 WeakPolarHBondContact O-CZ 3.38Å
43L97.8Very high95.7Very high1 Ų159.4 Ų59.41%0.00528%0.281CS..Hα-helixtrans-64.2-43.5173.6-73.3168.1000112.1V27 F29 H39 L40 R41 H46 Q47 I53 M217 F218 I221V27-L43 HydrophobicContact CG1-CD1 4.21Å; F29-L43 HydrophobicContact CD2-CD1 3.67Å; F29-L43 HydrophobicContact CE2-CD1 4.32Å; F29-L43 HydrophobicContact CG-CD1 4.4Å; H39-L43 PolarHBondContact O-N 3.28Å; H39-L43 VanDerWaalsContact O-N 3.09Å; L40-L43 WeakPolarHBondContact O-CB 3.24Å; L40-L43 PolarHBondContact O-N 3.26Å; L40-L43 VanDerWaalsContact O-N 3.08Å; R41-L43 VanDerWaalsContact C-N 3.34Å; R41-L43 PolarHBondContact O-N 3.2Å; L43-H46 PolarHBondContact O-N 2.95Å; L43-Q47 WeakPolarHBondContact O-CB 3.34Å; L43-Q47 PolarHBondContact O-N 3.22Å; L43-I53 HydrophobicContact CD2-CG2 4.24Å; L43-M217 HydrophobicContact CD1-CE 4.39Å; L43-M217 HydrophobicContact CD1-SD 4.29Å; L43-M217 HydrophobicContact CD2-CE 4.03Å; L43-M217 HydrophobicContact CG-CE 3.79Å; L43-M217 HydrophobicContact CG-SD 4.32Å; L43-F218 HydrophobicContact CD2-CE1 4.03Å; L43-F218 HydrophobicContact CD2-CZ 4.29Å; L43-I221 HydrophobicContact CD2-CD1 3.94Å
44E97.1Very high95.6Very high53 Ų5359.8 Ų59.825%0.24828%0.281CS..Hα-helixtrans-61.9-46.3176.4-67176.793.400111.8L40 R41 Q47 S48 L55 H70 I76L40-E44 HydrophobicContact CD1-CG 4.38Å; L40-E44 PolarHBondContact O-N 3.17Å; R41-E44 PolarHBondContact O-N 3.38Å; E44-Q47 PolarHBondContact O-N 3.02Å; E44-S48 PolarHBondContact O-N 2.93Å; E44-L55 HydrophobicContact CG-CD2 4.15Å; E44-H70 IonicContact OE1-NE2 3.22Å; E44-H70 IonicContact OE2-CD2 2.8Å; E44-H70 IonicContact OE2-CE1 3.67Å; E44-H70 IonicContact OE2-NE2 3.91Å; E44-H70 PolarHBondContact OE2-NE2 2.81Å; E44-I76 WeakPolarHBondContact OE1-CD1 3.39Å
45E96.7Very high95.5Very high116 Ų11651.9 Ų51.954%0.54225%0.251SS..Hα-helixtrans-61.3-47.8177.4-177.1176.2-174.600110.9R41 Q47 S48 Q49R41-E45 WeakPolarHBondContact O-CB 3.44Å; R41-E45 PolarHBondContact O-N 3.44Å; E45-Q47 PolarHBondContact O-N 3.27Å; E45-S48 WeakPolarHBondContact O-CB 3.42Å; E45-S48 PolarHBondContact O-N 3.42Å; E45-S48 VanDerWaalsContact O-N 3.15Å; E45-S48 PolarHBondContact O-OG 2.98Å; E45-Q49 WeakPolarHBondContact O-CG 3.34Å; E45-Q49 PolarHBondContact O-N 3.29Å
46H96.3Very high95.4Very high25 Ų2551.8 Ų51.812%0.11625%0.252CS..Hα-helixtrans-61.2-45.2178.3-173.597000111.9A42 L43 S48 Q49 H50 D52 F218A42-H46 VanDerWaalsContact O-CB 3.31Å; A42-H46 WeakPolarHBondContact O-CB 3.43Å; A42-H46 PolarHBondContact O-N 3.5Å; L43-H46 PolarHBondContact O-N 2.95Å; H46-S48 PolarHBondContact O-N 3.05Å; H46-Q49 CarbonylContact O-C 3.4Å; H46-Q49 PolarHBondContact O-N 3.12Å; H46-H50 AromaticContact CE1-CD2 3.34Å; H46-H50 PolarHBondContact CE1-CD2 3.04Å; H46-H50 AromaticContact CE1-CG 3.83Å; H46-H50 AromaticContact CG-CD2 3.97Å; H46-H50 AromaticContact ND1-CD2 3.54Å; H46-H50 WeakPolarHBondContact NE2-CB 3.25Å; H46-H50 AromaticContact NE2-CD2 3.68Å; H46-H50 AromaticContact NE2-CG 3.79Å; H46-H50 PolarHBondContact O-N 3.26Å; H46-D52 IonicContact CD2-OD1 3.73Å; H46-D52 PolarHBondContact CD2-OD1 3.06Å; H46-D52 IonicContact CE1-OD1 2.7Å; H46-D52 IonicContact NE2-OD1 3.61Å; H46-D52 PolarHBondContact NE2-OD1 3.31Å; H46-D52 IonicContact NE2-OD2 3.75Å; H46-F218 HydrophobicContact CB-CE1 3.69Å; H46-F218 HydrophobicContact CB-CZ 3.59Å; H46-F218 AromaticContact CG-CE1 3.57Å; H46-F218 AromaticContact CG-CZ 3.94Å; H46-F218 AromaticContact ND1-CE1 3.76Å
47Q93.3Very high95.3Very high76 Ų7651.8 Ų51.836%0.35525%0.252SS..Hα-helixtrans-60.9-31.5176.6175.9178.7-22.100112.6L43 E44 E45 Q49 H50 L55L43-Q47 WeakPolarHBondContact O-CB 3.34Å; L43-Q47 PolarHBondContact O-N 3.22Å; E44-Q47 PolarHBondContact O-N 3.02Å; E45-Q47 PolarHBondContact O-N 3.27Å; Q47-Q49 VanDerWaalsContact C-N 3.27Å; Q47-Q49 PolarHBondContact O-N 3.21Å; Q47-H50 CarbonylContact C-O 3.51Å; Q47-H50 VanDerWaalsContact O-O 3.09Å; Q47-L55 VanDerWaalsContact OE1-CB 3.25Å
48S92.9Very high95.3Very high95 Ų9551.1 Ų51.166%0.66425%0.249SC*.Hα-helixtrans-70-26.1175.678.80000112.9E44 E45 H46E44-S48 PolarHBondContact O-N 2.93Å; E45-S48 WeakPolarHBondContact O-CB 3.42Å; E45-S48 PolarHBondContact O-N 3.42Å; E45-S48 VanDerWaalsContact O-N 3.15Å; E45-S48 PolarHBondContact O-OG 2.98Å; H46-S48 PolarHBondContact O-N 3.05Å
49Q93.2Very high95.3Very high119 Ų11949.2 Ų49.256%0.55624%0.237SC*.Hα-helixtrans-99.7-30.6-175.9-66.1172.63.700112.7E45 H46 Q47E45-Q49 WeakPolarHBondContact O-CG 3.34Å; E45-Q49 PolarHBondContact O-N 3.29Å; H46-Q49 CarbonylContact O-C 3.4Å; H46-Q49 PolarHBondContact O-N 3.12Å; Q47-Q49 VanDerWaalsContact C-N 3.27Å; Q47-Q49 PolarHBondContact O-N 3.21Å
50H91.7Very high95.2Very high68 Ų6849.2 Ų49.232%0.31524%0.237SC..  trans-134.3142.7-171.7-57-73.5000111.1H46 Q47 D52H46-H50 AromaticContact CE1-CD2 3.34Å; H46-H50 PolarHBondContact CE1-CD2 3.04Å; H46-H50 AromaticContact CE1-CG 3.83Å; H46-H50 AromaticContact CG-CD2 3.97Å; H46-H50 AromaticContact ND1-CD2 3.54Å; H46-H50 WeakPolarHBondContact NE2-CB 3.25Å; H46-H50 AromaticContact NE2-CD2 3.68Å; H46-H50 AromaticContact NE2-CG 3.79Å; H46-H50 PolarHBondContact O-N 3.26Å; Q47-H50 CarbonylContact C-O 3.51Å; Q47-H50 VanDerWaalsContact O-O 3.09Å; H50-D52 VanDerWaalsContact CB-OD1 3.26Å; H50-D52 WeakPolarHBondContact CB-OD1 3.4Å
51K87.9Confident95.1Very high194 Ų19449.5 Ų49.584%0.84324%0.238SC*.SBendtrans-94.78.5-178.9-65-170.8177.6-176.40114I24I24-K51 WeakPolarHBondContact CG1-O 3.37Å
52D91.6Very high94.9Very high38 Ų3845.3 Ų45.320%0.20323%0.229CC..SBendtrans-84.6-20.2-175.956.3-3.5000113.5I25 H46 H50 L222I25-D52 PolarHBondContact N-O 3.14Å; H46-D52 IonicContact CD2-OD1 3.73Å; H46-D52 PolarHBondContact CD2-OD1 3.06Å; H46-D52 IonicContact CE1-OD1 2.7Å; H46-D52 IonicContact NE2-OD1 3.61Å; H46-D52 PolarHBondContact NE2-OD1 3.31Å; H46-D52 IonicContact NE2-OD2 3.75Å; H50-D52 VanDerWaalsContact CB-OD1 3.26Å; H50-D52 WeakPolarHBondContact CB-OD1 3.4Å; D52-L222 VanDerWaalsContact OD2-CD2 3.23Å; D52-L222 WeakPolarHBondContact OD2-CD2 3.47Å
53I93.5Very high94.7Very high3 Ų348.2 Ų48.22%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-123.6135.9176.1-61.3172.4000109.7I25 V27 L43 F218 I221 L222I25-I53 WeakPolarHBondContact O-CA 3.28Å; V27-I53 HydrophobicContact CG2-CG2 3.87Å; L43-I53 HydrophobicContact CD2-CG2 4.24Å; I53-F218 HydrophobicContact CD1-CD1 3.84Å; I53-F218 HydrophobicContact CD1-CE1 3.75Å; I53-I221 HydrophobicContact CD1-CB 4.35Å; I53-I221 HydrophobicContact CD1-CG2 3.5Å; I53-I221 VanDerWaalsContact CD1-CG2 3.5Å; I53-I221 HydrophobicContact CG1-CG2 3.84Å; I53-L222 HydrophobicContact CD1-CD2 3.69Å; I53-L222 HydrophobicContact CD1-CG 4.25Å; I53-L222 HydrophobicContact CG1-CD2 3.96Å
54Q93.4Very high94.6Very high62 Ų6257.6 Ų57.629%0.2928%0.283SS..EExtended strand (participates in β ladder)trans-125.9112.6173.1-175.3-176.117.400110I24 I25 S26 V27 L56I24-Q54 HydrophobicContact CG2-CB 3.88Å; I25-Q54 PolarHBondContact O-N 3.47Å; S26-Q54 CarbonylContact C-O 3.52Å; S26-Q54 WeakPolarHBondContact CA-O 3.4Å; V27-Q54 PolarHBondContact N-O 3.26Å; Q54-L56 HydrophobicContact CG-CD2 4.08Å; Q54-L56 PolarHBondContact O-N 2.96Å
55L95.2Very high94.5Very high19 Ų1956.2 Ų56.210%0.09928%0.279CS..EExtended strand (participates in β ladder)trans-72.7115.7167.8-17967.6000109.2V27 F29 L40 E44 Q47 V58 I76V27-L55 HydrophobicContact CG1-CD1 4.25Å; F29-L55 HydrophobicContact CB-CD1 3.79Å; L40-L55 HydrophobicContact CD1-CD2 3.51Å; E44-L55 HydrophobicContact CG-CD2 4.15Å; Q47-L55 VanDerWaalsContact OE1-CB 3.25Å; L55-V58 HydrophobicContact CD2-CG2 4.33Å; L55-I76 HydrophobicContact CD2-CG2 4.44Å
56L94Very high94.5Very high21 Ų2151.9 Ų51.911%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-80.3-54.2-179.6-66.7-169.6000111.9V27 V28 Q54 L102 L114V27-L56 PolarHBondContact O-N 3.36Å; V28-L56 HydrophobicContact CG2-CB 4.44Å; Q54-L56 HydrophobicContact CG-CD2 4.08Å; Q54-L56 PolarHBondContact O-N 2.96Å; L56-L102 HydrophobicContact CB-CD1 3.74Å; L56-L102 HydrophobicContact CD1-CD1 4.24Å; L56-L102 HydrophobicContact CD2-CD1 4.21Å; L56-L102 HydrophobicContact CG-CD1 4.28Å; L56-L114 HydrophobicContact CD1-CD1 3.7Å
57F96.3Very high94.6Very high0 Ų050.7 Ų50.70%026%0.255CS..EExtended strand (participates in β ladder)trans-165.5169.5176.458.5-88.5000110.5V28 F29 V59 D77 V79 V95 R98 I99 L102V28-F57 HydrophobicContact CB-CZ 4.46Å; V28-F57 HydrophobicContact CG1-CD2 3.86Å; V28-F57 HydrophobicContact CG1-CE1 4.48Å; V28-F57 HydrophobicContact CG1-CE2 3.47Å; V28-F57 VanDerWaalsContact CG1-CE2 3.47Å; V28-F57 HydrophobicContact CG1-CZ 3.83Å; V28-F57 HydrophobicContact CG2-CD1 4.31Å; V28-F57 HydrophobicContact CG2-CE1 3.76Å; V28-F57 HydrophobicContact CG2-CE2 4.23Å; V28-F57 HydrophobicContact CG2-CZ 3.72Å; F29-F57 PolarHBondContact N-O 3.02Å; F57-V59 HydrophobicContact CD2-CG2 4.16Å; F57-V59 HydrophobicContact CE2-CG2 3.89Å; F57-D77 WeakPolarHBondContact CA-O 3.25Å; F57-D77 HydrophobicContact CB-CB 3.98Å; F57-D77 VanDerWaalsContact CB-O 3.32Å; F57-D77 WeakPolarHBondContact CB-O 3.36Å; F57-V79 HydrophobicContact CD2-CG2 3.86Å; F57-V79 HydrophobicContact CE2-CG2 3.83Å; F57-V95 HydrophobicContact CE2-CG1 4.23Å; F57-V95 HydrophobicContact CE2-CG2 4.43Å; F57-V95 HydrophobicContact CZ-CG1 3.92Å; F57-R98 HydrophobicContact CD1-CB 4.04Å; F57-R98 HydrophobicContact CE1-CB 3.67Å; F57-R98 HydrophobicContact CE2-CB 4.41Å; F57-R98 HydrophobicContact CZ-CB 3.87Å; F57-I99 HydrophobicContact CE1-CG1 3.89Å; F57-I99 HydrophobicContact CZ-CG1 3.98Å; F57-L102 HydrophobicContact CD1-CD1 3.84Å; F57-L102 HydrophobicContact CE1-CD1 4.26Å
58V98.1Very high94.8Very high0 Ų047.1 Ų47.10%024%0.238CC..EExtended strand (participates in β ladder)trans-109143.1180176.10000111F29 L40 L55 V67 I76 D77 H78 V79F29-V58 HydrophobicContact CB-CG2 4.39Å; F29-V58 HydrophobicContact CD1-CG1 4.15Å; F29-V58 CarbonylContact O-C 3.59Å; F29-V58 WeakPolarHBondContact O-CA 3.49Å; L40-V58 HydrophobicContact CD1-CG2 3.63Å; L40-V58 HydrophobicContact CD2-CG2 4Å; L55-V58 HydrophobicContact CD2-CG2 4.33Å; V58-V67 HydrophobicContact CG1-CG1 3.62Å; V58-I76 HydrophobicContact CG2-CG2 3.94Å; V58-D77 PolarHBondContact N-O 2.94Å; V58-H78 HydrophobicContact CB-CB 4.15Å; V58-H78 CarbonylContact O-C 3.54Å; V58-H78 WeakPolarHBondContact O-CA 3.44Å; V58-H78 VanDerWaalsContact O-CB 3.28Å; V58-H78 WeakPolarHBondContact O-CB 3.44Å; V58-V79 PolarHBondContact O-N 2.75Å
59V97.6Very high95.1Very high0 Ų049.1 Ų49.10%023%0.232CC..EExtended strand (participates in β ladder)trans-112.9120.8169.2-173.10000108.4V28 F29 F30 G31 F57 V79 W81 V95 F121V28-V59 HydrophobicContact CG1-CG2 3.89Å; F29-V59 PolarHBondContact O-N 2.93Å; F30-V59 WeakPolarHBondContact CA-O 3.26Å; F30-V59 HydrophobicContact CD1-CB 3.5Å; F30-V59 VanDerWaalsContact CD1-CB 3.5Å; F30-V59 HydrophobicContact CD1-CG1 3.81Å; F30-V59 HydrophobicContact CD1-CG2 3.87Å; F30-V59 HydrophobicContact CE1-CB 3.74Å; F30-V59 HydrophobicContact CE1-CG1 3.95Å; F30-V59 HydrophobicContact CE1-CG2 3.59Å; F30-V59 HydrophobicContact CG-CB 4.15Å; F30-V59 HydrophobicContact CZ-CG2 4.03Å; G31-V59 PolarHBondContact N-O 3.07Å; G31-V59 VanDerWaalsContact O-O 3.11Å; F57-V59 HydrophobicContact CD2-CG2 4.16Å; F57-V59 HydrophobicContact CE2-CG2 3.89Å; V59-V79 WeakPolarHBondContact CA-O 3.2Å; V59-V79 HydrophobicContact CG1-CB 4.32Å; V59-V79 HydrophobicContact CG2-CB 4.2Å; V59-V79 HydrophobicContact CG2-CG2 4.32Å; V59-W81 HydrophobicContact CG1-CB 4.31Å; V59-W81 HydrophobicContact CG1-CE3 4.36Å; V59-V95 HydrophobicContact CG2-CG2 4.18Å; V59-F121 HydrophobicContact CB-CZ 4.48Å; V59-F121 HydrophobicContact CG1-CE2 4.09Å; V59-F121 HydrophobicContact CG1-CZ 3.69Å; V59-F121 VanDerWaalsContact O-CE2 3.32Å; V59-F121 WeakPolarHBondContact O-CE2 3.36Å
60T97.4Very high95.3Very high0 Ų044.2 Ų44.20%021%0.209CC..EExtended strand (participates in β ladder)trans-132161.2-179.2-175.10000111.8G31 S32 T65 V79 I80 W81G31-T60 VanDerWaalsContact O-CA 3.23Å; G31-T60 WeakPolarHBondContact O-CA 3.46Å; G31-T60 VanDerWaalsContact O-CB 3.25Å; G31-T60 WeakPolarHBondContact O-CB 3.27Å; G31-T60 PolarHBondContact O-OG1 2.83Å; S32-T60 PolarHBondContact OG-OG1 3.38Å; T60-T65 PolarHBondContact OG1-OG1 3.49Å; T60-V79 PolarHBondContact N-O 3.23Å; T60-I80 HydrophobicContact CG2-CD1 3.36Å; T60-I80 CarbonylContact O-C 3.51Å; T60-I80 WeakPolarHBondContact O-CA 3.4Å; T60-W81 PolarHBondContact O-N 3.37Å
61T95.7Very high95.6Very high6 Ų641 Ų414%0.03719%0.194CC..SBendtrans-84.3-18.9-174.353.20000114.2S32 W81 P82 F121 R123S32-T61 WeakPolarHBondContact CB-OG1 3.3Å; S32-T61 WeakPolarHBondContact OG-CG2 3.16Å; S32-T61 PolarHBondContact OG-N 2.92Å; S32-T61 PolarHBondContact OG-OG1 3.35Å; T61-W81 WeakPolarHBondContact CA-O 3.29Å; T61-P82 WeakPolarHBondContact O-CA 3.24Å; T61-F121 HydrophobicContact CG2-CD2 4.3Å; T61-F121 HydrophobicContact CG2-CE2 3.92Å; T61-F121 HydrophobicContact CG2-CZ 4.42Å; T61-R123 HydrophobicContact CG2-CG 4.19Å
62S95Very high96.1Very high42 Ų4235.9 Ų35.929%0.29418%0.175SC..  trans-170.6150.7175.6172.70000111.2K64 T65S62-K64 PolarHBondContact O-N 3Å; S62-K64 VanDerWaalsContact O-N 3.16Å; S62-K64 PolarHBondContact OG-N 3.05Å; S62-T65 WeakPolarHBondContact O-CB 3.37Å; S62-T65 WeakPolarHBondContact O-CG2 3.35Å; S62-T65 PolarHBondContact O-N 3.04Å; S62-T65 VanDerWaalsContact O-N 3.09Å; S62-T65 PolarHBondContact O-OG1 3.49Å
63D94.2Very high96.3Very high75 Ų7539.3 Ų39.340%0.40119%0.19SC..THydrogen-bonded Turntrans-57.6-25.1171.9-58.1-19.9000113.5T65 G68 Y69 I72 H78 I80D63-T65 VanDerWaalsContact C-N 3.26Å; D63-T65 PolarHBondContact O-N 3.49Å; D63-G68 CarbonylContact O-C 3.59Å; D63-Y69 PolarHBondContact O-N 2.95Å; D63-I72 HydrophobicContact CB-CD1 3.68Å; D63-H78 IonicContact OD1-NE2 2.79Å; D63-I80 WeakPolarHBondContact OD1-CD1 3.22Å; D63-I80 VanDerWaalsContact OD1-CG1 3.22Å; D63-I80 WeakPolarHBondContact OD1-CG1 3.02Å
64K94.9Very high96.5Very high198 Ų19843.2 Ų43.286%0.86121%0.211SC*.THydrogen-bonded Turntrans-80.7-6.6-179.2-59.8-176.4-179.9-178.40113.4S62S62-K64 PolarHBondContact O-N 3Å; S62-K64 VanDerWaalsContact O-N 3.16Å; S62-K64 PolarHBondContact OG-N 3.05Å
65T95.8Very high96.6Very high24 Ų2449.6 Ų49.615%0.14724%0.238CC..SBendtrans-80.9154.7178.865.60000110.5S32 T60 S62 D63 V67 G68 Y69S32-T65 WeakPolarHBondContact O-CB 3.38Å; S32-T65 PolarHBondContact O-OG1 2.9Å; T60-T65 PolarHBondContact OG1-OG1 3.49Å; S62-T65 WeakPolarHBondContact O-CB 3.37Å; S62-T65 WeakPolarHBondContact O-CG2 3.35Å; S62-T65 PolarHBondContact O-N 3.04Å; S62-T65 VanDerWaalsContact O-N 3.09Å; S62-T65 PolarHBondContact O-OG1 3.49Å; D63-T65 VanDerWaalsContact C-N 3.26Å; D63-T65 PolarHBondContact O-N 3.49Å; T65-V67 PolarHBondContact O-N 2.91Å; T65-G68 PolarHBondContact O-N 3.01Å; T65-G68 PolarHBondContact OG1-N 2.6Å; T65-Y69 WeakPolarHBondContact O-CB 3.41Å; T65-Y69 PolarHBondContact O-N 2.79Å
66P97.4Very high96.7Very high25 Ų2549.9 Ų49.916%0.16224%0.239CC..Hα-helixtrans-50.9-41.7177.8-30.636.3000114.2S32 Y34 L37 H70S32-P66 WeakPolarHBondContact O-CD 3.32Å; Y34-P66 HydrophobicContact CD1-CB 3.79Å; Y34-P66 HydrophobicContact CD1-CG 3.74Å; Y34-P66 HydrophobicContact CD2-CB 4.42Å; Y34-P66 HydrophobicContact CD2-CG 3.48Å; Y34-P66 VanDerWaalsContact CD2-CG 3.48Å; Y34-P66 HydrophobicContact CE1-CB 3.87Å; Y34-P66 HydrophobicContact CE1-CG 3.72Å; Y34-P66 HydrophobicContact CE2-CB 4.48Å; Y34-P66 HydrophobicContact CE2-CG 3.45Å; Y34-P66 VanDerWaalsContact CE2-CG 3.45Å; Y34-P66 HydrophobicContact CG-CB 4.08Å; Y34-P66 HydrophobicContact CG-CG 3.62Å; L37-P66 HydrophobicContact CD2-CB 4.14Å; P66-H70 WeakPolarHBondContact O-CB 3.42Å; P66-H70 PolarHBondContact O-N 2.87Å; P66-H70 VanDerWaalsContact O-N 3.12Å
67V98.2Very high96.7Very high0 Ų052.5 Ų52.50%025%0.253CS..Hα-helixtrans-69.3-45.7175.8171.90000111.5S32 S36 L37 L40 V58 T65 Y69 H70 C71S32-V67 WeakPolarHBondContact O-CB 3.47Å; S32-V67 WeakPolarHBondContact O-CG2 3.13Å; S32-V67 PolarHBondContact O-N 2.85Å; S36-V67 WeakPolarHBondContact OG-CG2 3.31Å; L37-V67 HydrophobicContact CB-CG2 4.05Å; L37-V67 HydrophobicContact CD1-CG2 4.43Å; L40-V67 HydrophobicContact CD2-CG1 3.9Å; V58-V67 HydrophobicContact CG1-CG1 3.62Å; T65-V67 PolarHBondContact O-N 2.91Å; V67-Y69 PolarHBondContact O-N 3.03Å; V67-H70 PolarHBondContact O-N 2.92Å; V67-C71 PolarHBondContact O-N 3.43Å; V67-C71 PolarHBondContact O-SG 3.12Å
68G97.5Very high96.7Very high0 Ų054.4 Ų54.40%026%0.262CS..Hα-helixtrans-61.1-43.6179.200000112.9D63 T65 H70 C71 I72D63-G68 CarbonylContact O-C 3.59Å; T65-G68 PolarHBondContact O-N 3.01Å; T65-G68 PolarHBondContact OG1-N 2.6Å; G68-H70 PolarHBondContact O-N 2.78Å; G68-C71 PolarHBondContact O-N 2.75Å; G68-I72 WeakPolarHBondContact O-CG1 3.5Å; G68-I72 PolarHBondContact O-N 3.29Å
69Y97.7Very high96.7Very high138 Ų13854.6 Ų54.654%0.54126%0.263SS..Hα-helixtrans-60.8-45.6175-175.9-103.1000111.7D63 T65 V67 C71 I72 Q73D63-Y69 PolarHBondContact O-N 2.95Å; T65-Y69 WeakPolarHBondContact O-CB 3.41Å; T65-Y69 PolarHBondContact O-N 2.79Å; V67-Y69 PolarHBondContact O-N 3.03Å; Y69-C71 VanDerWaalsContact C-N 3.35Å; Y69-C71 PolarHBondContact O-N 2.74Å; Y69-I72 PolarHBondContact O-N 2.9Å; Y69-Q73 HydrophobicContact CD1-CG 4.19Å; Y69-Q73 HydrophobicContact CE1-CG 3.87Å; Y69-Q73 HydrophobicContact CE2-CG 4.34Å; Y69-Q73 VanDerWaalsContact CZ-CD 3.42Å; Y69-Q73 WeakPolarHBondContact O-CG 3.37Å; Y69-Q73 PolarHBondContact O-N 3.03Å; Y69-Q73 PolarHBondContact OH-NE2 3.12Å
70H98.2Very high96.5Very high15 Ų1557 Ų577%0.06928%0.276CS..Hα-helixtrans-60.8-41.6176.4-178.989.1000112.1L37 E44 P66 V67 G68 Q73 N74L37-H70 HydrophobicContact CD1-CB 3.6Å; E44-H70 IonicContact OE1-NE2 3.22Å; E44-H70 IonicContact OE2-CD2 2.8Å; E44-H70 IonicContact OE2-CE1 3.67Å; E44-H70 IonicContact OE2-NE2 3.91Å; E44-H70 PolarHBondContact OE2-NE2 2.81Å; P66-H70 WeakPolarHBondContact O-CB 3.42Å; P66-H70 PolarHBondContact O-N 2.87Å; P66-H70 VanDerWaalsContact O-N 3.12Å; V67-H70 PolarHBondContact O-N 2.92Å; G68-H70 PolarHBondContact O-N 2.78Å; H70-Q73 PolarHBondContact O-N 3.34Å; H70-N74 PolarHBondContact CE1-ND2 2.54Å; H70-N74 PolarHBondContact ND1-ND2 2.8Å; H70-N74 PolarHBondContact O-N 2.81Å; H70-N74 PolarHBondContact O-ND2 2.75Å
71C98.1Very high96.4Very high0 Ų057.2 Ų57.20%028%0.276CS..Hα-helixtrans-61.7-44.3176.2-67.10000112.4V67 G68 Y69 K75 I76 H78V67-C71 PolarHBondContact O-N 3.43Å; V67-C71 PolarHBondContact O-SG 3.12Å; G68-C71 PolarHBondContact O-N 2.75Å; Y69-C71 VanDerWaalsContact C-N 3.35Å; Y69-C71 PolarHBondContact O-N 2.74Å; C71-K75 CarbonylContact O-C 3.5Å; C71-K75 WeakPolarHBondContact O-CA 3.45Å; C71-K75 PolarHBondContact O-N 3.21Å; C71-I76 HydrophobicContact CB-CB 4.1Å; C71-I76 PolarHBondContact O-N 2.94Å; C71-H78 HydrophobicContact CB-CB 4.16Å
72I97.4Very high96.2Very high87 Ų8759.2 Ų59.245%0.44629%0.29SS..Hα-helixtrans-64.5-47.3178.2-67.6165.8000110.9D63 G68 Y69 N74 K75D63-I72 HydrophobicContact CB-CD1 3.68Å; G68-I72 WeakPolarHBondContact O-CG1 3.5Å; G68-I72 PolarHBondContact O-N 3.29Å; Y69-I72 PolarHBondContact O-N 2.9Å; I72-N74 VanDerWaalsContact C-N 3.34Å; I72-N74 PolarHBondContact O-N 3.33Å; I72-K75 PolarHBondContact O-N 3.36Å
73Q97.1Very high95.8Very high110 Ų11065.9 Ų65.951%0.51431%0.308SS..Hα-helixtrans-60.8-42-179-74.6-167.7-50.600112.7Y69 H70Y69-Q73 HydrophobicContact CD1-CG 4.19Å; Y69-Q73 HydrophobicContact CE1-CG 3.87Å; Y69-Q73 HydrophobicContact CE2-CG 4.34Å; Y69-Q73 VanDerWaalsContact CZ-CD 3.42Å; Y69-Q73 WeakPolarHBondContact O-CG 3.37Å; Y69-Q73 PolarHBondContact O-N 3.03Å; Y69-Q73 PolarHBondContact OH-NE2 3.12Å; H70-Q73 PolarHBondContact O-N 3.34Å
74N96.8Very high95.4Very high86 Ų8668.3 Ų68.346%0.4633%0.326SS..THydrogen-bonded Turntrans-96.18.4-176.5-61.4-76.7000113.2H70 I72 I76H70-N74 PolarHBondContact CE1-ND2 2.54Å; H70-N74 PolarHBondContact ND1-ND2 2.8Å; H70-N74 PolarHBondContact O-N 2.81Å; H70-N74 PolarHBondContact O-ND2 2.75Å; I72-N74 VanDerWaalsContact C-N 3.34Å; I72-N74 PolarHBondContact O-N 3.33Å; N74-I76 HydrophobicContact CB-CD1 4.22Å; N74-I76 HydrophobicContact CB-CG1 4Å; N74-I76 PolarHBondContact O-N 3.42Å
75K96.5Very high95Very high195 Ų19560.7 Ų60.785%0.84829%0.294SS*.THydrogen-bonded Turntrans54.337.3-179.3-55.7178.4-178.8176.40113.6C71 I72C71-K75 CarbonylContact O-C 3.5Å; C71-K75 WeakPolarHBondContact O-CA 3.45Å; C71-K75 PolarHBondContact O-N 3.21Å; I72-K75 PolarHBondContact O-N 3.36Å
76I96Very high94.4Very high25 Ų2566 Ų6613%0.12833%0.327CS..  trans-78.3129.6174.2-49.8172000108.2L40 E44 L55 V58 C71 N74 H78L40-I76 HydrophobicContact CD2-CD1 4.48Å; E44-I76 WeakPolarHBondContact OE1-CD1 3.39Å; L55-I76 HydrophobicContact CD2-CG2 4.44Å; V58-I76 HydrophobicContact CG2-CG2 3.94Å; C71-I76 HydrophobicContact CB-CB 4.1Å; C71-I76 PolarHBondContact O-N 2.94Å; N74-I76 HydrophobicContact CB-CD1 4.22Å; N74-I76 HydrophobicContact CB-CG1 4Å; N74-I76 PolarHBondContact O-N 3.42Å; I76-H78 PolarHBondContact O-N 3Å; I76-H78 PolarHBondContact O-ND1 3.07Å
77D95.6Very high93.9Very high76 Ų7668.7 Ų68.741%0.40634%0.34SS..  trans-59.9135.9174.3-174.734.5000110.2F57 V58 R98F57-D77 WeakPolarHBondContact CA-O 3.25Å; F57-D77 HydrophobicContact CB-CB 3.98Å; F57-D77 VanDerWaalsContact CB-O 3.32Å; F57-D77 WeakPolarHBondContact CB-O 3.36Å; V58-D77 PolarHBondContact N-O 2.94Å; D77-R98 IonicContact OD1-NE 3.42Å; D77-R98 IonicContact OD2-NE 3.74Å
78H96.5Very high93.4Very high41 Ų4171.5 Ų71.519%0.1936%0.355CS..EExtended strand (participates in β ladder)trans-151.3158.9-177.163.5-81.8000114V58 D63 C71 I76 R98V58-H78 HydrophobicContact CB-CB 4.15Å; V58-H78 CarbonylContact O-C 3.54Å; V58-H78 WeakPolarHBondContact O-CA 3.44Å; V58-H78 VanDerWaalsContact O-CB 3.28Å; V58-H78 WeakPolarHBondContact O-CB 3.44Å; D63-H78 IonicContact OD1-NE2 2.79Å; C71-H78 HydrophobicContact CB-CB 4.16Å; I76-H78 PolarHBondContact O-N 3Å; I76-H78 PolarHBondContact O-ND1 3.07Å; H78-R98 PolarHBondContact O-NE 2.9Å; H78-R98 PolarHBondContact O-NH2 3.04Å
79V96.3Very high93Very high4 Ų473.9 Ų73.92%0.02437%0.372CS..EExtended strand (participates in β ladder)trans-116.9132.1174.1-170.90000108.8F57 V58 V59 T60 I91 A94 V95 R98F57-V79 HydrophobicContact CD2-CG2 3.86Å; F57-V79 HydrophobicContact CE2-CG2 3.83Å; V58-V79 PolarHBondContact O-N 2.75Å; V59-V79 WeakPolarHBondContact CA-O 3.2Å; V59-V79 HydrophobicContact CG1-CB 4.32Å; V59-V79 HydrophobicContact CG2-CB 4.2Å; V59-V79 HydrophobicContact CG2-CG2 4.32Å; T60-V79 PolarHBondContact N-O 3.23Å; V79-I91 HydrophobicContact CB-CD1 4.49Å; V79-I91 HydrophobicContact CG1-CD1 3.33Å; V79-A94 HydrophobicContact CG1-CB 4.02Å; V79-V95 HydrophobicContact CG2-CG2 4.42Å; V79-R98 VanDerWaalsContact CG2-CZ 3.49Å; V79-R98 VanDerWaalsContact CG2-NE 3.34Å
80I95.3Very high92.7Very high51 Ų5172 Ų7226%0.26237%0.37SS..EExtended strand (participates in β ladder)trans-91.4127.7170.8-54.7-55.1000110.2T60 D63 P82T60-I80 HydrophobicContact CG2-CD1 3.36Å; T60-I80 CarbonylContact O-C 3.51Å; T60-I80 WeakPolarHBondContact O-CA 3.4Å; D63-I80 WeakPolarHBondContact OD1-CD1 3.22Å; D63-I80 VanDerWaalsContact OD1-CG1 3.22Å; D63-I80 WeakPolarHBondContact OD1-CG1 3.02Å; I80-P82 HydrophobicContact CG2-CG 3.94Å; I80-P82 WeakPolarHBondContact O-CD 3.36Å
81W95Very high92.3Very high3 Ų371.3 Ų71.31%0.01137%0.367CS..  trans-113.979.4170.7-171.5-10.2000110.3V59 T60 T61 I91 F121 R123 F124 L129V59-W81 HydrophobicContact CG1-CB 4.31Å; V59-W81 HydrophobicContact CG1-CE3 4.36Å; T60-W81 PolarHBondContact O-N 3.37Å; T61-W81 WeakPolarHBondContact CA-O 3.29Å; W81-I91 HydrophobicContact CB-CD1 3.71Å; W81-I91 HydrophobicContact CB-CG1 4.09Å; W81-I91 HydrophobicContact CD2-CB 4.23Å; W81-I91 HydrophobicContact CD2-CD1 4.3Å; W81-I91 HydrophobicContact CD2-CG1 3.66Å; W81-I91 HydrophobicContact CD2-CG2 4.03Å; W81-I91 HydrophobicContact CE3-CD1 4.42Å; W81-I91 HydrophobicContact CE3-CG1 3.63Å; W81-I91 HydrophobicContact CE3-CG2 4.24Å; W81-I91 HydrophobicContact CG-CB 4.4Å; W81-I91 HydrophobicContact CG-CD1 4Å; W81-I91 HydrophobicContact CG-CG1 3.85Å; W81-I91 HydrophobicContact CH2-CG2 4.12Å; W81-I91 HydrophobicContact CZ2-CG2 3.87Å; W81-I91 HydrophobicContact CZ3-CG1 4.28Å; W81-I91 HydrophobicContact CZ3-CG2 4.28Å; W81-F121 HydrophobicContact CB-CZ 4.12Å; W81-F121 HydrophobicContact CD2-CE1 4.25Å; W81-F121 HydrophobicContact CD2-CZ 4.11Å; W81-F121 AromaticContact CE3-CE1 3.48Å; W81-F121 HydrophobicContact CE3-CE1 3.48Å; W81-F121 VanDerWaalsContact CE3-CE1 3.48Å; W81-F121 AromaticContact CE3-CZ 3.54Å; W81-F121 HydrophobicContact CE3-CZ 3.54Å; W81-F121 HydrophobicContact CG-CZ 4.41Å; W81-F121 AromaticContact CZ3-CE1 3.78Å; W81-F121 HydrophobicContact CZ3-CE1 3.78Å; W81-F121 HydrophobicContact CZ3-CZ 4.3Å; W81-R123 HydrophobicContact CD2-CG 4.25Å; W81-R123 HydrophobicContact CH2-CB 4.31Å; W81-R123 HydrophobicContact CZ2-CB 4.34Å; W81-R123 HydrophobicContact CZ3-CB 4.44Å; W81-R123 PolarHBondContact O-NH2 3.33Å; W81-R123 VanDerWaalsContact O-NH2 3.12Å; W81-F124 WeakPolarHBondContact CH2-O 3.36Å; W81-L129 HydrophobicContact CH2-CD2 4.33Å; W81-L129 HydrophobicContact CZ3-CD2 3.86Å
82P90.9Very high92Very high49 Ų4972.6 Ų72.632%0.31837%0.374SS..  trans-59.2137.6-173.5-1929.8000112.4T61 I80 T84 L85 R123T61-P82 WeakPolarHBondContact O-CA 3.24Å; I80-P82 HydrophobicContact CG2-CG 3.94Å; I80-P82 WeakPolarHBondContact O-CD 3.36Å; P82-T84 PolarHBondContact O-N 2.78Å; P82-L85 VanDerWaalsContact O-CB 3.24Å; P82-L85 WeakPolarHBondContact O-CB 3.09Å; P82-L85 PolarHBondContact O-N 3.39Å; P82-R123 PolarHBondContact O-NH2 2.84Å
83R85.8Confident91.7Very high181 Ų18172.7 Ų72.768%0.68338%0.375SS*.THydrogen-bonded Turntrans-49.2-32.9178.9-75.7-170.9-179.51781.3114.9L85 R123R83-L85 VanDerWaalsContact C-N 3.33Å; R83-L85 PolarHBondContact O-N 2.86Å; R83-R123 PolarHBondContact O-NH1 2.95Å
84T87.5Confident91.6Very high126 Ų12668.3 Ų68.377%0.77336%0.357SS*.THydrogen-bonded Turntrans-73.9-16.6178.751.40000114.6P82 T86P82-T84 PolarHBondContact O-N 2.78Å; T84-T86 PolarHBondContact O-N 2.86Å
85L86.1Confident91.3Very high38 Ų3864.2 Ų64.220%0.19934%0.336CS..  trans-71.2112.9-179.5-170.867.9000110.2P82 R83 I90 I91P82-L85 VanDerWaalsContact O-CB 3.24Å; P82-L85 WeakPolarHBondContact O-CB 3.09Å; P82-L85 PolarHBondContact O-N 3.39Å; R83-L85 VanDerWaalsContact C-N 3.33Å; R83-L85 PolarHBondContact O-N 2.86Å; L85-I90 HydrophobicContact CD1-CD1 4Å; L85-I90 HydrophobicContact CD2-CB 4.44Å; L85-I91 HydrophobicContact CD2-CB 4.24Å
86T82.6Confident91.1Very high137 Ų13756.4 Ų56.484%0.8431%0.306SS*.  trans-91.6-29.3177.252.80000112.5T84T84-T86 PolarHBondContact O-N 2.86Å
87N86.8Confident90.9Very high80 Ų8061.3 Ų61.343%0.42833%0.328SS..  trans-89.1112.8-179.4-173.7-0.7000111.4S89N87-S89 VanDerWaalsContact C-N 3.31Å; N87-S89 PolarHBondContact ND2-OG 3.17Å; N87-S89 VanDerWaalsContact ND2-OG 3.13Å; N87-S89 PolarHBondContact O-N 2.98Å; N87-S89 WeakPolarHBondContact OD1-CB 3.25Å; N87-S89 PolarHBondContact OD1-N 2.86Å; N87-S89 PolarHBondContact OD1-OG 2.75Å
88N87.2Confident90.7Very high59 Ų5961 Ų6132%0.31632%0.321SS..Hα-helixtrans-71.1-20.5179-72.6-24.6000113.7I90 I91 I92 P126N88-I90 VanDerWaalsContact C-N 3.3Å; N88-I90 PolarHBondContact O-N 3.32Å; N88-I91 WeakPolarHBondContact O-CG2 3.45Å; N88-I91 PolarHBondContact O-N 2.8Å; N88-I92 HydrophobicContact CB-CD1 4.03Å; N88-I92 VanDerWaalsContact O-CD1 3.26Å; N88-I92 WeakPolarHBondContact O-CD1 3.44Å; N88-I92 WeakPolarHBondContact O-CG1 3.22Å; N88-I92 PolarHBondContact O-N 2.88Å; N88-P126 HydrophobicContact CB-CB 4.46Å; N88-P126 HydrophobicContact CB-CG 4.07Å
89S89.6Confident90.2Very high50 Ų5059.4 Ų59.435%0.3531%0.314SS..Hα-helixtrans-63.3-36.4-175.670.10000112.7N87 I91 I92 N93N87-S89 VanDerWaalsContact C-N 3.31Å; N87-S89 PolarHBondContact ND2-OG 3.17Å; N87-S89 VanDerWaalsContact ND2-OG 3.13Å; N87-S89 PolarHBondContact O-N 2.98Å; N87-S89 WeakPolarHBondContact OD1-CB 3.25Å; N87-S89 PolarHBondContact OD1-N 2.86Å; N87-S89 PolarHBondContact OD1-OG 2.75Å; S89-I91 PolarHBondContact O-N 2.9Å; S89-I92 PolarHBondContact O-N 3.01Å; S89-N93 WeakPolarHBondContact O-CB 2.96Å; S89-N93 PolarHBondContact O-N 2.88Å; S89-N93 PolarHBondContact O-ND2 2.84Å
90I90.9Very high89.8Confident98 Ų9862.9 Ų62.950%0.50333%0.332SS..Hα-helixtrans-61.5-46.2178.4-65.6166.9000110.4L85 N88 A94L85-I90 HydrophobicContact CD1-CD1 4Å; L85-I90 HydrophobicContact CD2-CB 4.44Å; N88-I90 VanDerWaalsContact C-N 3.3Å; N88-I90 PolarHBondContact O-N 3.32Å; I90-A94 WeakPolarHBondContact O-CB 3.19Å; I90-A94 PolarHBondContact O-N 3.24Å
91I91Very high89.3Confident2 Ų266.8 Ų66.81%0.0135%0.348CS..Hα-helixtrans-73.3-37.7-179.1-16869.6000111.9V79 W81 L85 N88 S89 N93 A94 V95V79-I91 HydrophobicContact CB-CD1 4.49Å; V79-I91 HydrophobicContact CG1-CD1 3.33Å; W81-I91 HydrophobicContact CB-CD1 3.71Å; W81-I91 HydrophobicContact CB-CG1 4.09Å; W81-I91 HydrophobicContact CD2-CB 4.23Å; W81-I91 HydrophobicContact CD2-CD1 4.3Å; W81-I91 HydrophobicContact CD2-CG1 3.66Å; W81-I91 HydrophobicContact CD2-CG2 4.03Å; W81-I91 HydrophobicContact CE3-CD1 4.42Å; W81-I91 HydrophobicContact CE3-CG1 3.63Å; W81-I91 HydrophobicContact CE3-CG2 4.24Å; W81-I91 HydrophobicContact CG-CB 4.4Å; W81-I91 HydrophobicContact CG-CD1 4Å; W81-I91 HydrophobicContact CG-CG1 3.85Å; W81-I91 HydrophobicContact CH2-CG2 4.12Å; W81-I91 HydrophobicContact CZ2-CG2 3.87Å; W81-I91 HydrophobicContact CZ3-CG1 4.28Å; W81-I91 HydrophobicContact CZ3-CG2 4.28Å; L85-I91 HydrophobicContact CD2-CB 4.24Å; N88-I91 WeakPolarHBondContact O-CG2 3.45Å; N88-I91 PolarHBondContact O-N 2.8Å; S89-I91 PolarHBondContact O-N 2.9Å; I91-N93 VanDerWaalsContact C-N 3.32Å; I91-N93 PolarHBondContact O-N 3.04Å; I91-A94 PolarHBondContact O-N 3.44Å; I91-V95 HydrophobicContact CG1-CG2 4.38Å; I91-V95 WeakPolarHBondContact O-CG2 3.34Å; I91-V95 PolarHBondContact O-N 3.43Å
92I90.6Very high88.5Confident27 Ų2768.7 Ų68.714%0.13836%0.358CS..Hα-helixtrans-59-48174.9-67156.9000109.6N88 S89 A94 V95 S96 P126 S128 L129N88-I92 HydrophobicContact CB-CD1 4.03Å; N88-I92 VanDerWaalsContact O-CD1 3.26Å; N88-I92 WeakPolarHBondContact O-CD1 3.44Å; N88-I92 WeakPolarHBondContact O-CG1 3.22Å; N88-I92 PolarHBondContact O-N 2.88Å; S89-I92 PolarHBondContact O-N 3.01Å; I92-A94 PolarHBondContact O-N 2.86Å; I92-V95 PolarHBondContact O-N 3.06Å; I92-S96 WeakPolarHBondContact O-CB 3.25Å; I92-S96 PolarHBondContact O-N 2.82Å; I92-P126 HydrophobicContact CD1-CB 4.46Å; I92-P126 HydrophobicContact CD1-CG 3.84Å; I92-P126 HydrophobicContact CG1-CG 3.99Å; I92-S128 WeakPolarHBondContact CD1-OG 3.46Å; I92-L129 HydrophobicContact CG1-CB 4.15Å
93N92.8Very high87.5Confident88 Ų8868.5 Ų68.547%0.47135%0.352SS..Hα-helixtrans-63.3-43.1177.5-69.7-10.1000111.4S89 I91 V95 S96 Q97S89-N93 WeakPolarHBondContact O-CB 2.96Å; S89-N93 PolarHBondContact O-N 2.88Å; S89-N93 PolarHBondContact O-ND2 2.84Å; I91-N93 VanDerWaalsContact C-N 3.32Å; I91-N93 PolarHBondContact O-N 3.04Å; N93-V95 VanDerWaalsContact C-N 3.33Å; N93-V95 PolarHBondContact O-N 3.22Å; N93-S96 PolarHBondContact O-N 3.32Å; N93-Q97 VanDerWaalsContact O-CB 3.26Å; N93-Q97 WeakPolarHBondContact O-CB 3.4Å; N93-Q97 WeakPolarHBondContact O-CG 3.03Å; N93-Q97 PolarHBondContact O-N 2.88Å
94A93Very high86.8Confident18 Ų1864 Ų6415%0.14935%0.349CS..Hα-helixtrans-63.9-35.7179.400000113.4V79 I90 I91 I92 R98V79-A94 HydrophobicContact CG1-CB 4.02Å; I90-A94 WeakPolarHBondContact O-CB 3.19Å; I90-A94 PolarHBondContact O-N 3.24Å; I91-A94 PolarHBondContact O-N 3.44Å; I92-A94 PolarHBondContact O-N 2.86Å; A94-R98 PolarHBondContact O-N 2.78Å; A94-R98 PolarHBondContact O-NH1 2.99Å
95V92.5Very high85.7Confident0 Ų063.1 Ų63.10%034%0.338CS..Hα-helixtrans-74.1-47174.71730000110.4F57 V59 V79 I91 I92 N93 R98 I99 L129 L132F57-V95 HydrophobicContact CE2-CG1 4.23Å; F57-V95 HydrophobicContact CE2-CG2 4.43Å; F57-V95 HydrophobicContact CZ-CG1 3.92Å; V59-V95 HydrophobicContact CG2-CG2 4.18Å; V79-V95 HydrophobicContact CG2-CG2 4.42Å; I91-V95 HydrophobicContact CG1-CG2 4.38Å; I91-V95 WeakPolarHBondContact O-CG2 3.34Å; I91-V95 PolarHBondContact O-N 3.43Å; I92-V95 PolarHBondContact O-N 3.06Å; N93-V95 VanDerWaalsContact C-N 3.33Å; N93-V95 PolarHBondContact O-N 3.22Å; V95-R98 PolarHBondContact O-N 2.78Å; V95-I99 HydrophobicContact CG1-CD1 3.79Å; V95-I99 WeakPolarHBondContact O-CG1 3.43Å; V95-I99 PolarHBondContact O-N 2.97Å; V95-L129 HydrophobicContact CB-CD1 3.88Å; V95-L129 HydrophobicContact CG1-CD1 3.69Å; V95-L129 HydrophobicContact CG2-CD1 4.2Å; V95-L132 HydrophobicContact CG1-CD1 4.29Å
96S91.7Very high84.6Confident31 Ų3164.9 Ų64.922%0.21735%0.348CS..Hα-helixtrans-58-51.1177.4-1670000111.4I92 N93 R98 I99 D100I92-S96 WeakPolarHBondContact O-CB 3.25Å; I92-S96 PolarHBondContact O-N 2.82Å; N93-S96 PolarHBondContact O-N 3.32Å; S96-R98 VanDerWaalsContact C-N 3.25Å; S96-R98 PolarHBondContact O-N 2.82Å; S96-I99 CarbonylContact O-C 3.58Å; S96-I99 WeakPolarHBondContact O-CA 3.23Å; S96-I99 WeakPolarHBondContact O-CB 3.28Å; S96-I99 PolarHBondContact O-N 3.25Å; S96-D100 PolarHBondContact O-N 2.87Å; S96-D100 VanDerWaalsContact O-OD2 3.09Å; S96-D100 PolarHBondContact OG-OD2 3.19Å
97Q91.8Very high83.2Confident128 Ų12864 Ų6460%0.59835%0.348SS*.Hα-helixtrans-59.1-34.8180-74.6174-5.200112.9N93 K101N93-Q97 VanDerWaalsContact O-CB 3.26Å; N93-Q97 WeakPolarHBondContact O-CB 3.4Å; N93-Q97 WeakPolarHBondContact O-CG 3.03Å; N93-Q97 PolarHBondContact O-N 2.88Å; Q97-K101 WeakPolarHBondContact O-CB 3.32Å; Q97-K101 PolarHBondContact O-N 3.48Å
98R91.1Very high81.6Confident70 Ų7065.1 Ų65.126%0.26435%0.353SS..Hα-helixtrans-70-42.4174.3-81.7174.3176.876.1-7.3111.8F57 D77 H78 V79 A94 V95 S96 K101 L102F57-R98 HydrophobicContact CD1-CB 4.04Å; F57-R98 HydrophobicContact CE1-CB 3.67Å; F57-R98 HydrophobicContact CE2-CB 4.41Å; F57-R98 HydrophobicContact CZ-CB 3.87Å; D77-R98 IonicContact OD1-NE 3.42Å; D77-R98 IonicContact OD2-NE 3.74Å; H78-R98 PolarHBondContact O-NE 2.9Å; H78-R98 PolarHBondContact O-NH2 3.04Å; V79-R98 VanDerWaalsContact CG2-CZ 3.49Å; V79-R98 VanDerWaalsContact CG2-NE 3.34Å; A94-R98 PolarHBondContact O-N 2.78Å; A94-R98 PolarHBondContact O-NH1 2.99Å; V95-R98 PolarHBondContact O-N 2.78Å; S96-R98 VanDerWaalsContact C-N 3.25Å; S96-R98 PolarHBondContact O-N 2.82Å; R98-K101 PolarHBondContact O-N 2.96Å; R98-L102 WeakPolarHBondContact O-CB 3.44Å; R98-L102 VanDerWaalsContact O-CG 3.25Å; R98-L102 WeakPolarHBondContact O-CG 3.32Å; R98-L102 PolarHBondContact O-N 3.42Å
99I86.6Confident80.1Confident8 Ų869.5 Ų69.54%0.04138%0.376CS..Hα-helixtrans-59-48.9173.8-67.6162.2000109.9F57 V95 S96 L102 Q103 L114 L132F57-I99 HydrophobicContact CE1-CG1 3.89Å; F57-I99 HydrophobicContact CZ-CG1 3.98Å; V95-I99 HydrophobicContact CG1-CD1 3.79Å; V95-I99 WeakPolarHBondContact O-CG1 3.43Å; V95-I99 PolarHBondContact O-N 2.97Å; S96-I99 CarbonylContact O-C 3.58Å; S96-I99 WeakPolarHBondContact O-CA 3.23Å; S96-I99 WeakPolarHBondContact O-CB 3.28Å; S96-I99 PolarHBondContact O-N 3.25Å; I99-L102 PolarHBondContact O-N 3.33Å; I99-Q103 VanDerWaalsContact CG2-NE2 3.32Å; I99-Q103 VanDerWaalsContact O-CG 3.31Å; I99-Q103 WeakPolarHBondContact O-CG 3.37Å; I99-Q103 PolarHBondContact O-N 3.2Å; I99-L114 HydrophobicContact CD1-CD2 3.89Å; I99-L114 HydrophobicContact CG1-CD2 4.25Å; I99-L114 HydrophobicContact CG2-CD2 4.02Å; I99-L132 HydrophobicContact CD1-CB 4.34Å; I99-L132 HydrophobicContact CD1-CD1 4.14Å
100D86.2Confident78.7Confident76 Ų7672.9 Ų72.941%0.40639%0.385SS..Hα-helixtrans-65.1-40.6-179.1-58-28.8000111.6S96 L102 Q103 S104S96-D100 PolarHBondContact O-N 2.87Å; S96-D100 VanDerWaalsContact O-OD2 3.09Å; S96-D100 PolarHBondContact OG-OD2 3.19Å; D100-L102 PolarHBondContact O-N 3.37Å; D100-Q103 WeakPolarHBondContact O-CB 3.48Å; D100-Q103 PolarHBondContact O-N 3.3Å; D100-S104 PolarHBondContact O-N 3.11Å
101K84.8Confident77.5Confident134 Ų13469 Ų6958%0.58337%0.366SS*.Hα-helixtrans-61.7-44.7174.8-177.3-180178.6-175.70111.5Q97 R98 Q103 S104 I105Q97-K101 WeakPolarHBondContact O-CB 3.32Å; Q97-K101 PolarHBondContact O-N 3.48Å; R98-K101 PolarHBondContact O-N 2.96Å; K101-Q103 VanDerWaalsContact C-N 3.28Å; K101-Q103 PolarHBondContact O-N 2.86Å; K101-S104 PolarHBondContact O-N 3.43Å; K101-S104 PolarHBondContact O-OG 3.46Å; K101-I105 HydrophobicContact CG-CD1 3.94Å; K101-I105 WeakPolarHBondContact O-CG1 3.38Å; K101-I105 PolarHBondContact O-N 3.35Å; K101-I105 VanDerWaalsContact O-N 3.12Å
102L78.9Confident76.8Confident43 Ų4375.6 Ų75.623%0.22540%0.396CS..Hα-helixtrans-66.8-30178.9-71.1169.7000112.6L56 F57 R98 I99 D100 N106L56-L102 HydrophobicContact CB-CD1 3.74Å; L56-L102 HydrophobicContact CD1-CD1 4.24Å; L56-L102 HydrophobicContact CD2-CD1 4.21Å; L56-L102 HydrophobicContact CG-CD1 4.28Å; F57-L102 HydrophobicContact CD1-CD1 3.84Å; F57-L102 HydrophobicContact CE1-CD1 4.26Å; R98-L102 WeakPolarHBondContact O-CB 3.44Å; R98-L102 VanDerWaalsContact O-CG 3.25Å; R98-L102 WeakPolarHBondContact O-CG 3.32Å; R98-L102 PolarHBondContact O-N 3.42Å; I99-L102 PolarHBondContact O-N 3.33Å; D100-L102 PolarHBondContact O-N 3.37Å; L102-N106 PolarHBondContact O-ND2 3.16Å; L102-N106 VanDerWaalsContact O-ND2 3.14Å
103Q71.1Confident76.7Confident44 Ų4476.9 Ų76.921%0.20640%0.401CS..Hα-helixtrans-64.9-46.8169.9-68.3165.110.300111I99 D100 K101 I105I99-Q103 VanDerWaalsContact CG2-NE2 3.32Å; I99-Q103 VanDerWaalsContact O-CG 3.31Å; I99-Q103 WeakPolarHBondContact O-CG 3.37Å; I99-Q103 PolarHBondContact O-N 3.2Å; D100-Q103 WeakPolarHBondContact O-CB 3.48Å; D100-Q103 PolarHBondContact O-N 3.3Å; K101-Q103 VanDerWaalsContact C-N 3.28Å; K101-Q103 PolarHBondContact O-N 2.86Å; Q103-I105 PolarHBondContact O-N 3.44Å
104S70.5Confident76.6Confident87 Ų8772.7 Ų72.761%0.60838%0.379SS*.Hα-helixtrans-64.5-35.7-177.671.30000114.1D100 K101D100-S104 PolarHBondContact O-N 3.11Å; K101-S104 PolarHBondContact O-N 3.43Å; K101-S104 PolarHBondContact O-OG 3.46Å
105I65.1Low76.7Confident107 Ų10772 Ų7255%0.54937%0.373SS..Hα-helixtrans-73.1-36.1-176.1-69.6168.6000111.7K101 Q103K101-I105 HydrophobicContact CG-CD1 3.94Å; K101-I105 WeakPolarHBondContact O-CG1 3.38Å; K101-I105 PolarHBondContact O-N 3.35Å; K101-I105 VanDerWaalsContact O-N 3.12Å; Q103-I105 PolarHBondContact O-N 3.44Å
106N61Low76.8Confident76 Ų7672 Ų7241%0.40637%0.373SS..Hα-helixtrans-94.9-0.8-170.9-62.4-43.5000113.8L102 L108L102-N106 PolarHBondContact O-ND2 3.16Å; L102-N106 VanDerWaalsContact O-ND2 3.14Å; N106-L108 HydrophobicContact CB-CB 4.3Å; N106-L108 HydrophobicContact CB-CD1 3.37Å; N106-L108 HydrophobicContact CB-CG 4.42Å; N106-L108 WeakPolarHBondContact O-CD1 3.43Å; N106-L108 PolarHBondContact O-N 2.98Å
107S53.9Low77.1Confident119 Ų11970.6 Ų70.683%0.83236%0.362SS*.THydrogen-bonded Turntrans50.727.1-169-54.30000112.6
108L53Low77.4Confident103 Ų10364.7 Ų64.754%0.53934%0.335SS..  trans-89.2136.4176.6-96.996.7000108.3N106N106-L108 HydrophobicContact CB-CB 4.3Å; N106-L108 HydrophobicContact CB-CD1 3.37Å; N106-L108 HydrophobicContact CB-CG 4.42Å; N106-L108 WeakPolarHBondContact O-CD1 3.43Å; N106-L108 PolarHBondContact O-N 2.98Å
109D56.4Low77.7Confident151 Ų15161.4 Ų61.481%0.80732%0.323SS*.  trans-50.9154.8158.8-74.3-38.9000109.6P111D109-P111 VanDerWaalsContact O-N 3.09Å
110K60.8Low78.2Confident120 Ų12063.4 Ų63.452%0.52234%0.337SS..SBendtrans-39.2124.9174.7179.1176.5-178175.70108.6E112K110-E112 PolarHBondContact O-N 3.29Å
111P65Low78.6Confident16 Ų1659.9 Ų59.910%0.10432%0.319CS..  trans-48.3118.1-171.513.3-28.6000109.5S26 D109 K113 L114 N134S26-P111 WeakPolarHBondContact OG-CB 3.49Å; D109-P111 VanDerWaalsContact O-N 3.09Å; P111-K113 PolarHBondContact O-N 3.06Å; P111-L114 HydrophobicContact CB-CB 4.35Å; P111-L114 HydrophobicContact CG-CB 4Å; P111-L114 HydrophobicContact CG-CD1 4.24Å; P111-L114 HydrophobicContact CG-CD2 4.36Å; P111-L114 HydrophobicContact CG-CG 4.42Å; P111-N134 PolarHBondContact O-ND2 3.3Å
112E76.5Confident78.7Confident141 Ų14156.3 Ų56.366%0.65932%0.32SS*.THydrogen-bonded Turntrans-53.4-34-173.8-168.2-167159.300110.1S23 K110 N134S23-E112 WeakPolarHBondContact CB-OE2 3.43Å; K110-E112 PolarHBondContact O-N 3.29Å; E112-N134 PolarHBondContact O-ND2 3.13Å
113K87.9Confident79.2Confident54 Ų5456.6 Ų56.624%0.23532%0.318CS..EExtended strand (participates in β ladder)trans-129.986.1177.7-61.5-177.7-177.7168.80111.3S23 I25 S26 P111 H135S23-K113 VanDerWaalsContact OG-CD 3.24Å; S23-K113 WeakPolarHBondContact OG-CD 3.26Å; S23-K113 WeakPolarHBondContact OG-CE 3.27Å; S23-K113 PolarHBondContact OG-NZ 2.92Å; I25-K113 HydrophobicContact CG1-CB 4.27Å; I25-K113 HydrophobicContact CG1-CD 4.15Å; S26-K113 PolarHBondContact N-O 3.45Å; P111-K113 PolarHBondContact O-N 3.06Å; K113-H135 HydrophobicContact CB-CB 4.29Å
114L91.2Very high80.1Confident0 Ų058.4 Ų58.40%033%0.325CS..EExtended strand (participates in β ladder)trans-94.1117.2170.5-174.161000111.1S26 V28 L56 I99 P111 F133 N134 H135S26-L114 WeakPolarHBondContact O-CA 3.16Å; V28-L114 HydrophobicContact CG2-CD1 4.17Å; L56-L114 HydrophobicContact CD1-CD1 3.7Å; I99-L114 HydrophobicContact CD1-CD2 3.89Å; I99-L114 HydrophobicContact CG1-CD2 4.25Å; I99-L114 HydrophobicContact CG2-CD2 4.02Å; P111-L114 HydrophobicContact CB-CB 4.35Å; P111-L114 HydrophobicContact CG-CB 4Å; P111-L114 HydrophobicContact CG-CD1 4.24Å; P111-L114 HydrophobicContact CG-CD2 4.36Å; P111-L114 HydrophobicContact CG-CG 4.42Å; L114-F133 HydrophobicContact CD1-CD1 4.48Å; L114-F133 HydrophobicContact CD2-CD1 4.29Å; L114-F133 HydrophobicContact CG-CD1 3.81Å; L114-F133 HydrophobicContact CG-CE1 4.23Å; L114-F133 CarbonylContact O-C 3.15Å; L114-N134 WeakPolarHBondContact CA-OD1 2.98Å; L114-N134 VanDerWaalsContact CB-OD1 3.27Å; L114-N134 WeakPolarHBondContact CB-OD1 3.5Å; L114-N134 PolarHBondContact N-OD1 2.9Å; L114-N134 PolarHBondContact O-N 3.02Å; L114-N134 PolarHBondContact O-OD1 3.36Å; L114-H135 WeakPolarHBondContact O-CA 3.44Å; L114-H135 WeakPolarHBondContact O-CB 3.4Å; L114-H135 PolarHBondContact O-N 3Å
115L94.3Very high81.1Confident5 Ų554.7 Ų54.73%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-120.5133.7-174179.272000111.3I25 S26 V27 V28 V117 F133 H135 G136 F138 I221I25-L115 HydrophobicContact CG2-CB 4.08Å; I25-L115 HydrophobicContact CG2-CD2 4.19Å; S26-L115 PolarHBondContact O-N 3.05Å; V27-L115 WeakPolarHBondContact CA-O 3.35Å; V27-L115 HydrophobicContact CG2-CD2 4.36Å; V28-L115 PolarHBondContact N-O 3.49Å; L115-V117 HydrophobicContact CD2-CG2 3.91Å; L115-V117 HydrophobicContact CG-CG2 4.15Å; L115-F133 VanDerWaalsContact C-CD1 3.44Å; L115-H135 HydrophobicContact CB-CB 4.2Å; L115-G136 WeakPolarHBondContact CA-O 3.18Å; L115-G136 WeakPolarHBondContact CD1-O 3.46Å; L115-F138 HydrophobicContact CD1-CD1 3.98Å; L115-F138 HydrophobicContact CD1-CE1 4.16Å; L115-F138 HydrophobicContact CD2-CD1 4.47Å; L115-F138 HydrophobicContact CD2-CE1 3.82Å; L115-F138 HydrophobicContact CG-CE1 4.35Å; L115-I221 HydrophobicContact CD2-CB 4.46Å; L115-I221 HydrophobicContact CD2-CG1 3.76Å; L115-I221 HydrophobicContact CD2-CG2 4.34Å
116G95.7Very high82.2Confident0 Ų050.4 Ų50.40%028%0.277CS..EExtended strand (participates in β ladder)trans-96.3120.6169.500000110.9V28 G136 C137 F138V28-G116 WeakPolarHBondContact O-CA 3.34Å; G116-G136 PolarHBondContact N-O 3.28Å; G116-C137 VanDerWaalsContact O-CA 3.25Å; G116-C137 WeakPolarHBondContact O-CA 3.01Å; G116-F138 PolarHBondContact O-N 3.32Å
117V97.9Very high83.6Confident0 Ų049.5 Ų49.50%028%0.277CS..EExtended strand (participates in β ladder)trans-107.3112.8176.2177.90000108.7V27 V28 F29 F30 L115 V119 F138 M217 I221V27-V117 HydrophobicContact CG1-CB 4.13Å; V27-V117 HydrophobicContact CG1-CG2 3.71Å; V28-V117 PolarHBondContact O-N 2.87Å; F29-V117 HydrophobicContact CD2-CB 4.28Å; F29-V117 HydrophobicContact CD2-CG1 4.05Å; F29-V117 HydrophobicContact CE2-CG1 4.27Å; F30-V117 PolarHBondContact N-O 2.99Å; L115-V117 HydrophobicContact CD2-CG2 3.91Å; L115-V117 HydrophobicContact CG-CG2 4.15Å; V117-V119 HydrophobicContact CG1-CG2 4.17Å; V117-F138 HydrophobicContact CB-CZ 4.38Å; V117-F138 HydrophobicContact CG1-CE2 3.87Å; V117-F138 HydrophobicContact CG1-CZ 4.01Å; V117-F138 HydrophobicContact CG2-CE1 4.03Å; V117-F138 HydrophobicContact CG2-CE2 4.33Å; V117-F138 HydrophobicContact CG2-CZ 3.73Å; V117-M217 HydrophobicContact CG1-CG 4.3Å; V117-M217 HydrophobicContact CG1-SD 3.97Å; V117-I221 HydrophobicContact CG2-CD1 4.11Å; V117-I221 HydrophobicContact CG2-CG1 4.49Å
118I97.8Very high85.4Confident5 Ų546.5 Ų46.53%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-105.1128-177.2-60.476.3000109F30 F121 L125 C137 F138 N139 I140 L172F30-I118 HydrophobicContact CB-CB 4.4Å; F30-I118 HydrophobicContact CB-CG1 3.99Å; F30-I118 HydrophobicContact CB-CG2 4.44Å; F30-I118 HydrophobicContact CD2-CD1 4.27Å; F30-I118 HydrophobicContact CD2-CG1 4.13Å; F30-I118 HydrophobicContact CG-CG1 4.18Å; I118-F121 HydrophobicContact CG2-CB 3.94Å; I118-L125 HydrophobicContact CD1-CD2 3.95Å; I118-L125 HydrophobicContact CG1-CD1 4.36Å; I118-L125 HydrophobicContact CG1-CD2 3.86Å; I118-C137 HydrophobicContact CD1-CB 3.78Å; I118-F138 VanDerWaalsContact CD1-O 3.27Å; I118-F138 WeakPolarHBondContact CD1-O 3.49Å; I118-F138 PolarHBondContact N-O 3.09Å; I118-N139 HydrophobicContact CB-CB 4.08Å; I118-N139 HydrophobicContact CG2-CB 4.3Å; I118-N139 CarbonylContact O-C 3.59Å; I118-N139 VanDerWaalsContact O-CA 3.26Å; I118-N139 WeakPolarHBondContact O-CA 3.31Å; I118-N139 PolarHBondContact O-OD1 3.42Å; I118-I140 PolarHBondContact O-N 2.84Å; I118-L172 HydrophobicContact CD1-CD1 3.62Å; I118-L172 HydrophobicContact CG1-CD1 3.86Å
119V98Very high87.3Confident0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-142.5118.3175.7-168.70000109.1F29 F30 G31 Y35 S36 H39 V117 F121 I140F29-V119 HydrophobicContact CE2-CB 4.29Å; F29-V119 HydrophobicContact CE2-CG2 3.72Å; F29-V119 HydrophobicContact CZ-CB 4.11Å; F29-V119 HydrophobicContact CZ-CG2 4.06Å; F30-V119 PolarHBondContact O-N 3.03Å; G31-V119 VanDerWaalsContact CA-O 3.31Å; G31-V119 WeakPolarHBondContact CA-O 3.18Å; Y35-V119 HydrophobicContact CD1-CG1 4.02Å; Y35-V119 HydrophobicContact CE1-CG1 4.08Å; S36-V119 WeakPolarHBondContact CB-O 3.4Å; H39-V119 HydrophobicContact CB-CG2 4.31Å; V117-V119 HydrophobicContact CG1-CG2 4.17Å; V119-F121 PolarHBondContact O-N 3.05Å; V119-I140 HydrophobicContact CG1-CB 4.43Å; V119-I140 HydrophobicContact CG2-CB 4.16Å; V119-I140 HydrophobicContact CG2-CD1 3.56Å; V119-I140 HydrophobicContact CG2-CG1 3.83Å
120S95.9Very high88.9Confident50 Ų5035 Ų3535%0.3520%0.195SC..SBendtrans4342.8176.1-154.10000115D33D33-S120 WeakPolarHBondContact OD1-CB 3.24Å; D33-S120 VanDerWaalsContact OD2-CB 3.32Å; D33-S120 WeakPolarHBondContact OD2-CB 3.37Å; D33-S120 PolarHBondContact OD2-OG 3.18Å
121F94.7Very high90.3Very high3 Ų333.2 Ų33.21%0.01320%0.198CC..  trans-83.3-28.8-174.5-176.4-127.4000112.9F30 V59 T61 W81 I118 V119 R123 L125F30-F121 HydrophobicContact CB-CB 4.26Å; F30-F121 HydrophobicContact CB-CD1 4.05Å; F30-F121 HydrophobicContact CB-CD2 4.16Å; F30-F121 HydrophobicContact CB-CE1 4.46Å; F30-F121 HydrophobicContact CB-CG 3.91Å; F30-F121 HydrophobicContact CD1-CD1 4.22Å; F30-F121 AromaticContact CD1-CE1 3.87Å; F30-F121 HydrophobicContact CD1-CE1 3.87Å; F30-F121 HydrophobicContact CD1-CZ 4.12Å; V59-F121 HydrophobicContact CB-CZ 4.48Å; V59-F121 HydrophobicContact CG1-CE2 4.09Å; V59-F121 HydrophobicContact CG1-CZ 3.69Å; V59-F121 VanDerWaalsContact O-CE2 3.32Å; V59-F121 WeakPolarHBondContact O-CE2 3.36Å; T61-F121 HydrophobicContact CG2-CD2 4.3Å; T61-F121 HydrophobicContact CG2-CE2 3.92Å; T61-F121 HydrophobicContact CG2-CZ 4.42Å; W81-F121 HydrophobicContact CB-CZ 4.12Å; W81-F121 HydrophobicContact CD2-CE1 4.25Å; W81-F121 HydrophobicContact CD2-CZ 4.11Å; W81-F121 AromaticContact CE3-CE1 3.48Å; W81-F121 HydrophobicContact CE3-CE1 3.48Å; W81-F121 VanDerWaalsContact CE3-CE1 3.48Å; W81-F121 AromaticContact CE3-CZ 3.54Å; W81-F121 HydrophobicContact CE3-CZ 3.54Å; W81-F121 HydrophobicContact CG-CZ 4.41Å; W81-F121 AromaticContact CZ3-CE1 3.78Å; W81-F121 HydrophobicContact CZ3-CE1 3.78Å; W81-F121 HydrophobicContact CZ3-CZ 4.3Å; I118-F121 HydrophobicContact CG2-CB 3.94Å; V119-F121 PolarHBondContact O-N 3.05Å; F121-R123 VanDerWaalsContact C-N 3.31Å; F121-R123 HydrophobicContact CD1-CB 3.66Å; F121-R123 HydrophobicContact CD1-CG 4.02Å; F121-R123 HydrophobicContact CE1-CB 3.51Å; F121-R123 HydrophobicContact CE1-CG 3.67Å; F121-R123 HydrophobicContact CZ-CB 4.37Å; F121-R123 HydrophobicContact CZ-CG 4.04Å; F121-R123 PolarHBondContact O-N 2.68Å; F121-L125 HydrophobicContact CD1-CD1 3.99Å; F121-L125 HydrophobicContact CE1-CD1 4.22Å
122G88.1Confident91.5Very high59 Ų5934.3 Ų34.361%0.60820%0.203SC*.  trans73.115.1175.700000115.3
123R89.2Confident92.2Very high49 Ų4928 Ų2819%0.18517%0.173CC..SBendtrans-123.3150.6174.9-58.6-56-161.6129.948.1112.3T61 W81 P82 R83 F121T61-R123 HydrophobicContact CG2-CG 4.19Å; W81-R123 HydrophobicContact CD2-CG 4.25Å; W81-R123 HydrophobicContact CH2-CB 4.31Å; W81-R123 HydrophobicContact CZ2-CB 4.34Å; W81-R123 HydrophobicContact CZ3-CB 4.44Å; W81-R123 PolarHBondContact O-NH2 3.33Å; W81-R123 VanDerWaalsContact O-NH2 3.12Å; P82-R123 PolarHBondContact O-NH2 2.84Å; R83-R123 PolarHBondContact O-NH1 2.95Å; F121-R123 VanDerWaalsContact C-N 3.31Å; F121-R123 HydrophobicContact CD1-CB 3.66Å; F121-R123 HydrophobicContact CD1-CG 4.02Å; F121-R123 HydrophobicContact CE1-CB 3.51Å; F121-R123 HydrophobicContact CE1-CG 3.67Å; F121-R123 HydrophobicContact CZ-CB 4.37Å; F121-R123 HydrophobicContact CZ-CG 4.04Å; F121-R123 PolarHBondContact O-N 2.68Å
124F88.5Confident92.2Very high82 Ų8229 Ų2936%0.3618%0.181SC..PPolyproline II helixtrans-83.4124.2169-161.3-91000109.3W81 H176 F179W81-F124 WeakPolarHBondContact CH2-O 3.36Å; F124-H176 VanDerWaalsContact CZ-O 3.29Å; F124-H176 WeakPolarHBondContact CZ-O 3.31Å; F124-F179 HydrophobicContact CB-CE1 4.33Å; F124-F179 HydrophobicContact CB-CZ 3.85Å; F124-F179 HydrophobicContact CD2-CD1 4.46Å; F124-F179 HydrophobicContact CD2-CD2 4.42Å; F124-F179 HydrophobicContact CD2-CE1 4.14Å; F124-F179 HydrophobicContact CD2-CE2 4.09Å; F124-F179 AromaticContact CD2-CZ 3.95Å; F124-F179 HydrophobicContact CD2-CZ 3.95Å; F124-F179 HydrophobicContact CG-CZ 4.42Å
125L91.4Very high92.1Very high8 Ų831 Ų314%0.04219%0.19CC..PPolyproline II helixtrans-83.9120.4177.4-84.164.9000108.8F30 I118 F121 L129 L130 L172F30-L125 HydrophobicContact CD1-CD2 4.45Å; F30-L125 HydrophobicContact CE1-CD2 4.29Å; F30-L125 HydrophobicContact CZ-CD2 4.33Å; I118-L125 HydrophobicContact CD1-CD2 3.95Å; I118-L125 HydrophobicContact CG1-CD1 4.36Å; I118-L125 HydrophobicContact CG1-CD2 3.86Å; F121-L125 HydrophobicContact CD1-CD1 3.99Å; F121-L125 HydrophobicContact CE1-CD1 4.22Å; L125-L129 HydrophobicContact CB-CD2 4.45Å; L125-L129 HydrophobicContact CD2-CD2 4.42Å; L125-L129 HydrophobicContact CG-CD2 4.02Å; L125-L130 HydrophobicContact CB-CD2 3.82Å; L125-L130 HydrophobicContact CB-CG 4.13Å; L125-L130 HydrophobicContact CD2-CD2 3.91Å; L125-L172 HydrophobicContact CD2-CD1 4.14Å
126P90.2Very high92Very high17 Ų1731 Ų3111%0.1119%0.191CC..PPolyproline II helixtrans-67.3152.8179.229.2-36.1000111.2N88 I92 S128 L129 L130N88-P126 HydrophobicContact CB-CB 4.46Å; N88-P126 HydrophobicContact CB-CG 4.07Å; I92-P126 HydrophobicContact CD1-CB 4.46Å; I92-P126 HydrophobicContact CD1-CG 3.84Å; I92-P126 HydrophobicContact CG1-CG 3.99Å; P126-S128 PolarHBondContact O-N 3.11Å; P126-L129 HydrophobicContact CG-CB 3.77Å; P126-L129 WeakPolarHBondContact O-CA 3.42Å; P126-L129 WeakPolarHBondContact O-CB 3.07Å; P126-L129 PolarHBondContact O-N 2.99Å; P126-L130 PolarHBondContact O-N 3.2Å
127S90.3Very high91.9Very high57 Ų5731 Ų3140%0.39919%0.191SC..Hα-helixtrans-53.9-38.5-177.6-51.50000113.4L129 L130 S131 P174S127-L129 VanDerWaalsContact C-N 3.33Å; S127-L129 PolarHBondContact O-N 3.05Å; S127-L130 PolarHBondContact O-N 3.18Å; S127-S131 PolarHBondContact O-N 3.16Å; S127-S131 PolarHBondContact O-OG 2.94Å; S127-P174 PolarHBondContact OG-O 3.26Å
128S90.4Very high91.8Very high56 Ų5631.1 Ų31.139%0.39219%0.192SC..Hα-helixtrans-65.5-31.9176.3470000113.8I92 P126 S131I92-S128 WeakPolarHBondContact CD1-OG 3.46Å; P126-S128 PolarHBondContact O-N 3.11Å; S128-S131 WeakPolarHBondContact CA-OG 3.44Å; S128-S131 PolarHBondContact O-OG 2.93Å
129L92.2Very high91.7Very high0 Ų032 Ų320%020%0.196CC..Hα-helixtrans-73.5-43.6172.9-175.959.8000110.6F30 W81 I92 V95 L125 P126 S127 S131 L132 F133F30-L129 HydrophobicContact CE1-CD2 4.22Å; F30-L129 HydrophobicContact CZ-CD2 4.5Å; W81-L129 HydrophobicContact CH2-CD2 4.33Å; W81-L129 HydrophobicContact CZ3-CD2 3.86Å; I92-L129 HydrophobicContact CG1-CB 4.15Å; V95-L129 HydrophobicContact CB-CD1 3.88Å; V95-L129 HydrophobicContact CG1-CD1 3.69Å; V95-L129 HydrophobicContact CG2-CD1 4.2Å; L125-L129 HydrophobicContact CB-CD2 4.45Å; L125-L129 HydrophobicContact CD2-CD2 4.42Å; L125-L129 HydrophobicContact CG-CD2 4.02Å; P126-L129 HydrophobicContact CG-CB 3.77Å; P126-L129 WeakPolarHBondContact O-CA 3.42Å; P126-L129 WeakPolarHBondContact O-CB 3.07Å; P126-L129 PolarHBondContact O-N 2.99Å; S127-L129 VanDerWaalsContact C-N 3.33Å; S127-L129 PolarHBondContact O-N 3.05Å; L129-S131 PolarHBondContact O-N 3.47Å; L129-L132 HydrophobicContact CD1-CD1 3.95Å; L129-L132 WeakPolarHBondContact O-CB 3.41Å; L129-L132 PolarHBondContact O-N 3.48Å; L129-L132 VanDerWaalsContact O-N 3.12Å; L129-F133 HydrophobicContact CD1-CE2 4.38Å; L129-F133 HydrophobicContact CG-CE2 4.37Å; L129-F133 VanDerWaalsContact O-CD2 3.28Å; L129-F133 WeakPolarHBondContact O-CD2 3.42Å; L129-F133 WeakPolarHBondContact O-CE2 3.43Å
130L91.9Very high91.7Very high14 Ų1432.1 Ų32.17%0.07320%0.197CC..Hα-helixtrans-59.4-36.2178-65.2174.1000111.9L125 P126 S127 L132 F133 C137 L172 P174L125-L130 HydrophobicContact CB-CD2 3.82Å; L125-L130 HydrophobicContact CB-CG 4.13Å; L125-L130 HydrophobicContact CD2-CD2 3.91Å; P126-L130 PolarHBondContact O-N 3.2Å; S127-L130 PolarHBondContact O-N 3.18Å; L130-L132 PolarHBondContact O-N 3.46Å; L130-F133 PolarHBondContact O-N 3Å; L130-C137 HydrophobicContact CD2-CB 3.77Å; L130-L172 HydrophobicContact CD1-CB 4.31Å; L130-L172 HydrophobicContact CD2-CB 3.78Å; L130-L172 HydrophobicContact CD2-CD1 4.01Å; L130-P174 HydrophobicContact CB-CG 4.33Å
131S89.7Confident91.8Very high82 Ų8230.2 Ų30.257%0.57318%0.183SC*.THydrogen-bonded Turntrans-67.6-14.6178.253.50000115S127 S128 L129 F133S127-S131 PolarHBondContact O-N 3.16Å; S127-S131 PolarHBondContact O-OG 2.94Å; S128-S131 WeakPolarHBondContact CA-OG 3.44Å; S128-S131 PolarHBondContact O-OG 2.93Å; L129-S131 PolarHBondContact O-N 3.47Å; S131-F133 VanDerWaalsContact C-N 3.26Å; S131-F133 PolarHBondContact O-N 2.56Å
132L89.8Confident91.9Very high39 Ų3930.7 Ų30.720%0.20419%0.186CC..THydrogen-bonded Turntrans-68.6-29.5174.7-60.7-175.5000111.8V95 I99 L129 L130 N134V95-L132 HydrophobicContact CG1-CD1 4.29Å; I99-L132 HydrophobicContact CD1-CB 4.34Å; I99-L132 HydrophobicContact CD1-CD1 4.14Å; L129-L132 HydrophobicContact CD1-CD1 3.95Å; L129-L132 WeakPolarHBondContact O-CB 3.41Å; L129-L132 PolarHBondContact O-N 3.48Å; L129-L132 VanDerWaalsContact O-N 3.12Å; L130-L132 PolarHBondContact O-N 3.46Å; L132-N134 PolarHBondContact O-N 3.43Å
133F91Very high92.4Very high8 Ų827.9 Ų27.94%0.03516%0.157CC..  trans-89.196.1-174.6-59.9-86000110.8V28 F30 L114 L115 L129 L130 S131 H135 G136 C137V28-F133 HydrophobicContact CB-CE1 3.74Å; V28-F133 HydrophobicContact CB-CZ 4.11Å; V28-F133 HydrophobicContact CG1-CZ 4.47Å; V28-F133 HydrophobicContact CG2-CE1 3.82Å; V28-F133 HydrophobicContact CG2-CZ 4.33Å; F30-F133 HydrophobicContact CE2-CE1 4.32Å; F30-F133 HydrophobicContact CE2-CE2 4.3Å; F30-F133 AromaticContact CE2-CZ 3.67Å; F30-F133 HydrophobicContact CE2-CZ 3.67Å; F30-F133 HydrophobicContact CZ-CE2 4.14Å; F30-F133 AromaticContact CZ-CZ 3.71Å; F30-F133 HydrophobicContact CZ-CZ 3.71Å; L114-F133 HydrophobicContact CD1-CD1 4.48Å; L114-F133 HydrophobicContact CD2-CD1 4.29Å; L114-F133 HydrophobicContact CG-CD1 3.81Å; L114-F133 HydrophobicContact CG-CE1 4.23Å; L114-F133 CarbonylContact O-C 3.15Å; L115-F133 VanDerWaalsContact C-CD1 3.44Å; L129-F133 HydrophobicContact CD1-CE2 4.38Å; L129-F133 HydrophobicContact CG-CE2 4.37Å; L129-F133 VanDerWaalsContact O-CD2 3.28Å; L129-F133 WeakPolarHBondContact O-CD2 3.42Å; L129-F133 WeakPolarHBondContact O-CE2 3.43Å; L130-F133 PolarHBondContact O-N 3Å; S131-F133 VanDerWaalsContact C-N 3.26Å; S131-F133 PolarHBondContact O-N 2.56Å; F133-H135 VanDerWaalsContact C-N 3.28Å; F133-H135 PolarHBondContact O-N 2.8Å; F133-G136 VanDerWaalsContact CB-O 3.3Å; F133-G136 WeakPolarHBondContact CB-O 3.44Å; F133-G136 WeakPolarHBondContact O-CA 3.47Å; F133-G136 PolarHBondContact O-N 3.46Å; F133-C137 WeakPolarHBondContact CD2-SG 3.42Å; F133-C137 WeakPolarHBondContact CG-SG 3.46Å
134N88Confident92.7Very high75 Ų7526.4 Ų26.440%0.40115%0.153SC..THydrogen-bonded Turntrans-65-29.5178.659.6-5.5000113P111 E112 L114 L132P111-N134 PolarHBondContact O-ND2 3.3Å; E112-N134 PolarHBondContact O-ND2 3.13Å; L114-N134 WeakPolarHBondContact CA-OD1 2.98Å; L114-N134 VanDerWaalsContact CB-OD1 3.27Å; L114-N134 WeakPolarHBondContact CB-OD1 3.5Å; L114-N134 PolarHBondContact N-OD1 2.9Å; L114-N134 PolarHBondContact O-N 3.02Å; L114-N134 PolarHBondContact O-OD1 3.36Å; L132-N134 PolarHBondContact O-N 3.43Å
135H89.6Confident93.1Very high41 Ų4122.5 Ų22.519%0.1914%0.136CC..THydrogen-bonded Turntrans-85.1-2.7169.2-148.157.6000112.2K113 L114 L115 F133 R171K113-H135 HydrophobicContact CB-CB 4.29Å; L114-H135 WeakPolarHBondContact O-CA 3.44Å; L114-H135 WeakPolarHBondContact O-CB 3.4Å; L114-H135 PolarHBondContact O-N 3Å; L115-H135 HydrophobicContact CB-CB 4.2Å; F133-H135 VanDerWaalsContact C-N 3.28Å; F133-H135 PolarHBondContact O-N 2.8Å; H135-R171 PolarHBondContact O-NH1 2.97Å
136G91.3Very high93.3Very high5 Ų522.1 Ų22.15%0.05213%0.134CC..EExtended strand (participates in β ladder)trans81.4-165.3175.200000115.3L115 G116 F133 R171L115-G136 WeakPolarHBondContact CA-O 3.18Å; L115-G136 WeakPolarHBondContact CD1-O 3.46Å; G116-G136 PolarHBondContact N-O 3.28Å; F133-G136 VanDerWaalsContact CB-O 3.3Å; F133-G136 WeakPolarHBondContact CB-O 3.44Å; F133-G136 WeakPolarHBondContact O-CA 3.47Å; F133-G136 PolarHBondContact O-N 3.46Å; G136-R171 VanDerWaalsContact CA-NH2 3.34Å
137C93.8Very high93.6Very high1 Ų123.8 Ų23.81%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-130.3141.1-179.4-69.90000110G116 I118 L130 F133 L172G116-C137 VanDerWaalsContact O-CA 3.25Å; G116-C137 WeakPolarHBondContact O-CA 3.01Å; I118-C137 HydrophobicContact CD1-CB 3.78Å; L130-C137 HydrophobicContact CD2-CB 3.77Å; F133-C137 WeakPolarHBondContact CD2-SG 3.42Å; F133-C137 WeakPolarHBondContact CG-SG 3.46Å; C137-L172 HydrophobicContact CB-CB 4.03Å; C137-L172 HydrophobicContact CB-CD1 4.1Å; C137-L172 HydrophobicContact CB-CG 4.31Å; C137-L172 PolarHBondContact O-N 3.01Å
138F95.6Very high93.9Very high2 Ų222 Ų221%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-130.3153.6166.970.2-107.6000111.5L115 G116 V117 I118 I140 L169 F170 L185 M217 V220 I221L115-F138 HydrophobicContact CD1-CD1 3.98Å; L115-F138 HydrophobicContact CD1-CE1 4.16Å; L115-F138 HydrophobicContact CD2-CD1 4.47Å; L115-F138 HydrophobicContact CD2-CE1 3.82Å; L115-F138 HydrophobicContact CG-CE1 4.35Å; G116-F138 PolarHBondContact O-N 3.32Å; V117-F138 HydrophobicContact CB-CZ 4.38Å; V117-F138 HydrophobicContact CG1-CE2 3.87Å; V117-F138 HydrophobicContact CG1-CZ 4.01Å; V117-F138 HydrophobicContact CG2-CE1 4.03Å; V117-F138 HydrophobicContact CG2-CE2 4.33Å; V117-F138 HydrophobicContact CG2-CZ 3.73Å; I118-F138 VanDerWaalsContact CD1-O 3.27Å; I118-F138 WeakPolarHBondContact CD1-O 3.49Å; I118-F138 PolarHBondContact N-O 3.09Å; F138-I140 HydrophobicContact CD2-CG1 4.14Å; F138-I140 HydrophobicContact CE2-CD1 4.12Å; F138-I140 HydrophobicContact CE2-CG1 3.79Å; F138-L169 HydrophobicContact CD2-CB 4.48Å; F138-L169 HydrophobicContact CD2-CD2 3.86Å; F138-L169 HydrophobicContact CD2-CG 4.25Å; F138-L169 HydrophobicContact CE2-CD2 3.55Å; F138-L169 HydrophobicContact CE2-CG 4.32Å; F138-L169 HydrophobicContact CZ-CD2 4.12Å; F138-F170 CarbonylContact C-O 3.49Å; F138-F170 WeakPolarHBondContact CA-O 3.41Å; F138-F170 WeakPolarHBondContact CB-O 3.34Å; F138-L185 HydrophobicContact CB-CD1 3.73Å; F138-L185 HydrophobicContact CG-CD1 4.41Å; F138-M217 HydrophobicContact CE2-CG 4.43Å; F138-M217 HydrophobicContact CZ-CG 4.21Å; F138-V220 HydrophobicContact CD1-CG1 3.65Å; F138-V220 HydrophobicContact CE1-CB 4.24Å; F138-V220 HydrophobicContact CE1-CG1 3.57Å; F138-V220 HydrophobicContact CG-CG1 4.28Å; F138-V220 HydrophobicContact CZ-CB 4.43Å; F138-V220 HydrophobicContact CZ-CG1 4.19Å; F138-I221 HydrophobicContact CE1-CG1 3.94Å; F138-I221 HydrophobicContact CZ-CD1 4.3Å; F138-I221 HydrophobicContact CZ-CG1 3.86Å
139N96.9Very high94.1Very high23 Ų2320.6 Ų20.612%0.12311%0.109CC..EExtended strand (participates in β ladder)trans-112.1144.6173.1-170.5-0.2000110.3I118 L169 F170 L172I118-N139 HydrophobicContact CB-CB 4.08Å; I118-N139 HydrophobicContact CG2-CB 4.3Å; I118-N139 CarbonylContact O-C 3.59Å; I118-N139 VanDerWaalsContact O-CA 3.26Å; I118-N139 WeakPolarHBondContact O-CA 3.31Å; I118-N139 PolarHBondContact O-OD1 3.42Å; N139-L169 VanDerWaalsContact O-CA 3.3Å; N139-L169 WeakPolarHBondContact O-CA 3.28Å; N139-F170 HydrophobicContact CB-CD1 4.42Å; N139-F170 HydrophobicContact CB-CD2 4.4Å; N139-F170 HydrophobicContact CB-CE1 3.86Å; N139-F170 HydrophobicContact CB-CE2 3.88Å; N139-F170 HydrophobicContact CB-CZ 3.57Å; N139-F170 PolarHBondContact N-O 3Å; N139-F170 PolarHBondContact O-N 3.5Å; N139-L172 HydrophobicContact CB-CD2 4.18Å
140I98Very high94.2Very high3 Ų321.9 Ų21.92%0.01512%0.122CC..EExtended strand (participates in β ladder)trans-102.3119174.6-46.7-175.3000109.1I118 V119 F138 I167 L169 S213 M217I118-I140 PolarHBondContact O-N 2.84Å; V119-I140 HydrophobicContact CG1-CB 4.43Å; V119-I140 HydrophobicContact CG2-CB 4.16Å; V119-I140 HydrophobicContact CG2-CD1 3.56Å; V119-I140 HydrophobicContact CG2-CG1 3.83Å; F138-I140 HydrophobicContact CD2-CG1 4.14Å; F138-I140 HydrophobicContact CE2-CD1 4.12Å; F138-I140 HydrophobicContact CE2-CG1 3.79Å; I140-I167 HydrophobicContact CG2-CG2 3.85Å; I140-L169 HydrophobicContact CB-CG 4.41Å; I140-L169 HydrophobicContact CD1-CD2 4.49Å; I140-L169 HydrophobicContact CG1-CD1 4.47Å; I140-L169 HydrophobicContact CG1-CD2 4.15Å; I140-L169 HydrophobicContact CG1-CG 3.98Å; I140-L169 HydrophobicContact CG2-CD1 3.95Å; I140-L169 HydrophobicContact CG2-CG 4.32Å; I140-S213 VanDerWaalsContact CG2-OG 3.3Å; I140-S213 WeakPolarHBondContact CG2-OG 3.36Å; I140-M217 HydrophobicContact CD1-CB 3.67Å; I140-M217 HydrophobicContact CD1-CG 3.73Å; I140-M217 HydrophobicContact CD1-SD 3.93Å
141H97.5Very high94.2Very high11 Ų1125.3 Ų25.35%0.05115%0.148CC..EExtended strand (participates in β ladder)trans-122.9127-175-168.971.9000111.9S143 L145 W148 G150 T168 F170 D180H141-S143 PolarHBondContact CD2-OG 2.73Å; H141-S143 PolarHBondContact NE2-OG 2.91Å; H141-S143 PolarHBondContact O-N 3.19Å; H141-L145 HydrophobicContact CB-CD1 4.36Å; H141-L145 VanDerWaalsContact CD2-CD2 3.49Å; H141-L145 WeakPolarHBondContact CD2-CD2 3.42Å; H141-W148 PolarHBondContact NE2-O 3.18Å; H141-G150 PolarHBondContact CE1-O 3.22Å; H141-T168 PolarHBondContact N-O 3.34Å; H141-T168 PolarHBondContact O-N 2.71Å; H141-F170 HydrophobicContact CB-CD1 4.34Å; H141-F170 HydrophobicContact CB-CE1 3.88Å; H141-D180 IonicContact CE1-OD2 2.69Å
142P97.6Very high94.5Very high12 Ų1223.4 Ų23.48%0.07813%0.131CC..SBendtrans-8656.9-17533.8-33.7000113Y35 P153 L154 G166 I167 L209Y35-P142 HydrophobicContact CE1-CG 4.31Å; Y35-P142 HydrophobicContact CE2-CB 4.48Å; Y35-P142 WeakPolarHBondContact OH-CB 3.37Å; P142-P153 HydrophobicContact CG-CG 3.74Å; P142-L154 HydrophobicContact CB-CD2 3.77Å; P142-L154 HydrophobicContact CB-CG 4.42Å; P142-L154 HydrophobicContact CG-CD2 4.09Å; P142-L154 HydrophobicContact CG-CG 4.22Å; P142-G166 CarbonylContact C-O 3.49Å; P142-I167 HydrophobicContact CB-CD1 4Å; P142-L209 HydrophobicContact CB-CD1 4.42Å
143S97.3Very high94.9Very high0 Ų021.9 Ų21.90%012%0.124CC..SBendtrans-152.2176.5165.176.50000110.6H141 L145 R147 G166 T168H141-S143 PolarHBondContact CD2-OG 2.73Å; H141-S143 PolarHBondContact NE2-OG 2.91Å; H141-S143 PolarHBondContact O-N 3.19Å; S143-L145 PolarHBondContact O-N 3.01Å; S143-R147 WeakPolarHBondContact CB-O 3.32Å; S143-R147 PolarHBondContact OG-O 3.45Å; S143-G166 CarbonylContact C-O 3.54Å; S143-G166 VanDerWaalsContact CA-O 3.32Å; S143-G166 WeakPolarHBondContact CA-O 3.5Å; S143-G166 PolarHBondContact N-O 3.33Å; S143-T168 WeakPolarHBondContact O-CB 3.46Å; S143-T168 PolarHBondContact O-N 3Å; S143-T168 PolarHBondContact O-OG1 3.02Å
144L96.2Very high95.2Very high18 Ų1822.4 Ų22.49%0.09413%0.127CC..  trans-90.885.4168.5-64.9175.9000110.3R147 V164 T165 Q187 L243L144-R147 WeakPolarHBondContact O-CA 3.16Å; L144-R147 WeakPolarHBondContact O-CB 3.47Å; L144-R147 PolarHBondContact O-N 2.82Å; L144-V164 HydrophobicContact CD1-CG1 4.1Å; L144-T165 WeakPolarHBondContact CD1-O 3.42Å; L144-Q187 VanDerWaalsContact C-NE2 3.3Å; L144-Q187 VanDerWaalsContact CA-NE2 3.28Å; L144-Q187 HydrophobicContact CD2-CG 3.35Å; L144-L243 HydrophobicContact CB-CD1 4.3Å
145L96.6Very high95.6Very high0 Ų019 Ų190%011%0.109CC..THydrogen-bonded Turntrans-56141.5177.3-66.1179.2000111.3H141 S143 K149 T168 F170 D180 Q187H141-L145 HydrophobicContact CB-CD1 4.36Å; H141-L145 VanDerWaalsContact CD2-CD2 3.49Å; H141-L145 WeakPolarHBondContact CD2-CD2 3.42Å; S143-L145 PolarHBondContact O-N 3.01Å; L145-K149 HydrophobicContact CD2-CG 3.78Å; L145-T168 HydrophobicContact CB-CG2 4.05Å; L145-T168 HydrophobicContact CD1-CG2 3.96Å; L145-T168 HydrophobicContact CG-CG2 4.14Å; L145-T168 PolarHBondContact N-OG1 3.08Å; L145-T168 VanDerWaalsContact N-OG1 3.13Å; L145-F170 HydrophobicContact CD1-CD1 3.45Å; L145-F170 VanDerWaalsContact CD1-CD1 3.45Å; L145-F170 HydrophobicContact CD1-CE1 3.68Å; L145-F170 HydrophobicContact CD1-CG 4.26Å; L145-D180 HydrophobicContact CD1-CB 4.24Å; L145-D180 HydrophobicContact CD2-CB 4.21Å; L145-Q187 VanDerWaalsContact N-NE2 3.18Å; L145-Q187 PolarHBondContact O-NE2 3.46Å
146P95.5Very high95.9Very high1 Ų118.9 Ų18.91%0.00611%0.107CC..THydrogen-bonded Turncis-85.313.210.933.9-35.5000116Q234 I245 S246P146-Q234 HydrophobicContact CB-CB 4.19Å; P146-Q234 HydrophobicContact CG-CB 4.49Å; P146-I245 HydrophobicContact CB-CB 4.4Å; P146-I245 HydrophobicContact CB-CG1 3.92Å; P146-I245 HydrophobicContact CB-CG2 4.42Å; P146-I245 HydrophobicContact CG-CG1 3.8Å; P146-S246 PolarHBondContact O-N 2.82Å
147R95.8Very high96.1Very high51 Ų5118.6 Ų18.619%0.19210%0.104CC..THydrogen-bonded Turntrans-74.8136.3173.6-162.7-179.5174.671.4-3110.8S143 L144 D162 P244 S246S143-R147 WeakPolarHBondContact CB-O 3.32Å; S143-R147 PolarHBondContact OG-O 3.45Å; L144-R147 WeakPolarHBondContact O-CA 3.16Å; L144-R147 WeakPolarHBondContact O-CB 3.47Å; L144-R147 PolarHBondContact O-N 2.82Å; R147-D162 IonicContact CZ-OD1 3.96Å; R147-D162 IonicContact CZ-OD2 2.8Å; R147-D162 IonicContact NE-OD1 2.83Å; R147-D162 IonicContact NE-OD2 3.15Å; R147-D162 PolarHBondContact NE-OD2 3.29Å; R147-D162 IonicContact NH2-OD1 2.83Å; R147-D162 PolarHBondContact NH2-OD1 3.17Å; R147-D162 IonicContact NH2-OD2 2.73Å; R147-D162 PolarHBondContact NH2-OD2 3.07Å; R147-P244 WeakPolarHBondContact CA-O 3.26Å; R147-S246 WeakPolarHBondContact CA-OG 3.38Å; R147-S246 VanDerWaalsContact CG-OG 3.27Å; R147-S246 WeakPolarHBondContact CG-OG 3.27Å
148W96.6Very high96.2Very high20 Ų2019.1 Ų19.18%0.07611%0.107CC..THydrogen-bonded Turntrans59.249.2177-54.7134.7000116H141 P153 Y156 T160 D162 S246 A248H141-W148 PolarHBondContact NE2-O 3.18Å; W148-P153 HydrophobicContact CB-CB 3.91Å; W148-Y156 VanDerWaalsContact CE3-CB 3.46Å; W148-Y156 AromaticContact CE3-CD1 3.91Å; W148-Y156 HydrophobicContact CE3-CD1 3.91Å; W148-Y156 AromaticContact CE3-CG 3.88Å; W148-Y156 HydrophobicContact CE3-CG 3.88Å; W148-Y156 AromaticContact CH2-CD1 3.89Å; W148-Y156 HydrophobicContact CH2-CD1 3.89Å; W148-Y156 HydrophobicContact CH2-CG 4.43Å; W148-Y156 AromaticContact CZ3-CD1 3.39Å; W148-Y156 HydrophobicContact CZ3-CD1 3.39Å; W148-Y156 HydrophobicContact CZ3-CE1 4.3Å; W148-Y156 AromaticContact CZ3-CG 3.84Å; W148-Y156 HydrophobicContact CZ3-CG 3.84Å; W148-T160 HydrophobicContact CH2-CG2 3.45Å; W148-T160 VanDerWaalsContact CH2-CG2 3.45Å; W148-T160 HydrophobicContact CZ2-CG2 3.42Å; W148-T160 VanDerWaalsContact CZ2-CG2 3.42Å; W148-T160 VanDerWaalsContact CZ2-OG1 3.28Å; W148-T160 WeakPolarHBondContact CZ2-OG1 3.49Å; W148-D162 PolarHBondContact NE1-OD2 3.22Å; W148-S246 PolarHBondContact N-O 2.92Å; W148-S246 PolarHBondContact N-OG 3.49Å; W148-A248 HydrophobicContact CB-CB 4.06Å; W148-A248 HydrophobicContact CE3-CB 4.16Å
149K95.7Very high96.1Very high26 Ų2619.5 Ų19.511%0.11311%0.109CC..BIsolated β-bridgetrans-62.7138.5166.7-65.8-174.1180-151.80111.3L145 D180 S246 Y247 A248L145-K149 HydrophobicContact CD2-CG 3.78Å; K149-D180 HydrophobicContact CB-CB 4.2Å; K149-D180 WeakPolarHBondContact CE-O 3.49Å; K149-D180 HydrophobicContact CG-CB 4.11Å; K149-D180 PolarHBondContact NZ-O 2.92Å; K149-S246 PolarHBondContact N-O 3.36Å; K149-Y247 HydrophobicContact CB-CD1 3.92Å; K149-Y247 HydrophobicContact CB-CE1 4.25Å; K149-Y247 HydrophobicContact CD-CE1 4.24Å; K149-Y247 CarbonylContact O-C 3.47Å; K149-Y247 VanDerWaalsContact O-CA 3.26Å; K149-Y247 WeakPolarHBondContact O-CA 3.3Å; K149-A248 PolarHBondContact O-N 3.27Å
150G93.8Very high96Very high27 Ų2721.4 Ų21.428%0.27812%0.121SC..SBendtrans114.9-162.2175.200000113.7H141 P153 D180H141-G150 PolarHBondContact CE1-O 3.22Å; G150-P153 WeakPolarHBondContact O-CD 3.26Å; G150-D180 WeakPolarHBondContact CA-OD2 3.29Å; G150-D180 PolarHBondContact N-OD2 3.44Å
151S92.4Very high95.6Very high87 Ų8724 Ų2461%0.60814%0.135SC*.SBendtrans-87.7-13.4-161.549.70000115.7A248S151-A248 PolarHBondContact N-O 3.22Å; S151-A248 VanDerWaalsContact N-O 3.13Å
152N96Very high95.4Very high41 Ų4124.4 Ų24.422%0.21914%0.138CC..  trans-127.642.2-172.9-68.6-95.5000114.3L154 L155 Y156 A248 R249N152-L154 VanDerWaalsContact C-N 3.31Å; N152-L154 PolarHBondContact O-N 2.9Å; N152-L155 HydrophobicContact CB-CB 4.28Å; N152-L155 PolarHBondContact O-N 3.13Å; N152-Y156 HydrophobicContact CB-CD2 4.3Å; N152-Y156 HydrophobicContact CB-CE2 4.44Å; N152-Y156 WeakPolarHBondContact O-CD2 3.3Å; N152-Y156 PolarHBondContact O-N 3.22Å; N152-A248 VanDerWaalsContact C-CB 3.48Å; N152-A248 PolarHBondContact N-O 2.86Å; N152-A248 VanDerWaalsContact N-O 3.15Å; N152-R249 PolarHBondContact ND2-O 3.16Å
153P97.1Very high95.1Very high8 Ų829.2 Ų29.25%0.05216%0.157CC..Hα-helixtrans-58-38.8-172.823.9-36.1000113.9P142 W148 G150 Y156 T157 A248P142-P153 HydrophobicContact CG-CG 3.74Å; W148-P153 HydrophobicContact CB-CB 3.91Å; G150-P153 WeakPolarHBondContact O-CD 3.26Å; P153-Y156 PolarHBondContact O-N 2.62Å; P153-T157 WeakPolarHBondContact O-CB 3.23Å; P153-T157 PolarHBondContact O-N 3.46Å; P153-T157 PolarHBondContact O-OG1 3.22Å; P153-A248 HydrophobicContact CB-CB 4.48Å
154L97Very high94.9Very high19 Ų1932 Ų3210%0.09917%0.174CC..Hα-helixtrans-64.6-42.1179.9-59.5-175.3000112.2P142 N152 T157 L158 P202 L205 A206 L209P142-L154 HydrophobicContact CB-CD2 3.77Å; P142-L154 HydrophobicContact CB-CG 4.42Å; P142-L154 HydrophobicContact CG-CD2 4.09Å; P142-L154 HydrophobicContact CG-CG 4.22Å; N152-L154 VanDerWaalsContact C-N 3.31Å; N152-L154 PolarHBondContact O-N 2.9Å; L154-T157 WeakPolarHBondContact O-CB 3.43Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 2.66Å; L154-P202 HydrophobicContact CB-CB 4.22Å; L154-P202 WeakPolarHBondContact CD1-O 3.37Å; L154-L205 HydrophobicContact CB-CD2 4.19Å; L154-L205 HydrophobicContact CD2-CD2 3.9Å; L154-L205 HydrophobicContact CD2-CG 3.99Å; L154-A206 HydrophobicContact CD1-CB 3.61Å; L154-L209 HydrophobicContact CD2-CD1 3.73Å
155L96.9Very high94.8Very high4 Ų431.2 Ų31.22%0.02117%0.171CC..Hα-helixtrans-62.3-46.8176.6174.6155.5000110.8N152 L158 L159 P202 P251 F275 T278N152-L155 HydrophobicContact CB-CB 4.28Å; N152-L155 PolarHBondContact O-N 3.13Å; L155-L158 PolarHBondContact O-N 3.34Å; L155-L159 HydrophobicContact CD2-CD1 3.38Å; L155-L159 HydrophobicContact CD2-CG 3.88Å; L155-L159 HydrophobicContact CG-CD1 4.38Å; L155-L159 HydrophobicContact CG-CG 4.45Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 2.95Å; L155-P202 HydrophobicContact CB-CG 4.25Å; L155-P251 HydrophobicContact CD1-CB 4.17Å; L155-P251 HydrophobicContact CD1-CG 4.2Å; L155-F275 HydrophobicContact CD1-CD1 4.01Å; L155-F275 HydrophobicContact CD1-CE1 4.36Å; L155-F275 HydrophobicContact CD2-CE1 4.36Å; L155-T278 HydrophobicContact CD1-CG2 3.64Å
156Y97.1Very high94.8Very high37 Ų3731.2 Ų31.215%0.14517%0.171CC..Hα-helixtrans-69.4-36.9-179-84.1-97.8000112.8W148 N152 P153 L158 L159 T160 A248 R249 M255W148-Y156 VanDerWaalsContact CE3-CB 3.46Å; W148-Y156 AromaticContact CE3-CD1 3.91Å; W148-Y156 HydrophobicContact CE3-CD1 3.91Å; W148-Y156 AromaticContact CE3-CG 3.88Å; W148-Y156 HydrophobicContact CE3-CG 3.88Å; W148-Y156 AromaticContact CH2-CD1 3.89Å; W148-Y156 HydrophobicContact CH2-CD1 3.89Å; W148-Y156 HydrophobicContact CH2-CG 4.43Å; W148-Y156 AromaticContact CZ3-CD1 3.39Å; W148-Y156 HydrophobicContact CZ3-CD1 3.39Å; W148-Y156 HydrophobicContact CZ3-CE1 4.3Å; W148-Y156 AromaticContact CZ3-CG 3.84Å; W148-Y156 HydrophobicContact CZ3-CG 3.84Å; N152-Y156 HydrophobicContact CB-CD2 4.3Å; N152-Y156 HydrophobicContact CB-CE2 4.44Å; N152-Y156 WeakPolarHBondContact O-CD2 3.3Å; N152-Y156 PolarHBondContact O-N 3.22Å; P153-Y156 PolarHBondContact O-N 2.62Å; Y156-L158 PolarHBondContact O-N 2.97Å; Y156-L159 PolarHBondContact O-N 3.22Å; Y156-T160 PolarHBondContact O-N 3.24Å; Y156-T160 PolarHBondContact O-OG1 3.22Å; Y156-A248 VanDerWaalsContact CD2-CA 3.45Å; Y156-A248 HydrophobicContact CD2-CB 3.56Å; Y156-A248 HydrophobicContact CE2-CB 4.21Å; Y156-A248 HydrophobicContact CG-CB 3.89Å; Y156-R249 VanDerWaalsContact CE2-O 3.28Å; Y156-R249 WeakPolarHBondContact CE2-O 3.46Å; Y156-M255 HydrophobicContact CE1-CE 4.48Å
157T95.8Very high94.9Very high0 Ų031.2 Ų31.20%017%0.17CC..Hα-helixtrans-51.1-43.2170.6-60.50000110.6P153 L154 N161 D162 T165 L192 L205P153-T157 WeakPolarHBondContact O-CB 3.23Å; P153-T157 PolarHBondContact O-N 3.46Å; P153-T157 PolarHBondContact O-OG1 3.22Å; L154-T157 WeakPolarHBondContact O-CB 3.43Å; T157-N161 PolarHBondContact O-N 3.02Å; T157-D162 HydrophobicContact CG2-CB 3.87Å; T157-D162 WeakPolarHBondContact O-CB 3.41Å; T157-D162 PolarHBondContact O-N 3.14Å; T157-T165 HydrophobicContact CG2-CG2 4.42Å; T157-L192 HydrophobicContact CG2-CD1 3.92Å; T157-L205 HydrophobicContact CG2-CD2 4.08Å
158L95.1Very high95Very high12 Ų1228.8 Ų28.86%0.06316%0.161CC..Hα-helixtrans-75.5-45.1178.4-62.7170.5000112.3L154 L155 Y156 T160 N161 L200 P202 L205 R270 A274L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 2.66Å; L155-L158 PolarHBondContact O-N 3.34Å; Y156-L158 PolarHBondContact O-N 2.97Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 3.46Å; L158-N161 PolarHBondContact O-N 3.49Å; L158-L200 WeakPolarHBondContact CD1-O 3.28Å; L158-L200 HydrophobicContact CD2-CB 3.88Å; L158-P202 HydrophobicContact CD1-CG 4.11Å; L158-L205 HydrophobicContact CD1-CD2 4.43Å; L158-L205 HydrophobicContact CD2-CD2 4.12Å; L158-L205 HydrophobicContact CG-CD2 4.06Å; L158-R270 WeakPolarHBondContact O-CD 3.49Å; L158-R270 WeakPolarHBondContact O-CG 3.26Å; L158-R270 PolarHBondContact O-NE 2.88Å; L158-A274 HydrophobicContact CB-CB 3.8Å
159L94.2Very high95Very high10 Ų1027.8 Ų27.85%0.05216%0.157CC..Hα-helixtrans-57.3-43.8179.9-72.3-174.8000112.2L155 Y156 N161 M255 R270 Y271 A274 F275L155-L159 HydrophobicContact CD2-CD1 3.38Å; L155-L159 HydrophobicContact CD2-CG 3.88Å; L155-L159 HydrophobicContact CG-CD1 4.38Å; L155-L159 HydrophobicContact CG-CG 4.45Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 2.95Å; Y156-L159 PolarHBondContact O-N 3.22Å; L159-N161 PolarHBondContact O-N 2.97Å; L159-M255 HydrophobicContact CD1-CE 3.79Å; L159-R270 PolarHBondContact O-NE 2.93Å; L159-R270 PolarHBondContact O-NH2 3.32Å; L159-Y271 HydrophobicContact CB-CE1 4.41Å; L159-Y271 HydrophobicContact CD2-CD1 3.65Å; L159-Y271 HydrophobicContact CD2-CD2 4.05Å; L159-Y271 HydrophobicContact CD2-CE1 3.91Å; L159-Y271 HydrophobicContact CD2-CE2 4.27Å; L159-Y271 HydrophobicContact CD2-CG 3.73Å; L159-Y271 WeakPolarHBondContact O-CE1 3.41Å; L159-A274 HydrophobicContact CD2-CB 3.59Å; L159-A274 HydrophobicContact CG-CB 4.07Å; L159-F275 HydrophobicContact CD1-CE1 3.9Å; L159-F275 HydrophobicContact CD1-CZ 3.77Å; L159-F275 HydrophobicContact CD2-CD2 4.42Å; L159-F275 HydrophobicContact CD2-CE1 4.22Å; L159-F275 HydrophobicContact CD2-CE2 3.85Å; L159-F275 HydrophobicContact CD2-CZ 3.72Å; L159-F275 HydrophobicContact CG-CZ 4.39Å
160T92.8Very high95Very high62 Ų6226.7 Ų26.738%0.3815%0.152SC..THydrogen-bonded Turntrans-82.94.1179.460.10000114.3W148 Y156 L158 D162W148-T160 HydrophobicContact CH2-CG2 3.45Å; W148-T160 VanDerWaalsContact CH2-CG2 3.45Å; W148-T160 HydrophobicContact CZ2-CG2 3.42Å; W148-T160 VanDerWaalsContact CZ2-CG2 3.42Å; W148-T160 VanDerWaalsContact CZ2-OG1 3.28Å; W148-T160 WeakPolarHBondContact CZ2-OG1 3.49Å; Y156-T160 PolarHBondContact O-N 3.24Å; Y156-T160 PolarHBondContact O-OG1 3.22Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 3.46Å; T160-D162 PolarHBondContact O-N 3.12Å; T160-D162 VanDerWaalsContact OG1-CG 3.25Å; T160-D162 PolarHBondContact OG1-OD1 3.32Å
161N91.5Very high95Very high57 Ų5730 Ų3031%0.30516%0.157SC..THydrogen-bonded Turntrans56.638179.1-160.912.6000112.7T157 L158 L159 K163T157-N161 PolarHBondContact O-N 3.02Å; L158-N161 PolarHBondContact O-N 3.49Å; L159-N161 PolarHBondContact O-N 2.97Å; N161-K163 PolarHBondContact ND2-NZ 3.37Å; N161-K163 PolarHBondContact O-N 2.73Å; N161-K163 PolarHBondContact OD1-NZ 3.31Å
162D92.3Very high94.9Very high21 Ų2127.6 Ų27.611%0.11214%0.137CC..  trans-59.5128.8179.2-74.12.4000109.4R147 W148 T157 T160 V164 L192R147-D162 IonicContact CZ-OD1 3.96Å; R147-D162 IonicContact CZ-OD2 2.8Å; R147-D162 IonicContact NE-OD1 2.83Å; R147-D162 IonicContact NE-OD2 3.15Å; R147-D162 PolarHBondContact NE-OD2 3.29Å; R147-D162 IonicContact NH2-OD1 2.83Å; R147-D162 PolarHBondContact NH2-OD1 3.17Å; R147-D162 IonicContact NH2-OD2 2.73Å; R147-D162 PolarHBondContact NH2-OD2 3.07Å; W148-D162 PolarHBondContact NE1-OD2 3.22Å; T157-D162 HydrophobicContact CG2-CB 3.87Å; T157-D162 WeakPolarHBondContact O-CB 3.41Å; T157-D162 PolarHBondContact O-N 3.14Å; T160-D162 PolarHBondContact O-N 3.12Å; T160-D162 VanDerWaalsContact OG1-CG 3.25Å; T160-D162 PolarHBondContact OG1-OD1 3.32Å; D162-V164 VanDerWaalsContact C-N 3.32Å; D162-L192 WeakPolarHBondContact O-CD1 3.31Å
163K90.9Very high94.2Very high112 Ų11228.8 Ų28.849%0.48714%0.143SC..SBendtrans-82.3-18177.2-55.6-51.4-177.8-174.10112.8N161 L192N161-K163 PolarHBondContact ND2-NZ 3.37Å; N161-K163 PolarHBondContact O-N 2.73Å; N161-K163 PolarHBondContact OD1-NZ 3.31Å; K163-L192 PolarHBondContact O-N 3.39Å
164V93Very high93.4Very high58 Ų5830.8 Ų30.835%0.35216%0.156SC..EExtended strand (participates in β ladder)trans-136131.9-177.6178.20000107.5L144 D162 S189 I190L144-V164 HydrophobicContact CD1-CG1 4.1Å; D162-V164 VanDerWaalsContact C-N 3.32Å; V164-S189 WeakPolarHBondContact CG1-OG 3.42Å; V164-I190 WeakPolarHBondContact CA-O 3.47Å
165T95.5Very high92.6Very high3 Ų336.9 Ų36.92%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-126-160.6168.5-165.60000108.4L144 T157 I190 L192 L209L144-T165 WeakPolarHBondContact CD1-O 3.42Å; T157-T165 HydrophobicContact CG2-CG2 4.42Å; T165-I190 PolarHBondContact N-O 3.06Å; T165-I190 PolarHBondContact O-N 3.31Å; T165-L192 HydrophobicContact CG2-CD2 3.44Å; T165-L192 VanDerWaalsContact CG2-CD2 3.44Å; T165-L192 HydrophobicContact CG2-CG 4.29Å; T165-L209 HydrophobicContact CG2-CD1 3.87Å; T165-L209 HydrophobicContact CG2-CD2 3.76Å; T165-L209 HydrophobicContact CG2-CG 4.41Å
166G96.2Very high91.7Very high0 Ų039.1 Ų39.10%020%0.196CC..EExtended strand (participates in β ladder)trans-175.9-171.2173.300000113.8P142 S143 K188P142-G166 CarbonylContact C-O 3.49Å; S143-G166 CarbonylContact C-O 3.54Å; S143-G166 VanDerWaalsContact CA-O 3.32Å; S143-G166 WeakPolarHBondContact CA-O 3.5Å; S143-G166 PolarHBondContact N-O 3.33Å; G166-K188 CarbonylContact C-O 3.46Å; G166-K188 WeakPolarHBondContact CA-O 3.04Å
167I97.9Very high90.8Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-117.3133.5169.4-58.4-59.5000107.6I140 P142 L169 Q187 K188 I190 L209 H212 A216I140-I167 HydrophobicContact CG2-CG2 3.85Å; P142-I167 HydrophobicContact CB-CD1 4Å; I167-L169 HydrophobicContact CG2-CD1 3.65Å; I167-Q187 CarbonylContact O-C 3.6Å; I167-Q187 VanDerWaalsContact O-CA 3.31Å; I167-Q187 WeakPolarHBondContact O-CA 3.39Å; I167-K188 PolarHBondContact N-O 3.35Å; I167-K188 PolarHBondContact O-N 3.15Å; I167-I190 HydrophobicContact CG1-CD1 4.09Å; I167-L209 HydrophobicContact CD1-CB 4.07Å; I167-L209 HydrophobicContact CD1-CD1 4.42Å; I167-H212 HydrophobicContact CG1-CB 4.39Å; I167-A216 HydrophobicContact CG2-CB 4.21Å
168T97.3Very high90.2Very high0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-119.2129.5171.3-56.80000109.7H141 S143 L145 V184 Y186 Q187H141-T168 PolarHBondContact N-O 3.34Å; H141-T168 PolarHBondContact O-N 2.71Å; S143-T168 WeakPolarHBondContact O-CB 3.46Å; S143-T168 PolarHBondContact O-N 3Å; S143-T168 PolarHBondContact O-OG1 3.02Å; L145-T168 HydrophobicContact CB-CG2 4.05Å; L145-T168 HydrophobicContact CD1-CG2 3.96Å; L145-T168 HydrophobicContact CG-CG2 4.14Å; L145-T168 PolarHBondContact N-OG1 3.08Å; L145-T168 VanDerWaalsContact N-OG1 3.13Å; T168-V184 HydrophobicContact CG2-CB 4.25Å; T168-V184 HydrophobicContact CG2-CG1 3.71Å; T168-V184 HydrophobicContact CG2-CG2 3.67Å; T168-Y186 CarbonylContact C-O 3.59Å; T168-Y186 WeakPolarHBondContact CA-O 3.18Å; T168-Q187 PolarHBondContact OG1-NE2 2.92Å
169L97Very high90Very high0 Ų051.9 Ų51.90%027%0.269CS..EExtended strand (participates in β ladder)trans-104.7129165.1-76.771.2000108.5F138 N139 I140 I167 L185 Y186 A216 V220F138-L169 HydrophobicContact CD2-CB 4.48Å; F138-L169 HydrophobicContact CD2-CD2 3.86Å; F138-L169 HydrophobicContact CD2-CG 4.25Å; F138-L169 HydrophobicContact CE2-CD2 3.55Å; F138-L169 HydrophobicContact CE2-CG 4.32Å; F138-L169 HydrophobicContact CZ-CD2 4.12Å; N139-L169 VanDerWaalsContact O-CA 3.3Å; N139-L169 WeakPolarHBondContact O-CA 3.28Å; I140-L169 HydrophobicContact CB-CG 4.41Å; I140-L169 HydrophobicContact CD1-CD2 4.49Å; I140-L169 HydrophobicContact CG1-CD1 4.47Å; I140-L169 HydrophobicContact CG1-CD2 4.15Å; I140-L169 HydrophobicContact CG1-CG 3.98Å; I140-L169 HydrophobicContact CG2-CD1 3.95Å; I140-L169 HydrophobicContact CG2-CG 4.32Å; I167-L169 HydrophobicContact CG2-CD1 3.65Å; L169-L185 PolarHBondContact O-N 3.39Å; L169-Y186 HydrophobicContact CD1-CD1 4.26Å; L169-Y186 PolarHBondContact N-O 3.07Å; L169-Y186 PolarHBondContact O-N 3.33Å; L169-Y186 VanDerWaalsContact O-N 3.14Å; L169-A216 HydrophobicContact CD1-CB 3.56Å; L169-A216 WeakPolarHBondContact CD2-O 3.47Å; L169-V220 HydrophobicContact CB-CG2 4.12Å; L169-V220 HydrophobicContact CD2-CB 3.79Å; L169-V220 HydrophobicContact CD2-CG1 4.39Å; L169-V220 HydrophobicContact CD2-CG2 3.5Å; L169-V220 VanDerWaalsContact CD2-CG2 3.5Å; L169-V220 HydrophobicContact CG-CG2 4.37Å
170F94.7Very high89.9Confident2 Ų251.9 Ų51.91%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-134.9146.4-17866.2-95.8000112.2F138 N139 H141 L145 L172 D180 S183F138-F170 CarbonylContact C-O 3.49Å; F138-F170 WeakPolarHBondContact CA-O 3.41Å; F138-F170 WeakPolarHBondContact CB-O 3.34Å; N139-F170 HydrophobicContact CB-CD1 4.42Å; N139-F170 HydrophobicContact CB-CD2 4.4Å; N139-F170 HydrophobicContact CB-CE1 3.86Å; N139-F170 HydrophobicContact CB-CE2 3.88Å; N139-F170 HydrophobicContact CB-CZ 3.57Å; N139-F170 PolarHBondContact N-O 3Å; N139-F170 PolarHBondContact O-N 3.5Å; H141-F170 HydrophobicContact CB-CD1 4.34Å; H141-F170 HydrophobicContact CB-CE1 3.88Å; L145-F170 HydrophobicContact CD1-CD1 3.45Å; L145-F170 VanDerWaalsContact CD1-CD1 3.45Å; L145-F170 HydrophobicContact CD1-CE1 3.68Å; L145-F170 HydrophobicContact CD1-CG 4.26Å; F170-L172 HydrophobicContact CD2-CD2 4.1Å; F170-L172 HydrophobicContact CE2-CD2 3.51Å; F170-L172 HydrophobicContact CZ-CD2 4.4Å; F170-D180 HydrophobicContact CE1-CB 4.34Å; F170-D180 HydrophobicContact CZ-CB 4.12Å; F170-D180 WeakPolarHBondContact CZ-OD1 3.17Å; F170-S183 CarbonylContact C-O 3.58Å; F170-S183 VanDerWaalsContact CA-O 3.24Å; F170-S183 WeakPolarHBondContact CA-O 3.44Å; F170-S183 WeakPolarHBondContact CB-O 3.36Å
171R93.7Very high89.8Confident97 Ų9750 Ų5037%0.36626%0.259SS..EExtended strand (participates in β ladder)trans-71131.1178.1-172.882171.5-179.9-0.6110.4H135 G136 G182 S183 L185H135-R171 PolarHBondContact O-NH1 2.97Å; G136-R171 VanDerWaalsContact CA-NH2 3.34Å; R171-G182 WeakPolarHBondContact O-CA 3.37Å; R171-S183 PolarHBondContact N-O 3.09Å; R171-L185 HydrophobicContact CB-CD1 4.29Å; R171-L185 HydrophobicContact CB-CD2 4.18Å; R171-L185 HydrophobicContact CB-CG 4.25Å
172L91.8Very high89.7Confident37 Ų3747.4 Ų47.419%0.19425%0.245CC..  trans-81.1129.8165.7-58.9-176.8000109.1I118 L125 L130 C137 N139 F170I118-L172 HydrophobicContact CD1-CD1 3.62Å; I118-L172 HydrophobicContact CG1-CD1 3.86Å; L125-L172 HydrophobicContact CD2-CD1 4.14Å; L130-L172 HydrophobicContact CD1-CB 4.31Å; L130-L172 HydrophobicContact CD2-CB 3.78Å; L130-L172 HydrophobicContact CD2-CD1 4.01Å; C137-L172 HydrophobicContact CB-CB 4.03Å; C137-L172 HydrophobicContact CB-CD1 4.1Å; C137-L172 HydrophobicContact CB-CG 4.31Å; C137-L172 PolarHBondContact O-N 3.01Å; N139-L172 HydrophobicContact CB-CD2 4.18Å; F170-L172 HydrophobicContact CD2-CD2 4.1Å; F170-L172 HydrophobicContact CE2-CD2 3.51Å; F170-L172 HydrophobicContact CZ-CD2 4.4Å
173N80.7Confident89.7Confident65 Ų6548 Ų4835%0.34825%0.251SS..  trans-118.2134.2179.6-175.3-33.8000109.6M175 H176N173-M175 PolarHBondContact O-N 3.29Å; N173-M175 PolarHBondContact OD1-N 2.63Å; N173-H176 PolarHBondContact O-N 3.28Å
174P80.3Confident89.9Confident50 Ų5043 Ų4333%0.32523%0.23SC..THydrogen-bonded Turntrans-47.3-26.5171.7-33.538.3000116.8S127 L130S127-P174 PolarHBondContact OG-O 3.26Å; L130-P174 HydrophobicContact CB-CG 4.33Å
175M79.5Confident89.9Confident148 Ų14841.2 Ų41.273%0.72922%0.218SC*.THydrogen-bonded Turntrans-84.9-16.7-179.3-62.6-63.8105.600113.6N173N173-M175 PolarHBondContact O-N 3.29Å; N173-M175 PolarHBondContact OD1-N 2.63Å
176H78.3Confident89.9Confident50 Ų5043.1 Ų43.123%0.23123%0.225CC..  trans-76.7132.7179.1-69.1171.4000109.6F124 N173 S181 G182F124-H176 VanDerWaalsContact CZ-O 3.29Å; F124-H176 WeakPolarHBondContact CZ-O 3.31Å; N173-H176 PolarHBondContact O-N 3.28Å; H176-S181 WeakPolarHBondContact CB-OG 3.47Å; H176-S181 PolarHBondContact CE1-O 3.5Å; H176-S181 VanDerWaalsContact CG-OG 3.27Å; H176-S181 PolarHBondContact ND1-O 3.38Å; H176-S181 PolarHBondContact ND1-OG 3.07Å; H176-G182 VanDerWaalsContact CE1-CA 3.45Å; H176-G182 WeakPolarHBondContact CE1-CA 3.42Å; H176-G182 WeakPolarHBondContact ND1-CA 3.45Å
177T77.8Confident89.8Confident123 Ų12345.9 Ų45.976%0.75524%0.238SC*.  trans-113.1-0.5178.855.60000112.7
178T84.7Confident89.6Confident82 Ų8249.1 Ų49.150%0.50325%0.252SS..SBendtrans-119.7151-178.263.40000110.5S181T178-S181 PolarHBondContact O-OG 3.15Å; T178-S181 VanDerWaalsContact OG1-CB 3.25Å; T178-S181 WeakPolarHBondContact OG1-CB 3.34Å; T178-S181 PolarHBondContact OG1-OG 3.34Å
179F89.7Confident89.6Confident112 Ų11253 Ų5349%0.49128%0.279SS..THydrogen-bonded Turntrans-66.3145.8173.5-75.2-85.9000110.4F124 S181F124-F179 HydrophobicContact CB-CE1 4.33Å; F124-F179 HydrophobicContact CB-CZ 3.85Å; F124-F179 HydrophobicContact CD2-CD1 4.46Å; F124-F179 HydrophobicContact CD2-CD2 4.42Å; F124-F179 HydrophobicContact CD2-CE1 4.14Å; F124-F179 HydrophobicContact CD2-CE2 4.09Å; F124-F179 AromaticContact CD2-CZ 3.95Å; F124-F179 HydrophobicContact CD2-CZ 3.95Å; F124-F179 HydrophobicContact CG-CZ 4.42Å; F179-S181 VanDerWaalsContact C-N 3.29Å; F179-S181 PolarHBondContact O-N 2.77Å
180D93.1Very high89.5Confident11 Ų1153.4 Ų53.46%0.05928%0.282CS..THydrogen-bonded Turntrans56.935.4172-44.4-35.5000114.8H141 L145 K149 G150 F170 Q234H141-D180 IonicContact CE1-OD2 2.69Å; L145-D180 HydrophobicContact CD1-CB 4.24Å; L145-D180 HydrophobicContact CD2-CB 4.21Å; K149-D180 HydrophobicContact CB-CB 4.2Å; K149-D180 WeakPolarHBondContact CE-O 3.49Å; K149-D180 HydrophobicContact CG-CB 4.11Å; K149-D180 PolarHBondContact NZ-O 2.92Å; G150-D180 WeakPolarHBondContact CA-OD2 3.29Å; G150-D180 PolarHBondContact N-OD2 3.44Å; F170-D180 HydrophobicContact CE1-CB 4.34Å; F170-D180 HydrophobicContact CZ-CB 4.12Å; F170-D180 WeakPolarHBondContact CZ-OD1 3.17Å; D180-Q234 PolarHBondContact O-NE2 2.88Å; D180-Q234 PolarHBondContact O-OE1 3.04Å
181S89.3Confident89.5Confident23 Ų2360.7 Ų60.716%0.16131%0.309CS..  trans-107.84.1178.873.20000114.8H176 T178 F179H176-S181 WeakPolarHBondContact CB-OG 3.47Å; H176-S181 PolarHBondContact CE1-O 3.5Å; H176-S181 VanDerWaalsContact CG-OG 3.27Å; H176-S181 PolarHBondContact ND1-O 3.38Å; H176-S181 PolarHBondContact ND1-OG 3.07Å; T178-S181 PolarHBondContact O-OG 3.15Å; T178-S181 VanDerWaalsContact OG1-CB 3.25Å; T178-S181 WeakPolarHBondContact OG1-CB 3.34Å; T178-S181 PolarHBondContact OG1-OG 3.34Å; F179-S181 VanDerWaalsContact C-N 3.29Å; F179-S181 PolarHBondContact O-N 2.77Å
182G90.5Very high89.4Confident1 Ų156.9 Ų56.91%0.0130%0.296CS..SBendtrans-62.5155.2179.500000115.3R171 H176 V184 Q234R171-G182 WeakPolarHBondContact O-CA 3.37Å; H176-G182 VanDerWaalsContact CE1-CA 3.45Å; H176-G182 WeakPolarHBondContact CE1-CA 3.42Å; H176-G182 WeakPolarHBondContact ND1-CA 3.45Å; G182-V184 PolarHBondContact O-N 3.24Å; G182-Q234 PolarHBondContact O-NE2 2.82Å
183S92.4Very high89Confident34 Ų3457.7 Ų57.724%0.23830%0.304CS..PPolyproline II helixtrans-63130.4167.6-470000109.6F170 R171 L185 V232F170-S183 CarbonylContact C-O 3.58Å; F170-S183 VanDerWaalsContact CA-O 3.24Å; F170-S183 WeakPolarHBondContact CA-O 3.44Å; F170-S183 WeakPolarHBondContact CB-O 3.36Å; R171-S183 PolarHBondContact N-O 3.09Å; S183-L185 PolarHBondContact O-N 2.73Å; S183-V232 CarbonylContact C-O 3.48Å; S183-V232 WeakPolarHBondContact CA-O 3.47Å
184V94.1Very high88.4Confident7 Ų757.1 Ų57.14%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-74.4122.4-177.9173.70000109.4T168 G182 Q187 G231 V232 Q234 I237T168-V184 HydrophobicContact CG2-CB 4.25Å; T168-V184 HydrophobicContact CG2-CG1 3.71Å; T168-V184 HydrophobicContact CG2-CG2 3.67Å; G182-V184 PolarHBondContact O-N 3.24Å; V184-Q187 HydrophobicContact CG1-CB 4.08Å; V184-G231 CarbonylContact O-C 3.53Å; V184-G231 WeakPolarHBondContact O-CA 3.43Å; V184-V232 PolarHBondContact N-O 3.1Å; V184-V232 PolarHBondContact O-N 2.93Å; V184-Q234 HydrophobicContact CG2-CG 3.75Å; V184-I237 HydrophobicContact CB-CD1 3.53Å; V184-I237 HydrophobicContact CG1-CD1 3.89Å; V184-I237 HydrophobicContact CG2-CD1 3.58Å
185L94.3Very high87.7Confident20 Ų2058.6 Ų58.611%0.10531%0.309CS..EExtended strand (participates in β ladder)trans-87.3-43.8174.4-58.5173.9000110.1F138 L169 R171 S183 V220 H228 L229F138-L185 HydrophobicContact CB-CD1 3.73Å; F138-L185 HydrophobicContact CG-CD1 4.41Å; L169-L185 PolarHBondContact O-N 3.39Å; R171-L185 HydrophobicContact CB-CD1 4.29Å; R171-L185 HydrophobicContact CB-CD2 4.18Å; R171-L185 HydrophobicContact CB-CG 4.25Å; S183-L185 PolarHBondContact O-N 2.73Å; L185-V220 HydrophobicContact CB-CG2 4.47Å; L185-V220 HydrophobicContact CD1-CG1 4.01Å; L185-H228 VanDerWaalsContact O-O 3.13Å; L185-L229 VanDerWaalsContact CD2-O 3.31Å; L185-L229 WeakPolarHBondContact CD2-O 3.4Å; L185-L229 WeakPolarHBondContact O-CA 3.48Å; L185-L229 WeakPolarHBondContact O-CD2 3.39Å
186Y94.4Very high86.8Confident43 Ų4356.1 Ų56.117%0.16929%0.294CS..EExtended strand (participates in β ladder)trans-144.2144.2-177.3178.9-84.1000110T168 L169 K188 A216 E219 V220 L229T168-Y186 CarbonylContact C-O 3.59Å; T168-Y186 WeakPolarHBondContact CA-O 3.18Å; L169-Y186 HydrophobicContact CD1-CD1 4.26Å; L169-Y186 PolarHBondContact N-O 3.07Å; L169-Y186 PolarHBondContact O-N 3.33Å; L169-Y186 VanDerWaalsContact O-N 3.14Å; Y186-K188 HydrophobicContact CE1-CB 3.62Å; Y186-A216 HydrophobicContact CD1-CB 3.63Å; Y186-A216 HydrophobicContact CE1-CB 3.38Å; Y186-E219 HydrophobicContact CE2-CB 4.36Å; Y186-E219 HydrophobicContact CE2-CG 4.48Å; Y186-V220 HydrophobicContact CG-CG2 4.38Å; Y186-L229 HydrophobicContact CD2-CD2 4.34Å
187Q94.3Very high86.2Confident58 Ų5856.8 Ų56.827%0.27130%0.299SS..EExtended strand (participates in β ladder)trans-144.7133.1172.8-168.9171.263.600110.9L144 L145 I167 T168 V184L144-Q187 VanDerWaalsContact C-NE2 3.3Å; L144-Q187 VanDerWaalsContact CA-NE2 3.28Å; L144-Q187 HydrophobicContact CD2-CG 3.35Å; L145-Q187 VanDerWaalsContact N-NE2 3.18Å; L145-Q187 PolarHBondContact O-NE2 3.46Å; I167-Q187 CarbonylContact O-C 3.6Å; I167-Q187 VanDerWaalsContact O-CA 3.31Å; I167-Q187 WeakPolarHBondContact O-CA 3.39Å; T168-Q187 PolarHBondContact OG1-NE2 2.92Å; V184-Q187 HydrophobicContact CG1-CB 4.08Å
188K94.7Very high85.9Confident68 Ų6853.8 Ų53.830%0.29628%0.281SS..EExtended strand (participates in β ladder)trans-124.7117.1175.9-179.6167.9-178.6163.30110.7G166 I167 Y186 I190 H212G166-K188 CarbonylContact C-O 3.46Å; G166-K188 WeakPolarHBondContact CA-O 3.04Å; I167-K188 PolarHBondContact N-O 3.35Å; I167-K188 PolarHBondContact O-N 3.15Å; Y186-K188 HydrophobicContact CE1-CB 3.62Å; K188-I190 HydrophobicContact CG-CD1 4.49Å; K188-I190 HydrophobicContact CG-CG1 4.09Å; K188-H212 HydrophobicContact CD-CB 4.45Å
189S96.1Very high86.1Confident81 Ų8151.4 Ų51.457%0.56627%0.265SS*.EExtended strand (participates in β ladder)trans-75.6132.6171.8-178.30000110.6V164V164-S189 WeakPolarHBondContact CG1-OG 3.42Å
190I96.1Very high86.2Confident9 Ų947.7 Ų47.75%0.04625%0.25CC..EExtended strand (participates in β ladder)trans-134.3117.1-174.7-59.6161.4000107.7V164 T165 I167 K188 L192 Y208 L209 H212V164-I190 WeakPolarHBondContact CA-O 3.47Å; T165-I190 PolarHBondContact N-O 3.06Å; T165-I190 PolarHBondContact O-N 3.31Å; I167-I190 HydrophobicContact CG1-CD1 4.09Å; K188-I190 HydrophobicContact CG-CD1 4.49Å; K188-I190 HydrophobicContact CG-CG1 4.09Å; I190-L192 PolarHBondContact O-N 2.75Å; I190-Y208 HydrophobicContact CG2-CE1 3.75Å; I190-L209 HydrophobicContact CB-CD2 4.17Å; I190-L209 HydrophobicContact CD1-CD2 3.64Å; I190-L209 HydrophobicContact CG2-CD2 3.88Å; I190-H212 HydrophobicContact CD1-CB 3.57Å
191R94.3Very high86.2Confident155 Ų15547.7 Ų47.759%0.58525%0.25SS*.EExtended strand (participates in β ladder)trans-69.3129.4172.1-171.8176.6-179.5117.3-2.7108.8Y208 D334R191-Y208 PolarHBondContact O-OH 2.65Å; R191-D334 IonicContact NH2-OD2 3.63Å
192L91.5Very high86.5Confident17 Ų1747.6 Ų47.69%0.08925%0.249CC..PPolyproline II helixtrans-68.7145.6174.5-65.1-168.8000110.1T157 D162 K163 T165 I190 C194 L205T157-L192 HydrophobicContact CG2-CD1 3.92Å; D162-L192 WeakPolarHBondContact O-CD1 3.31Å; K163-L192 PolarHBondContact O-N 3.39Å; T165-L192 HydrophobicContact CG2-CD2 3.44Å; T165-L192 VanDerWaalsContact CG2-CD2 3.44Å; T165-L192 HydrophobicContact CG2-CG 4.29Å; I190-L192 PolarHBondContact O-N 2.75Å; L192-C194 PolarHBondContact O-N 3.01Å; L192-C194 VanDerWaalsContact O-N 3.13Å; L192-L205 HydrophobicContact CD2-CD1 3.39Å
193P83.9Confident86.7Confident55 Ų5553.3 Ų53.336%0.35728%0.279SS..PPolyproline II helixtrans-64119.7174.927.3-32.6000108.8N195 L200 Y208P193-N195 PolarHBondContact O-N 3.19Å; P193-L200 HydrophobicContact CG-CD1 3.95Å; P193-Y208 HydrophobicContact CG-CD2 4.49Å; P193-Y208 HydrophobicContact CG-CE2 4.3Å
194C67.6Low86.8Confident53 Ų5355.8 Ų55.836%0.35829%0.287SS..  trans-74.675.4165.4-60.50000107.8L192 K196 D334L192-C194 PolarHBondContact O-N 3.01Å; L192-C194 VanDerWaalsContact O-N 3.13Å; C194-K196 PolarHBondContact O-N 3.15Å; C194-D334 VanDerWaalsContact CB-OD1 3.25Å; C194-D334 WeakPolarHBondContact CB-OD1 3.2Å; C194-D334 PolarHBondContact SG-OD1 3.4Å
195N64.4Low86.9Confident80 Ų8055.5 Ų55.543%0.42829%0.285SS..  trans-76.9120.8172.3-173.2-5.5000108.6P193 N197 T198P193-N195 PolarHBondContact O-N 3.19Å; N195-N197 PolarHBondContact O-N 3.04Å; N195-N197 PolarHBondContact OD1-N 3.41Å; N195-T198 WeakPolarHBondContact ND2-CB 3.37Å; N195-T198 PolarHBondContact ND2-OG1 2.96Å
196K62.4Low87Confident97 Ų9755.1 Ų55.142%0.42229%0.285SS..SBendtrans-56.2-35172.9-65.3-176.4177.2-176.50111.2C194 A333 Y336 C337C194-K196 PolarHBondContact O-N 3.15Å; K196-A333 WeakPolarHBondContact CE-O 3.04Å; K196-Y336 CarbonylContact O-C 3.57Å; K196-Y336 VanDerWaalsContact O-C 3.3Å; K196-Y336 WeakPolarHBondContact O-CA 3.26Å; K196-Y336 WeakPolarHBondContact O-CD2 3.38Å; K196-C337 CarbonylContact C-O 3.58Å; K196-C337 CarbonylContact O-C 3.35Å; K196-C337 VanDerWaalsContact O-C 3.3Å; K196-C337 PolarHBondContact O-N 3.19Å
197N65.3Low87Confident63 Ų6358.1 Ų58.134%0.33731%0.308SS..SBendtrans-107.7-9-164-55.2-1.1000114.3N195 Y336 C337 N339N195-N197 PolarHBondContact O-N 3.04Å; N195-N197 PolarHBondContact OD1-N 3.41Å; N197-Y336 VanDerWaalsContact C-CE2 3.43Å; N197-C337 VanDerWaalsContact CA-O 3.25Å; N197-C337 WeakPolarHBondContact CA-O 2.94Å; N197-C337 PolarHBondContact OD1-O 3.47Å; N197-N339 HydrophobicContact CB-CB 4.05Å
198T71.5Confident87.1Confident61 Ų6159.7 Ų59.737%0.37431%0.312SS..  trans-143.9125.9-173.2-46.10000112.7N195N195-T198 WeakPolarHBondContact ND2-CB 3.37Å; N195-T198 PolarHBondContact ND2-OG1 2.96Å
199M87.7Confident87.2Confident31 Ų3156.4 Ų56.415%0.15330%0.298CS..PPolyproline II helixtrans-79.1135.2166.6-71.2-65.616700109.4I269 R270 H273 Y336M199-I269 HydrophobicContact CG-CG2 4.13Å; M199-R270 HydrophobicContact SD-CB 4.2Å; M199-R270 HydrophobicContact SD-CG 4.26Å; M199-H273 HydrophobicContact CB-CB 4.08Å; M199-Y336 HydrophobicContact CE-CD1 3.91Å; M199-Y336 HydrophobicContact CE-CD2 3.68Å; M199-Y336 HydrophobicContact CE-CE1 4.42Å; M199-Y336 HydrophobicContact CE-CE2 4.2Å; M199-Y336 HydrophobicContact CE-CG 3.54Å; M199-Y336 HydrophobicContact CG-CD2 4.37Å; M199-Y336 HydrophobicContact CG-CE2 4Å
200L91.6Very high87.3Confident35 Ų3553.6 Ų53.618%0.18328%0.276CS..PPolyproline II helixtrans-76.1145.7178.9-66174.9000111.2L158 P193 Q204 L205L158-L200 WeakPolarHBondContact CD1-O 3.28Å; L158-L200 HydrophobicContact CD2-CB 3.88Å; P193-L200 HydrophobicContact CG-CD1 3.95Å; L200-Q204 HydrophobicContact CD2-CB 3.95Å; L200-L205 HydrophobicContact CD1-CD1 4.25Å
201T94.4Very high87.4Confident11 Ų1156.7 Ų56.77%0.06730%0.297CS..PPolyproline II helixtrans-93.2161.7164.772.40000109.8N203 Q204 L205 H273 Q276T201-N203 PolarHBondContact O-N 2.76Å; T201-Q204 PolarHBondContact O-N 3.2Å; T201-Q204 VanDerWaalsContact O-N 3.12Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.41Å; T201-Q204 PolarHBondContact OG1-N 3.25Å; T201-Q204 VanDerWaalsContact OG1-N 3.16Å; T201-L205 PolarHBondContact O-N 3.36Å; T201-H273 HydrophobicContact CG2-CB 4.38Å; T201-Q276 HydrophobicContact CG2-CB 4.44Å
202P95.5Very high87.6Confident20 Ų2051.6 Ų51.613%0.1328%0.28CS..Hα-helixtrans-54.9-36.4175-2734.9000113.1L154 L155 L158 L205 A206 H273 A274L154-P202 HydrophobicContact CB-CB 4.22Å; L154-P202 WeakPolarHBondContact CD1-O 3.37Å; L155-P202 HydrophobicContact CB-CG 4.25Å; L158-P202 HydrophobicContact CD1-CG 4.11Å; P202-L205 PolarHBondContact O-N 3.25Å; P202-A206 WeakPolarHBondContact O-CB 3.48Å; P202-A206 PolarHBondContact O-N 3.13Å; P202-H273 WeakPolarHBondContact CD-O 3.44Å; P202-A274 WeakPolarHBondContact CD-O 3.47Å; P202-A274 WeakPolarHBondContact CG-O 3.39Å
203N94.8Very high87.9Confident122 Ų12250.8 Ų50.865%0.65228%0.275SS*.Hα-helixtrans-69.3-41.8177.2-72.7-12.9000112.4T201 L205 A206 T207T201-N203 PolarHBondContact O-N 2.76Å; N203-L205 VanDerWaalsContact C-N 3.32Å; N203-A206 WeakPolarHBondContact O-CB 3.32Å; N203-A206 PolarHBondContact O-N 2.82Å; N203-T207 PolarHBondContact O-N 3.05Å; N203-T207 PolarHBondContact O-OG1 3.26Å
204Q94.5Very high88.6Confident86 Ų8649.7 Ų49.740%0.40227%0.266SS..Hα-helixtrans-65.5-39.6175.6-72.3170.1-30.200111.3L200 T201 T207 Y208L200-Q204 HydrophobicContact CD2-CB 3.95Å; T201-Q204 PolarHBondContact O-N 3.2Å; T201-Q204 VanDerWaalsContact O-N 3.12Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.41Å; T201-Q204 PolarHBondContact OG1-N 3.25Å; T201-Q204 VanDerWaalsContact OG1-N 3.16Å; Q204-T207 PolarHBondContact O-N 3Å; Q204-Y208 WeakPolarHBondContact O-CB 3.41Å; Q204-Y208 PolarHBondContact O-N 3.35Å
205L95.4Very high90Very high0 Ų051.5 Ų51.50%027%0.272CS..Hα-helixtrans-64.8-41.6174.6-179.757.3000111.4L154 T157 L158 L192 L200 T201 P202 N203 T207 Y208 L209L154-L205 HydrophobicContact CB-CD2 4.19Å; L154-L205 HydrophobicContact CD2-CD2 3.9Å; L154-L205 HydrophobicContact CD2-CG 3.99Å; T157-L205 HydrophobicContact CG2-CD2 4.08Å; L158-L205 HydrophobicContact CD1-CD2 4.43Å; L158-L205 HydrophobicContact CD2-CD2 4.12Å; L158-L205 HydrophobicContact CG-CD2 4.06Å; L192-L205 HydrophobicContact CD2-CD1 3.39Å; L200-L205 HydrophobicContact CD1-CD1 4.25Å; T201-L205 PolarHBondContact O-N 3.36Å; P202-L205 PolarHBondContact O-N 3.25Å; N203-L205 VanDerWaalsContact C-N 3.32Å; L205-T207 PolarHBondContact O-N 2.97Å; L205-Y208 HydrophobicContact CD1-CD1 4.31Å; L205-Y208 PolarHBondContact O-N 2.99Å; L205-L209 HydrophobicContact CD1-CD1 4.02Å; L205-L209 HydrophobicContact CD1-CD2 4.38Å; L205-L209 HydrophobicContact CD1-CG 3.94Å; L205-L209 HydrophobicContact CG-CD1 4.09Å; L205-L209 HydrophobicContact CG-CG 4.4Å; L205-L209 WeakPolarHBondContact O-CG 3.38Å; L205-L209 PolarHBondContact O-N 3.05Å
206A96.5Very high91.5Very high13 Ų1347.7 Ų47.711%0.10725%0.252CS..Hα-helixtrans-55.9-48.9173.300000111.8Y35 L154 P202 N203 Y208 L209 M210Y35-A206 HydrophobicContact CD2-CB 3.8Å; Y35-A206 HydrophobicContact CE2-CB 4.03Å; L154-A206 HydrophobicContact CD1-CB 3.61Å; P202-A206 WeakPolarHBondContact O-CB 3.48Å; P202-A206 PolarHBondContact O-N 3.13Å; N203-A206 WeakPolarHBondContact O-CB 3.32Å; N203-A206 PolarHBondContact O-N 2.82Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 2.95Å; A206-L209 PolarHBondContact O-N 2.85Å; A206-M210 PolarHBondContact O-N 3.27Å
207T95.8Very high93.2Very high105 Ų10543.1 Ų43.164%0.64423%0.232SC*.Hα-helixtrans-60.2-43.1176.7-59.70000111.7N203 Q204 L205 L209 M210N203-T207 PolarHBondContact O-N 3.05Å; N203-T207 PolarHBondContact O-OG1 3.26Å; Q204-T207 PolarHBondContact O-N 3Å; L205-T207 PolarHBondContact O-N 2.97Å; T207-L209 PolarHBondContact O-N 3.04Å; T207-M210 WeakPolarHBondContact O-CB 3.34Å; T207-M210 PolarHBondContact O-N 3.14Å
208Y95.5Very high94.6Very high91 Ų9141.5 Ų41.536%0.35722%0.222SC..Hα-helixtrans-62-40.9178.4178.2-104.3000112.6I190 R191 P193 Q204 L205 A206 M210I190-Y208 HydrophobicContact CG2-CE1 3.75Å; R191-Y208 PolarHBondContact O-OH 2.65Å; P193-Y208 HydrophobicContact CG-CD2 4.49Å; P193-Y208 HydrophobicContact CG-CE2 4.3Å; Q204-Y208 WeakPolarHBondContact O-CB 3.41Å; Q204-Y208 PolarHBondContact O-N 3.35Å; L205-Y208 HydrophobicContact CD1-CD1 4.31Å; L205-Y208 PolarHBondContact O-N 2.99Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 2.95Å; Y208-M210 VanDerWaalsContact C-N 3.34Å
209L97Very high95.7Very high0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-79.9-15.2-179.9-61.9178.8000113.6P142 L154 T165 I167 I190 L205 A206 T207 H212 S213P142-L209 HydrophobicContact CB-CD1 4.42Å; L154-L209 HydrophobicContact CD2-CD1 3.73Å; T165-L209 HydrophobicContact CG2-CD1 3.87Å; T165-L209 HydrophobicContact CG2-CD2 3.76Å; T165-L209 HydrophobicContact CG2-CG 4.41Å; I167-L209 HydrophobicContact CD1-CB 4.07Å; I167-L209 HydrophobicContact CD1-CD1 4.42Å; I190-L209 HydrophobicContact CB-CD2 4.17Å; I190-L209 HydrophobicContact CD1-CD2 3.64Å; I190-L209 HydrophobicContact CG2-CD2 3.88Å; L205-L209 HydrophobicContact CD1-CD1 4.02Å; L205-L209 HydrophobicContact CD1-CD2 4.38Å; L205-L209 HydrophobicContact CD1-CG 3.94Å; L205-L209 HydrophobicContact CG-CD1 4.09Å; L205-L209 HydrophobicContact CG-CG 4.4Å; L205-L209 WeakPolarHBondContact O-CG 3.38Å; L205-L209 PolarHBondContact O-N 3.05Å; A206-L209 PolarHBondContact O-N 2.85Å; T207-L209 PolarHBondContact O-N 3.04Å; L209-H212 WeakPolarHBondContact O-CB 3.29Å; L209-H212 PolarHBondContact O-N 2.91Å; L209-H212 VanDerWaalsContact O-N 3.13Å; L209-S213 PolarHBondContact O-N 3.15Å
210M98Very high96Very high22 Ų2241.2 Ų41.211%0.10822%0.217CC..Hα-helixtrans-56.4-48.2-170.6-167.959.561.800114.1Y35 P38 H39 A206 T207 Y208 H212 S213 I214Y35-M210 HydrophobicContact CD2-CE 3.78Å; Y35-M210 HydrophobicContact CE2-CE 3.79Å; Y35-M210 HydrophobicContact CG-CE 4.35Å; Y35-M210 WeakPolarHBondContact O-CE 3.34Å; P38-M210 HydrophobicContact CB-CE 4.38Å; P38-M210 HydrophobicContact CB-CG 3.9Å; P38-M210 HydrophobicContact CB-SD 3.68Å; P38-M210 HydrophobicContact CG-CE 4Å; P38-M210 HydrophobicContact CG-CG 4.27Å; P38-M210 HydrophobicContact CG-SD 3.97Å; H39-M210 PolarHBondContact CE1-SD 2.8Å; A206-M210 PolarHBondContact O-N 3.27Å; T207-M210 WeakPolarHBondContact O-CB 3.34Å; T207-M210 PolarHBondContact O-N 3.14Å; Y208-M210 VanDerWaalsContact C-N 3.34Å; M210-H212 VanDerWaalsContact C-N 3.27Å; M210-H212 PolarHBondContact O-N 2.73Å; M210-S213 WeakPolarHBondContact O-CB 3.32Å; M210-S213 PolarHBondContact O-N 2.99Å; M210-S213 VanDerWaalsContact O-N 3.09Å; M210-I214 HydrophobicContact CG-CD1 3.94Å; M210-I214 PolarHBondContact O-N 3.07Å; M210-I214 HydrophobicContact SD-CD1 4.24Å; M210-I214 HydrophobicContact SD-CG1 4.34Å
211P97.9Very high96.1Very high74 Ų7439.6 Ų39.648%0.48121%0.208SC..Hα-helixtrans-62.5-35.9179.2-21.934.8000112.4S213 N215P211-S213 VanDerWaalsContact C-N 3.34Å; P211-N215 WeakPolarHBondContact O-CB 3.29Å; P211-N215 PolarHBondContact O-N 3.2Å; P211-N215 PolarHBondContact O-OD1 3.49Å
212H97.9Very high96Very high48 Ų4840.4 Ų40.422%0.22221%0.212CC..Hα-helixtrans-68.2-36.8175.8-59.9-50.6000112.1I167 K188 I190 L209 M210 A216I167-H212 HydrophobicContact CG1-CB 4.39Å; K188-H212 HydrophobicContact CD-CB 4.45Å; I190-H212 HydrophobicContact CD1-CB 3.57Å; L209-H212 WeakPolarHBondContact O-CB 3.29Å; L209-H212 PolarHBondContact O-N 2.91Å; L209-H212 VanDerWaalsContact O-N 3.13Å; M210-H212 VanDerWaalsContact C-N 3.27Å; M210-H212 PolarHBondContact O-N 2.73Å; H212-A216 VanDerWaalsContact O-CB 3.29Å; H212-A216 WeakPolarHBondContact O-CB 3.14Å; H212-A216 PolarHBondContact O-N 3.48Å
213S98.2Very high95.6Very high0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-66.2-46.3178.1-162.70000112.2Y35 H39 I140 L209 M210 P211 A216 M217Y35-S213 PolarHBondContact OH-OG 3.13Å; H39-S213 PolarHBondContact CE1-OG 3.12Å; H39-S213 WeakPolarHBondContact NE2-CB 3.27Å; H39-S213 PolarHBondContact NE2-OG 3.09Å; I140-S213 VanDerWaalsContact CG2-OG 3.3Å; I140-S213 WeakPolarHBondContact CG2-OG 3.36Å; L209-S213 PolarHBondContact O-N 3.15Å; M210-S213 WeakPolarHBondContact O-CB 3.32Å; M210-S213 PolarHBondContact O-N 2.99Å; M210-S213 VanDerWaalsContact O-N 3.09Å; P211-S213 VanDerWaalsContact C-N 3.34Å; S213-A216 PolarHBondContact O-N 3.31Å; S213-M217 PolarHBondContact O-N 3.32Å
214I98.5Very high94.8Very high32 Ų3240.1 Ų40.116%0.16421%0.205CC..Hα-helixtrans-64.3-45176.5-67.3169000110.9P38 A42 M210 A216 M217 F218P38-I214 HydrophobicContact CB-CD1 4.18Å; A42-I214 HydrophobicContact CB-CD1 4.24Å; A42-I214 HydrophobicContact CB-CG1 4.42Å; A42-I214 HydrophobicContact CB-CG2 3.64Å; M210-I214 HydrophobicContact CG-CD1 3.94Å; M210-I214 PolarHBondContact O-N 3.07Å; M210-I214 HydrophobicContact SD-CD1 4.24Å; M210-I214 HydrophobicContact SD-CG1 4.34Å; I214-A216 VanDerWaalsContact C-N 3.32Å; I214-A216 PolarHBondContact O-N 3.12Å; I214-M217 VanDerWaalsContact O-CB 3.29Å; I214-M217 WeakPolarHBondContact O-CB 3.45Å; I214-M217 PolarHBondContact O-N 3.04Å; I214-F218 HydrophobicContact CG2-CD2 3.92Å; I214-F218 HydrophobicContact CG2-CE2 3.76Å; I214-F218 WeakPolarHBondContact O-CD2 3.28Å; I214-F218 PolarHBondContact O-N 3.12Å; I214-F218 VanDerWaalsContact O-N 3.15Å
215N96.9Very high93.7Very high91 Ų9143 Ų4349%0.48722%0.223SC..Hα-helixtrans-61-43.4177.3-70.62.4000111.4P211 M217 F218 E219P211-N215 WeakPolarHBondContact O-CB 3.29Å; P211-N215 PolarHBondContact O-N 3.2Å; P211-N215 PolarHBondContact O-OD1 3.49Å; N215-M217 VanDerWaalsContact C-N 3.3Å; N215-M217 PolarHBondContact O-N 3.3Å; N215-F218 PolarHBondContact O-N 3.13Å; N215-E219 WeakPolarHBondContact O-CG 3.34Å; N215-E219 PolarHBondContact O-N 3.29Å
216A96.2Very high92.4Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-61.5-38177.100000112.5I167 L169 Y186 H212 S213 I214 E219 V220I167-A216 HydrophobicContact CG2-CB 4.21Å; L169-A216 HydrophobicContact CD1-CB 3.56Å; L169-A216 WeakPolarHBondContact CD2-O 3.47Å; Y186-A216 HydrophobicContact CD1-CB 3.63Å; Y186-A216 HydrophobicContact CE1-CB 3.38Å; H212-A216 VanDerWaalsContact O-CB 3.29Å; H212-A216 WeakPolarHBondContact O-CB 3.14Å; H212-A216 PolarHBondContact O-N 3.48Å; S213-A216 PolarHBondContact O-N 3.31Å; I214-A216 VanDerWaalsContact C-N 3.32Å; I214-A216 PolarHBondContact O-N 3.12Å; A216-E219 PolarHBondContact O-N 2.85Å; A216-V220 PolarHBondContact O-N 3.46Å
217M97.7Very high90.3Very high0 Ų050.5 Ų50.50%027%0.267CS..Hα-helixtrans-56.6-51.5172.9-173.7178.766.500111.7H39 A42 L43 V117 F138 I140 S213 I214 N215 V220 I221H39-M217 HydrophobicContact CB-CE 4.32Å; H39-M217 HydrophobicContact CB-SD 4.01Å; A42-M217 HydrophobicContact CB-CE 4.49Å; L43-M217 HydrophobicContact CD1-CE 4.39Å; L43-M217 HydrophobicContact CD1-SD 4.29Å; L43-M217 HydrophobicContact CD2-CE 4.03Å; L43-M217 HydrophobicContact CG-CE 3.79Å; L43-M217 HydrophobicContact CG-SD 4.32Å; V117-M217 HydrophobicContact CG1-CG 4.3Å; V117-M217 HydrophobicContact CG1-SD 3.97Å; F138-M217 HydrophobicContact CE2-CG 4.43Å; F138-M217 HydrophobicContact CZ-CG 4.21Å; I140-M217 HydrophobicContact CD1-CB 3.67Å; I140-M217 HydrophobicContact CD1-CG 3.73Å; I140-M217 HydrophobicContact CD1-SD 3.93Å; S213-M217 PolarHBondContact O-N 3.32Å; I214-M217 VanDerWaalsContact O-CB 3.29Å; I214-M217 WeakPolarHBondContact O-CB 3.45Å; I214-M217 PolarHBondContact O-N 3.04Å; N215-M217 VanDerWaalsContact C-N 3.3Å; N215-M217 PolarHBondContact O-N 3.3Å; M217-V220 PolarHBondContact O-N 2.96Å; M217-I221 HydrophobicContact CG-CD1 3.72Å; M217-I221 VanDerWaalsContact O-CG1 3.26Å; M217-I221 WeakPolarHBondContact O-CG1 3.4Å; M217-I221 PolarHBondContact O-N 3.26Å
218F96.1Very high88.6Confident30 Ų3050.7 Ų50.713%0.13226%0.261CS..Hα-helixtrans-68.7-34.7-179.3-75.6-65.7000113.3A42 L43 H46 I53 I214 N215 V220 I221 L222A42-F218 HydrophobicContact CB-CE2 3.97Å; A42-F218 HydrophobicContact CB-CZ 4.31Å; A42-F218 WeakPolarHBondContact O-CZ 3.38Å; L43-F218 HydrophobicContact CD2-CE1 4.03Å; L43-F218 HydrophobicContact CD2-CZ 4.29Å; H46-F218 HydrophobicContact CB-CE1 3.69Å; H46-F218 HydrophobicContact CB-CZ 3.59Å; H46-F218 AromaticContact CG-CE1 3.57Å; H46-F218 AromaticContact CG-CZ 3.94Å; H46-F218 AromaticContact ND1-CE1 3.76Å; I53-F218 HydrophobicContact CD1-CD1 3.84Å; I53-F218 HydrophobicContact CD1-CE1 3.75Å; I214-F218 HydrophobicContact CG2-CD2 3.92Å; I214-F218 HydrophobicContact CG2-CE2 3.76Å; I214-F218 WeakPolarHBondContact O-CD2 3.28Å; I214-F218 PolarHBondContact O-N 3.12Å; I214-F218 VanDerWaalsContact O-N 3.15Å; N215-F218 PolarHBondContact O-N 3.13Å; F218-V220 VanDerWaalsContact C-N 3.31Å; F218-V220 PolarHBondContact O-N 3.09Å; F218-I221 PolarHBondContact O-N 3.19Å; F218-L222 HydrophobicContact CB-CD1 4.29Å; F218-L222 HydrophobicContact CD1-CD1 4.39Å; F218-L222 VanDerWaalsContact O-CB 3.3Å; F218-L222 WeakPolarHBondContact O-CB 3.31Å; F218-L222 WeakPolarHBondContact O-CG 3.48Å; F218-L222 PolarHBondContact O-N 3.31Å
219E93Very high87.1Confident77 Ų7746.9 Ų46.936%0.3625%0.246SC..Hα-helixtrans-56.9-45.7173-73.3-71.4177.600111.5Y186 N215 A216 Y223Y186-E219 HydrophobicContact CE2-CB 4.36Å; Y186-E219 HydrophobicContact CE2-CG 4.48Å; N215-E219 WeakPolarHBondContact O-CG 3.34Å; N215-E219 PolarHBondContact O-N 3.29Å; A216-E219 PolarHBondContact O-N 2.85Å; E219-Y223 PolarHBondContact O-N 2.78Å
220V93.6Very high86.2Confident9 Ų951.9 Ų51.96%0.05528%0.277CS..Hα-helixtrans-71.2-381791750000112.2F138 L169 L185 Y186 A216 M217 F218 L229F138-V220 HydrophobicContact CD1-CG1 3.65Å; F138-V220 HydrophobicContact CE1-CB 4.24Å; F138-V220 HydrophobicContact CE1-CG1 3.57Å; F138-V220 HydrophobicContact CG-CG1 4.28Å; F138-V220 HydrophobicContact CZ-CB 4.43Å; F138-V220 HydrophobicContact CZ-CG1 4.19Å; L169-V220 HydrophobicContact CB-CG2 4.12Å; L169-V220 HydrophobicContact CD2-CB 3.79Å; L169-V220 HydrophobicContact CD2-CG1 4.39Å; L169-V220 HydrophobicContact CD2-CG2 3.5Å; L169-V220 VanDerWaalsContact CD2-CG2 3.5Å; L169-V220 HydrophobicContact CG-CG2 4.37Å; L185-V220 HydrophobicContact CB-CG2 4.47Å; L185-V220 HydrophobicContact CD1-CG1 4.01Å; Y186-V220 HydrophobicContact CG-CG2 4.38Å; A216-V220 PolarHBondContact O-N 3.46Å; M217-V220 PolarHBondContact O-N 2.96Å; F218-V220 VanDerWaalsContact C-N 3.31Å; F218-V220 PolarHBondContact O-N 3.09Å; V220-L229 HydrophobicContact CG2-CD2 4.01Å
221I94.4Very high85.6Confident0 Ų052.5 Ų52.50%029%0.289CS..Hα-helixtrans-69.7-50.1179.5-65.3169.4000111.1I25 L43 I53 L115 V117 F138 M217 F218 P224I25-I221 HydrophobicContact CD1-CG2 3.99Å; I25-I221 WeakPolarHBondContact CD1-O 3.42Å; I25-I221 HydrophobicContact CG2-CG2 4.22Å; L43-I221 HydrophobicContact CD2-CD1 3.94Å; I53-I221 HydrophobicContact CD1-CB 4.35Å; I53-I221 HydrophobicContact CD1-CG2 3.5Å; I53-I221 VanDerWaalsContact CD1-CG2 3.5Å; I53-I221 HydrophobicContact CG1-CG2 3.84Å; L115-I221 HydrophobicContact CD2-CB 4.46Å; L115-I221 HydrophobicContact CD2-CG1 3.76Å; L115-I221 HydrophobicContact CD2-CG2 4.34Å; V117-I221 HydrophobicContact CG2-CD1 4.11Å; V117-I221 HydrophobicContact CG2-CG1 4.49Å; F138-I221 HydrophobicContact CE1-CG1 3.94Å; F138-I221 HydrophobicContact CZ-CD1 4.3Å; F138-I221 HydrophobicContact CZ-CG1 3.86Å; M217-I221 HydrophobicContact CG-CD1 3.72Å; M217-I221 VanDerWaalsContact O-CG1 3.26Å; M217-I221 WeakPolarHBondContact O-CG1 3.4Å; M217-I221 PolarHBondContact O-N 3.26Å; F218-I221 PolarHBondContact O-N 3.19Å; I221-P224 WeakPolarHBondContact O-CD 3.36Å
222L91.9Very high85.2Confident29 Ų2951.8 Ų51.815%0.15228%0.283CS..Hα-helixtrans-82.1-21.3-168.7-65.3175.5000113.5D52 I53 F218 P224D52-L222 VanDerWaalsContact OD2-CD2 3.23Å; D52-L222 WeakPolarHBondContact OD2-CD2 3.47Å; I53-L222 HydrophobicContact CD1-CD2 3.69Å; I53-L222 HydrophobicContact CD1-CG 4.25Å; I53-L222 HydrophobicContact CG1-CD2 3.96Å; F218-L222 HydrophobicContact CB-CD1 4.29Å; F218-L222 HydrophobicContact CD1-CD1 4.39Å; F218-L222 VanDerWaalsContact O-CB 3.3Å; F218-L222 WeakPolarHBondContact O-CB 3.31Å; F218-L222 WeakPolarHBondContact O-CG 3.48Å; F218-L222 PolarHBondContact O-N 3.31Å; L222-P224 VanDerWaalsContact C-CD 3.44Å
223Y86.9Confident84.9Confident95 Ų9553 Ų5337%0.37329%0.291SS..  trans-131.248.6-174.2-52-74.2000114.3E219 N225 L226 L229E219-Y223 PolarHBondContact O-N 2.78Å; Y223-N225 PolarHBondContact O-N 3.25Å; Y223-L226 HydrophobicContact CG-CD1 4.02Å; Y223-L226 WeakPolarHBondContact O-CG 3.48Å; Y223-L226 PolarHBondContact O-N 3.24Å; Y223-L229 WeakPolarHBondContact O-CD1 3.13Å
224P78.2Confident84.6Confident40 Ų4053.5 Ų53.526%0.2629%0.293SS..THydrogen-bonded Turntrans-61.7-20-16927.6-37.3000114.6I221 L222I221-P224 WeakPolarHBondContact O-CD 3.36Å; L222-P224 VanDerWaalsContact C-CD 3.44Å
225N72.7Confident84.3Confident148 Ų14855.3 Ų55.379%0.79131%0.308SS*.THydrogen-bonded Turntrans-934.5-178.1-64.1-22.5000113.7Y223Y223-N225 PolarHBondContact O-N 3.25Å
226L67.2Low84.1Confident59 Ų5954.9 Ų54.931%0.30931%0.309SS..  trans-60.8134.4175.6-76169.7000109.3Y223 H228 L229Y223-L226 HydrophobicContact CG-CD1 4.02Å; Y223-L226 WeakPolarHBondContact O-CG 3.48Å; Y223-L226 PolarHBondContact O-N 3.24Å; L226-H228 PolarHBondContact O-N 2.91Å; L226-L229 HydrophobicContact CB-CD1 4.22Å; L226-L229 HydrophobicContact CB-CG 4.03Å; L226-L229 WeakPolarHBondContact O-CB 3.45Å; L226-L229 PolarHBondContact O-N 3.38Å
227P52.4Low83.9Confident110 Ų11055.5 Ų55.571%0.71431%0.312SS*.G310 helixtrans-55.1-27.9-175.2-27.833.5000114.3L229 V230P227-L229 VanDerWaalsContact C-N 3.33Å; P227-V230 WeakPolarHBondContact O-CG2 3.43Å; P227-V230 PolarHBondContact O-N 2.89Å
228H60Low83.6Confident110 Ų11056.7 Ų56.751%0.50932%0.32SS..G310 helixtrans-81.9-9.4178.464.1-97.5000114.1L185 L226 V230L185-H228 VanDerWaalsContact O-O 3.13Å; L226-H228 PolarHBondContact O-N 2.91Å; H228-V230 VanDerWaalsContact C-N 3.34Å
229L64.4Low83.5Confident11 Ų1159.1 Ų59.16%0.05835%0.346CS..G310 helixtrans-911.6171.7-58.1-174000112.5L185 Y186 V220 Y223 L226 P227 G231L185-L229 VanDerWaalsContact CD2-O 3.31Å; L185-L229 WeakPolarHBondContact CD2-O 3.4Å; L185-L229 WeakPolarHBondContact O-CA 3.48Å; L185-L229 WeakPolarHBondContact O-CD2 3.39Å; Y186-L229 HydrophobicContact CD2-CD2 4.34Å; V220-L229 HydrophobicContact CG2-CD2 4.01Å; Y223-L229 WeakPolarHBondContact O-CD1 3.13Å; L226-L229 HydrophobicContact CB-CD1 4.22Å; L226-L229 HydrophobicContact CB-CG 4.03Å; L226-L229 WeakPolarHBondContact O-CB 3.45Å; L226-L229 PolarHBondContact O-N 3.38Å; P227-L229 VanDerWaalsContact C-N 3.33Å; L229-G231 PolarHBondContact O-N 2.74Å
230V78Confident83.5Confident105 Ų10562.8 Ų62.864%0.63636%0.361SS*.SBendtrans-62.8110.5163.6-179.60000106.8P227 H228 V232P227-V230 WeakPolarHBondContact O-CG2 3.43Å; P227-V230 PolarHBondContact O-N 2.89Å; H228-V230 VanDerWaalsContact C-N 3.34Å; V230-V232 WeakPolarHBondContact O-CG2 3.43Å; V230-V232 PolarHBondContact O-N 2.95Å
231G84.9Confident83.3Confident35 Ų3568.2 Ų68.236%0.36138%0.384SS..PPolyproline II helixtrans-51.8122.8-170.800000112.7V184 L229V184-G231 CarbonylContact O-C 3.53Å; V184-G231 WeakPolarHBondContact O-CA 3.43Å; L229-G231 PolarHBondContact O-N 2.74Å
232V90.4Very high83.2Confident59 Ų5976.5 Ų76.536%0.35842%0.423SS..BIsolated β-bridgetrans-98.7133.8179.3-175.60000109.7S183 V184 V230 V236 I237S183-V232 CarbonylContact C-O 3.48Å; S183-V232 WeakPolarHBondContact CA-O 3.47Å; V184-V232 PolarHBondContact N-O 3.1Å; V184-V232 PolarHBondContact O-N 2.93Å; V230-V232 WeakPolarHBondContact O-CG2 3.43Å; V230-V232 PolarHBondContact O-N 2.95Å; V232-V236 HydrophobicContact CG1-CB 4.07Å; V232-V236 HydrophobicContact CG1-CG1 4.11Å; V232-I237 HydrophobicContact CB-CD1 4.33Å; V232-I237 HydrophobicContact CB-CG1 4.47Å; V232-I237 HydrophobicContact CG1-CD1 4.31Å; V232-I237 HydrophobicContact CG1-CG1 3.93Å
233D91.5Very high82.9Confident74 Ų7476.6 Ų76.640%0.39642%0.424SS..PPolyproline II helixtrans-63.3138.5175-168.9-84.7000111.5S235 V236 I237D233-S235 PolarHBondContact O-N 2.89Å; D233-S235 WeakPolarHBondContact OD1-CB 3.39Å; D233-S235 PolarHBondContact OD1-N 2.8Å; D233-S235 PolarHBondContact OD1-OG 2.79Å; D233-V236 HydrophobicContact CB-CG2 4.22Å; D233-V236 WeakPolarHBondContact O-CB 3.47Å; D233-V236 PolarHBondContact O-N 2.65Å; D233-V236 VanDerWaalsContact O-N 3.11Å; D233-I237 PolarHBondContact O-N 2.99Å
234Q92.2Very high83.1Confident10 Ų1075.2 Ų75.25%0.04743%0.426CS..Hα-helixtrans-64.6-26.2-177.4-66.9-179.227.800113.3P146 D180 G182 V184 V236 I237 S238P146-Q234 HydrophobicContact CB-CB 4.19Å; P146-Q234 HydrophobicContact CG-CB 4.49Å; D180-Q234 PolarHBondContact O-NE2 2.88Å; D180-Q234 PolarHBondContact O-OE1 3.04Å; G182-Q234 PolarHBondContact O-NE2 2.82Å; V184-Q234 HydrophobicContact CG2-CG 3.75Å; Q234-V236 VanDerWaalsContact C-N 3.33Å; Q234-I237 PolarHBondContact O-N 3.22Å; Q234-S238 WeakPolarHBondContact O-CB 3.35Å; Q234-S238 PolarHBondContact O-N 2.7Å
235S91.9Very high83.8Confident69 Ų6978 Ų7848%0.48344%0.437SS..Hα-helixtrans-65.4-37.6174.2660000111.8D233 S238 A239D233-S235 PolarHBondContact O-N 2.89Å; D233-S235 WeakPolarHBondContact OD1-CB 3.39Å; D233-S235 PolarHBondContact OD1-N 2.8Å; D233-S235 PolarHBondContact OD1-OG 2.79Å; S235-S238 WeakPolarHBondContact O-CB 3.45Å; S235-S238 PolarHBondContact O-N 3.32Å; S235-A239 WeakPolarHBondContact O-CB 2.96Å; S235-A239 PolarHBondContact O-N 2.94Å
236V92.9Very high84.9Confident82 Ų8271.8 Ų71.850%0.49741%0.406SS..Hα-helixtrans-65.1-42.5175.1178.90000110.2V232 D233 Q234 A239 K240V232-V236 HydrophobicContact CG1-CB 4.07Å; V232-V236 HydrophobicContact CG1-CG1 4.11Å; D233-V236 HydrophobicContact CB-CG2 4.22Å; D233-V236 WeakPolarHBondContact O-CB 3.47Å; D233-V236 PolarHBondContact O-N 2.65Å; D233-V236 VanDerWaalsContact O-N 3.11Å; Q234-V236 VanDerWaalsContact C-N 3.33Å; V236-A239 PolarHBondContact O-N 2.75Å; V236-K240 VanDerWaalsContact O-CB 3.28Å; V236-K240 WeakPolarHBondContact O-CB 3.45Å; V236-K240 PolarHBondContact O-N 3.42Å
237I91.4Very high86.3Confident13 Ų1375.3 Ų75.37%0.06742%0.416CS..Hα-helixtrans-63.3-46.1175.2-65.3174000110.8V184 V232 D233 Q234 A239 K240 F241 L243V184-I237 HydrophobicContact CB-CD1 3.53Å; V184-I237 HydrophobicContact CG1-CD1 3.89Å; V184-I237 HydrophobicContact CG2-CD1 3.58Å; V232-I237 HydrophobicContact CB-CD1 4.33Å; V232-I237 HydrophobicContact CB-CG1 4.47Å; V232-I237 HydrophobicContact CG1-CD1 4.31Å; V232-I237 HydrophobicContact CG1-CG1 3.93Å; D233-I237 PolarHBondContact O-N 2.99Å; Q234-I237 PolarHBondContact O-N 3.22Å; I237-A239 PolarHBondContact O-N 3Å; I237-K240 PolarHBondContact O-N 2.88Å; I237-F241 HydrophobicContact CG2-CD2 3.95Å; I237-F241 WeakPolarHBondContact O-CD2 3.04Å; I237-F241 PolarHBondContact O-N 3.18Å; I237-L243 HydrophobicContact CG2-CD1 4.11Å
238S92.2Very high88.3Confident25 Ų2570 Ų7018%0.17538%0.382CS..Hα-helixtrans-56.3-49.1177.4-170.80000111.7Q234 S235 Q242 L243Q234-S238 WeakPolarHBondContact O-CB 3.35Å; Q234-S238 PolarHBondContact O-N 2.7Å; S235-S238 WeakPolarHBondContact O-CB 3.45Å; S235-S238 PolarHBondContact O-N 3.32Å; S238-Q242 WeakPolarHBondContact O-CA 3.48Å; S238-Q242 PolarHBondContact O-N 3.34Å; S238-L243 WeakPolarHBondContact CB-O 3.49Å; S238-L243 PolarHBondContact O-N 3.45Å; S238-L243 PolarHBondContact OG-O 2.67Å
239A93.3Very high90Very high82 Ų8273.4 Ų73.468%0.67839%0.39SS*.Hα-helixtrans-64.8-44.5179.200000112.1S235 V236 I237S235-A239 WeakPolarHBondContact O-CB 2.96Å; S235-A239 PolarHBondContact O-N 2.94Å; V236-A239 PolarHBondContact O-N 2.75Å; I237-A239 PolarHBondContact O-N 3Å
240K93Very high91.4Very high154 Ų15479.8 Ų79.867%0.6742%0.417SS*.Hα-helixtrans-67-41.8-177.1-177.1174.2179.11760113.2V236 I237V236-K240 VanDerWaalsContact O-CB 3.28Å; V236-K240 WeakPolarHBondContact O-CB 3.45Å; V236-K240 PolarHBondContact O-N 3.42Å; I237-K240 PolarHBondContact O-N 2.88Å
241F90.3Very high92.2Very high122 Ų12275.2 Ų75.254%0.53539%0.39SS..Hα-helixtrans-107.95-173.1-63.1-72.7000113.8I237 L243I237-F241 HydrophobicContact CG2-CD2 3.95Å; I237-F241 WeakPolarHBondContact O-CD2 3.04Å; I237-F241 PolarHBondContact O-N 3.18Å; F241-L243 HydrophobicContact CB-CD1 4.06Å; F241-L243 HydrophobicContact CB-CG 3.89Å; F241-L243 PolarHBondContact O-N 3.5Å; F241-L243 VanDerWaalsContact O-N 3.15Å
242Q91.1Very high92.7Very high175 Ų17577.2 Ų77.282%0.81839%0.39SS*.THydrogen-bonded Turntrans53.933.6-176.7-60.2164.115.300112S238 P244S238-Q242 WeakPolarHBondContact O-CA 3.48Å; S238-Q242 PolarHBondContact O-N 3.34Å; Q242-P244 WeakPolarHBondContact O-CD 3.32Å
243L86.8Confident92.9Very high31 Ų3178 Ų7816%0.16240%0.396CS..PPolyproline II helixtrans-81.3119.8178.6-72.6175000109.3L144 I237 S238 F241L144-L243 HydrophobicContact CB-CD1 4.3Å; I237-L243 HydrophobicContact CG2-CD1 4.11Å; S238-L243 WeakPolarHBondContact CB-O 3.49Å; S238-L243 PolarHBondContact O-N 3.45Å; S238-L243 PolarHBondContact OG-O 2.67Å; F241-L243 HydrophobicContact CB-CD1 4.06Å; F241-L243 HydrophobicContact CB-CG 3.89Å; F241-L243 PolarHBondContact O-N 3.5Å; F241-L243 VanDerWaalsContact O-N 3.15Å
244P90.9Very high93Very high65 Ų6582.2 Ų82.242%0.42241%0.407SS..PPolyproline II helixtrans-73.7135.9-17730.5-36.1000111.2R147 Q242 S246R147-P244 WeakPolarHBondContact CA-O 3.26Å; Q242-P244 WeakPolarHBondContact O-CD 3.32Å; P244-S246 PolarHBondContact O-N 3.36Å; P244-S246 PolarHBondContact O-OG 3.29Å
245I92.4Very high93.1Very high98 Ų9883.4 Ų83.450%0.50341%0.414SS..PPolyproline II helixtrans-66.2117169.2-55176.5000107.8P146 Y247P146-I245 HydrophobicContact CB-CB 4.4Å; P146-I245 HydrophobicContact CB-CG1 3.92Å; P146-I245 HydrophobicContact CB-CG2 4.42Å; P146-I245 HydrophobicContact CG-CG1 3.8Å; I245-Y247 HydrophobicContact CG2-CE2 4.48Å
246S95.3Very high93.2Very high18 Ų1880.1 Ų80.113%0.12639%0.391CS..  trans-146159.9-175.250.20000111.7P146 R147 W148 K149 P244P146-S246 PolarHBondContact O-N 2.82Å; R147-S246 WeakPolarHBondContact CA-OG 3.38Å; R147-S246 VanDerWaalsContact CG-OG 3.27Å; R147-S246 WeakPolarHBondContact CG-OG 3.27Å; W148-S246 PolarHBondContact N-O 2.92Å; W148-S246 PolarHBondContact N-OG 3.49Å; K149-S246 PolarHBondContact N-O 3.36Å; P244-S246 PolarHBondContact O-N 3.36Å; P244-S246 PolarHBondContact O-OG 3.29Å
247Y96.2Very high93.3Very high133 Ų13379.7 Ų79.752%0.52239%0.385SS..BIsolated β-bridgetrans-124.4128.4-171.2-60.3-87.9000111.4K149 I245K149-Y247 HydrophobicContact CB-CD1 3.92Å; K149-Y247 HydrophobicContact CB-CE1 4.25Å; K149-Y247 HydrophobicContact CD-CE1 4.24Å; K149-Y247 CarbonylContact O-C 3.47Å; K149-Y247 VanDerWaalsContact O-CA 3.26Å; K149-Y247 WeakPolarHBondContact O-CA 3.3Å; I245-Y247 HydrophobicContact CG2-CE2 4.48Å
248A96.2Very high93.4Very high0 Ų079.5 Ų79.50%038%0.384CS..  trans-99.979.117500000110.2W148 K149 S151 N152 P153 Y156W148-A248 HydrophobicContact CB-CB 4.06Å; W148-A248 HydrophobicContact CE3-CB 4.16Å; K149-A248 PolarHBondContact O-N 3.27Å; S151-A248 PolarHBondContact N-O 3.22Å; S151-A248 VanDerWaalsContact N-O 3.13Å; N152-A248 VanDerWaalsContact C-CB 3.48Å; N152-A248 PolarHBondContact N-O 2.86Å; N152-A248 VanDerWaalsContact N-O 3.15Å; P153-A248 HydrophobicContact CB-CB 4.48Å; Y156-A248 VanDerWaalsContact CD2-CA 3.45Å; Y156-A248 HydrophobicContact CD2-CB 3.56Å; Y156-A248 HydrophobicContact CE2-CB 4.21Å; Y156-A248 HydrophobicContact CG-CB 3.89Å
249R94.2Very high93.3Very high180 Ų18081.9 Ų81.968%0.67940%0.395SS*.PPolyproline II helixtrans-72.2169.8-175.3-63.6-177.6-178174.51111.7N152 Y156N152-R249 PolarHBondContact ND2-O 3.16Å; Y156-R249 VanDerWaalsContact CE2-O 3.28Å; Y156-R249 WeakPolarHBondContact CE2-O 3.46Å
250K94.1Very high93.1Very high146 Ų14678.5 Ų78.564%0.63537%0.365SS*.PPolyproline II helixtrans-62.3129.1172.9-174.1-179.9178.7-176.60109.7Q252K250-Q252 PolarHBondContact O-NE2 3.14Å
251P95.3Very high92.8Very high8 Ų874.1 Ų74.15%0.05235%0.347CS..PPolyproline II helixtrans-61.4142.2-179.927.2-36.3000111L155 M255 F275 T278 V280L155-P251 HydrophobicContact CD1-CB 4.17Å; L155-P251 HydrophobicContact CD1-CG 4.2Å; P251-M255 HydrophobicContact CB-SD 4.34Å; P251-F275 HydrophobicContact CB-CE1 4.48Å; P251-T278 HydrophobicContact CG-CG2 3.88Å; P251-V280 HydrophobicContact CB-CG2 3.77Å
252Q95.6Very high92.7Very high78 Ų7873.6 Ų73.636%0.36435%0.346SS..  trans-121.1144.7-177.5-60.8-56.1-46.900110.3K250 Y254 M255 V280K250-Q252 PolarHBondContact O-NE2 3.14Å; Q252-Y254 VanDerWaalsContact C-N 3.26Å; Q252-Y254 HydrophobicContact CB-CD1 3.5Å; Q252-Y254 VanDerWaalsContact CB-CD1 3.5Å; Q252-Y254 HydrophobicContact CB-CE1 3.23Å; Q252-Y254 HydrophobicContact CG-CD1 4.39Å; Q252-Y254 HydrophobicContact CG-CE1 3.71Å; Q252-Y254 PolarHBondContact O-N 3.37Å; Q252-Y254 VanDerWaalsContact O-N 3.1Å; Q252-M255 HydrophobicContact CB-CG 4.37Å; Q252-M255 HydrophobicContact CB-SD 4.44Å; Q252-M255 PolarHBondContact N-SD 3.12Å; Q252-M255 VanDerWaalsContact N-SD 3.39Å; Q252-M255 VanDerWaalsContact O-CB 3.26Å; Q252-M255 WeakPolarHBondContact O-CB 3.34Å; Q252-M255 WeakPolarHBondContact O-CG 3.37Å; Q252-M255 PolarHBondContact O-N 3.2Å; Q252-V280 WeakPolarHBondContact O-CG2 3.41Å
253P93.6Very high92.7Very high75 Ų7566.2 Ų66.249%0.48731%0.311SS..G310 helixtrans-50.3-40-175.2-30.436.2000115M255 G256P253-M255 PolarHBondContact O-N 3.01Å; P253-M255 VanDerWaalsContact O-N 3.12Å; P253-G256 PolarHBondContact O-N 3.45Å
254Y93.8Very high93Very high162 Ų16264.9 Ų64.964%0.63531%0.305SS*.G310 helixtrans-61.4-21.318074.7-98.1000113.9Q252 G256 L257Q252-Y254 VanDerWaalsContact C-N 3.26Å; Q252-Y254 HydrophobicContact CB-CD1 3.5Å; Q252-Y254 VanDerWaalsContact CB-CD1 3.5Å; Q252-Y254 HydrophobicContact CB-CE1 3.23Å; Q252-Y254 HydrophobicContact CG-CD1 4.39Å; Q252-Y254 HydrophobicContact CG-CE1 3.71Å; Q252-Y254 PolarHBondContact O-N 3.37Å; Q252-Y254 VanDerWaalsContact O-N 3.1Å; Y254-G256 PolarHBondContact O-N 3.33Å; Y254-G256 VanDerWaalsContact O-N 3.12Å; Y254-L257 WeakPolarHBondContact O-CB 3.48Å; Y254-L257 PolarHBondContact O-N 2.79Å; Y254-L257 VanDerWaalsContact O-N 3.1Å
255M95.3Very high93.1Very high36 Ų3661.8 Ų61.818%0.17728%0.284CS..G310 helixtrans-65.1-13.1176.6-62.7176.664.200112.6Y156 L159 P251 Q252 P253 F275 V280Y156-M255 HydrophobicContact CE1-CE 4.48Å; L159-M255 HydrophobicContact CD1-CE 3.79Å; P251-M255 HydrophobicContact CB-SD 4.34Å; Q252-M255 HydrophobicContact CB-CG 4.37Å; Q252-M255 HydrophobicContact CB-SD 4.44Å; Q252-M255 PolarHBondContact N-SD 3.12Å; Q252-M255 VanDerWaalsContact N-SD 3.39Å; Q252-M255 VanDerWaalsContact O-CB 3.26Å; Q252-M255 WeakPolarHBondContact O-CB 3.34Å; Q252-M255 WeakPolarHBondContact O-CG 3.37Å; Q252-M255 PolarHBondContact O-N 3.2Å; P253-M255 PolarHBondContact O-N 3.01Å; P253-M255 VanDerWaalsContact O-N 3.12Å; M255-F275 HydrophobicContact CB-CE1 4.18Å; M255-F275 HydrophobicContact CB-CZ 3.78Å; M255-F275 HydrophobicContact CE-CE1 4Å; M255-F275 HydrophobicContact CE-CZ 4.09Å; M255-V280 HydrophobicContact CB-CG1 4.3Å
256G94.4Very high93Very high0 Ų058.2 Ų58.20%027%0.265CS..G310 helixtrans-87.2-5.2175.300000114.7P253 Y254 I258 V280 N281 L282 Y283P253-G256 PolarHBondContact O-N 3.45Å; Y254-G256 PolarHBondContact O-N 3.33Å; Y254-G256 VanDerWaalsContact O-N 3.12Å; G256-I258 PolarHBondContact O-N 3.33Å; G256-V280 VanDerWaalsContact N-CG1 3.31Å; G256-N281 WeakPolarHBondContact CA-O 3.47Å; G256-L282 CarbonylContact O-C 3.3Å; G256-L282 VanDerWaalsContact O-CA 3.28Å; G256-L282 WeakPolarHBondContact O-CA 3.27Å; G256-Y283 PolarHBondContact O-N 2.88Å
257L94.3Very high92.8Very high73 Ų7359 Ų5938%0.38227%0.269SS..BIsolated β-bridgetrans-64.8117.5176.2-17964.3000109.5Y254 N259 Y283 E285Y254-L257 WeakPolarHBondContact O-CB 3.48Å; Y254-L257 PolarHBondContact O-N 2.79Å; Y254-L257 VanDerWaalsContact O-N 3.1Å; L257-N259 PolarHBondContact O-N 2.83Å; L257-Y283 WeakPolarHBondContact CA-O 3.43Å; L257-Y283 HydrophobicContact CB-CE1 4.15Å; L257-Y283 HydrophobicContact CB-CE2 4.39Å; L257-Y283 HydrophobicContact CD1-CD2 4.16Å; L257-Y283 HydrophobicContact CD1-CE2 3.76Å; L257-E285 HydrophobicContact CD1-CG 4.18Å
258I93.1Very high92.7Very high8 Ų852.8 Ų52.84%0.04124%0.244CC..  trans-76.1121.1179.9-58.7169.7000109G256 W260 I268 L282 Y283 L307G256-I258 PolarHBondContact O-N 3.33Å; I258-W260 HydrophobicContact CB-CZ2 4.1Å; I258-W260 HydrophobicContact CD1-CH2 3.77Å; I258-W260 HydrophobicContact CD1-CZ2 3.77Å; I258-W260 HydrophobicContact CG2-CD2 3.54Å; I258-W260 HydrophobicContact CG2-CE3 3.72Å; I258-W260 HydrophobicContact CG2-CG 4.09Å; I258-W260 HydrophobicContact CG2-CH2 3.91Å; I258-W260 HydrophobicContact CG2-CZ2 3.76Å; I258-W260 HydrophobicContact CG2-CZ3 3.91Å; I258-I268 HydrophobicContact CD1-CG2 4.28Å; I258-I268 HydrophobicContact CG2-CD1 3.6Å; I258-I268 HydrophobicContact CG2-CG1 3.99Å; I258-L282 HydrophobicContact CD1-CB 4.16Å; I258-L282 HydrophobicContact CG1-CB 4.26Å; I258-Y283 PolarHBondContact N-O 2.95Å; I258-L307 HydrophobicContact CD1-CD1 3.98Å; I258-L307 HydrophobicContact CD1-CG 4.23Å
259N90.9Very high92.6Very high75 Ų7552.8 Ų52.840%0.40124%0.244SC..  trans-97.991.9167.5-175.1-17.2000109.6L257 Q261 E262 Q263L257-N259 PolarHBondContact O-N 2.83Å; N259-Q261 PolarHBondContact O-N 3.19Å; N259-Q261 VanDerWaalsContact O-N 3.17Å; N259-Q261 PolarHBondContact OD1-N 2.83Å; N259-Q261 VanDerWaalsContact OD1-N 3.14Å; N259-E262 HydrophobicContact CB-CB 4.34Å; N259-E262 WeakPolarHBondContact ND2-CG 3.35Å; N259-E262 PolarHBondContact O-N 2.86Å; N259-E262 PolarHBondContact OD1-N 2.92Å; N259-Q263 WeakPolarHBondContact O-CB 3.31Å; N259-Q263 WeakPolarHBondContact O-CG 3.28Å; N259-Q263 PolarHBondContact O-N 2.85Å
260W88.7Confident92.5Very high12 Ų1245.2 Ų45.25%0.04522%0.216CC..THydrogen-bonded Turntrans-60.7-25-178.1-52.3102.1000114I258 I268 T284 P365 I387 K390 L407 F464I258-W260 HydrophobicContact CB-CZ2 4.1Å; I258-W260 HydrophobicContact CD1-CH2 3.77Å; I258-W260 HydrophobicContact CD1-CZ2 3.77Å; I258-W260 HydrophobicContact CG2-CD2 3.54Å; I258-W260 HydrophobicContact CG2-CE3 3.72Å; I258-W260 HydrophobicContact CG2-CG 4.09Å; I258-W260 HydrophobicContact CG2-CH2 3.91Å; I258-W260 HydrophobicContact CG2-CZ2 3.76Å; I258-W260 HydrophobicContact CG2-CZ3 3.91Å; W260-I268 HydrophobicContact CE3-CD1 3.73Å; W260-I268 HydrophobicContact CH2-CD1 4.32Å; W260-I268 HydrophobicContact CZ3-CD1 3.48Å; W260-I268 VanDerWaalsContact CZ3-CD1 3.48Å; W260-T284 HydrophobicContact CZ2-CG2 4.21Å; W260-T284 PolarHBondContact NE1-OG1 2.77Å; W260-P365 HydrophobicContact CB-CB 3.99Å; W260-P365 WeakPolarHBondContact O-CB 3.44Å; W260-I387 HydrophobicContact CD2-CG2 4.2Å; W260-I387 HydrophobicContact CE3-CG2 3.72Å; W260-I387 HydrophobicContact CH2-CB 4.27Å; W260-I387 HydrophobicContact CH2-CD1 3.52Å; W260-I387 HydrophobicContact CH2-CG2 3.8Å; W260-I387 HydrophobicContact CZ2-CD1 4.14Å; W260-I387 HydrophobicContact CZ2-CG2 4.25Å; W260-I387 HydrophobicContact CZ3-CB 3.99Å; W260-I387 HydrophobicContact CZ3-CD1 4.1Å; W260-I387 HydrophobicContact CZ3-CG2 3.5Å; W260-I387 VanDerWaalsContact CZ3-CG2 3.5Å; W260-K390 PolarHBondContact O-N 3.1Å; W260-L407 HydrophobicContact CH2-CD2 4.18Å; W260-L407 HydrophobicContact CZ3-CD2 4.04Å; W260-F464 HydrophobicContact CB-CE1 3.53Å; W260-F464 HydrophobicContact CB-CZ 3.65Å; W260-F464 HydrophobicContact CG-CE1 4.11Å; W260-F464 HydrophobicContact CG-CZ 4.34Å
261Q86.8Confident92.6Very high62 Ų6241 Ų4129%0.2920%0.196SC..THydrogen-bonded Turntrans-74.9-29.2175.9-66.1-48.5-46.700112.1N259 K390 F464N259-Q261 PolarHBondContact O-N 3.19Å; N259-Q261 VanDerWaalsContact O-N 3.17Å; N259-Q261 PolarHBondContact OD1-N 2.83Å; N259-Q261 VanDerWaalsContact OD1-N 3.14Å; Q261-K390 WeakPolarHBondContact O-CD 3.44Å; Q261-F464 HydrophobicContact CB-CZ 4.34Å; Q261-F464 HydrophobicContact CG-CE1 4.31Å; Q261-F464 HydrophobicContact CG-CE2 3.75Å; Q261-F464 HydrophobicContact CG-CZ 3.43Å; Q261-F464 VanDerWaalsContact CG-CZ 3.43Å
262E88.8Confident92.6Very high111 Ų11143.6 Ų43.652%0.51921%0.205SC..THydrogen-bonded Turntrans-106.6-16.8-172.3-67.7-55.5155.600114.8N259 K390N259-E262 HydrophobicContact CB-CB 4.34Å; N259-E262 WeakPolarHBondContact ND2-CG 3.35Å; N259-E262 PolarHBondContact O-N 2.86Å; N259-E262 PolarHBondContact OD1-N 2.92Å; E262-K390 WeakPolarHBondContact O-CD 3.49Å; E262-K390 PolarHBondContact O-NZ 2.65Å; E262-K390 VanDerWaalsContact O-NZ 3.11Å; E262-K390 IonicContact OE2-NZ 3.89Å; E262-K390 PolarHBondContact OE2-NZ 2.93Å
263Q90.9Very high92.5Very high20 Ų2041.3 Ų41.39%0.09319%0.194CC..  trans-113.5129-176.5-60.1179.2-74.400110.7N259 D267 I268 Y271 K390N259-Q263 WeakPolarHBondContact O-CB 3.31Å; N259-Q263 WeakPolarHBondContact O-CG 3.28Å; N259-Q263 PolarHBondContact O-N 2.85Å; Q263-D267 HydrophobicContact CB-CB 4Å; Q263-I268 HydrophobicContact CB-CD1 4.47Å; Q263-I268 HydrophobicContact CB-CG1 3.99Å; Q263-Y271 VanDerWaalsContact NE2-CD2 3.27Å; Q263-K390 WeakPolarHBondContact O-CB 3.17Å; Q263-K390 PolarHBondContact O-N 3.45Å
264S92.5Very high92.6Very high3 Ų337.8 Ų37.82%0.02117%0.171CC..  trans-75.2168.2167.985.20000110.8E266 D267 I268 K390 S405S264-E266 WeakPolarHBondContact CB-OE2 3.45Å; S264-E266 PolarHBondContact O-N 3.27Å; S264-E266 PolarHBondContact OG-N 2.9Å; S264-E266 PolarHBondContact OG-OE2 2.95Å; S264-D267 PolarHBondContact N-OD2 3.4Å; S264-D267 WeakPolarHBondContact O-CB 3.24Å; S264-D267 PolarHBondContact O-N 2.84Å; S264-D267 VanDerWaalsContact O-N 3.08Å; S264-D267 PolarHBondContact OG-N 3.47Å; S264-I268 WeakPolarHBondContact O-CG1 3.46Å; S264-I268 PolarHBondContact O-N 3.26Å; S264-K390 WeakPolarHBondContact CA-O 3.38Å; S264-K390 WeakPolarHBondContact CB-O 3.49Å; S264-S405 WeakPolarHBondContact CA-OG 3.08Å; S264-S405 WeakPolarHBondContact CB-OG 3.36Å
265A92.2Very high92.7Very high0 Ų030.4 Ų30.40%014%0.142CC..Hα-helixtrans-58-37.7173.700000111.6I268 I269 L313 C389 S405 W406 L407A265-I268 PolarHBondContact O-N 3.42Å; A265-I269 WeakPolarHBondContact O-CD1 3.18Å; A265-I269 VanDerWaalsContact O-CG1 3.27Å; A265-I269 WeakPolarHBondContact O-CG1 3.34Å; A265-I269 PolarHBondContact O-N 3.21Å; A265-L313 HydrophobicContact CB-CD1 3.47Å; A265-L313 VanDerWaalsContact CB-CD1 3.47Å; A265-C389 HydrophobicContact CB-CB 4.32Å; A265-S405 PolarHBondContact N-OG 2.92Å; A265-W406 WeakPolarHBondContact CB-O 3.41Å; A265-L407 HydrophobicContact CB-CB 4.14Å; A265-L407 HydrophobicContact CB-CD1 4.03Å
266E90.4Very high92.7Very high22 Ų2234 Ų3410%0.10316%0.159CC..Hα-helixtrans-66.1-35.7174.2-58.784.716600112.9S264 R270 L313 N392S264-E266 WeakPolarHBondContact CB-OE2 3.45Å; S264-E266 PolarHBondContact O-N 3.27Å; S264-E266 PolarHBondContact OG-N 2.9Å; S264-E266 PolarHBondContact OG-OE2 2.95Å; E266-R270 VanDerWaalsContact O-CB 3.25Å; E266-R270 WeakPolarHBondContact O-CB 3.35Å; E266-R270 PolarHBondContact O-N 3.25Å; E266-L313 HydrophobicContact CG-CD1 3.85Å; E266-L313 HydrophobicContact CG-CD2 3.83Å; E266-N392 PolarHBondContact OE1-ND2 3.23Å; E266-N392 WeakPolarHBondContact OE2-CB 3.38Å; E266-N392 PolarHBondContact OE2-ND2 2.96Å
267D92.2Very high92.5Very high36 Ų3638 Ų3819%0.19320%0.2CC..Hα-helixtrans-63.1-46.2173-66.3-36.4000111Q263 S264 I269 R270 Y271Q263-D267 HydrophobicContact CB-CB 4Å; S264-D267 PolarHBondContact N-OD2 3.4Å; S264-D267 WeakPolarHBondContact O-CB 3.24Å; S264-D267 PolarHBondContact O-N 2.84Å; S264-D267 VanDerWaalsContact O-N 3.08Å; S264-D267 PolarHBondContact OG-N 3.47Å; D267-I269 PolarHBondContact O-N 3.07Å; D267-R270 PolarHBondContact O-N 3.14Å; D267-R270 IonicContact OD1-CZ 3.96Å; D267-R270 IonicContact OD1-NH1 3.61Å; D267-R270 PolarHBondContact OD1-NH1 3.29Å; D267-R270 IonicContact OD1-NH2 3.46Å; D267-R270 PolarHBondContact OD1-NH2 2.69Å; D267-Y271 WeakPolarHBondContact O-CB 3.2Å; D267-Y271 WeakPolarHBondContact O-CD1 3.46Å; D267-Y271 PolarHBondContact O-N 3.46Å
268I93.6Very high92.5Very high1 Ų136.5 Ų36.51%0.00519%0.194CC..Hα-helixtrans-62.9-43.9179.6-64167.9000110.6I258 W260 Q263 S264 A265 Y271 W272 L282 L307 L407I258-I268 HydrophobicContact CD1-CG2 4.28Å; I258-I268 HydrophobicContact CG2-CD1 3.6Å; I258-I268 HydrophobicContact CG2-CG1 3.99Å; W260-I268 HydrophobicContact CE3-CD1 3.73Å; W260-I268 HydrophobicContact CH2-CD1 4.32Å; W260-I268 HydrophobicContact CZ3-CD1 3.48Å; W260-I268 VanDerWaalsContact CZ3-CD1 3.48Å; Q263-I268 HydrophobicContact CB-CD1 4.47Å; Q263-I268 HydrophobicContact CB-CG1 3.99Å; S264-I268 WeakPolarHBondContact O-CG1 3.46Å; S264-I268 PolarHBondContact O-N 3.26Å; A265-I268 PolarHBondContact O-N 3.42Å; I268-Y271 PolarHBondContact O-N 3.37Å; I268-W272 PolarHBondContact O-N 3.32Å; I268-L282 HydrophobicContact CG2-CD1 3.85Å; I268-L282 VanDerWaalsContact O-CD1 3.3Å; I268-L282 WeakPolarHBondContact O-CD1 3.4Å; I268-L307 HydrophobicContact CG2-CD1 4.34Å; I268-L407 HydrophobicContact CB-CD1 4.47Å; I268-L407 HydrophobicContact CB-CD2 4.49Å; I268-L407 HydrophobicContact CD1-CD2 4.3Å; I268-L407 HydrophobicContact CG2-CD1 4.34Å; I268-L407 HydrophobicContact CG2-CD2 3.81Å
269I93.2Very high92.5Very high0 Ų039.6 Ų39.60%022%0.215CC..Hα-helixtrans-64-43.8176-67.7164.7000110.7M199 A265 D267 Y271 W272 H273 P311 L313 Y336 L407M199-I269 HydrophobicContact CG-CG2 4.13Å; A265-I269 WeakPolarHBondContact O-CD1 3.18Å; A265-I269 VanDerWaalsContact O-CG1 3.27Å; A265-I269 WeakPolarHBondContact O-CG1 3.34Å; A265-I269 PolarHBondContact O-N 3.21Å; D267-I269 PolarHBondContact O-N 3.07Å; I269-Y271 VanDerWaalsContact C-N 3.29Å; I269-Y271 PolarHBondContact O-N 3.04Å; I269-W272 WeakPolarHBondContact O-CB 3.07Å; I269-W272 PolarHBondContact O-N 3.01Å; I269-H273 PolarHBondContact O-CD2 3.33Å; I269-H273 PolarHBondContact O-N 3.48Å; I269-H273 VanDerWaalsContact O-N 3.11Å; I269-P311 HydrophobicContact CG1-CG 4.2Å; I269-L313 HydrophobicContact CD1-CB 3.41Å; I269-L313 VanDerWaalsContact CD1-CB 3.41Å; I269-L313 HydrophobicContact CD1-CD1 4.06Å; I269-L313 HydrophobicContact CD1-CG 4.31Å; I269-L313 VanDerWaalsContact CD1-N 3.28Å; I269-Y336 HydrophobicContact CG2-CE1 4.48Å; I269-L407 HydrophobicContact CD1-CD1 3.99Å; I269-L407 HydrophobicContact CG1-CD1 3.78Å
270R93.2Very high92.7Very high22 Ų2236.2 Ų36.28%0.08320%0.197CC..Hα-helixtrans-60.6-41.1175.7-173.5175.169.7-105.80.7111.5L158 L159 M199 E266 D267 W272 H273 A274L158-R270 WeakPolarHBondContact O-CD 3.49Å; L158-R270 WeakPolarHBondContact O-CG 3.26Å; L158-R270 PolarHBondContact O-NE 2.88Å; L159-R270 PolarHBondContact O-NE 2.93Å; L159-R270 PolarHBondContact O-NH2 3.32Å; M199-R270 HydrophobicContact SD-CB 4.2Å; M199-R270 HydrophobicContact SD-CG 4.26Å; E266-R270 VanDerWaalsContact O-CB 3.25Å; E266-R270 WeakPolarHBondContact O-CB 3.35Å; E266-R270 PolarHBondContact O-N 3.25Å; D267-R270 PolarHBondContact O-N 3.14Å; D267-R270 IonicContact OD1-CZ 3.96Å; D267-R270 IonicContact OD1-NH1 3.61Å; D267-R270 PolarHBondContact OD1-NH1 3.29Å; D267-R270 IonicContact OD1-NH2 3.46Å; D267-R270 PolarHBondContact OD1-NH2 2.69Å; R270-W272 VanDerWaalsContact C-N 3.35Å; R270-H273 PolarHBondContact O-N 2.93Å; R270-A274 VanDerWaalsContact O-CB 3.24Å; R270-A274 WeakPolarHBondContact O-CB 3.33Å; R270-A274 PolarHBondContact O-N 3.29Å
271Y95.3Very high93Very high58 Ų5838.3 Ų38.323%0.22721%0.209CC..Hα-helixtrans-64.1-41.7177-82.837.4000111L159 Q263 D267 I268 I269 H273 A274 F275L159-Y271 HydrophobicContact CB-CE1 4.41Å; L159-Y271 HydrophobicContact CD2-CD1 3.65Å; L159-Y271 HydrophobicContact CD2-CD2 4.05Å; L159-Y271 HydrophobicContact CD2-CE1 3.91Å; L159-Y271 HydrophobicContact CD2-CE2 4.27Å; L159-Y271 HydrophobicContact CD2-CG 3.73Å; L159-Y271 WeakPolarHBondContact O-CE1 3.41Å; Q263-Y271 VanDerWaalsContact NE2-CD2 3.27Å; D267-Y271 WeakPolarHBondContact O-CB 3.2Å; D267-Y271 WeakPolarHBondContact O-CD1 3.46Å; D267-Y271 PolarHBondContact O-N 3.46Å; I268-Y271 PolarHBondContact O-N 3.37Å; I269-Y271 VanDerWaalsContact C-N 3.29Å; I269-Y271 PolarHBondContact O-N 3.04Å; Y271-H273 VanDerWaalsContact C-N 3.33Å; Y271-H273 PolarHBondContact O-N 3.31Å; Y271-A274 PolarHBondContact O-N 3.48Å; Y271-F275 AromaticContact CD2-CE2 3.83Å; Y271-F275 HydrophobicContact CD2-CE2 3.83Å; Y271-F275 HydrophobicContact CG-CE2 4.21Å; Y271-F275 WeakPolarHBondContact O-CB 3.49Å; Y271-F275 WeakPolarHBondContact O-CD2 3.14Å; Y271-F275 PolarHBondContact O-N 3.48Å
272W95.1Very high93.4Very high61 Ų6135.6 Ų35.623%0.23120%0.197CC..Hα-helixtrans-54.8-49.5175.4174.9-87.5000111.2I268 I269 R270 Q276 L282 L307 E309 C310I268-W272 PolarHBondContact O-N 3.32Å; I269-W272 WeakPolarHBondContact O-CB 3.07Å; I269-W272 PolarHBondContact O-N 3.01Å; R270-W272 VanDerWaalsContact C-N 3.35Å; W272-Q276 PolarHBondContact O-N 3.27Å; W272-L282 HydrophobicContact CB-CD1 3.82Å; W272-L282 HydrophobicContact CE3-CD1 4.3Å; W272-L282 HydrophobicContact CE3-CG 4.4Å; W272-L307 HydrophobicContact CE3-CB 4.29Å; W272-L307 HydrophobicContact CZ3-CB 3.75Å; W272-E309 VanDerWaalsContact CH2-O 3.27Å; W272-E309 WeakPolarHBondContact CH2-O 3.44Å; W272-E309 VanDerWaalsContact CZ2-C 3.46Å; W272-E309 WeakPolarHBondContact CZ3-O 3.05Å; W272-C310 VanDerWaalsContact CD1-SG 3.57Å; W272-C310 VanDerWaalsContact CE2-CA 3.44Å; W272-C310 HydrophobicContact CZ2-CB 4.14Å; W272-C310 VanDerWaalsContact CZ2-N 3.3Å
273H94.5Very high93.6Very high31 Ų3132.4 Ų32.414%0.14418%0.18CC..Hα-helixtrans-70.2-38.9178.4-73.8-78000113.2M199 T201 P202 I269 R270 Y271 F275 Q276M199-H273 HydrophobicContact CB-CB 4.08Å; T201-H273 HydrophobicContact CG2-CB 4.38Å; P202-H273 WeakPolarHBondContact CD-O 3.44Å; I269-H273 PolarHBondContact O-CD2 3.33Å; I269-H273 PolarHBondContact O-N 3.48Å; I269-H273 VanDerWaalsContact O-N 3.11Å; R270-H273 PolarHBondContact O-N 2.93Å; Y271-H273 VanDerWaalsContact C-N 3.33Å; Y271-H273 PolarHBondContact O-N 3.31Å; H273-F275 VanDerWaalsContact C-N 3.33Å; H273-F275 PolarHBondContact O-N 2.8Å; H273-Q276 WeakPolarHBondContact O-CB 3.44Å; H273-Q276 PolarHBondContact O-N 3.05Å
274A95.8Very high93.6Very high0 Ų033 Ų330%019%0.185CC..Hα-helixtrans-65.2-34.117900000112.8L158 L159 P202 R270 Y271 Q276L158-A274 HydrophobicContact CB-CB 3.8Å; L159-A274 HydrophobicContact CD2-CB 3.59Å; L159-A274 HydrophobicContact CG-CB 4.07Å; P202-A274 WeakPolarHBondContact CD-O 3.47Å; P202-A274 WeakPolarHBondContact CG-O 3.39Å; R270-A274 VanDerWaalsContact O-CB 3.24Å; R270-A274 WeakPolarHBondContact O-CB 3.33Å; R270-A274 PolarHBondContact O-N 3.29Å; Y271-A274 PolarHBondContact O-N 3.48Å; A274-Q276 VanDerWaalsContact C-N 3.34Å
275F96.5Very high93.1Very high8 Ų836.3 Ų36.34%0.03520%0.201CC..THydrogen-bonded Turntrans-85.2-1.4178.5-70.5-53.7000114.4L155 L159 P251 M255 Y271 H273 G277 T278 V280 L282L155-F275 HydrophobicContact CD1-CD1 4.01Å; L155-F275 HydrophobicContact CD1-CE1 4.36Å; L155-F275 HydrophobicContact CD2-CE1 4.36Å; L159-F275 HydrophobicContact CD1-CE1 3.9Å; L159-F275 HydrophobicContact CD1-CZ 3.77Å; L159-F275 HydrophobicContact CD2-CD2 4.42Å; L159-F275 HydrophobicContact CD2-CE1 4.22Å; L159-F275 HydrophobicContact CD2-CE2 3.85Å; L159-F275 HydrophobicContact CD2-CZ 3.72Å; L159-F275 HydrophobicContact CG-CZ 4.39Å; P251-F275 HydrophobicContact CB-CE1 4.48Å; M255-F275 HydrophobicContact CB-CE1 4.18Å; M255-F275 HydrophobicContact CB-CZ 3.78Å; M255-F275 HydrophobicContact CE-CE1 4Å; M255-F275 HydrophobicContact CE-CZ 4.09Å; Y271-F275 AromaticContact CD2-CE2 3.83Å; Y271-F275 HydrophobicContact CD2-CE2 3.83Å; Y271-F275 HydrophobicContact CG-CE2 4.21Å; Y271-F275 WeakPolarHBondContact O-CB 3.49Å; Y271-F275 WeakPolarHBondContact O-CD2 3.14Å; Y271-F275 PolarHBondContact O-N 3.48Å; H273-F275 VanDerWaalsContact C-N 3.33Å; H273-F275 PolarHBondContact O-N 2.8Å; F275-G277 PolarHBondContact O-N 3.24Å; F275-T278 WeakPolarHBondContact O-CB 3.05Å; F275-T278 WeakPolarHBondContact O-CG2 3.3Å; F275-T278 PolarHBondContact O-N 3.24Å; F275-T278 PolarHBondContact O-OG1 3.41Å; F275-V280 HydrophobicContact CB-CB 4.18Å; F275-V280 HydrophobicContact CB-CG1 4.48Å; F275-V280 HydrophobicContact CD1-CB 3.63Å; F275-V280 HydrophobicContact CD1-CG1 3.82Å; F275-V280 HydrophobicContact CD1-CG2 4Å; F275-V280 HydrophobicContact CD2-CB 4.36Å; F275-V280 HydrophobicContact CD2-CG1 3.81Å; F275-V280 HydrophobicContact CE1-CB 4.07Å; F275-V280 HydrophobicContact CE1-CG1 3.92Å; F275-V280 HydrophobicContact CE1-CG2 4.12Å; F275-V280 HydrophobicContact CE2-CG1 3.9Å; F275-V280 HydrophobicContact CG-CB 3.82Å; F275-V280 HydrophobicContact CG-CG1 3.79Å; F275-V280 HydrophobicContact CZ-CG1 3.97Å; F275-L282 HydrophobicContact CD2-CD2 3.86Å; F275-L282 HydrophobicContact CE2-CD2 4.08Å
276Q93.9Very high92.4Very high112 Ų11237.7 Ų37.752%0.52321%0.208SC..THydrogen-bonded Turntrans-57.6128.8179.4-172.7172.6-3.900111.6T201 W272 H273 A274 T278T201-Q276 HydrophobicContact CG2-CB 4.44Å; W272-Q276 PolarHBondContact O-N 3.27Å; H273-Q276 WeakPolarHBondContact O-CB 3.44Å; H273-Q276 PolarHBondContact O-N 3.05Å; A274-Q276 VanDerWaalsContact C-N 3.34Å; Q276-T278 VanDerWaalsContact C-N 3.34Å
277G90.9Very high91.3Very high84 Ų8437.2 Ų37.287%0.86621%0.207SC*.THydrogen-bonded Turntrans83.83.8-177.300000114.7F275F275-G277 PolarHBondContact O-N 3.24Å
278T94.2Very high89.9Confident40 Ų4036 Ų3625%0.24520%0.2CC..SBendtrans-101.5177.6175.378.20000112.1L155 P251 F275 Q276 V280L155-T278 HydrophobicContact CD1-CG2 3.64Å; P251-T278 HydrophobicContact CG-CG2 3.88Å; F275-T278 WeakPolarHBondContact O-CB 3.05Å; F275-T278 WeakPolarHBondContact O-CG2 3.3Å; F275-T278 PolarHBondContact O-N 3.24Å; F275-T278 PolarHBondContact O-OG1 3.41Å; Q276-T278 VanDerWaalsContact C-N 3.34Å; T278-V280 PolarHBondContact OG1-N 2.81Å; T278-V280 VanDerWaalsContact OG1-N 3.14Å
279C93.1Very high88.1Confident73 Ų7338.1 Ų38.149%0.49321%0.211SC..SBendtrans-79.5-4.1171.959.80000113.8N281C279-N281 PolarHBondContact O-ND2 2.79Å
280V95.6Very high86.1Confident5 Ų541.1 Ų41.13%0.0323%0.227CC..  trans-88132-175-175.90000109.5P251 Q252 M255 G256 F275 T278P251-V280 HydrophobicContact CB-CG2 3.77Å; Q252-V280 WeakPolarHBondContact O-CG2 3.41Å; M255-V280 HydrophobicContact CB-CG1 4.3Å; G256-V280 VanDerWaalsContact N-CG1 3.31Å; F275-V280 HydrophobicContact CB-CB 4.18Å; F275-V280 HydrophobicContact CB-CG1 4.48Å; F275-V280 HydrophobicContact CD1-CB 3.63Å; F275-V280 HydrophobicContact CD1-CG1 3.82Å; F275-V280 HydrophobicContact CD1-CG2 4Å; F275-V280 HydrophobicContact CD2-CB 4.36Å; F275-V280 HydrophobicContact CD2-CG1 3.81Å; F275-V280 HydrophobicContact CE1-CB 4.07Å; F275-V280 HydrophobicContact CE1-CG1 3.92Å; F275-V280 HydrophobicContact CE1-CG2 4.12Å; F275-V280 HydrophobicContact CE2-CG1 3.9Å; F275-V280 HydrophobicContact CG-CB 3.82Å; F275-V280 HydrophobicContact CG-CG1 3.79Å; F275-V280 HydrophobicContact CZ-CG1 3.97Å; T278-V280 PolarHBondContact OG1-N 2.81Å; T278-V280 VanDerWaalsContact OG1-N 3.14Å
281N94.4Very high84Confident55 Ų5542.9 Ų42.929%0.29424%0.241SC..  trans-125.2143.3174.4-63.7-72.1000108.4G256 C279 Y283 R306G256-N281 WeakPolarHBondContact CA-O 3.47Å; C279-N281 PolarHBondContact O-ND2 2.79Å; N281-Y283 WeakPolarHBondContact O-CD1 3.49Å; N281-R306 HydrophobicContact CB-CG 4.03Å; N281-R306 VanDerWaalsContact ND2-CZ 3.29Å; N281-R306 PolarHBondContact ND2-NH1 3.27Å; N281-R306 PolarHBondContact ND2-NH2 2.83Å; N281-R306 PolarHBondContact OD1-NE 3.32Å; N281-R306 PolarHBondContact OD1-NH2 3.26Å
282L95.1Very high81.5Confident6 Ų644.5 Ų44.53%0.03126%0.257CS..  trans-75.5129.7177.7-59.8-169.6000110.5G256 I258 I268 W272 F275 R306 L307G256-L282 CarbonylContact O-C 3.3Å; G256-L282 VanDerWaalsContact O-CA 3.28Å; G256-L282 WeakPolarHBondContact O-CA 3.27Å; I258-L282 HydrophobicContact CD1-CB 4.16Å; I258-L282 HydrophobicContact CG1-CB 4.26Å; I268-L282 HydrophobicContact CG2-CD1 3.85Å; I268-L282 VanDerWaalsContact O-CD1 3.3Å; I268-L282 WeakPolarHBondContact O-CD1 3.4Å; W272-L282 HydrophobicContact CB-CD1 3.82Å; W272-L282 HydrophobicContact CE3-CD1 4.3Å; W272-L282 HydrophobicContact CE3-CG 4.4Å; F275-L282 HydrophobicContact CD2-CD2 3.86Å; F275-L282 HydrophobicContact CE2-CD2 4.08Å; L282-R306 WeakPolarHBondContact O-CA 3.4Å; L282-L307 HydrophobicContact CB-CB 4.5Å; L282-L307 HydrophobicContact CB-CD1 3.89Å; L282-L307 HydrophobicContact CB-CG 4.2Å; L282-L307 HydrophobicContact CD1-CD1 4.24Å; L282-L307 PolarHBondContact O-N 2.9Å
283Y92.7Very high78.8Confident43 Ų4348.8 Ų48.817%0.16928%0.279CS..EExtended strand (participates in β ladder)trans-148.4159-178.872.5-78.6000111.9G256 L257 I258 N281 E285 N304 F305G256-Y283 PolarHBondContact O-N 2.88Å; L257-Y283 WeakPolarHBondContact CA-O 3.43Å; L257-Y283 HydrophobicContact CB-CE1 4.15Å; L257-Y283 HydrophobicContact CB-CE2 4.39Å; L257-Y283 HydrophobicContact CD1-CD2 4.16Å; L257-Y283 HydrophobicContact CD1-CE2 3.76Å; I258-Y283 PolarHBondContact N-O 2.95Å; N281-Y283 WeakPolarHBondContact O-CD1 3.49Å; Y283-E285 HydrophobicContact CD2-CG 4.1Å; Y283-E285 HydrophobicContact CE2-CG 3.84Å; Y283-E285 WeakPolarHBondContact CE2-OE1 3.3Å; Y283-N304 VanDerWaalsContact CD2-OD1 3.31Å; Y283-N304 WeakPolarHBondContact CD2-OD1 3.38Å; Y283-N304 WeakPolarHBondContact CE2-OD1 3.27Å; Y283-F305 CarbonylContact C-O 3.5Å; Y283-F305 WeakPolarHBondContact CA-O 3.49Å; Y283-F305 WeakPolarHBondContact CB-O 3.28Å
284T90.2Very high76.1Confident32 Ų3256.7 Ų56.720%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-125.6151.8168-169.20000108.9W260 F305W260-T284 HydrophobicContact CZ2-CG2 4.21Å; W260-T284 PolarHBondContact NE1-OG1 2.77Å; T284-F305 HydrophobicContact CG2-CB 3.78Å; T284-F305 PolarHBondContact N-O 2.84Å; T284-F305 PolarHBondContact O-N 3.04Å
285E82.6Confident73.3Confident74 Ų7465.3 Ų65.335%0.34636%0.356SS..EExtended strand (participates in β ladder)trans-104.4141.8178.6-71.9173.4168.900109.6L257 Y283 V302L257-E285 HydrophobicContact CD1-CG 4.18Å; Y283-E285 HydrophobicContact CD2-CG 4.1Å; Y283-E285 HydrophobicContact CE2-CG 3.84Å; Y283-E285 WeakPolarHBondContact CE2-OE1 3.3Å; E285-V302 HydrophobicContact CB-CG1 3.73Å; E285-V302 HydrophobicContact CG-CG1 3.86Å
286L77.1Confident70.6Confident29 Ų2973.4 Ų73.415%0.15239%0.392CS..EExtended strand (participates in β ladder)trans-120.3110.1171.9-176.868.5000108.8L288 A303 F305 F436 V454L286-L288 HydrophobicContact CD2-CD2 4.35Å; L286-L288 HydrophobicContact CG-CD2 4.42Å; L286-A303 HydrophobicContact CB-CB 4.37Å; L286-A303 PolarHBondContact N-O 3.07Å; L286-A303 PolarHBondContact O-N 3.12Å; L286-F305 HydrophobicContact CB-CD2 4.17Å; L286-F305 HydrophobicContact CB-CE2 3.9Å; L286-F305 HydrophobicContact CD2-CE2 3.93Å; L286-F305 HydrophobicContact CD2-CZ 4.31Å; L286-F436 HydrophobicContact CD2-CE1 4.49Å; L286-F436 HydrophobicContact CD2-CE2 3.2Å; L286-F436 HydrophobicContact CD2-CZ 3.21Å; L286-V454 HydrophobicContact CD1-CG1 4.33Å; L286-V454 HydrophobicContact CD1-CG2 3.61Å
287C67.6Low68.1Low12 Ų1276.8 Ų76.88%0.08141%0.407CS..EExtended strand (participates in β ladder)trans-77.7123176.1-1750000110V455C287-V455 PolarHBondContact SG-O 3.44Å
288L62.8Low66.1Low9 Ų978 Ų785%0.04739%0.394CS..EExtended strand (participates in β ladder)trans-102.6104.8171.7-53.8173.9000107.6L286 L301 P417 F436 L443 V452L286-L288 HydrophobicContact CD2-CD2 4.35Å; L286-L288 HydrophobicContact CG-CD2 4.42Å; L288-L301 WeakPolarHBondContact CA-O 2.91Å; L288-L301 HydrophobicContact CB-CB 4.22Å; L288-L301 VanDerWaalsContact CB-O 3.27Å; L288-L301 WeakPolarHBondContact CB-O 3.03Å; L288-L301 PolarHBondContact N-O 3.2Å; L288-L301 PolarHBondContact O-N 3.39Å; L288-L301 VanDerWaalsContact O-N 3.09Å; L288-P417 HydrophobicContact CD1-CG 3.95Å; L288-F436 HydrophobicContact CD2-CZ 4.31Å; L288-L443 HydrophobicContact CD1-CD1 4.04Å; L288-V452 HydrophobicContact CD2-CG1 4.23Å
289L55.5Low64.1Low46 Ų4682.2 Ų82.224%0.24142%0.415CS..  trans-79.2128.8173.9-68.2177.6000110.8S453 V455L289-S453 WeakPolarHBondContact CB-O 3.35Å; L289-S453 WeakPolarHBondContact CD1-O 3.41Å; L289-S453 WeakPolarHBondContact CD1-OG 3.25Å; L289-S453 WeakPolarHBondContact CG-O 3.46Å; L289-V455 HydrophobicContact CD1-CB 3.78Å; L289-V455 HydrophobicContact CD1-CG2 3.65Å
290N51.1Low62.5Low63 Ų6381 Ų8134%0.33741%0.407SS..  trans-84.5113.2167.5-166.75.6000108.3V292N290-V292 PolarHBondContact O-N 3.29Å
291T49.1Very low61.3Low59 Ų5982.7 Ų82.736%0.36242%0.416SS..THydrogen-bonded Turntrans-86.311.8-173.933.20000113.6K451T291-K451 HydrophobicContact CG2-CB 3.86Å; T291-K451 WeakPolarHBondContact OG1-CB 3.27Å; T291-K451 PolarHBondContact OG1-N 3.27Å
292V44.3Very low60.3Low93 Ų9382.4 Ų82.456%0.56442%0.416SS*.THydrogen-bonded Turntrans-100.4-3.2-169.1-172.60000114.2N290N290-V292 PolarHBondContact O-N 3.29Å
293Q38.2Very low59.6Low150 Ų15082.1 Ų82.170%0.70142%0.415SS*.  trans-142.9102.6174.2-71-175.1-24.400111.2E295Q293-E295 PolarHBondContact O-N 2.87Å
294E36.6Very low59.1Low198 Ų19882.5 Ų82.593%0.92542%0.419SS*.SBendtrans-71.8-0.5178.5-85.8-177155.200114.7
295E37.6Very low59.1Low181 Ų18181.8 Ų81.885%0.84641%0.414SS*.SBendtrans-140.67.1-165.8-71-167.5154.800119Q293Q293-E295 PolarHBondContact O-N 2.87Å
296K39.5Very low59.6Low178 Ų17882.9 Ų82.977%0.77442%0.415SS*.SBendtrans-144.1112.1173.8-70.9-171.6178.8176.10113.8
297E42.9Very low60.3Low183 Ų18381.7 Ų81.786%0.85541%0.408SS*.  trans47.9113.2163.4-71.1179.7157.400117.9N299E297-N299 VanDerWaalsContact C-N 3.34Å; E297-N299 PolarHBondContact O-N 3.08Å
298N47.6Very low61.3Low110 Ų11082.9 Ų82.959%0.58842%0.417SS*.  trans-24.174.5166.6-74.6-6.2000117.5S300 E457N298-S300 PolarHBondContact O-N 3.23Å; N298-E457 PolarHBondContact ND2-OE1 3.11Å; N298-E457 PolarHBondContact ND2-OE2 3.35Å; N298-E457 PolarHBondContact OD1-OE1 3.21Å; N298-E457 VanDerWaalsContact OD1-OE1 3.13Å
299N52.5Low62.6Low128 Ų12885.9 Ų85.968%0.68443%0.431SS*.  trans-90.953.6165.6-82-30.7000110.4E297 L301E297-N299 VanDerWaalsContact C-N 3.34Å; E297-N299 PolarHBondContact O-N 3.08Å; N299-L301 PolarHBondContact O-N 2.9Å
300S59.8Low64.2Low46 Ų4686.2 Ų86.232%0.32244%0.436SS..  trans-69.7117.7168.555.60000108.9N298N298-S300 PolarHBondContact O-N 3.23Å
301L69.6Low66.2Low41 Ų4183.2 Ų83.222%0.21542%0.42CS..EExtended strand (participates in β ladder)trans-89.5114.2-179.7-68.2-178.4000108.8L288 N299 P417 L443L288-L301 WeakPolarHBondContact CA-O 2.91Å; L288-L301 HydrophobicContact CB-CB 4.22Å; L288-L301 VanDerWaalsContact CB-O 3.27Å; L288-L301 WeakPolarHBondContact CB-O 3.03Å; L288-L301 PolarHBondContact N-O 3.2Å; L288-L301 PolarHBondContact O-N 3.39Å; L288-L301 VanDerWaalsContact O-N 3.09Å; N299-L301 PolarHBondContact O-N 2.9Å; L301-P417 HydrophobicContact CB-CB 3.71Å; L301-P417 HydrophobicContact CB-CG 3.68Å; L301-P417 HydrophobicContact CD1-CB 4.5Å; L301-P417 HydrophobicContact CD1-CG 4.46Å; L301-P417 HydrophobicContact CD2-CB 4.04Å; L301-P417 HydrophobicContact CG-CB 4.29Å; L301-L443 HydrophobicContact CD1-CD1 4.34Å; L301-L443 HydrophobicContact CD1-CD2 3.93Å
302V74.3Confident68.3Low50 Ų5081.3 Ų81.330%0.30341%0.407SS..EExtended strand (participates in β ladder)trans-98.1119.9-177.2-177.30000111E285E285-V302 HydrophobicContact CB-CG1 3.73Å; E285-V302 HydrophobicContact CG-CG1 3.86Å
303A79.1Confident70.5Confident0 Ų077.1 Ų77.10%038%0.382CS..EExtended strand (participates in β ladder)trans-88.6132.4166.400000110L286 F305 K415 W416L286-A303 HydrophobicContact CB-CB 4.37Å; L286-A303 PolarHBondContact N-O 3.07Å; L286-A303 PolarHBondContact O-N 3.12Å; A303-F305 HydrophobicContact CB-CD2 4.39Å; A303-F305 HydrophobicContact CB-CE2 3.78Å; A303-K415 WeakPolarHBondContact CA-O 3.35Å; A303-W416 HydrophobicContact CB-CE3 3.63Å; A303-W416 HydrophobicContact CB-CZ3 3.87Å
304N84.2Confident73Confident50 Ų5070.2 Ų70.227%0.26735%0.35SS..EExtended strand (participates in β ladder)trans-103121.8-179.8-88.7-87.1000110.5Y283 V414 K415Y283-N304 VanDerWaalsContact CD2-OD1 3.31Å; Y283-N304 WeakPolarHBondContact CD2-OD1 3.38Å; Y283-N304 WeakPolarHBondContact CE2-OD1 3.27Å; N304-V414 CarbonylContact O-C 3.3Å; N304-V414 WeakPolarHBondContact O-CA 3.09Å; N304-K415 HydrophobicContact CB-CB 4.34Å; N304-K415 PolarHBondContact N-O 2.87Å; N304-K415 PolarHBondContact O-N 3.15Å
305F89.9Confident75.2Confident18 Ų1861.5 Ų61.58%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-109.298.9178.8-74-106.6000109.3Y283 T284 L286 A303 F412 V414 W416 L431 F436Y283-F305 CarbonylContact C-O 3.5Å; Y283-F305 WeakPolarHBondContact CA-O 3.49Å; Y283-F305 WeakPolarHBondContact CB-O 3.28Å; T284-F305 HydrophobicContact CG2-CB 3.78Å; T284-F305 PolarHBondContact N-O 2.84Å; T284-F305 PolarHBondContact O-N 3.04Å; L286-F305 HydrophobicContact CB-CD2 4.17Å; L286-F305 HydrophobicContact CB-CE2 3.9Å; L286-F305 HydrophobicContact CD2-CE2 3.93Å; L286-F305 HydrophobicContact CD2-CZ 4.31Å; A303-F305 HydrophobicContact CB-CD2 4.39Å; A303-F305 HydrophobicContact CB-CE2 3.78Å; F305-F412 HydrophobicContact CB-CD1 4.2Å; F305-F412 HydrophobicContact CD1-CB 4.17Å; F305-F412 HydrophobicContact CD1-CD1 4.4Å; F305-F412 HydrophobicContact CD1-CG 4.24Å; F305-V414 HydrophobicContact CD1-CB 4.46Å; F305-V414 HydrophobicContact CD1-CG1 4.26Å; F305-V414 HydrophobicContact CD1-CG2 3.43Å; F305-V414 VanDerWaalsContact CD1-CG2 3.43Å; F305-V414 HydrophobicContact CD2-CG1 4.32Å; F305-V414 HydrophobicContact CE1-CB 4.4Å; F305-V414 HydrophobicContact CE1-CG1 3.93Å; F305-V414 HydrophobicContact CE1-CG2 3.52Å; F305-V414 HydrophobicContact CE2-CG1 3.99Å; F305-V414 HydrophobicContact CG-CG1 4.43Å; F305-V414 HydrophobicContact CG-CG2 4.11Å; F305-V414 HydrophobicContact CZ-CG1 3.77Å; F305-V414 HydrophobicContact CZ-CG2 4.24Å; F305-W416 HydrophobicContact CZ-CH2 4.06Å; F305-W416 HydrophobicContact CZ-CZ2 4.44Å; F305-W416 HydrophobicContact CZ-CZ3 4.44Å; F305-L431 HydrophobicContact CE1-CD2 4.2Å; F305-F436 HydrophobicContact CZ-CD2 4.15Å; F305-F436 AromaticContact CZ-CE2 3.91Å; F305-F436 HydrophobicContact CZ-CE2 3.91Å
306R91.8Very high77.1Confident97 Ų9756.2 Ų56.237%0.36629%0.286SS..EExtended strand (participates in β ladder)trans-90.1137.4176.2171.7177166.4-171.2-0.8110.2N281 L282 S308 F412 L413N281-R306 HydrophobicContact CB-CG 4.03Å; N281-R306 VanDerWaalsContact ND2-CZ 3.29Å; N281-R306 PolarHBondContact ND2-NH1 3.27Å; N281-R306 PolarHBondContact ND2-NH2 2.83Å; N281-R306 PolarHBondContact OD1-NE 3.32Å; N281-R306 PolarHBondContact OD1-NH2 3.26Å; L282-R306 WeakPolarHBondContact O-CA 3.4Å; R306-S308 PolarHBondContact O-N 3.49Å; R306-F412 CarbonylContact O-C 3.52Å; R306-F412 VanDerWaalsContact O-CA 3.28Å; R306-F412 WeakPolarHBondContact O-CA 3.44Å; R306-L413 HydrophobicContact CB-CB 4.31Å; R306-L413 PolarHBondContact N-O 2.76Å; R306-L413 PolarHBondContact O-N 2.9Å
307L92.4Very high78.5Confident3 Ų351.2 Ų51.22%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-64.8121.9169.1-58.5-173.6000109.1I258 I268 W272 L282 P311 V409 F412I258-L307 HydrophobicContact CD1-CD1 3.98Å; I258-L307 HydrophobicContact CD1-CG 4.23Å; I268-L307 HydrophobicContact CG2-CD1 4.34Å; W272-L307 HydrophobicContact CE3-CB 4.29Å; W272-L307 HydrophobicContact CZ3-CB 3.75Å; L282-L307 HydrophobicContact CB-CB 4.5Å; L282-L307 HydrophobicContact CB-CD1 3.89Å; L282-L307 HydrophobicContact CB-CG 4.2Å; L282-L307 HydrophobicContact CD1-CD1 4.24Å; L282-L307 PolarHBondContact O-N 2.9Å; L307-P311 HydrophobicContact CD1-CB 4.23Å; L307-P311 HydrophobicContact CD1-CG 3.93Å; L307-V409 HydrophobicContact CD2-CG1 3.8Å; L307-V409 HydrophobicContact CD2-CG2 4.01Å; L307-F412 HydrophobicContact CD2-CD1 3.95Å; L307-F412 HydrophobicContact CD2-CE1 3.69Å
308S88.8Confident79.1Confident37 Ų3744.5 Ų44.526%0.25925%0.247SC..  trans-91.3-23.8-177.833.10000113.9R306 S411 F412 H425R306-S308 PolarHBondContact O-N 3.49Å; S308-S411 WeakPolarHBondContact OG-CB 3.29Å; S308-S411 PolarHBondContact OG-O 2.96Å; S308-S411 PolarHBondContact OG-OG 3.22Å; S308-F412 WeakPolarHBondContact OG-CA 3.45Å; S308-F412 PolarHBondContact OG-N 2.94Å; S308-H425 PolarHBondContact OG-NE2 2.92Å
309E89.7Confident78.6Confident73 Ų7349.9 Ų49.934%0.34126%0.259SS..SBendtrans-131.2165.6178.9-63.3-174.6-154.100109.9W272 P311 K410W272-E309 VanDerWaalsContact CH2-O 3.27Å; W272-E309 WeakPolarHBondContact CH2-O 3.44Å; W272-E309 VanDerWaalsContact CZ2-C 3.46Å; W272-E309 WeakPolarHBondContact CZ3-O 3.05Å; E309-P311 WeakPolarHBondContact O-CD 3.41Å; E309-P311 VanDerWaalsContact O-N 3.14Å; E309-K410 VanDerWaalsContact CD-NZ 3.26Å; E309-K410 IonicContact OE1-NZ 3.77Å; E309-K410 PolarHBondContact OE1-NZ 3.33Å; E309-K410 WeakPolarHBondContact OE2-CD 3.22Å; E309-K410 IonicContact OE2-NZ 2.73Å; E309-K410 PolarHBondContact OE2-NZ 3.43Å
310C89.9Confident77.5Confident52 Ų5248.1 Ų48.135%0.35126%0.262SS..  trans-58.7118.6177.3-173.50000109.3W272W272-C310 VanDerWaalsContact CD1-SG 3.57Å; W272-C310 VanDerWaalsContact CE2-CA 3.44Å; W272-C310 HydrophobicContact CZ2-CB 4.14Å; W272-C310 VanDerWaalsContact CZ2-N 3.3Å
311P92.7Very high75.9Confident1 Ų150.1 Ų50.11%0.00628%0.276CS..  trans-68154174.232.6-36.5000109.6I269 L307 E309 L407 V409I269-P311 HydrophobicContact CG1-CG 4.2Å; L307-P311 HydrophobicContact CD1-CB 4.23Å; L307-P311 HydrophobicContact CD1-CG 3.93Å; E309-P311 WeakPolarHBondContact O-CD 3.41Å; E309-P311 VanDerWaalsContact O-N 3.14Å; P311-L407 HydrophobicContact CB-CD1 3.66Å; P311-L407 HydrophobicContact CB-CD2 3.83Å; P311-L407 HydrophobicContact CB-CG 3.74Å; P311-L407 HydrophobicContact CG-CD1 4.16Å; P311-L407 HydrophobicContact CG-CD2 4.45Å; P311-V409 HydrophobicContact CB-CG2 4.29Å
312L92.4Very high73.8Confident18 Ų1855.2 Ų55.29%0.09430%0.303CS..EExtended strand (participates in β ladder)trans-112144-177.4-50.1176.8000110.1Y340 I344 L348 Y384 A408L312-Y340 WeakPolarHBondContact CA-OH 3.21Å; L312-Y340 HydrophobicContact CB-CE2 3.78Å; L312-Y340 HydrophobicContact CD2-CD1 3.88Å; L312-Y340 HydrophobicContact CD2-CE1 3.45Å; L312-Y340 VanDerWaalsContact CD2-CE1 3.45Å; L312-Y340 HydrophobicContact CD2-CE2 4.14Å; L312-Y340 HydrophobicContact CD2-CG 4.42Å; L312-Y340 HydrophobicContact CG-CE2 4.41Å; L312-I344 HydrophobicContact CD1-CG2 3.6Å; L312-L348 HydrophobicContact CB-CD1 4.21Å; L312-L348 HydrophobicContact CD1-CD1 4.27Å; L312-Y384 HydrophobicContact CD1-CD1 4.48Å; L312-Y384 HydrophobicContact CD1-CE1 3.65Å; L312-A408 HydrophobicContact CB-CB 4.21Å; L312-A408 PolarHBondContact N-O 3.42Å; L312-A408 PolarHBondContact O-N 3.2Å
313L91.4Very high71.5Confident5 Ų558.6 Ų58.63%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-79.9129.4172.6-171.367.9000108.6A265 E266 I269 P315 Y336 P338 Y340A265-L313 HydrophobicContact CB-CD1 3.47Å; A265-L313 VanDerWaalsContact CB-CD1 3.47Å; E266-L313 HydrophobicContact CG-CD1 3.85Å; E266-L313 HydrophobicContact CG-CD2 3.83Å; I269-L313 HydrophobicContact CD1-CB 3.41Å; I269-L313 VanDerWaalsContact CD1-CB 3.41Å; I269-L313 HydrophobicContact CD1-CD1 4.06Å; I269-L313 HydrophobicContact CD1-CG 4.31Å; I269-L313 VanDerWaalsContact CD1-N 3.28Å; L313-P315 WeakPolarHBondContact O-CD 3.37Å; L313-Y336 HydrophobicContact CB-CE1 4.31Å; L313-Y336 HydrophobicContact CD2-CD1 3.75Å; L313-Y336 HydrophobicContact CD2-CE1 4.2Å; L313-P338 HydrophobicContact CB-CG 4.15Å; L313-Y340 PolarHBondContact N-OH 3.36Å
314V89.8Confident69.2Low6 Ų666.1 Ų66.14%0.03636%0.36CS..PPolyproline II helixtrans-77.3117.9164.3-178.80000107.4L348 L355 F386 W406 A408V314-L348 HydrophobicContact CG2-CD2 4.19Å; V314-L355 HydrophobicContact CG1-CD1 4.41Å; V314-L355 HydrophobicContact CG2-CD1 4.36Å; V314-F386 HydrophobicContact CG2-CD1 3.68Å; V314-F386 HydrophobicContact CG2-CE1 3.86Å; V314-W406 HydrophobicContact CB-CB 3.67Å; V314-W406 HydrophobicContact CG1-CB 4.3Å; V314-W406 HydrophobicContact CG2-CB 3.71Å; V314-W406 PolarHBondContact N-O 3.22Å; V314-A408 HydrophobicContact CG2-CB 4.16Å
315P84Confident66.6Low14 Ų1470 Ų709%0.09138%0.381CS..PPolyproline II helixtrans-64.7152.3-177.828.2-34.1000110.4L313 I317 M345 S352L313-P315 WeakPolarHBondContact O-CD 3.37Å; P315-I317 PolarHBondContact O-N 3.17Å; P315-M345 HydrophobicContact CG-CE 4.33Å; P315-S352 WeakPolarHBondContact O-CB 3.25Å; P315-S352 PolarHBondContact O-OG 2.75Å
316H76.7Confident63.8Low70 Ų7073 Ų7332%0.32442%0.417SS..  trans-88.598.6168.2-165.7-63.5000108.6G318 H356 I398H316-G318 PolarHBondContact O-N 3.41Å; H316-H356 AromaticContact CD2-CD2 3.47Å; H316-H356 PolarHBondContact CD2-CD2 2.76Å; H316-H356 VanDerWaalsContact CD2-CD2 3.47Å; H316-H356 AromaticContact CD2-NE2 3.47Å; H316-H356 PolarHBondContact CD2-NE2 3.47Å; H316-H356 AromaticContact NE2-CD2 3.72Å; H316-I398 HydrophobicContact CB-CD1 4.33Å
317I69.3Low60.9Low73 Ų7375.9 Ų75.937%0.37443%0.434SS..  trans-75.396.2173.1-58.2177.4000106.7P315 R319 N349 S352 I353P315-I317 PolarHBondContact O-N 3.17Å; I317-R319 PolarHBondContact O-N 3.02Å; I317-N349 HydrophobicContact CD1-CB 3.7Å; I317-N349 WeakPolarHBondContact CD1-O 3.27Å; I317-S352 PolarHBondContact N-OG 2.67Å; I317-I353 HydrophobicContact CD1-CG1 4.48Å
318G55.2Low57.9Low42 Ų4283.6 Ų83.643%0.43348%0.475SS..  trans-57.1123.6163.500000107.2H316 A320H316-G318 PolarHBondContact O-N 3.41Å; G318-A320 VanDerWaalsContact C-N 3.33Å; G318-A320 PolarHBondContact O-N 3.2Å
319R36.4Very low55.3Low224 Ų22487 Ų8785%0.84549%0.491SS*.  trans-51111.1160.5-79.6-176.4177.6174.4-0.1104.5I317 S321I317-R319 PolarHBondContact O-N 3.02Å; R319-S321 VanDerWaalsContact C-N 3.25Å; R319-S321 PolarHBondContact O-N 2.91Å
320A29.5Very low52.7Low90 Ų9087.8 Ų87.874%0.74451%0.51SS*.  trans-55.7100.3174.900000106G318 N322G318-A320 VanDerWaalsContact C-N 3.33Å; G318-A320 PolarHBondContact O-N 3.2Å; A320-N322 PolarHBondContact O-N 3.32Å
321S26.4Very low50.3Low88 Ų8891.7 Ų91.762%0.61552%0.523SS*.  trans-61.4113.4161.8-171.90000103.4R319 N323R319-S321 VanDerWaalsContact C-N 3.25Å; R319-S321 PolarHBondContact O-N 2.91Å; S321-N323 PolarHBondContact O-N 3.08Å; S321-N323 PolarHBondContact OG-OD1 3.02Å
322N25.1Very low48.1Very low149 Ų14995 Ų9580%0.79754%0.542SS*.  trans-58.475.3162.7-81.7-22000108.1A320A320-N322 PolarHBondContact O-N 3.32Å
323N27.3Very low45.5Very low121 Ų12196.2 Ų96.265%0.64756%0.555SS**  trans-100.5101.1165.8-77.15.2000105.8S321 N325S321-N323 PolarHBondContact O-N 3.08Å; S321-N323 PolarHBondContact OG-OD1 3.02Å; N323-N325 PolarHBondContact O-N 3.23Å
324N30.3Very low43.6Very low158 Ų158100.6 Ų100.685%0.84558%0.579SS**  trans-62.925.4174.8-77.8-24.1000114.2
325N30.8Very low42Very low131 Ų131102.6 Ų102.670%0.70159%0.589SS**  trans-107.7100.7179.7-71.1-7.5000108.5N323 Q327N323-N325 PolarHBondContact O-N 3.23Å; N325-Q327 PolarHBondContact O-N 2.73Å
326G30.7Very low41.1Very low81 Ų81103.3 Ų103.384%0.83559%0.59SS**  trans-65.747.9-176.200000116.2N328G326-N328 PolarHBondContact O-N 3.25Å
327Q30.3Very low40.4Very low157 Ų157102.9 Ų102.973%0.73459%0.594SS**  trans-92.294.6168.4-82.3168.6-35.700109.2N325 N329N325-Q327 PolarHBondContact O-N 2.73Å; Q327-N329 VanDerWaalsContact C-N 3.31Å; Q327-N329 PolarHBondContact O-N 2.88Å
328N29.3Very low40.2Very low165 Ų16599.6 Ų99.688%0.88258%0.577SS**  trans-62.791.7166.7-76-26.8000109.1G326 A330G326-N328 PolarHBondContact O-N 3.25Å; N328-A330 PolarHBondContact O-N 3.4Å
329N34Very low41Very low109 Ų109103.6 Ų103.658%0.58359%0.589SS**  trans-63.2109.3172.2-75.5-15000109Q327 E331 V332Q327-N329 VanDerWaalsContact C-N 3.31Å; Q327-N329 PolarHBondContact O-N 2.88Å; N329-E331 PolarHBondContact O-N 3.21Å; N329-V332 HydrophobicContact CB-CG2 4.27Å; N329-V332 PolarHBondContact O-N 3.13Å; N329-V332 VanDerWaalsContact O-N 3.15Å
330A36.4Very low43Very low89 Ų8994.7 Ų94.774%0.73656%0.556SS**G310 helixtrans-56.4-16.617600000113.2N328 V332 A333N328-A330 PolarHBondContact O-N 3.4Å; A330-V332 VanDerWaalsContact C-N 3.34Å; A330-V332 PolarHBondContact O-N 3.11Å; A330-A333 VanDerWaalsContact O-CB 3.29Å; A330-A333 WeakPolarHBondContact O-CB 3.17Å; A330-A333 PolarHBondContact O-N 2.71Å
331E39.2Very low45.5Very low135 Ų13592.8 Ų92.863%0.63154%0.544SS*.G310 helixtrans-71-21.1177.7-66.2-172.7157.200114.5N329 A333 P396N329-E331 PolarHBondContact O-N 3.21Å; E331-A333 PolarHBondContact O-N 3.19Å; E331-P396 HydrophobicContact CB-CG 4.31Å
332V45Very low48Very low69 Ų6993.1 Ų93.142%0.41855%0.547SS..G310 helixtrans-75.6-12.2176.9-170.80000111.3N329 A330 D334 I335 I397N329-V332 HydrophobicContact CB-CG2 4.27Å; N329-V332 PolarHBondContact O-N 3.13Å; N329-V332 VanDerWaalsContact O-N 3.15Å; A330-V332 VanDerWaalsContact C-N 3.34Å; A330-V332 PolarHBondContact O-N 3.11Å; V332-D334 VanDerWaalsContact C-N 3.29Å; V332-D334 PolarHBondContact O-N 3.48Å; V332-I335 HydrophobicContact CG1-CD1 4.15Å; V332-I397 HydrophobicContact CG2-CD1 4.09Å
333A39.2Very low50.8Low44 Ų4492.5 Ų92.536%0.36454%0.537SS..G310 helixtrans-68.7-21.5-17200000114.6K196 A330 E331K196-A333 WeakPolarHBondContact CE-O 3.04Å; A330-A333 VanDerWaalsContact O-CB 3.29Å; A330-A333 WeakPolarHBondContact O-CB 3.17Å; A330-A333 PolarHBondContact O-N 2.71Å; E331-A333 PolarHBondContact O-N 3.19Å
334D50.8Low53.6Low97 Ų9789.4 Ų89.452%0.51952%0.52SS..G310 helixtrans-99.93.3-173.1-75.3-24.8000114.2R191 C194 V332R191-D334 IonicContact NH2-OD2 3.63Å; C194-D334 VanDerWaalsContact CB-OD1 3.25Å; C194-D334 WeakPolarHBondContact CB-OD1 3.2Å; C194-D334 PolarHBondContact SG-OD1 3.4Å; V332-D334 VanDerWaalsContact C-N 3.29Å; V332-D334 PolarHBondContact O-N 3.48Å
335I57.1Low56.2Low48 Ų4883.2 Ų83.225%0.24649%0.486CS..  trans-77.2126.8-179.2-56.8174.5000109.9V332 C337 S395V332-I335 HydrophobicContact CG1-CD1 4.15Å; I335-C337 PolarHBondContact O-N 3.28Å; I335-S395 WeakPolarHBondContact CD1-OG 3.42Å
336Y64.4Low58.7Low29 Ų2981.3 Ų81.311%0.11448%0.476CS..  trans-67.3112.1171.7177.7-106.8000110K196 N197 M199 I269 L313 P338K196-Y336 CarbonylContact O-C 3.57Å; K196-Y336 VanDerWaalsContact O-C 3.3Å; K196-Y336 WeakPolarHBondContact O-CA 3.26Å; K196-Y336 WeakPolarHBondContact O-CD2 3.38Å; N197-Y336 VanDerWaalsContact C-CE2 3.43Å; M199-Y336 HydrophobicContact CE-CD1 3.91Å; M199-Y336 HydrophobicContact CE-CD2 3.68Å; M199-Y336 HydrophobicContact CE-CE1 4.42Å; M199-Y336 HydrophobicContact CE-CE2 4.2Å; M199-Y336 HydrophobicContact CE-CG 3.54Å; M199-Y336 HydrophobicContact CG-CD2 4.37Å; M199-Y336 HydrophobicContact CG-CE2 4Å; I269-Y336 HydrophobicContact CG2-CE1 4.48Å; L313-Y336 HydrophobicContact CB-CE1 4.31Å; L313-Y336 HydrophobicContact CD2-CD1 3.75Å; L313-Y336 HydrophobicContact CD2-CE1 4.2Å; Y336-P338 HydrophobicContact CE1-CB 4.08Å; Y336-P338 HydrophobicContact CE1-CG 4.36Å
337C62Low61.3Low62 Ų6280.6 Ų80.642%0.41945%0.449SS..  trans-11699.8172.7-172.40000108.4K196 N197 I335K196-C337 CarbonylContact C-O 3.58Å; K196-C337 CarbonylContact O-C 3.35Å; K196-C337 VanDerWaalsContact O-C 3.3Å; K196-C337 PolarHBondContact O-N 3.19Å; N197-C337 VanDerWaalsContact CA-O 3.25Å; N197-C337 WeakPolarHBondContact CA-O 2.94Å; N197-C337 PolarHBondContact OD1-O 3.47Å; I335-C337 PolarHBondContact O-N 3.28Å
338P65.2Low64Low3 Ų373.1 Ų73.12%0.01941%0.414CS..  trans-62.7144.1-178.428.4-36.9000111.7L313 Y336 Y340L313-P338 HydrophobicContact CB-CG 4.15Å; Y336-P338 HydrophobicContact CE1-CB 4.08Å; Y336-P338 HydrophobicContact CE1-CG 4.36Å; P338-Y340 HydrophobicContact CB-CD1 4.24Å; P338-Y340 HydrophobicContact CB-CD2 3.79Å; P338-Y340 HydrophobicContact CB-CE1 3.7Å; P338-Y340 HydrophobicContact CB-CE2 3.23Å; P338-Y340 HydrophobicContact CB-CG 4.28Å; P338-Y340 WeakPolarHBondContact CB-OH 3.3Å; P338-Y340 HydrophobicContact CG-CD2 3.93Å; P338-Y340 HydrophobicContact CG-CE2 3.27Å
339N70.9Confident66.6Low126 Ų12667.8 Ų67.867%0.67439%0.385SS*.  trans-108.479171.7-171.521.4000109.5N197N197-N339 HydrophobicContact CB-CB 4.05Å
340Y80Confident68.8Low38 Ų3866.4 Ų66.415%0.14938%0.375CS..  trans-78.8163.7173.9-52.2-56.3000110.2L312 L313 P338 I344 M345 L348L312-Y340 WeakPolarHBondContact CA-OH 3.21Å; L312-Y340 HydrophobicContact CB-CE2 3.78Å; L312-Y340 HydrophobicContact CD2-CD1 3.88Å; L312-Y340 HydrophobicContact CD2-CE1 3.45Å; L312-Y340 VanDerWaalsContact CD2-CE1 3.45Å; L312-Y340 HydrophobicContact CD2-CE2 4.14Å; L312-Y340 HydrophobicContact CD2-CG 4.42Å; L312-Y340 HydrophobicContact CG-CE2 4.41Å; L313-Y340 PolarHBondContact N-OH 3.36Å; P338-Y340 HydrophobicContact CB-CD1 4.24Å; P338-Y340 HydrophobicContact CB-CD2 3.79Å; P338-Y340 HydrophobicContact CB-CE1 3.7Å; P338-Y340 HydrophobicContact CB-CE2 3.23Å; P338-Y340 HydrophobicContact CB-CG 4.28Å; P338-Y340 WeakPolarHBondContact CB-OH 3.3Å; P338-Y340 HydrophobicContact CG-CD2 3.93Å; P338-Y340 HydrophobicContact CG-CE2 3.27Å; Y340-I344 HydrophobicContact CD2-CG2 4.37Å; Y340-I344 HydrophobicContact CG-CG2 4.23Å; Y340-M345 HydrophobicContact CD2-SD 3.55Å; Y340-M345 VanDerWaalsContact CD2-SD 3.55Å; Y340-M345 HydrophobicContact CG-SD 4.09Å; Y340-M345 VanDerWaalsContact O-CG 3.28Å; Y340-M345 WeakPolarHBondContact O-CG 3.3Å; Y340-L348 HydrophobicContact CD2-CD1 3.31Å; Y340-L348 HydrophobicContact CE2-CD1 3.56Å; Y340-L348 HydrophobicContact CG-CD1 4.4Å
341G80.9Confident71.1Confident49 Ų4962.2 Ų62.251%0.50534%0.34SS..  trans-55.1148175.400000111.5K343 I344 M345G341-K343 VanDerWaalsContact C-N 3.34Å; G341-K343 PolarHBondContact O-N 2.82Å; G341-K343 VanDerWaalsContact O-N 3.15Å; G341-I344 WeakPolarHBondContact O-CA 3.26Å; G341-I344 WeakPolarHBondContact O-CB 3.17Å; G341-I344 PolarHBondContact O-N 2.8Å; G341-M345 PolarHBondContact O-N 2.81Å
342S80.2Confident73.3Confident96 Ų9655.9 Ų55.967%0.67131%0.311SS*.Hα-helixtrans-46.3-52-169.554.40000113.6I344 M345 D346S342-I344 VanDerWaalsContact C-N 3.28Å; S342-I344 PolarHBondContact O-N 3.15Å; S342-M345 WeakPolarHBondContact O-CB 3.38Å; S342-M345 PolarHBondContact O-N 2.83Å; S342-D346 VanDerWaalsContact O-CG 3.25Å; S342-D346 PolarHBondContact O-N 3.23Å
343K83.7Confident75.1Confident135 Ų13556.5 Ų56.559%0.58731%0.311SS*.Hα-helixtrans-58.5-36179.2-172.7175.8-177.3177.90113.8G341 Y347G341-K343 VanDerWaalsContact C-N 3.34Å; G341-K343 PolarHBondContact O-N 2.82Å; G341-K343 VanDerWaalsContact O-N 3.15Å; K343-Y347 HydrophobicContact CD-CE2 4.44Å; K343-Y347 VanDerWaalsContact CE-OH 3.22Å; K343-Y347 WeakPolarHBondContact CE-OH 3.46Å; K343-Y347 HydrophobicContact CG-CE2 3.9Å; K343-Y347 WeakPolarHBondContact O-CD2 3.34Å; K343-Y347 PolarHBondContact O-N 3.34Å
344I84.8Confident77.1Confident56 Ų5654.6 Ų54.629%0.28730%0.295SS..Hα-helixtrans-72-42.9177.6-63.1175.3000109.5L312 Y340 G341 S342 D346 Y347 L348L312-I344 HydrophobicContact CD1-CG2 3.6Å; Y340-I344 HydrophobicContact CD2-CG2 4.37Å; Y340-I344 HydrophobicContact CG-CG2 4.23Å; G341-I344 WeakPolarHBondContact O-CA 3.26Å; G341-I344 WeakPolarHBondContact O-CB 3.17Å; G341-I344 PolarHBondContact O-N 2.8Å; S342-I344 VanDerWaalsContact C-N 3.28Å; S342-I344 PolarHBondContact O-N 3.15Å; I344-D346 VanDerWaalsContact C-N 3.29Å; I344-D346 PolarHBondContact O-N 2.75Å; I344-Y347 PolarHBondContact O-N 3.32Å; I344-L348 HydrophobicContact CG2-CD1 3.88Å; I344-L348 HydrophobicContact CG2-CG 4.3Å; I344-L348 VanDerWaalsContact O-CG 3.32Å; I344-L348 WeakPolarHBondContact O-CG 3.49Å; I344-L348 PolarHBondContact O-N 2.93Å
345M86Confident78.7Confident28 Ų2850 Ų5014%0.13827%0.27CS..Hα-helixtrans-61.1-38.7176.2-73.9-55.9-55.900112.1P315 Y340 G341 S342 Y347 L348 N349P315-M345 HydrophobicContact CG-CE 4.33Å; Y340-M345 HydrophobicContact CD2-SD 3.55Å; Y340-M345 VanDerWaalsContact CD2-SD 3.55Å; Y340-M345 HydrophobicContact CG-SD 4.09Å; Y340-M345 VanDerWaalsContact O-CG 3.28Å; Y340-M345 WeakPolarHBondContact O-CG 3.3Å; G341-M345 PolarHBondContact O-N 2.81Å; S342-M345 WeakPolarHBondContact O-CB 3.38Å; S342-M345 PolarHBondContact O-N 2.83Å; M345-Y347 PolarHBondContact O-N 3.1Å; M345-L348 PolarHBondContact O-N 2.89Å; M345-L348 HydrophobicContact SD-CD1 4.41Å; M345-N349 VanDerWaalsContact O-CB 3.27Å; M345-N349 WeakPolarHBondContact O-CB 3.5Å; M345-N349 PolarHBondContact O-N 3.1Å; M345-N349 PolarHBondContact O-ND2 3.27Å
346D82.5Confident79.9Confident91 Ų9149.7 Ų49.749%0.48727%0.268SS..Hα-helixtrans-57.7-50.4176.1-62.1-27.5000111S342 I344 L348 N349 E350S342-D346 VanDerWaalsContact O-CG 3.25Å; S342-D346 PolarHBondContact O-N 3.23Å; I344-D346 VanDerWaalsContact C-N 3.29Å; I344-D346 PolarHBondContact O-N 2.75Å; D346-L348 PolarHBondContact O-N 3.36Å; D346-N349 PolarHBondContact O-N 3.45Å; D346-E350 WeakPolarHBondContact O-CG 3.37Å; D346-E350 PolarHBondContact O-N 2.88Å
347Y84.5Confident80.6Confident67 Ų6750.2 Ų50.226%0.26327%0.271SS..Hα-helixtrans-59.6-42.8175.7-68.2-47.7000113.2K343 I344 M345 N349 A351 I382K343-Y347 HydrophobicContact CD-CE2 4.44Å; K343-Y347 VanDerWaalsContact CE-OH 3.22Å; K343-Y347 WeakPolarHBondContact CE-OH 3.46Å; K343-Y347 HydrophobicContact CG-CE2 3.9Å; K343-Y347 WeakPolarHBondContact O-CD2 3.34Å; K343-Y347 PolarHBondContact O-N 3.34Å; I344-Y347 PolarHBondContact O-N 3.32Å; M345-Y347 PolarHBondContact O-N 3.1Å; Y347-N349 VanDerWaalsContact C-N 3.35Å; Y347-A351 VanDerWaalsContact O-CB 3.26Å; Y347-A351 WeakPolarHBondContact O-CB 3.42Å; Y347-A351 PolarHBondContact O-N 3.22Å; Y347-I382 HydrophobicContact CD1-CD1 4.21Å; Y347-I382 HydrophobicContact CD1-CG1 3.97Å; Y347-I382 HydrophobicContact CD1-CG2 4.47Å; Y347-I382 HydrophobicContact CG-CG2 4.3Å
348L87.5Confident81.2Confident0 Ų052.3 Ų52.30%028%0.284CS..Hα-helixtrans-70.6-32.7-179.2-67.8175.4000112.3L312 V314 Y340 I344 M345 D346 S352 F386 A408L312-L348 HydrophobicContact CB-CD1 4.21Å; L312-L348 HydrophobicContact CD1-CD1 4.27Å; V314-L348 HydrophobicContact CG2-CD2 4.19Å; Y340-L348 HydrophobicContact CD2-CD1 3.31Å; Y340-L348 HydrophobicContact CE2-CD1 3.56Å; Y340-L348 HydrophobicContact CG-CD1 4.4Å; I344-L348 HydrophobicContact CG2-CD1 3.88Å; I344-L348 HydrophobicContact CG2-CG 4.3Å; I344-L348 VanDerWaalsContact O-CG 3.32Å; I344-L348 WeakPolarHBondContact O-CG 3.49Å; I344-L348 PolarHBondContact O-N 2.93Å; M345-L348 PolarHBondContact O-N 2.89Å; M345-L348 HydrophobicContact SD-CD1 4.41Å; D346-L348 PolarHBondContact O-N 3.36Å; L348-S352 WeakPolarHBondContact O-CB 3.46Å; L348-S352 PolarHBondContact O-N 3.47Å; L348-F386 HydrophobicContact CD2-CE1 4.26Å; L348-A408 HydrophobicContact CD2-CB 3.62Å
349N84.2Confident81.6Confident53 Ų5355.2 Ų55.228%0.28330%0.295SS..Hα-helixtrans-69.9-44.7176-73.5-23.8000111.1I317 M345 D346 Y347 A351 S352 I353I317-N349 HydrophobicContact CD1-CB 3.7Å; I317-N349 WeakPolarHBondContact CD1-O 3.27Å; M345-N349 VanDerWaalsContact O-CB 3.27Å; M345-N349 WeakPolarHBondContact O-CB 3.5Å; M345-N349 PolarHBondContact O-N 3.1Å; M345-N349 PolarHBondContact O-ND2 3.27Å; D346-N349 PolarHBondContact O-N 3.45Å; Y347-N349 VanDerWaalsContact C-N 3.35Å; N349-A351 VanDerWaalsContact C-N 3.34Å; N349-S352 WeakPolarHBondContact O-CB 2.98Å; N349-S352 PolarHBondContact O-N 3.41Å; N349-I353 WeakPolarHBondContact O-CG1 3.29Å; N349-I353 PolarHBondContact O-N 3.39Å
350E81.2Confident81.9Confident80 Ų8049.3 Ų49.337%0.37426%0.263SS..Hα-helixtrans-59.2-46.3171.9-72.8179.6-18000111.2D346 S352 I353 L354D346-E350 WeakPolarHBondContact O-CG 3.37Å; D346-E350 PolarHBondContact O-N 2.88Å; E350-S352 VanDerWaalsContact C-N 3.31Å; E350-S352 PolarHBondContact O-N 3.18Å; E350-I353 PolarHBondContact O-N 3.26Å; E350-L354 PolarHBondContact O-N 2.83Å
351A84.7Confident81.9Confident0 Ų048.4 Ų48.40%026%0.263CS..Hα-helixtrans-59.7-41.4176.100000112.3Y347 N349 I353 L354 L355 L371 F386Y347-A351 VanDerWaalsContact O-CB 3.26Å; Y347-A351 WeakPolarHBondContact O-CB 3.42Å; Y347-A351 PolarHBondContact O-N 3.22Å; N349-A351 VanDerWaalsContact C-N 3.34Å; A351-I353 VanDerWaalsContact C-N 3.32Å; A351-I353 PolarHBondContact O-N 3.05Å; A351-L354 PolarHBondContact O-N 3.21Å; A351-L355 HydrophobicContact CB-CD1 4.01Å; A351-L355 VanDerWaalsContact O-CB 3.25Å; A351-L355 WeakPolarHBondContact O-CB 3.29Å; A351-L355 WeakPolarHBondContact O-CG 3.47Å; A351-L355 PolarHBondContact O-N 2.93Å; A351-L371 VanDerWaalsContact CA-CD1 3.43Å; A351-L371 HydrophobicContact CB-CD1 3.37Å; A351-F386 HydrophobicContact CB-CD1 4.29Å; A351-F386 HydrophobicContact CB-CE1 3.45Å; A351-F386 VanDerWaalsContact CB-CE1 3.45Å; A351-F386 HydrophobicContact CB-CE2 4.27Å; A351-F386 HydrophobicContact CB-CZ 3.43Å; A351-F386 VanDerWaalsContact CB-CZ 3.43Å
352S85.3Confident81.8Confident2 Ų250 Ų501%0.01427%0.266CS..Hα-helixtrans-56.6-44.4178.1-176.30000112.3P315 I317 L348 N349 E350 L354 H356P315-S352 WeakPolarHBondContact O-CB 3.25Å; P315-S352 PolarHBondContact O-OG 2.75Å; I317-S352 PolarHBondContact N-OG 2.67Å; L348-S352 WeakPolarHBondContact O-CB 3.46Å; L348-S352 PolarHBondContact O-N 3.47Å; N349-S352 WeakPolarHBondContact O-CB 2.98Å; N349-S352 PolarHBondContact O-N 3.41Å; E350-S352 VanDerWaalsContact C-N 3.31Å; E350-S352 PolarHBondContact O-N 3.18Å; S352-L354 VanDerWaalsContact C-N 3.27Å; S352-L354 PolarHBondContact O-N 2.77Å; S352-H356 WeakPolarHBondContact O-CB 3.49Å; S352-H356 PolarHBondContact O-N 2.68Å; S352-H356 VanDerWaalsContact O-N 3.16Å; S352-H356 PolarHBondContact O-ND1 3.27Å; S352-H356 PolarHBondContact OG-ND1 2.71Å
353I80.9Confident81.8Confident83 Ų8345.7 Ų45.743%0.42624%0.235SC..Hα-helixtrans-60.7-38.9-179.2-65.6165.7000111.3I317 N349 E350 A351 Q357I317-I353 HydrophobicContact CD1-CG1 4.48Å; N349-I353 WeakPolarHBondContact O-CG1 3.29Å; N349-I353 PolarHBondContact O-N 3.39Å; E350-I353 PolarHBondContact O-N 3.26Å; A351-I353 VanDerWaalsContact C-N 3.32Å; A351-I353 PolarHBondContact O-N 3.05Å; I353-Q357 WeakPolarHBondContact O-CG 3.41Å; I353-Q357 PolarHBondContact O-NE2 3.22Å
354L81.3Confident81.8Confident3 Ų341 Ų412%0.01622%0.219CC..Hα-helixtrans-81.1-47.2-177.5-69.8173000112.5E350 A351 S352 H356 Q357 L371 S510 M514 I516E350-L354 PolarHBondContact O-N 2.83Å; A351-L354 PolarHBondContact O-N 3.21Å; S352-L354 VanDerWaalsContact C-N 3.27Å; S352-L354 PolarHBondContact O-N 2.77Å; L354-H356 VanDerWaalsContact C-N 3.27Å; L354-H356 PolarHBondContact O-N 3.29Å; L354-Q357 WeakPolarHBondContact O-CB 3.36Å; L354-Q357 VanDerWaalsContact O-CG 3.25Å; L354-Q357 WeakPolarHBondContact O-CG 3.49Å; L354-Q357 PolarHBondContact O-N 2.87Å; L354-L371 HydrophobicContact CB-CD2 4.46Å; L354-L371 HydrophobicContact CD1-CD1 4.3Å; L354-L371 HydrophobicContact CD1-CD2 4.11Å; L354-S510 WeakPolarHBondContact CD2-OG 3.17Å; L354-M514 HydrophobicContact CD1-CB 3.65Å; L354-M514 HydrophobicContact CD1-CG 4.49Å; L354-I516 HydrophobicContact CB-CD1 3.85Å; L354-I516 HydrophobicContact CB-CG1 4.02Å; L354-I516 HydrophobicContact CD1-CG1 4.32Å; L354-I516 HydrophobicContact CD2-CD1 4.3Å; L354-I516 HydrophobicContact CD2-CG1 4.32Å; L354-I516 HydrophobicContact CG-CG1 4.46Å
355L84.6Confident81.8Confident0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-72.6-19.7-174.1-66.9173.4000113.3V314 A351 P360 S361 V369 L371 F386 W406V314-L355 HydrophobicContact CG1-CD1 4.41Å; V314-L355 HydrophobicContact CG2-CD1 4.36Å; A351-L355 HydrophobicContact CB-CD1 4.01Å; A351-L355 VanDerWaalsContact O-CB 3.25Å; A351-L355 WeakPolarHBondContact O-CB 3.29Å; A351-L355 WeakPolarHBondContact O-CG 3.47Å; A351-L355 PolarHBondContact O-N 2.93Å; L355-P360 WeakPolarHBondContact O-CB 3.48Å; L355-S361 PolarHBondContact O-OG 2.63Å; L355-V369 HydrophobicContact CD2-CB 4.24Å; L355-V369 HydrophobicContact CD2-CG1 3.88Å; L355-L371 HydrophobicContact CD2-CD2 4.41Å; L355-L371 HydrophobicContact CG-CD1 4.45Å; L355-F386 HydrophobicContact CD1-CB 3.76Å; L355-F386 HydrophobicContact CD1-CD1 3.5Å; L355-F386 VanDerWaalsContact CD1-CD1 3.5Å; L355-F386 HydrophobicContact CD1-CD2 4.33Å; L355-F386 HydrophobicContact CD1-CE1 4.11Å; L355-F386 HydrophobicContact CD1-CG 3.6Å; L355-F386 HydrophobicContact CD2-CB 4.31Å; L355-W406 HydrophobicContact CB-CD2 3.98Å; L355-W406 HydrophobicContact CB-CG 4.07Å; L355-W406 HydrophobicContact CB-CZ2 4.21Å; L355-W406 HydrophobicContact CD1-CB 4.35Å; L355-W406 HydrophobicContact CD1-CD2 3.97Å; L355-W406 HydrophobicContact CD1-CE3 4.11Å; L355-W406 HydrophobicContact CD1-CG 4.09Å; L355-W406 HydrophobicContact CD2-CD2 4.21Å; L355-W406 HydrophobicContact CD2-CE3 4.13Å; L355-W406 HydrophobicContact CD2-CH2 3.92Å; L355-W406 HydrophobicContact CD2-CZ2 3.98Å; L355-W406 HydrophobicContact CD2-CZ3 3.99Å; L355-W406 HydrophobicContact CG-CD2 4.28Å; L355-W406 PolarHBondContact O-NE1 2.96Å
356H82.4Confident81.7Confident42 Ų4238.9 Ų38.919%0.19422%0.215CC..THydrogen-bonded Turntrans-94.48.9173.8-63.993.2000113.5H316 S352 L354 S361 W406H316-H356 AromaticContact CD2-CD2 3.47Å; H316-H356 PolarHBondContact CD2-CD2 2.76Å; H316-H356 VanDerWaalsContact CD2-CD2 3.47Å; H316-H356 AromaticContact CD2-NE2 3.47Å; H316-H356 PolarHBondContact CD2-NE2 3.47Å; H316-H356 AromaticContact NE2-CD2 3.72Å; S352-H356 WeakPolarHBondContact O-CB 3.49Å; S352-H356 PolarHBondContact O-N 2.68Å; S352-H356 VanDerWaalsContact O-N 3.16Å; S352-H356 PolarHBondContact O-ND1 3.27Å; S352-H356 PolarHBondContact OG-ND1 2.71Å; L354-H356 VanDerWaalsContact C-N 3.27Å; L354-H356 PolarHBondContact O-N 3.29Å; H356-S361 VanDerWaalsContact C-OG 3.26Å; H356-S361 WeakPolarHBondContact CA-OG 3.44Å; H356-S361 PolarHBondContact O-OG 2.58Å; H356-W406 AromaticContact NE2-CD1 3.97Å
357Q78.8Confident81.7Confident40 Ų4035.3 Ų35.319%0.18720%0.197CC..SBendtrans-65.7158.3167.2-63.7-60.8-38.800110.4I353 L354 Y359 P360 S361 L508I353-Q357 WeakPolarHBondContact O-CG 3.41Å; I353-Q357 PolarHBondContact O-NE2 3.22Å; L354-Q357 WeakPolarHBondContact O-CB 3.36Å; L354-Q357 VanDerWaalsContact O-CG 3.25Å; L354-Q357 WeakPolarHBondContact O-CG 3.49Å; L354-Q357 PolarHBondContact O-N 2.87Å; Q357-Y359 VanDerWaalsContact C-N 3.3Å; Q357-Y359 PolarHBondContact O-N 3.37Å; Q357-P360 HydrophobicContact CB-CG 4.45Å; Q357-P360 WeakPolarHBondContact O-CD 3.4Å; Q357-S361 VanDerWaalsContact O-CB 3.24Å; Q357-S361 WeakPolarHBondContact O-CB 3.33Å; Q357-S361 PolarHBondContact O-N 3.4Å; Q357-S361 PolarHBondContact O-OG 3.14Å; Q357-L508 HydrophobicContact CB-CD2 3.78Å; Q357-L508 HydrophobicContact CG-CD2 3.79Å
358P76.3Confident81.7Confident107 Ų10735 Ų3570%0.69520%0.2SC*.Hα-helixtrans-53.7-42.3-173.9-28.935.6000114.2S362P358-S362 PolarHBondContact O-N 2.67Å
359Y73.6Confident81.5Confident64 Ų6435 Ų3525%0.25120%0.2SC..Hα-helixtrans-71.5-57.2-177.9-179.8-80.2000113Q357 S361 S362 L363 L504Q357-Y359 VanDerWaalsContact C-N 3.3Å; Q357-Y359 PolarHBondContact O-N 3.37Å; Y359-S361 PolarHBondContact O-N 3Å; Y359-S362 WeakPolarHBondContact O-CA 3.25Å; Y359-S362 WeakPolarHBondContact O-CB 3.26Å; Y359-S362 PolarHBondContact O-N 2.8Å; Y359-S362 PolarHBondContact O-OG 3.08Å; Y359-L363 HydrophobicContact CE1-CD2 3.89Å; Y359-L363 HydrophobicContact CE1-CG 4.24Å; Y359-L363 PolarHBondContact O-N 3.45Å; Y359-L504 HydrophobicContact CD1-CD1 3.31Å; Y359-L504 HydrophobicContact CD2-CD1 3.99Å; Y359-L504 HydrophobicContact CD2-CD2 4.2Å; Y359-L504 HydrophobicContact CE1-CD1 2.96Å; Y359-L504 HydrophobicContact CE1-CD2 4.27Å; Y359-L504 HydrophobicContact CE1-CG 4.21Å; Y359-L504 HydrophobicContact CE2-CD1 3.65Å; Y359-L504 HydrophobicContact CE2-CD2 3.46Å; Y359-L504 VanDerWaalsContact CE2-CD2 3.46Å; Y359-L504 HydrophobicContact CE2-CG 4.18Å; Y359-L504 HydrophobicContact CG-CD1 3.83Å; Y359-L504 VanDerWaalsContact CZ-CD2 3.49Å; Y359-L504 WeakPolarHBondContact OH-CD2 3.3Å
360P76.5Confident81.3Confident1 Ų133.3 Ų33.31%0.00619%0.189CC..Hα-helixtrans-57-36.5178-25.836000111.7L355 Q357 S362 L363 W406 I516L355-P360 WeakPolarHBondContact O-CB 3.48Å; Q357-P360 HydrophobicContact CB-CG 4.45Å; Q357-P360 WeakPolarHBondContact O-CD 3.4Å; P360-S362 PolarHBondContact O-N 3.06Å; P360-S362 VanDerWaalsContact O-N 3.14Å; P360-L363 HydrophobicContact CB-CD1 4.44Å; P360-L363 VanDerWaalsContact O-CB 3.29Å; P360-L363 WeakPolarHBondContact O-CB 3.35Å; P360-L363 WeakPolarHBondContact O-CG 3.4Å; P360-L363 PolarHBondContact O-N 2.83Å; P360-W406 HydrophobicContact CB-CZ2 4.04Å; P360-W406 WeakPolarHBondContact O-CZ2 2.99Å; P360-I516 HydrophobicContact CG-CD1 3.66Å
361S79.5Confident81.1Confident20 Ų2029.5 Ų29.514%0.1417%0.171CC..Hα-helixtrans-63-19.9176-580000114.3L355 H356 Q357 Y359L355-S361 PolarHBondContact O-OG 2.63Å; H356-S361 VanDerWaalsContact C-OG 3.26Å; H356-S361 WeakPolarHBondContact CA-OG 3.44Å; H356-S361 PolarHBondContact O-OG 2.58Å; Q357-S361 VanDerWaalsContact O-CB 3.24Å; Q357-S361 WeakPolarHBondContact O-CB 3.33Å; Q357-S361 PolarHBondContact O-N 3.4Å; Q357-S361 PolarHBondContact O-OG 3.14Å; Y359-S361 PolarHBondContact O-N 3Å
362S79.4Confident80.6Confident81 Ų8132.6 Ų32.657%0.56618%0.183SC*.THydrogen-bonded Turntrans-90.4-7.1177.376.50000113.7P358 Y359 P360P358-S362 PolarHBondContact O-N 2.67Å; Y359-S362 WeakPolarHBondContact O-CA 3.25Å; Y359-S362 WeakPolarHBondContact O-CB 3.26Å; Y359-S362 PolarHBondContact O-N 2.8Å; Y359-S362 PolarHBondContact O-OG 3.08Å; P360-S362 PolarHBondContact O-N 3.06Å; P360-S362 VanDerWaalsContact O-N 3.14Å
363L80.8Confident79.6Confident6 Ų633.4 Ų33.43%0.03119%0.189CC..SBendtrans-62.1137.5177.8-71.2170.3000109.9Y359 P360 V369 W406 V518Y359-L363 HydrophobicContact CE1-CD2 3.89Å; Y359-L363 HydrophobicContact CE1-CG 4.24Å; Y359-L363 PolarHBondContact O-N 3.45Å; P360-L363 HydrophobicContact CB-CD1 4.44Å; P360-L363 VanDerWaalsContact O-CB 3.29Å; P360-L363 WeakPolarHBondContact O-CB 3.35Å; P360-L363 WeakPolarHBondContact O-CG 3.4Å; P360-L363 PolarHBondContact O-N 2.83Å; L363-V369 HydrophobicContact CD1-CG2 3.59Å; L363-W406 HydrophobicContact CD1-CH2 3.97Å; L363-V518 HydrophobicContact CD1-CG1 4.27Å; L363-V518 HydrophobicContact CD1-CG2 3.98Å; L363-V518 HydrophobicContact CD2-CG1 4.24Å
364P82.1Confident78.7Confident37 Ų3732.3 Ų32.324%0.2418%0.182CC..PPolyproline II helixtrans-62.6148177.126.1-31.8000109.4S367P364-S367 WeakPolarHBondContact CD-OG 3.49Å; P364-S367 WeakPolarHBondContact CG-OG 3.37Å; P364-S367 VanDerWaalsContact O-CB 3.29Å; P364-S367 WeakPolarHBondContact O-CB 3.36Å; P364-S367 PolarHBondContact O-N 3.37Å; P364-S367 PolarHBondContact O-OG 3.07Å
365P85.3Confident77.6Confident17 Ų1739.3 Ų39.311%0.1121%0.212CC..THydrogen-bonded Turntrans-51.5152171.3-25.433.2000111.2W260 S367 A388 F464W260-P365 HydrophobicContact CB-CB 3.99Å; W260-P365 WeakPolarHBondContact O-CB 3.44Å; P365-S367 PolarHBondContact O-N 2.96Å; P365-A388 CarbonylContact C-O 3.46Å; P365-A388 VanDerWaalsContact CA-O 3.29Å; P365-A388 WeakPolarHBondContact CA-O 3.07Å; P365-F464 VanDerWaalsContact C-CE1 3.45Å; P365-F464 HydrophobicContact CB-CE1 4.36Å; P365-F464 WeakPolarHBondContact O-CD1 3.46Å; P365-F464 WeakPolarHBondContact O-CE1 2.98Å
366G83.7Confident76.4Confident23 Ų2342.6 Ų42.624%0.23723%0.23CC..THydrogen-bonded Turntrans80.2-8.2-173.400000114.7I368 A388G366-I368 PolarHBondContact O-N 3.17Å; G366-A388 PolarHBondContact N-O 2.92Å
367S83.2Confident75Confident15 Ų1549.4 Ų49.411%0.10526%0.259CS..  trans-65.2131.9171.5-580000110.2P364 P365 I387 A388P364-S367 WeakPolarHBondContact CD-OG 3.49Å; P364-S367 WeakPolarHBondContact CG-OG 3.37Å; P364-S367 VanDerWaalsContact O-CB 3.29Å; P364-S367 WeakPolarHBondContact O-CB 3.36Å; P364-S367 PolarHBondContact O-N 3.37Å; P364-S367 PolarHBondContact O-OG 3.07Å; P365-S367 PolarHBondContact O-N 2.96Å; S367-I387 CarbonylContact O-C 3.49Å; S367-I387 VanDerWaalsContact O-CA 3.31Å; S367-I387 WeakPolarHBondContact O-CA 3.02Å; S367-A388 PolarHBondContact O-N 3.45Å
368I83.4Confident73.7Confident62 Ų6256.2 Ų56.232%0.31829%0.288SS..EExtended strand (participates in β ladder)trans-98.3138.1175.1-54.5178.8000107.7G366 Y370 A385 F386 I387 V518G366-I368 PolarHBondContact O-N 3.17Å; I368-Y370 HydrophobicContact CG2-CE1 4.48Å; I368-Y370 HydrophobicContact CG2-CE2 3.73Å; I368-A385 HydrophobicContact CG2-CB 3.91Å; I368-F386 CarbonylContact C-O 3.47Å; I368-F386 WeakPolarHBondContact CA-O 3.41Å; I368-I387 HydrophobicContact CG1-CG1 4.38Å; I368-V518 VanDerWaalsContact O-OXT 3.09Å
369V83.3Confident72.6Confident0 Ų058 Ų580%029%0.287CS..EExtended strand (participates in β ladder)trans-133.6140.2-179.8-177.70000108.7L355 L363 L371 F386 W406 I516 V518L355-V369 HydrophobicContact CD2-CB 4.24Å; L355-V369 HydrophobicContact CD2-CG1 3.88Å; L363-V369 HydrophobicContact CD1-CG2 3.59Å; V369-L371 HydrophobicContact CG1-CD2 4.41Å; V369-F386 HydrophobicContact CB-CB 4.31Å; V369-F386 PolarHBondContact N-O 3.47Å; V369-F386 WeakPolarHBondContact O-CB 3.38Å; V369-F386 PolarHBondContact O-N 3.38Å; V369-W406 HydrophobicContact CB-CH2 4.38Å; V369-W406 HydrophobicContact CB-CZ3 4.16Å; V369-W406 HydrophobicContact CG2-CH2 3.61Å; V369-W406 HydrophobicContact CG2-CZ3 3.74Å; V369-I516 HydrophobicContact CG1-CG2 3.54Å; V369-V518 HydrophobicContact CG1-CG2 4.19Å; V369-V518 HydrophobicContact CG2-CG1 4.39Å; V369-V518 HydrophobicContact CG2-CG2 4.01Å
370Y81.5Confident72.2Confident16 Ų1657.6 Ų57.66%0.06329%0.287CS..EExtended strand (participates in β ladder)trans-114.4145.2174.1-59.4-85.2000109.4I368 A385 A428 L431 Y432 V517I368-Y370 HydrophobicContact CG2-CE1 4.48Å; I368-Y370 HydrophobicContact CG2-CE2 3.73Å; Y370-A385 HydrophobicContact CD1-CB 4.27Å; Y370-A385 HydrophobicContact CE1-CB 3.64Å; Y370-A428 HydrophobicContact CE1-CB 4.16Å; Y370-A428 WeakPolarHBondContact CE1-O 3.34Å; Y370-L431 HydrophobicContact CE1-CB 4.5Å; Y370-L431 WeakPolarHBondContact OH-CB 3.38Å; Y370-Y432 HydrophobicContact CD2-CD2 4.35Å; Y370-Y432 HydrophobicContact CG-CD2 4.08Å; Y370-V517 PolarHBondContact N-O 3.23Å; Y370-V517 PolarHBondContact O-N 3.4Å
371L77.3Confident71.7Confident0 Ų058.3 Ų58.30%029%0.291CS..EExtended strand (participates in β ladder)trans-115.3127177-61.5-179000109.3A351 L354 L355 V369 I382 F386 M514 I516A351-L371 VanDerWaalsContact CA-CD1 3.43Å; A351-L371 HydrophobicContact CB-CD1 3.37Å; L354-L371 HydrophobicContact CB-CD2 4.46Å; L354-L371 HydrophobicContact CD1-CD1 4.3Å; L354-L371 HydrophobicContact CD1-CD2 4.11Å; L355-L371 HydrophobicContact CD2-CD2 4.41Å; L355-L371 HydrophobicContact CG-CD1 4.45Å; V369-L371 HydrophobicContact CG1-CD2 4.41Å; L371-I382 HydrophobicContact CB-CB 4.44Å; L371-I382 HydrophobicContact CB-CD1 4Å; L371-I382 HydrophobicContact CB-CG1 4.36Å; L371-I382 HydrophobicContact CD1-CD1 4.13Å; L371-I382 PolarHBondContact O-N 2.92Å; L371-F386 HydrophobicContact CB-CE2 4.05Å; L371-F386 HydrophobicContact CD1-CD2 3.99Å; L371-F386 HydrophobicContact CD1-CE2 3.5Å; L371-F386 VanDerWaalsContact CD1-CE2 3.5Å; L371-F386 HydrophobicContact CD1-CZ 3.87Å; L371-F386 HydrophobicContact CG-CD2 3.83Å; L371-F386 HydrophobicContact CG-CE2 3.61Å; L371-F386 HydrophobicContact CG-CZ 4.46Å; L371-M514 HydrophobicContact CB-CE 4.24Å; L371-I516 HydrophobicContact CD2-CB 4.09Å; L371-I516 HydrophobicContact CD2-CG1 3.64Å; L371-I516 HydrophobicContact CD2-CG2 4.17Å
372R72.3Confident71.5Confident66 Ų6657.7 Ų57.725%0.24929%0.285CS..EExtended strand (participates in β ladder)trans-113.5140.4-176.9166.8175.1-173.6-174.78.4111.1H380 L381 E471 M514 S515 V517R372-H380 CarbonylContact C-O 3.44Å; R372-H380 WeakPolarHBondContact CA-O 2.99Å; R372-H380 WeakPolarHBondContact CB-O 3.29Å; R372-H380 VanDerWaalsContact CG-O 3.25Å; R372-H380 WeakPolarHBondContact CG-O 3.48Å; R372-L381 HydrophobicContact CB-CD2 4.27Å; R372-E471 IonicContact CZ-OE1 2.72Å; R372-E471 IonicContact NH1-OE1 2.69Å; R372-E471 PolarHBondContact NH1-OE1 2.76Å; R372-M514 VanDerWaalsContact C-CE 3.41Å; R372-M514 CarbonylContact O-C 3.59Å; R372-M514 WeakPolarHBondContact O-CA 3.32Å; R372-M514 WeakPolarHBondContact O-CE 3.21Å; R372-S515 PolarHBondContact N-O 3.08Å; R372-S515 PolarHBondContact O-N 3.42Å; R372-S515 PolarHBondContact O-OG 3.1Å; R372-V517 HydrophobicContact CB-CG2 4.31Å
373S66.3Low71.8Confident18 Ų1856 Ų5613%0.12627%0.273CS..EExtended strand (participates in β ladder)trans-81132.5168.2-170.90000111.3K375 D376 H380 M514S373-K375 PolarHBondContact OG-N 3.23Å; S373-D376 PolarHBondContact OG-N 3.17Å; S373-D376 VanDerWaalsContact OG-N 3.13Å; S373-H380 PolarHBondContact N-O 3.49Å; S373-M514 WeakPolarHBondContact CA-SD 3.15Å; S373-M514 WeakPolarHBondContact CB-SD 3.48Å
374Q62.1Low72.2Confident60 Ų6056.6 Ų56.628%0.2828%0.275SS..SBendtrans-79.6-28.3169.5-62.6-179.59.100111.6S474 D513Q374-S474 PolarHBondContact NE2-OG 2.81Å; Q374-S474 PolarHBondContact OE1-OG 3.22Å; Q374-D513 WeakPolarHBondContact CB-O 3.45Å; Q374-D513 PolarHBondContact N-O 2.92Å
375K57.9Low72.5Confident151 Ų15154.9 Ų54.966%0.65726%0.263SS*.SBendtrans-87.5-40.8-177.7-78.9-169.9-175.1158.50113.9S373 K377 D513S373-K375 PolarHBondContact OG-N 3.23Å; K375-K377 PolarHBondContact O-N 3.2Å; K375-D513 HydrophobicContact CB-CB 4.26Å; K375-D513 HydrophobicContact CD-CB 3.82Å; K375-D513 WeakPolarHBondContact CD-OD2 2.85Å; K375-D513 WeakPolarHBondContact CE-OD1 3.21Å; K375-D513 VanDerWaalsContact CE-OD2 3.22Å; K375-D513 WeakPolarHBondContact CE-OD2 3.44Å; K375-D513 HydrophobicContact CG-CB 3.86Å; K375-D513 IonicContact NZ-OD1 3.63Å; K375-D513 PolarHBondContact NZ-OD1 2.85Å; K375-D513 IonicContact NZ-OD2 2.76Å; K375-D513 PolarHBondContact NZ-OD2 3.18Å
376D58Low72.7Confident69 Ų6954 Ų5437%0.36926%0.258SS..  trans-93.390-179.5-162.6-22.2000111.4S373 K378 H379 H380S373-D376 PolarHBondContact OG-N 3.17Å; S373-D376 VanDerWaalsContact OG-N 3.13Å; D376-K378 PolarHBondContact O-N 2.99Å; D376-K378 WeakPolarHBondContact OD1-CA 3.47Å; D376-K378 PolarHBondContact OD1-N 2.78Å; D376-H379 CarbonylContact O-C 3.57Å; D376-H379 PolarHBondContact OD1-N 2.76Å; D376-H379 IonicContact OD2-CD2 3.69Å; D376-H380 WeakPolarHBondContact O-CA 3.45Å; D376-H380 PolarHBondContact O-N 3.03Å
377K54.4Low73.1Confident184 Ų18453.1 Ų53.180%0.825%0.247SC*.SBendtrans-63.1-19.7176-67.9-174.4179.6-179.10113.2K375K375-K377 PolarHBondContact O-N 3.2Å
378K50.5Low73.4Confident184 Ų18452.4 Ų52.480%0.824%0.242SC*.SBendtrans-92.1-38.9-179.1-71.5-175.1177.4179.90111.8D376D376-K378 PolarHBondContact O-N 2.99Å; D376-K378 WeakPolarHBondContact OD1-CA 3.47Å; D376-K378 PolarHBondContact OD1-N 2.78Å
379H54.4Low73.8Confident145 Ų14549.4 Ų49.467%0.67123%0.227SC*.SBendtrans-108.962.2172.3-70.6-67.6000111.5D376 L381D376-H379 CarbonylContact O-C 3.57Å; D376-H379 PolarHBondContact OD1-N 2.76Å; D376-H379 IonicContact OD2-CD2 3.69Å; H379-L381 PolarHBondContact O-N 2.72Å
380H64.4Low74.1Confident54 Ų5452.3 Ų52.325%0.2524%0.24CC..  trans-62.3-24.2-171.956-76.2000114R372 S373 D376R372-H380 CarbonylContact C-O 3.44Å; R372-H380 WeakPolarHBondContact CA-O 2.99Å; R372-H380 WeakPolarHBondContact CB-O 3.29Å; R372-H380 VanDerWaalsContact CG-O 3.25Å; R372-H380 WeakPolarHBondContact CG-O 3.48Å; S373-H380 PolarHBondContact N-O 3.49Å; D376-H380 WeakPolarHBondContact O-CA 3.45Å; D376-H380 PolarHBondContact O-N 3.03Å
381L66.1Low74.3Confident17 Ų1753.2 Ų53.29%0.08925%0.247CC..EExtended strand (participates in β ladder)trans-120.4137-176.6-70.8155.4000111.9R372 H379 I429 Y432R372-L381 HydrophobicContact CB-CD2 4.27Å; H379-L381 PolarHBondContact O-N 2.72Å; L381-I429 HydrophobicContact CB-CG1 4.33Å; L381-I429 HydrophobicContact CD1-CG1 4.16Å; L381-I429 HydrophobicContact CD1-CG2 4.33Å; L381-Y432 HydrophobicContact CD1-CD1 3.34Å; L381-Y432 HydrophobicContact CD1-CD2 4.3Å; L381-Y432 HydrophobicContact CD1-CE1 3.8Å; L381-Y432 HydrophobicContact CD1-CG 3.61Å; L381-Y432 HydrophobicContact CD2-CD1 4.36Å; L381-Y432 HydrophobicContact CD2-CD2 3.91Å; L381-Y432 HydrophobicContact CD2-CE1 4.45Å; L381-Y432 HydrophobicContact CD2-CE2 4.02Å; L381-Y432 HydrophobicContact CD2-CG 4.07Å; L381-Y432 HydrophobicContact CG-CD1 4.38Å; L381-Y432 HydrophobicContact CG-CG 4.48Å
382I76Confident74.2Confident6 Ų653.8 Ų53.83%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-57.9131.7156.5-68.3-175.6000106.8Y347 L371 Y384 F386 M514Y347-I382 HydrophobicContact CD1-CD1 4.21Å; Y347-I382 HydrophobicContact CD1-CG1 3.97Å; Y347-I382 HydrophobicContact CD1-CG2 4.47Å; Y347-I382 HydrophobicContact CG-CG2 4.3Å; L371-I382 HydrophobicContact CB-CB 4.44Å; L371-I382 HydrophobicContact CB-CD1 4Å; L371-I382 HydrophobicContact CB-CG1 4.36Å; L371-I382 HydrophobicContact CD1-CD1 4.13Å; L371-I382 PolarHBondContact O-N 2.92Å; I382-Y384 HydrophobicContact CG2-CD2 3.66Å; I382-Y384 HydrophobicContact CG2-CG 4.42Å; I382-Y384 PolarHBondContact O-N 2.8Å; I382-F386 HydrophobicContact CB-CE2 4.47Å; I382-F386 HydrophobicContact CG2-CE2 4.09Å; I382-F386 HydrophobicContact CG2-CZ 3.88Å; I382-M514 HydrophobicContact CD1-CE 3.63Å; I382-M514 HydrophobicContact CG1-CE 3.55Å
383P84.9Confident73.8Confident46 Ų4655.2 Ų55.230%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-75.734.8-171.832.9-38.4000113.3
384Y89Confident73.4Confident19 Ų1958.6 Ų58.68%0.07529%0.287CS..EExtended strand (participates in β ladder)trans-137.6141.2-178.5-60.9-77.6000110.3L312 I382 A408 V409 K410 A428L312-Y384 HydrophobicContact CD1-CD1 4.48Å; L312-Y384 HydrophobicContact CD1-CE1 3.65Å; I382-Y384 HydrophobicContact CG2-CD2 3.66Å; I382-Y384 HydrophobicContact CG2-CG 4.42Å; I382-Y384 PolarHBondContact O-N 2.8Å; Y384-A408 HydrophobicContact CD1-CB 4.26Å; Y384-A408 HydrophobicContact CG-CB 4.23Å; Y384-V409 WeakPolarHBondContact CA-O 3.46Å; Y384-K410 HydrophobicContact CD1-CB 3.88Å; Y384-K410 HydrophobicContact CE1-CB 3.8Å; Y384-K410 HydrophobicContact CE1-CD 4.37Å; Y384-K410 HydrophobicContact CE1-CG 4.45Å; Y384-A428 VanDerWaalsContact C-CB 3.45Å
385A88.5Confident72.8Confident0 Ų055.9 Ų55.90%027%0.274CS..EExtended strand (participates in β ladder)trans-90.3134.6161.100000107.6I368 Y370 A408 V409 F412 A428I368-A385 HydrophobicContact CG2-CB 3.91Å; Y370-A385 HydrophobicContact CD1-CB 4.27Å; Y370-A385 HydrophobicContact CE1-CB 3.64Å; A385-A408 CarbonylContact O-C 3.58Å; A385-A408 WeakPolarHBondContact O-CA 3.4Å; A385-V409 PolarHBondContact N-O 3.06Å; A385-V409 PolarHBondContact O-N 2.99Å; A385-F412 HydrophobicContact CB-CE2 4.34Å; A385-A428 HydrophobicContact CB-CB 3.97Å; A385-A428 VanDerWaalsContact N-CB 3.28Å
386F90.4Very high71.9Confident0 Ų051.2 Ų51.20%026%0.26CS..EExtended strand (participates in β ladder)trans-104.2125.6-179.7-61.3-83.9000109.4V314 L348 A351 L355 I368 V369 L371 I382 W406 L407 A408V314-F386 HydrophobicContact CG2-CD1 3.68Å; V314-F386 HydrophobicContact CG2-CE1 3.86Å; L348-F386 HydrophobicContact CD2-CE1 4.26Å; A351-F386 HydrophobicContact CB-CD1 4.29Å; A351-F386 HydrophobicContact CB-CE1 3.45Å; A351-F386 VanDerWaalsContact CB-CE1 3.45Å; A351-F386 HydrophobicContact CB-CE2 4.27Å; A351-F386 HydrophobicContact CB-CZ 3.43Å; A351-F386 VanDerWaalsContact CB-CZ 3.43Å; L355-F386 HydrophobicContact CD1-CB 3.76Å; L355-F386 HydrophobicContact CD1-CD1 3.5Å; L355-F386 VanDerWaalsContact CD1-CD1 3.5Å; L355-F386 HydrophobicContact CD1-CD2 4.33Å; L355-F386 HydrophobicContact CD1-CE1 4.11Å; L355-F386 HydrophobicContact CD1-CG 3.6Å; L355-F386 HydrophobicContact CD2-CB 4.31Å; I368-F386 CarbonylContact C-O 3.47Å; I368-F386 WeakPolarHBondContact CA-O 3.41Å; V369-F386 HydrophobicContact CB-CB 4.31Å; V369-F386 PolarHBondContact N-O 3.47Å; V369-F386 WeakPolarHBondContact O-CB 3.38Å; V369-F386 PolarHBondContact O-N 3.38Å; L371-F386 HydrophobicContact CB-CE2 4.05Å; L371-F386 HydrophobicContact CD1-CD2 3.99Å; L371-F386 HydrophobicContact CD1-CE2 3.5Å; L371-F386 VanDerWaalsContact CD1-CE2 3.5Å; L371-F386 HydrophobicContact CD1-CZ 3.87Å; L371-F386 HydrophobicContact CG-CD2 3.83Å; L371-F386 HydrophobicContact CG-CE2 3.61Å; L371-F386 HydrophobicContact CG-CZ 4.46Å; I382-F386 HydrophobicContact CB-CE2 4.47Å; I382-F386 HydrophobicContact CG2-CE2 4.09Å; I382-F386 HydrophobicContact CG2-CZ 3.88Å; F386-W406 HydrophobicContact CB-CE3 3.94Å; F386-W406 HydrophobicContact CB-CZ3 4.17Å; F386-L407 CarbonylContact C-O 3.56Å; F386-L407 VanDerWaalsContact CA-O 3.3Å; F386-L407 WeakPolarHBondContact CA-O 3.39Å; F386-A408 HydrophobicContact CD1-CB 3.84Å; F386-A408 HydrophobicContact CE1-CB 3.72Å
387I90.8Very high71.2Confident3 Ų352.3 Ų52.32%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-114.4123.9-175.7-45.9174.9000109W260 S367 I368 C389 W406 L407 V409 F412W260-I387 HydrophobicContact CD2-CG2 4.2Å; W260-I387 HydrophobicContact CE3-CG2 3.72Å; W260-I387 HydrophobicContact CH2-CB 4.27Å; W260-I387 HydrophobicContact CH2-CD1 3.52Å; W260-I387 HydrophobicContact CH2-CG2 3.8Å; W260-I387 HydrophobicContact CZ2-CD1 4.14Å; W260-I387 HydrophobicContact CZ2-CG2 4.25Å; W260-I387 HydrophobicContact CZ3-CB 3.99Å; W260-I387 HydrophobicContact CZ3-CD1 4.1Å; W260-I387 HydrophobicContact CZ3-CG2 3.5Å; W260-I387 VanDerWaalsContact CZ3-CG2 3.5Å; S367-I387 CarbonylContact O-C 3.49Å; S367-I387 VanDerWaalsContact O-CA 3.31Å; S367-I387 WeakPolarHBondContact O-CA 3.02Å; I368-I387 HydrophobicContact CG1-CG1 4.38Å; I387-C389 PolarHBondContact O-SG 3.01Å; I387-C389 VanDerWaalsContact O-SG 3.38Å; I387-W406 VanDerWaalsContact C-CE3 3.47Å; I387-L407 HydrophobicContact CB-CB 4.44Å; I387-L407 PolarHBondContact N-O 3.16Å; I387-L407 PolarHBondContact O-N 2.83Å; I387-V409 HydrophobicContact CD1-CB 4.45Å; I387-V409 HydrophobicContact CD1-CG2 3.72Å; I387-V409 HydrophobicContact CG1-CG2 4.36Å; I387-F412 HydrophobicContact CD1-CE1 4.2Å; I387-F412 HydrophobicContact CD1-CZ 3.88Å
388A90.8Very high71Confident0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans-66.7133.1173.500000109.4P365 G366 S367 V404 W406P365-A388 CarbonylContact C-O 3.46Å; P365-A388 VanDerWaalsContact CA-O 3.29Å; P365-A388 WeakPolarHBondContact CA-O 3.07Å; G366-A388 PolarHBondContact N-O 2.92Å; S367-A388 PolarHBondContact O-N 3.45Å; A388-V404 HydrophobicContact CB-CG2 4.36Å; A388-W406 HydrophobicContact CB-CE3 4.3Å; A388-W406 HydrophobicContact CB-CH2 3.79Å; A388-W406 HydrophobicContact CB-CZ2 4.25Å; A388-W406 HydrophobicContact CB-CZ3 3.83Å; A388-W406 VanDerWaalsContact N-CZ3 3.32Å
389C91Very high70.9Confident0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-128170.2-179.5-57.90000109.6A265 I387 V404 S405A265-C389 HydrophobicContact CB-CB 4.32Å; I387-C389 PolarHBondContact O-SG 3.01Å; I387-C389 VanDerWaalsContact O-SG 3.38Å; C389-V404 WeakPolarHBondContact O-CA 3.31Å; C389-V404 VanDerWaalsContact O-CB 3.25Å; C389-V404 WeakPolarHBondContact O-CB 3.3Å; C389-S405 WeakPolarHBondContact CA-O 3.44Å; C389-S405 WeakPolarHBondContact CB-O 3.43Å; C389-S405 WeakPolarHBondContact CB-OG 3.37Å; C389-S405 PolarHBondContact N-O 3.05Å; C389-S405 PolarHBondContact O-N 3.18Å
390K90.5Very high70.5Confident61 Ų6143 Ų4327%0.26523%0.225SC..  trans-49.8141.3174.3-174.9-177.1-174.21640111.5W260 Q261 E262 Q263 S264 N392 S405W260-K390 PolarHBondContact O-N 3.1Å; Q261-K390 WeakPolarHBondContact O-CD 3.44Å; E262-K390 WeakPolarHBondContact O-CD 3.49Å; E262-K390 PolarHBondContact O-NZ 2.65Å; E262-K390 VanDerWaalsContact O-NZ 3.11Å; E262-K390 IonicContact OE2-NZ 3.89Å; E262-K390 PolarHBondContact OE2-NZ 2.93Å; Q263-K390 WeakPolarHBondContact O-CB 3.17Å; Q263-K390 PolarHBondContact O-N 3.45Å; S264-K390 WeakPolarHBondContact CA-O 3.38Å; S264-K390 WeakPolarHBondContact CB-O 3.49Å; K390-N392 PolarHBondContact O-N 3.01Å; K390-S405 WeakPolarHBondContact O-CB 3.29Å; K390-S405 PolarHBondContact O-OG 3.16Å
391P85.4Confident70Confident34 Ų3446.1 Ų46.122%0.22124%0.244CC..  trans-52.2138.1171.1-28.336000112.4N393 S403P391-N393 PolarHBondContact O-N 2.79Å; P391-S403 WeakPolarHBondContact CA-O 3.48Å; P391-S403 VanDerWaalsContact CB-O 3.26Å; P391-S403 WeakPolarHBondContact CB-O 3.25Å
392N75.3Confident69.6Low13 Ų1351.5 Ų51.57%0.0727%0.273CS..  trans-84.7107.6178-1767.8000110.9E266 K390 S394 I398E266-N392 PolarHBondContact OE1-ND2 3.23Å; E266-N392 WeakPolarHBondContact OE2-CB 3.38Å; E266-N392 PolarHBondContact OE2-ND2 2.96Å; K390-N392 PolarHBondContact O-N 3.01Å; N392-S394 VanDerWaalsContact C-N 3.29Å; N392-S394 VanDerWaalsContact CG-OG 3.25Å; N392-S394 PolarHBondContact ND2-OG 3.04Å; N392-S394 VanDerWaalsContact ND2-OG 3.14Å; N392-S394 PolarHBondContact O-N 3.14Å; N392-S394 WeakPolarHBondContact OD1-CB 3.36Å; N392-S394 PolarHBondContact OD1-N 2.87Å; N392-S394 PolarHBondContact OD1-OG 3.49Å; N392-I398 HydrophobicContact CB-CD1 4.43Å; N392-I398 WeakPolarHBondContact O-CG2 3.17Å
393N62.9Low69.4Low95 Ų9551.6 Ų51.651%0.50827%0.274SS..THydrogen-bonded Turntrans-83.11179.8-70.7-18.2000114.3P391 K399P391-N393 PolarHBondContact O-N 2.79Å; N393-K399 WeakPolarHBondContact O-CE 3.44Å
394S57.6Low69.4Low89 Ų8949.9 Ų49.962%0.62226%0.263SS*.THydrogen-bonded Turntrans-82.1-10.9-175.9610000114.6N392N392-S394 VanDerWaalsContact C-N 3.29Å; N392-S394 VanDerWaalsContact CG-OG 3.25Å; N392-S394 PolarHBondContact ND2-OG 3.04Å; N392-S394 VanDerWaalsContact ND2-OG 3.14Å; N392-S394 PolarHBondContact O-N 3.14Å; N392-S394 WeakPolarHBondContact OD1-CB 3.36Å; N392-S394 PolarHBondContact OD1-N 2.87Å; N392-S394 PolarHBondContact OD1-OG 3.49Å
395S48.9Very low69.5Low3 Ų349.4 Ų49.42%0.02126%0.262CS..  trans-109.1127.7173.6174.30000111.6I335 I397 I398 K399I335-S395 WeakPolarHBondContact CD1-OG 3.42Å; S395-I397 PolarHBondContact O-N 3.3Å; S395-I397 PolarHBondContact OG-N 3.27Å; S395-I398 PolarHBondContact O-N 3.27Å; S395-I398 VanDerWaalsContact O-N 3.16Å; S395-K399 PolarHBondContact O-N 3.36Å
396P41.1Very low69.6Low54 Ų5449.4 Ų49.435%0.35126%0.262SS..THydrogen-bonded Turntrans-61.3-23.7174.822.6-29.5000113.1E331E331-P396 HydrophobicContact CB-CG 4.31Å
397I43.1Very low69.8Low91 Ų9149.4 Ų49.447%0.46726%0.262SS..THydrogen-bonded Turntrans-72.2-35.9177.4-59.7169.9000111.2V332 S395V332-I397 HydrophobicContact CG2-CD1 4.09Å; S395-I397 PolarHBondContact O-N 3.3Å; S395-I397 PolarHBondContact OG-N 3.27Å
398I49.1Very low69.9Low19 Ų1949.3 Ų49.310%0.09726%0.262CS..G310 helixtrans-81.7-29.6-177.7-60.2175.1000111.2H316 N392 S395 Q400 N401H316-I398 HydrophobicContact CB-CD1 4.33Å; N392-I398 HydrophobicContact CB-CD1 4.43Å; N392-I398 WeakPolarHBondContact O-CG2 3.17Å; S395-I398 PolarHBondContact O-N 3.27Å; S395-I398 VanDerWaalsContact O-N 3.16Å; I398-Q400 PolarHBondContact O-N 3.35Å; I398-N401 PolarHBondContact O-N 3.15Å; I398-N401 VanDerWaalsContact O-N 3.16Å
399K48.3Very low70Confident130 Ų13049.4 Ų49.457%0.56526%0.262SS*.G310 helixtrans-52.7-25.2178.7-78.7-175-178179.80114.2N393 S395N393-K399 WeakPolarHBondContact O-CE 3.44Å; S395-K399 PolarHBondContact O-N 3.36Å
400Q45.6Very low69.9Low168 Ų16853.4 Ų53.479%0.78528%0.28SS*.G310 helixtrans-78.3-22.8-175.5-70.5-173.8-14.500114.2I398I398-Q400 PolarHBondContact O-N 3.35Å
401N54.4Low69.9Low121 Ų12150.6 Ų50.665%0.64727%0.267SS*.THydrogen-bonded Turntrans-114.1-0.9-168.7-77.8-6000115.7I398 S403I398-N401 PolarHBondContact O-N 3.15Å; I398-N401 VanDerWaalsContact O-N 3.16Å; N401-S403 PolarHBondContact O-N 3.47Å
402N58.5Low70.1Confident129 Ų12949.1 Ų49.169%0.6926%0.258SS*.THydrogen-bonded Turntrans47.825.5-175-87.7-7.4000113.6
403S71.9Confident70.9Confident8 Ų850.5 Ų50.56%0.05627%0.265CS..PPolyproline II helixtrans-73131.9-176.945.60000110P391 N401P391-S403 WeakPolarHBondContact CA-O 3.48Å; P391-S403 VanDerWaalsContact CB-O 3.26Å; P391-S403 WeakPolarHBondContact CB-O 3.25Å; N401-S403 PolarHBondContact O-N 3.47Å
404V84.4Confident72.1Confident10 Ų1046 Ų466%0.06124%0.241CC..PPolyproline II helixtrans-55148.3170.4-69.10000110.4A388 C389 W406A388-V404 HydrophobicContact CB-CG2 4.36Å; C389-V404 WeakPolarHBondContact O-CA 3.31Å; C389-V404 VanDerWaalsContact O-CB 3.25Å; C389-V404 WeakPolarHBondContact O-CB 3.3Å; V404-W406 HydrophobicContact CG2-CZ2 3.94Å
405S90.4Very high73.5Confident9 Ų947.7 Ų47.76%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-87.4154.9168.461.60000109.5S264 A265 C389 K390S264-S405 WeakPolarHBondContact CA-OG 3.08Å; S264-S405 WeakPolarHBondContact CB-OG 3.36Å; A265-S405 PolarHBondContact N-OG 2.92Å; C389-S405 WeakPolarHBondContact CA-O 3.44Å; C389-S405 WeakPolarHBondContact CB-O 3.43Å; C389-S405 WeakPolarHBondContact CB-OG 3.37Å; C389-S405 PolarHBondContact N-O 3.05Å; C389-S405 PolarHBondContact O-N 3.18Å; K390-S405 WeakPolarHBondContact O-CB 3.29Å; K390-S405 PolarHBondContact O-OG 3.16Å
406W92.2Very high75Confident1 Ų148.1 Ų48.10%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-123.7130.2-171.8-74.9101.1000111.9A265 V314 L355 H356 P360 L363 V369 F386 I387 A388 V404A265-W406 WeakPolarHBondContact CB-O 3.41Å; V314-W406 HydrophobicContact CB-CB 3.67Å; V314-W406 HydrophobicContact CG1-CB 4.3Å; V314-W406 HydrophobicContact CG2-CB 3.71Å; V314-W406 PolarHBondContact N-O 3.22Å; L355-W406 HydrophobicContact CB-CD2 3.98Å; L355-W406 HydrophobicContact CB-CG 4.07Å; L355-W406 HydrophobicContact CB-CZ2 4.21Å; L355-W406 HydrophobicContact CD1-CB 4.35Å; L355-W406 HydrophobicContact CD1-CD2 3.97Å; L355-W406 HydrophobicContact CD1-CE3 4.11Å; L355-W406 HydrophobicContact CD1-CG 4.09Å; L355-W406 HydrophobicContact CD2-CD2 4.21Å; L355-W406 HydrophobicContact CD2-CE3 4.13Å; L355-W406 HydrophobicContact CD2-CH2 3.92Å; L355-W406 HydrophobicContact CD2-CZ2 3.98Å; L355-W406 HydrophobicContact CD2-CZ3 3.99Å; L355-W406 HydrophobicContact CG-CD2 4.28Å; L355-W406 PolarHBondContact O-NE1 2.96Å; H356-W406 AromaticContact NE2-CD1 3.97Å; P360-W406 HydrophobicContact CB-CZ2 4.04Å; P360-W406 WeakPolarHBondContact O-CZ2 2.99Å; L363-W406 HydrophobicContact CD1-CH2 3.97Å; V369-W406 HydrophobicContact CB-CH2 4.38Å; V369-W406 HydrophobicContact CB-CZ3 4.16Å; V369-W406 HydrophobicContact CG2-CH2 3.61Å; V369-W406 HydrophobicContact CG2-CZ3 3.74Å; F386-W406 HydrophobicContact CB-CE3 3.94Å; F386-W406 HydrophobicContact CB-CZ3 4.17Å; I387-W406 VanDerWaalsContact C-CE3 3.47Å; A388-W406 HydrophobicContact CB-CE3 4.3Å; A388-W406 HydrophobicContact CB-CH2 3.79Å; A388-W406 HydrophobicContact CB-CZ2 4.25Å; A388-W406 HydrophobicContact CB-CZ3 3.83Å; A388-W406 VanDerWaalsContact N-CZ3 3.32Å; V404-W406 HydrophobicContact CG2-CZ2 3.94Å
407L93.1Very high76.5Confident0 Ų046.4 Ų46.40%023%0.227CC..EExtended strand (participates in β ladder)trans-107.8124.6177-165.276.1000109.6W260 A265 I268 I269 P311 F386 I387 V409W260-L407 HydrophobicContact CH2-CD2 4.18Å; W260-L407 HydrophobicContact CZ3-CD2 4.04Å; A265-L407 HydrophobicContact CB-CB 4.14Å; A265-L407 HydrophobicContact CB-CD1 4.03Å; I268-L407 HydrophobicContact CB-CD1 4.47Å; I268-L407 HydrophobicContact CB-CD2 4.49Å; I268-L407 HydrophobicContact CD1-CD2 4.3Å; I268-L407 HydrophobicContact CG2-CD1 4.34Å; I268-L407 HydrophobicContact CG2-CD2 3.81Å; I269-L407 HydrophobicContact CD1-CD1 3.99Å; I269-L407 HydrophobicContact CG1-CD1 3.78Å; P311-L407 HydrophobicContact CB-CD1 3.66Å; P311-L407 HydrophobicContact CB-CD2 3.83Å; P311-L407 HydrophobicContact CB-CG 3.74Å; P311-L407 HydrophobicContact CG-CD1 4.16Å; P311-L407 HydrophobicContact CG-CD2 4.45Å; F386-L407 CarbonylContact C-O 3.56Å; F386-L407 VanDerWaalsContact CA-O 3.3Å; F386-L407 WeakPolarHBondContact CA-O 3.39Å; I387-L407 HydrophobicContact CB-CB 4.44Å; I387-L407 PolarHBondContact N-O 3.16Å; I387-L407 PolarHBondContact O-N 2.83Å; L407-V409 HydrophobicContact CD2-CG2 3.82Å; L407-V409 HydrophobicContact CG-CG2 4.1Å
408A93.2Very high77.8Confident0 Ų048 Ų480%024%0.236CC..EExtended strand (participates in β ladder)trans-94.9125.117200000110.3L312 V314 L348 Y384 A385 F386L312-A408 HydrophobicContact CB-CB 4.21Å; L312-A408 PolarHBondContact N-O 3.42Å; L312-A408 PolarHBondContact O-N 3.2Å; V314-A408 HydrophobicContact CG2-CB 4.16Å; L348-A408 HydrophobicContact CD2-CB 3.62Å; Y384-A408 HydrophobicContact CD1-CB 4.26Å; Y384-A408 HydrophobicContact CG-CB 4.23Å; A385-A408 CarbonylContact O-C 3.58Å; A385-A408 WeakPolarHBondContact O-CA 3.4Å; F386-A408 HydrophobicContact CD1-CB 3.84Å; F386-A408 HydrophobicContact CE1-CB 3.72Å
409V92.2Very high78.8Confident2 Ų248.7 Ų48.71%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-125121-176.1-177.90000109.7L307 P311 Y384 A385 I387 L407 S411 F412L307-V409 HydrophobicContact CD2-CG1 3.8Å; L307-V409 HydrophobicContact CD2-CG2 4.01Å; P311-V409 HydrophobicContact CB-CG2 4.29Å; Y384-V409 WeakPolarHBondContact CA-O 3.46Å; A385-V409 PolarHBondContact N-O 3.06Å; A385-V409 PolarHBondContact O-N 2.99Å; I387-V409 HydrophobicContact CD1-CB 4.45Å; I387-V409 HydrophobicContact CD1-CG2 3.72Å; I387-V409 HydrophobicContact CG1-CG2 4.36Å; L407-V409 HydrophobicContact CD2-CG2 3.82Å; L407-V409 HydrophobicContact CG-CG2 4.1Å; V409-S411 VanDerWaalsContact CG1-O 3.3Å; V409-S411 WeakPolarHBondContact CG1-O 3.35Å; V409-F412 HydrophobicContact CB-CE1 4.49Å; V409-F412 HydrophobicContact CB-CE2 4.34Å; V409-F412 HydrophobicContact CB-CZ 3.96Å; V409-F412 HydrophobicContact CG1-CD1 4.27Å; V409-F412 HydrophobicContact CG1-CD2 4.29Å; V409-F412 HydrophobicContact CG1-CE1 3.8Å; V409-F412 HydrophobicContact CG1-CE2 3.83Å; V409-F412 HydrophobicContact CG1-CZ 3.58Å; V409-F412 HydrophobicContact CG2-CZ 4.43Å
410K89.9Confident79.4Confident85 Ų8548.5 Ų48.537%0.3726%0.258SS..SBendtrans-75.6-37.6-177.9-179.1162.5158.2-124.80112.9E309 Y384 A428E309-K410 VanDerWaalsContact CD-NZ 3.26Å; E309-K410 IonicContact OE1-NZ 3.77Å; E309-K410 PolarHBondContact OE1-NZ 3.33Å; E309-K410 WeakPolarHBondContact OE2-CD 3.22Å; E309-K410 IonicContact OE2-NZ 2.73Å; E309-K410 PolarHBondContact OE2-NZ 3.43Å; Y384-K410 HydrophobicContact CD1-CB 3.88Å; Y384-K410 HydrophobicContact CE1-CB 3.8Å; Y384-K410 HydrophobicContact CE1-CD 4.37Å; Y384-K410 HydrophobicContact CE1-CG 4.45Å; K410-A428 PolarHBondContact O-N 3.16Å
411S90.7Very high80.1Confident1 Ų144.2 Ų44.21%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-159.8162.2-176.154.90000112.4S308 V409 H425 L426S308-S411 WeakPolarHBondContact OG-CB 3.29Å; S308-S411 PolarHBondContact OG-O 2.96Å; S308-S411 PolarHBondContact OG-OG 3.22Å; V409-S411 VanDerWaalsContact CG1-O 3.3Å; V409-S411 WeakPolarHBondContact CG1-O 3.35Å; S411-H425 WeakPolarHBondContact CB-CE1 3.29Å; S411-H425 VanDerWaalsContact CB-NE2 3.26Å; S411-H425 WeakPolarHBondContact CB-NE2 3.23Å; S411-H425 PolarHBondContact OG-CE1 3.23Å; S411-H425 PolarHBondContact OG-NE2 2.73Å; S411-L426 CarbonylContact C-O 3.51Å; S411-L426 WeakPolarHBondContact CA-O 3.18Å; S411-L426 VanDerWaalsContact CB-O 3.3Å; S411-L426 WeakPolarHBondContact CB-O 3.2Å
412F90.2Very high80.8Confident4 Ų445.8 Ų45.82%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-125.1143.5173.5-56.8-95.3000110F305 R306 L307 S308 A385 I387 V409 V414 H425 L426 L431F305-F412 HydrophobicContact CB-CD1 4.2Å; F305-F412 HydrophobicContact CD1-CB 4.17Å; F305-F412 HydrophobicContact CD1-CD1 4.4Å; F305-F412 HydrophobicContact CD1-CG 4.24Å; R306-F412 CarbonylContact O-C 3.52Å; R306-F412 VanDerWaalsContact O-CA 3.28Å; R306-F412 WeakPolarHBondContact O-CA 3.44Å; L307-F412 HydrophobicContact CD2-CD1 3.95Å; L307-F412 HydrophobicContact CD2-CE1 3.69Å; S308-F412 WeakPolarHBondContact OG-CA 3.45Å; S308-F412 PolarHBondContact OG-N 2.94Å; A385-F412 HydrophobicContact CB-CE2 4.34Å; I387-F412 HydrophobicContact CD1-CE1 4.2Å; I387-F412 HydrophobicContact CD1-CZ 3.88Å; V409-F412 HydrophobicContact CB-CE1 4.49Å; V409-F412 HydrophobicContact CB-CE2 4.34Å; V409-F412 HydrophobicContact CB-CZ 3.96Å; V409-F412 HydrophobicContact CG1-CD1 4.27Å; V409-F412 HydrophobicContact CG1-CD2 4.29Å; V409-F412 HydrophobicContact CG1-CE1 3.8Å; V409-F412 HydrophobicContact CG1-CE2 3.83Å; V409-F412 HydrophobicContact CG1-CZ 3.58Å; V409-F412 HydrophobicContact CG2-CZ 4.43Å; F412-V414 HydrophobicContact CB-CG2 3.8Å; F412-H425 CarbonylContact O-C 3.5Å; F412-H425 WeakPolarHBondContact O-CA 3.15Å; F412-L426 PolarHBondContact N-O 2.85Å; F412-L426 PolarHBondContact O-N 2.79Å; F412-L431 HydrophobicContact CD2-CD1 3.43Å; F412-L431 VanDerWaalsContact CD2-CD1 3.43Å; F412-L431 HydrophobicContact CE2-CD1 3.55Å; F412-L431 HydrophobicContact CG-CD1 4.5Å
413L91Very high81.9Confident42 Ų4242.1 Ų42.122%0.2224%0.236CC..EExtended strand (participates in β ladder)trans-91.3106.9163-173.863.4000108.1R306 S423 H425R306-L413 HydrophobicContact CB-CB 4.31Å; R306-L413 PolarHBondContact N-O 2.76Å; R306-L413 PolarHBondContact O-N 2.9Å; L413-S423 WeakPolarHBondContact CD1-OG 3.32Å; L413-S423 WeakPolarHBondContact CD2-OG 3.28Å; L413-S423 WeakPolarHBondContact CG-OG 3.39Å; L413-H425 HydrophobicContact CD1-CB 4.49Å
414V88.2Confident82.6Confident1 Ų147.4 Ų47.41%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-103.7126.3-171.2-174.70000110.8N304 F305 F412 W416 S423 R424 L426N304-V414 CarbonylContact O-C 3.3Å; N304-V414 WeakPolarHBondContact O-CA 3.09Å; F305-V414 HydrophobicContact CD1-CB 4.46Å; F305-V414 HydrophobicContact CD1-CG1 4.26Å; F305-V414 HydrophobicContact CD1-CG2 3.43Å; F305-V414 VanDerWaalsContact CD1-CG2 3.43Å; F305-V414 HydrophobicContact CD2-CG1 4.32Å; F305-V414 HydrophobicContact CE1-CB 4.4Å; F305-V414 HydrophobicContact CE1-CG1 3.93Å; F305-V414 HydrophobicContact CE1-CG2 3.52Å; F305-V414 HydrophobicContact CE2-CG1 3.99Å; F305-V414 HydrophobicContact CG-CG1 4.43Å; F305-V414 HydrophobicContact CG-CG2 4.11Å; F305-V414 HydrophobicContact CZ-CG1 3.77Å; F305-V414 HydrophobicContact CZ-CG2 4.24Å; F412-V414 HydrophobicContact CB-CG2 3.8Å; V414-W416 HydrophobicContact CG1-CD2 4.01Å; V414-W416 HydrophobicContact CG1-CG 4.38Å; V414-W416 HydrophobicContact CG1-CZ2 3.97Å; V414-S423 CarbonylContact O-C 3.53Å; V414-S423 VanDerWaalsContact O-CA 3.27Å; V414-S423 WeakPolarHBondContact O-CA 3.47Å; V414-R424 PolarHBondContact N-O 2.87Å; V414-R424 PolarHBondContact O-N 2.78Å; V414-L426 HydrophobicContact CB-CD1 4.04Å; V414-L426 HydrophobicContact CB-CG 4.38Å; V414-L426 HydrophobicContact CG2-CB 4.32Å; V414-L426 HydrophobicContact CG2-CD1 3.72Å; V414-L426 HydrophobicContact CG2-CG 4.03Å
415K86.5Confident82.8Confident124 Ų12450.9 Ų50.954%0.53927%0.27SS..EExtended strand (participates in β ladder)trans-108.9110.1169.4-174.4-179.2179.1-176.60108.7A303 N304A303-K415 WeakPolarHBondContact CA-O 3.35Å; N304-K415 HydrophobicContact CB-CB 4.34Å; N304-K415 PolarHBondContact N-O 2.87Å; N304-K415 PolarHBondContact O-N 3.15Å
416W81.3Confident82.7Confident12 Ų1250.5 Ų50.55%0.04527%0.267CS..  trans-77.5148.8176.5-65107.4000111.5A303 F305 V414 S419 L426 F436 Y439A303-W416 HydrophobicContact CB-CE3 3.63Å; A303-W416 HydrophobicContact CB-CZ3 3.87Å; F305-W416 HydrophobicContact CZ-CH2 4.06Å; F305-W416 HydrophobicContact CZ-CZ2 4.44Å; F305-W416 HydrophobicContact CZ-CZ3 4.44Å; V414-W416 HydrophobicContact CG1-CD2 4.01Å; V414-W416 HydrophobicContact CG1-CG 4.38Å; V414-W416 HydrophobicContact CG1-CZ2 3.97Å; W416-S419 WeakPolarHBondContact O-CB 3.43Å; W416-S419 PolarHBondContact O-N 3.05Å; W416-L426 HydrophobicContact CZ2-CD1 4.37Å; W416-F436 AromaticContact CH2-CD2 3.42Å; W416-F436 HydrophobicContact CH2-CD2 3.42Å; W416-F436 VanDerWaalsContact CH2-CD2 3.42Å; W416-F436 AromaticContact CH2-CE2 3.44Å; W416-F436 HydrophobicContact CH2-CE2 3.44Å; W416-F436 VanDerWaalsContact CH2-CE2 3.44Å; W416-F436 HydrophobicContact CH2-CG 4.19Å; W416-F436 HydrophobicContact CH2-CZ 4.29Å; W416-F436 HydrophobicContact CZ2-CD2 4.28Å; W416-F436 HydrophobicContact CZ3-CD2 4.27Å; W416-F436 AromaticContact CZ3-CE2 3.84Å; W416-F436 HydrophobicContact CZ3-CE2 3.84Å; W416-F436 HydrophobicContact CZ3-CZ 4.4Å; W416-Y439 HydrophobicContact CB-CD1 3.77Å; W416-Y439 HydrophobicContact CB-CE1 3.97Å; W416-Y439 AromaticContact CD1-CD1 3.24Å; W416-Y439 AromaticContact CD1-CE1 3.37Å; W416-Y439 AromaticContact CD1-CG 3.69Å; W416-Y439 AromaticContact CD1-CZ 3.97Å; W416-Y439 AromaticContact CD2-CD1 3.9Å; W416-Y439 HydrophobicContact CD2-CD1 3.9Å; W416-Y439 HydrophobicContact CD2-CG 4.12Å; W416-Y439 AromaticContact CE2-CG 3.89Å; W416-Y439 AromaticContact CG-CD1 3.35Å; W416-Y439 HydrophobicContact CG-CD1 3.35Å; W416-Y439 AromaticContact CG-CE1 3.77Å; W416-Y439 HydrophobicContact CG-CE1 3.77Å; W416-Y439 AromaticContact CG-CG 3.99Å; W416-Y439 HydrophobicContact CG-CG 3.99Å; W416-Y439 AromaticContact NE1-CD1 3.71Å; W416-Y439 AromaticContact NE1-CG 3.63Å
417P72.6Confident82.5Confident18 Ų1852.6 Ų52.612%0.11728%0.281CS..THydrogen-bonded Turntrans-60.5143.4172.424-29.2000109.9L288 L301 S419 L443L288-P417 HydrophobicContact CD1-CG 3.95Å; L301-P417 HydrophobicContact CB-CB 3.71Å; L301-P417 HydrophobicContact CB-CG 3.68Å; L301-P417 HydrophobicContact CD1-CB 4.5Å; L301-P417 HydrophobicContact CD1-CG 4.46Å; L301-P417 HydrophobicContact CD2-CB 4.04Å; L301-P417 HydrophobicContact CG-CB 4.29Å; P417-S419 PolarHBondContact O-N 3.07Å; P417-L443 HydrophobicContact CG-CD2 4.38Å
418N71.2Confident81.9Confident124 Ų12452.7 Ų52.766%0.66328%0.281SS*.THydrogen-bonded Turntrans59.67.6180-54.9-27.4000116.4S420N418-S420 PolarHBondContact O-N 3.32Å
419S69Low81.2Confident34 Ų3455.5 Ų55.524%0.23830%0.296CS..  trans-70.8120.1174-177.10000110.5W416 P417 T421W416-S419 WeakPolarHBondContact O-CB 3.43Å; W416-S419 PolarHBondContact O-N 3.05Å; P417-S419 PolarHBondContact O-N 3.07Å; S419-T421 PolarHBondContact O-N 3.43Å; S419-T421 PolarHBondContact OG-N 3.02Å; S419-T421 PolarHBondContact OG-O 2.86Å; S419-T421 PolarHBondContact OG-OG1 2.81Å
420S60.3Low80.7Confident125 Ų12557.9 Ų57.987%0.87431%0.308SS*.SBendtrans-69.3-21.3170.958.80000112.5N418N418-S420 PolarHBondContact O-N 3.32Å
421T60.8Low79.9Confident79 Ų7954.6 Ų54.649%0.48530%0.295SS..SBendtrans-86144.8178.559.50000111.4S419S419-T421 PolarHBondContact O-N 3.43Å; S419-T421 PolarHBondContact OG-N 3.02Å; S419-T421 PolarHBondContact OG-O 2.86Å; S419-T421 PolarHBondContact OG-OG1 2.81Å
422N68.9Low79.1Confident154 Ų15456.7 Ų56.782%0.82430%0.303SS*.  trans-52.7150167.4-79.7-25.2000110.2
423S83.1Confident78.3Confident51 Ų5161.5 Ų61.536%0.35733%0.329SS..  trans-38.9139.8179.552.70000114.5L413 V414L413-S423 WeakPolarHBondContact CD1-OG 3.32Å; L413-S423 WeakPolarHBondContact CD2-OG 3.28Å; L413-S423 WeakPolarHBondContact CG-OG 3.39Å; V414-S423 CarbonylContact O-C 3.53Å; V414-S423 VanDerWaalsContact O-CA 3.27Å; V414-S423 WeakPolarHBondContact O-CA 3.47Å
424R86.5Confident77.1Confident120 Ų12060.3 Ų60.345%0.45333%0.327SS..EExtended strand (participates in β ladder)trans-102.1135.4179.2-176.8175.4173.9146.93.6111.3V414 L426 Y435V414-R424 PolarHBondContact N-O 2.87Å; V414-R424 PolarHBondContact O-N 2.78Å; R424-L426 HydrophobicContact CG-CD2 3.99Å; R424-Y435 WeakPolarHBondContact CD-OH 3.25Å; R424-Y435 PolarHBondContact NE-OH 3.05Å; R424-Y435 PolarHBondContact NH1-OH 3.23Å
425H88.7Confident76.1Confident83 Ų8361.4 Ų61.438%0.38433%0.331SS..EExtended strand (participates in β ladder)trans-76.2123.3171.5-169.7-91.3000110.3S308 S411 F412 L413S308-H425 PolarHBondContact OG-NE2 2.92Å; S411-H425 WeakPolarHBondContact CB-CE1 3.29Å; S411-H425 VanDerWaalsContact CB-NE2 3.26Å; S411-H425 WeakPolarHBondContact CB-NE2 3.23Å; S411-H425 PolarHBondContact OG-CE1 3.23Å; S411-H425 PolarHBondContact OG-NE2 2.73Å; F412-H425 CarbonylContact O-C 3.5Å; F412-H425 WeakPolarHBondContact O-CA 3.15Å; L413-H425 HydrophobicContact CD1-CB 4.49Å
426L86.9Confident75.1Confident0 Ų056.7 Ų56.70%031%0.311CS..EExtended strand (participates in β ladder)trans-120.1121.1176.5-59.1-174.7000109S411 F412 V414 W416 R424 D430 L431 Y435S411-L426 CarbonylContact C-O 3.51Å; S411-L426 WeakPolarHBondContact CA-O 3.18Å; S411-L426 VanDerWaalsContact CB-O 3.3Å; S411-L426 WeakPolarHBondContact CB-O 3.2Å; F412-L426 PolarHBondContact N-O 2.85Å; F412-L426 PolarHBondContact O-N 2.79Å; V414-L426 HydrophobicContact CB-CD1 4.04Å; V414-L426 HydrophobicContact CB-CG 4.38Å; V414-L426 HydrophobicContact CG2-CB 4.32Å; V414-L426 HydrophobicContact CG2-CD1 3.72Å; V414-L426 HydrophobicContact CG2-CG 4.03Å; W416-L426 HydrophobicContact CZ2-CD1 4.37Å; R424-L426 HydrophobicContact CG-CD2 3.99Å; L426-D430 HydrophobicContact CB-CB 4.3Å; L426-D430 HydrophobicContact CD2-CB 4.34Å; L426-L431 HydrophobicContact CB-CD2 4.32Å; L426-L431 HydrophobicContact CB-CG 4.32Å; L426-L431 HydrophobicContact CD1-CD2 3.86Å; L426-Y435 HydrophobicContact CD1-CD1 3.48Å; L426-Y435 VanDerWaalsContact CD1-CD1 3.48Å; L426-Y435 HydrophobicContact CD1-CE1 3.9Å; L426-Y435 HydrophobicContact CD1-CG 4.4Å; L426-Y435 HydrophobicContact CD2-CD1 3.32Å; L426-Y435 HydrophobicContact CD2-CD2 4.24Å; L426-Y435 HydrophobicContact CD2-CE1 3.43Å; L426-Y435 VanDerWaalsContact CD2-CE1 3.43Å; L426-Y435 HydrophobicContact CD2-CE2 4.31Å; L426-Y435 HydrophobicContact CD2-CG 3.78Å; L426-Y435 HydrophobicContact CG-CD1 4.07Å; L426-Y435 HydrophobicContact CG-CE1 4.3Å
427T87.6Confident73.9Confident46 Ų4658.7 Ų58.728%0.28232%0.322SS..EExtended strand (participates in β ladder)trans-73.7163.9172.265.30000110.8I429 D430 L431T427-I429 PolarHBondContact O-N 3.38Å; T427-I429 PolarHBondContact OG1-N 3.35Å; T427-D430 WeakPolarHBondContact CB-OD2 3.45Å; T427-D430 PolarHBondContact N-OD2 3.27Å; T427-D430 WeakPolarHBondContact O-CB 3.21Å; T427-D430 PolarHBondContact O-N 3.47Å; T427-D430 VanDerWaalsContact O-N 3.08Å; T427-D430 PolarHBondContact OG1-N 2.83Å; T427-D430 PolarHBondContact OG1-OD2 2.54Å; T427-L431 PolarHBondContact O-N 3.4Å; T427-L431 VanDerWaalsContact O-N 3.08Å
428A80.5Confident73.3Confident2 Ų264.6 Ų64.62%0.01735%0.346CS..Hα-helixtrans-52.1-38.7169.200000111.9Y370 Y384 A385 K410 L431 Y432Y370-A428 HydrophobicContact CE1-CB 4.16Å; Y370-A428 WeakPolarHBondContact CE1-O 3.34Å; Y384-A428 VanDerWaalsContact C-CB 3.45Å; A385-A428 HydrophobicContact CB-CB 3.97Å; A385-A428 VanDerWaalsContact N-CB 3.28Å; K410-A428 PolarHBondContact O-N 3.16Å; A428-L431 PolarHBondContact O-N 2.99Å; A428-Y432 WeakPolarHBondContact O-CB 3.45Å; A428-Y432 PolarHBondContact O-N 3.2Å
429I79.5Confident72.8Confident59 Ų5961.1 Ų61.130%0.30332%0.324SS..Hα-helixtrans-67.1-40.9177.8-61.7171.6000111.3L381 T427 L431 Y432 N433L381-I429 HydrophobicContact CB-CG1 4.33Å; L381-I429 HydrophobicContact CD1-CG1 4.16Å; L381-I429 HydrophobicContact CD1-CG2 4.33Å; T427-I429 PolarHBondContact O-N 3.38Å; T427-I429 PolarHBondContact OG1-N 3.35Å; I429-L431 VanDerWaalsContact C-N 3.32Å; I429-L431 PolarHBondContact O-N 2.64Å; I429-Y432 PolarHBondContact O-N 2.77Å; I429-N433 WeakPolarHBondContact CG2-ND2 3.24Å; I429-N433 WeakPolarHBondContact O-CB 3.33Å; I429-N433 PolarHBondContact O-N 3.31Å; I429-N433 PolarHBondContact O-ND2 3.47Å
430D80.7Confident72Confident51 Ų5160.3 Ų60.327%0.27332%0.316SS..Hα-helixtrans-61.4-43.5176.2-65.1-56.2000111.2L426 T427 N433 Y435L426-D430 HydrophobicContact CB-CB 4.3Å; L426-D430 HydrophobicContact CD2-CB 4.34Å; T427-D430 WeakPolarHBondContact CB-OD2 3.45Å; T427-D430 PolarHBondContact N-OD2 3.27Å; T427-D430 WeakPolarHBondContact O-CB 3.21Å; T427-D430 PolarHBondContact O-N 3.47Å; T427-D430 VanDerWaalsContact O-N 3.08Å; T427-D430 PolarHBondContact OG1-N 2.83Å; T427-D430 PolarHBondContact OG1-OD2 2.54Å; D430-N433 PolarHBondContact O-N 3.33Å; D430-Y435 WeakPolarHBondContact O-CB 3.22Å; D430-Y435 PolarHBondContact O-N 3.17Å
431L74.7Confident71.7Confident17 Ų1760.1 Ų60.19%0.08930%0.302CS..Hα-helixtrans-64.3-45.2177.4-68.7174.5000111.6F305 Y370 F412 L426 T427 A428 I429 N433 G434F305-L431 HydrophobicContact CE1-CD2 4.2Å; Y370-L431 HydrophobicContact CE1-CB 4.5Å; Y370-L431 WeakPolarHBondContact OH-CB 3.38Å; F412-L431 HydrophobicContact CD2-CD1 3.43Å; F412-L431 VanDerWaalsContact CD2-CD1 3.43Å; F412-L431 HydrophobicContact CE2-CD1 3.55Å; F412-L431 HydrophobicContact CG-CD1 4.5Å; L426-L431 HydrophobicContact CB-CD2 4.32Å; L426-L431 HydrophobicContact CB-CG 4.32Å; L426-L431 HydrophobicContact CD1-CD2 3.86Å; T427-L431 PolarHBondContact O-N 3.4Å; T427-L431 VanDerWaalsContact O-N 3.08Å; A428-L431 PolarHBondContact O-N 2.99Å; I429-L431 VanDerWaalsContact C-N 3.32Å; I429-L431 PolarHBondContact O-N 2.64Å; L431-N433 VanDerWaalsContact C-N 3.34Å; L431-N433 PolarHBondContact O-N 3.18Å; L431-G434 PolarHBondContact O-N 2.88Å; L431-G434 VanDerWaalsContact O-N 3.17Å
432Y73.6Confident71.3Confident45 Ų4562 Ų6218%0.17631%0.308CS..Hα-helixtrans-58.1-44.2175.3173.3-91.1000112.2Y370 L381 A428 I429 G434 V517Y370-Y432 HydrophobicContact CD2-CD2 4.35Å; Y370-Y432 HydrophobicContact CG-CD2 4.08Å; L381-Y432 HydrophobicContact CD1-CD1 3.34Å; L381-Y432 HydrophobicContact CD1-CD2 4.3Å; L381-Y432 HydrophobicContact CD1-CE1 3.8Å; L381-Y432 HydrophobicContact CD1-CG 3.61Å; L381-Y432 HydrophobicContact CD2-CD1 4.36Å; L381-Y432 HydrophobicContact CD2-CD2 3.91Å; L381-Y432 HydrophobicContact CD2-CE1 4.45Å; L381-Y432 HydrophobicContact CD2-CE2 4.02Å; L381-Y432 HydrophobicContact CD2-CG 4.07Å; L381-Y432 HydrophobicContact CG-CD1 4.38Å; L381-Y432 HydrophobicContact CG-CG 4.48Å; A428-Y432 WeakPolarHBondContact O-CB 3.45Å; A428-Y432 PolarHBondContact O-N 3.2Å; I429-Y432 PolarHBondContact O-N 2.77Å; Y432-G434 PolarHBondContact O-N 3.47Å; Y432-V517 HydrophobicContact CE2-CB 4.3Å; Y432-V517 HydrophobicContact CE2-CG1 4.02Å; Y432-V517 HydrophobicContact CE2-CG2 4.28Å
433N72.7Confident70.4Confident104 Ų10455.7 Ų55.756%0.55627%0.274SS*.THydrogen-bonded Turntrans-72.114.9179.4-73.2-32.2000113.8I429 D430 L431 Y435I429-N433 WeakPolarHBondContact CG2-ND2 3.24Å; I429-N433 WeakPolarHBondContact O-CB 3.33Å; I429-N433 PolarHBondContact O-N 3.31Å; I429-N433 PolarHBondContact O-ND2 3.47Å; D430-N433 PolarHBondContact O-N 3.33Å; L431-N433 VanDerWaalsContact C-N 3.34Å; L431-N433 PolarHBondContact O-N 3.18Å; N433-Y435 VanDerWaalsContact C-N 3.35Å; N433-Y435 PolarHBondContact O-N 3.03Å
434G65.8Low68.6Low18 Ų1859 Ų5919%0.18629%0.294CS..THydrogen-bonded Turntrans74.721.717400000113.8L431 Y432 F436 L437 K438L431-G434 PolarHBondContact O-N 2.88Å; L431-G434 VanDerWaalsContact O-N 3.17Å; Y432-G434 PolarHBondContact O-N 3.47Å; G434-F436 PolarHBondContact O-N 3.42Å; G434-F436 VanDerWaalsContact O-N 3.1Å; G434-L437 WeakPolarHBondContact O-CB 3.17Å; G434-L437 PolarHBondContact O-N 2.86Å; G434-K438 PolarHBondContact O-N 3.39Å
435Y67.9Low66.7Low24 Ų2456.2 Ų56.29%0.09429%0.293CS..Hα-helixtrans-55.3-31.2174-171.8-81.7000111.8R424 L426 D430 N433 L437 K438 Y439R424-Y435 WeakPolarHBondContact CD-OH 3.25Å; R424-Y435 PolarHBondContact NE-OH 3.05Å; R424-Y435 PolarHBondContact NH1-OH 3.23Å; L426-Y435 HydrophobicContact CD1-CD1 3.48Å; L426-Y435 VanDerWaalsContact CD1-CD1 3.48Å; L426-Y435 HydrophobicContact CD1-CE1 3.9Å; L426-Y435 HydrophobicContact CD1-CG 4.4Å; L426-Y435 HydrophobicContact CD2-CD1 3.32Å; L426-Y435 HydrophobicContact CD2-CD2 4.24Å; L426-Y435 HydrophobicContact CD2-CE1 3.43Å; L426-Y435 VanDerWaalsContact CD2-CE1 3.43Å; L426-Y435 HydrophobicContact CD2-CE2 4.31Å; L426-Y435 HydrophobicContact CD2-CG 3.78Å; L426-Y435 HydrophobicContact CG-CD1 4.07Å; L426-Y435 HydrophobicContact CG-CE1 4.3Å; D430-Y435 WeakPolarHBondContact O-CB 3.22Å; D430-Y435 PolarHBondContact O-N 3.17Å; N433-Y435 VanDerWaalsContact C-N 3.35Å; N433-Y435 PolarHBondContact O-N 3.03Å; Y435-L437 VanDerWaalsContact C-N 3.28Å; Y435-L437 PolarHBondContact O-N 2.79Å; Y435-K438 PolarHBondContact O-N 3.25Å; Y435-Y439 AromaticContact CE1-CD2 3.68Å; Y435-Y439 HydrophobicContact CE1-CD2 3.68Å; Y435-Y439 HydrophobicContact CE1-CE2 4.07Å; Y435-Y439 AromaticContact CZ-CD2 3.82Å; Y435-Y439 AromaticContact CZ-CE2 3.85Å; Y435-Y439 WeakPolarHBondContact OH-CD2 3.45Å; Y435-Y439 WeakPolarHBondContact OH-CE2 3.02Å
436F64Low64.2Low25 Ų2554.7 Ų54.711%0.1130%0.295CS..Hα-helixtrans-51.6-44.5171.3-166.7-96000112.7L286 L288 F305 W416 G434 Y439 I440L286-F436 HydrophobicContact CD2-CE1 4.49Å; L286-F436 HydrophobicContact CD2-CE2 3.2Å; L286-F436 HydrophobicContact CD2-CZ 3.21Å; L288-F436 HydrophobicContact CD2-CZ 4.31Å; F305-F436 HydrophobicContact CZ-CD2 4.15Å; F305-F436 AromaticContact CZ-CE2 3.91Å; F305-F436 HydrophobicContact CZ-CE2 3.91Å; W416-F436 AromaticContact CH2-CD2 3.42Å; W416-F436 HydrophobicContact CH2-CD2 3.42Å; W416-F436 VanDerWaalsContact CH2-CD2 3.42Å; W416-F436 AromaticContact CH2-CE2 3.44Å; W416-F436 HydrophobicContact CH2-CE2 3.44Å; W416-F436 VanDerWaalsContact CH2-CE2 3.44Å; W416-F436 HydrophobicContact CH2-CG 4.19Å; W416-F436 HydrophobicContact CH2-CZ 4.29Å; W416-F436 HydrophobicContact CZ2-CD2 4.28Å; W416-F436 HydrophobicContact CZ3-CD2 4.27Å; W416-F436 AromaticContact CZ3-CE2 3.84Å; W416-F436 HydrophobicContact CZ3-CE2 3.84Å; W416-F436 HydrophobicContact CZ3-CZ 4.4Å; G434-F436 PolarHBondContact O-N 3.42Å; G434-F436 VanDerWaalsContact O-N 3.1Å; F436-Y439 PolarHBondContact O-N 2.93Å; F436-I440 HydrophobicContact CD1-CD1 3.68Å; F436-I440 HydrophobicContact CE1-CD1 3.2Å; F436-I440 HydrophobicContact CE1-CG1 4.32Å; F436-I440 HydrophobicContact CZ-CD1 3.84Å; F436-I440 PolarHBondContact O-N 2.99Å
437L56Low61.5Low53 Ų5359.2 Ų59.228%0.27733%0.327SS..Hα-helixtrans-67.7-39.9-178.5-62.8170.8000112.1G434 Y435 Y439 I440 H441 W496G434-L437 WeakPolarHBondContact O-CB 3.17Å; G434-L437 PolarHBondContact O-N 2.86Å; Y435-L437 VanDerWaalsContact C-N 3.28Å; Y435-L437 PolarHBondContact O-N 2.79Å; L437-Y439 PolarHBondContact O-N 3.49Å; L437-I440 PolarHBondContact O-N 2.91Å; L437-H441 PolarHBondContact O-CD2 2.81Å; L437-H441 PolarHBondContact O-N 3.2Å; L437-W496 HydrophobicContact CD2-CB 4.29Å; L437-W496 HydrophobicContact CD2-CG 4.15Å
438K60.3Low58.9Low142 Ų14261.7 Ų61.762%0.61735%0.346SS*.Hα-helixtrans-59.4-32.8-178-170.2172.5-178.6172.40112.4G434 Y435 L442G434-K438 PolarHBondContact O-N 3.39Å; Y435-K438 PolarHBondContact O-N 3.25Å; K438-L442 WeakPolarHBondContact O-CD1 3.47Å; K438-L442 WeakPolarHBondContact O-CG 3.26Å
439Y60.7Low56.9Low52 Ų5266 Ų6620%0.20437%0.372CS..Hα-helixtrans-84.2-32.2179.9-108.3-100.3000113.8W416 Y435 F436 L437 H441 L442W416-Y439 HydrophobicContact CB-CD1 3.77Å; W416-Y439 HydrophobicContact CB-CE1 3.97Å; W416-Y439 AromaticContact CD1-CD1 3.24Å; W416-Y439 AromaticContact CD1-CE1 3.37Å; W416-Y439 AromaticContact CD1-CG 3.69Å; W416-Y439 AromaticContact CD1-CZ 3.97Å; W416-Y439 AromaticContact CD2-CD1 3.9Å; W416-Y439 HydrophobicContact CD2-CD1 3.9Å; W416-Y439 HydrophobicContact CD2-CG 4.12Å; W416-Y439 AromaticContact CE2-CG 3.89Å; W416-Y439 AromaticContact CG-CD1 3.35Å; W416-Y439 HydrophobicContact CG-CD1 3.35Å; W416-Y439 AromaticContact CG-CE1 3.77Å; W416-Y439 HydrophobicContact CG-CE1 3.77Å; W416-Y439 AromaticContact CG-CG 3.99Å; W416-Y439 HydrophobicContact CG-CG 3.99Å; W416-Y439 AromaticContact NE1-CD1 3.71Å; W416-Y439 AromaticContact NE1-CG 3.63Å; Y435-Y439 AromaticContact CE1-CD2 3.68Å; Y435-Y439 HydrophobicContact CE1-CD2 3.68Å; Y435-Y439 HydrophobicContact CE1-CE2 4.07Å; Y435-Y439 AromaticContact CZ-CD2 3.82Å; Y435-Y439 AromaticContact CZ-CE2 3.85Å; Y435-Y439 WeakPolarHBondContact OH-CD2 3.45Å; Y435-Y439 WeakPolarHBondContact OH-CE2 3.02Å; F436-Y439 PolarHBondContact O-N 2.93Å; L437-Y439 PolarHBondContact O-N 3.49Å; Y439-H441 VanDerWaalsContact C-N 3.27Å; Y439-H441 PolarHBondContact O-N 3.27Å; Y439-L442 HydrophobicContact CD2-CD1 4.32Å; Y439-L442 HydrophobicContact CE2-CD1 4.35Å; Y439-L442 WeakPolarHBondContact O-CB 3.47Å; Y439-L442 PolarHBondContact O-N 3.09Å
440I53.8Low54.9Low16 Ų1665 Ų658%0.08237%0.367CS..Hα-helixtrans-62.9-38.5175.4-69.4175.4000110.8F436 L437 L442 L443 L450 V452F436-I440 HydrophobicContact CD1-CD1 3.68Å; F436-I440 HydrophobicContact CE1-CD1 3.2Å; F436-I440 HydrophobicContact CE1-CG1 4.32Å; F436-I440 HydrophobicContact CZ-CD1 3.84Å; F436-I440 PolarHBondContact O-N 2.99Å; L437-I440 PolarHBondContact O-N 2.91Å; I440-L442 PolarHBondContact O-N 3.04Å; I440-L443 PolarHBondContact O-N 3.39Å; I440-L450 HydrophobicContact CG2-CD1 4.38Å; I440-V452 HydrophobicContact CD1-CG2 3.99Å
441H52.8Low52.9Low122 Ų12265.9 Ų65.957%0.56537%0.369SS*.THydrogen-bonded Turntrans-66.7-16.3174.9-69.7-61.5000114.3L437 Y439L437-H441 PolarHBondContact O-CD2 2.81Å; L437-H441 PolarHBondContact O-N 3.2Å; Y439-H441 VanDerWaalsContact C-N 3.27Å; Y439-H441 PolarHBondContact O-N 3.27Å
442L52.1Low51Low117 Ų11767 Ų6761%0.61338%0.376SS*.THydrogen-bonded Turntrans-91-2.5178.8-68.4168.6000113.2K438 Y439 I440K438-L442 WeakPolarHBondContact O-CD1 3.47Å; K438-L442 WeakPolarHBondContact O-CG 3.26Å; Y439-L442 HydrophobicContact CD2-CD1 4.32Å; Y439-L442 HydrophobicContact CE2-CD1 4.35Å; Y439-L442 WeakPolarHBondContact O-CB 3.47Å; Y439-L442 PolarHBondContact O-N 3.09Å; I440-L442 PolarHBondContact O-N 3.04Å
443L51.6Low49.2Very low23 Ų2366.5 Ų66.512%0.1238%0.379CS..SBendtrans-71.6135.3176.8-70.8169.2000110.3L288 L301 P417 I440 S445 A446L288-L443 HydrophobicContact CD1-CD1 4.04Å; L301-L443 HydrophobicContact CD1-CD1 4.34Å; L301-L443 HydrophobicContact CD1-CD2 3.93Å; P417-L443 HydrophobicContact CG-CD2 4.38Å; I440-L443 PolarHBondContact O-N 3.39Å; L443-S445 PolarHBondContact O-N 3.36Å; L443-A446 PolarHBondContact O-N 3.26Å
444P45.2Very low47.4Very low120 Ų12063.3 Ų63.378%0.77936%0.363SS*.THydrogen-bonded Turntrans-68.419.9-164.5-20.233.4000117.9
445S45.6Very low45.9Very low61 Ų6166.2 Ų66.243%0.42738%0.377SS..THydrogen-bonded Turntrans-140.819177.858.60000113.1L443 S447L443-S445 PolarHBondContact O-N 3.36Å; S445-S447 PolarHBondContact O-N 2.84Å
446A35.4Very low44.4Very low51 Ų5171.6 Ų71.642%0.42141%0.407SS..  trans-77.456.6-179.900000112.9L443 L450L443-A446 PolarHBondContact O-N 3.26Å; A446-L450 HydrophobicContact CB-CD1 4.06Å
447S30.9Very low42.8Very low96 Ų9675.5 Ų75.567%0.67143%0.426SS*.SBendtrans-98.9113.7154.770.20000107.9S445S445-S447 PolarHBondContact O-N 2.84Å
448S34.1Very low41.6Very low97 Ų9781.6 Ų81.668%0.67845%0.453SS*.SBendtrans57.7111.9175.552.90000116.9
449T37.6Very low40.2Very low92 Ų9286.6 Ų86.656%0.56447%0.468SS*.  trans61.266.9160.251.90000117.6K451 P495T449-K451 PolarHBondContact O-N 3.47Å; T449-K451 VanDerWaalsContact O-N 3.08Å; T449-P495 HydrophobicContact CG2-CG 4.48Å
450L38.1Very low38.8Very low39 Ų3992.1 Ų92.120%0.20450%0.501CS..  trans-69.798.9157.5-98.1153.8000109.1I440 A446 V452I440-L450 HydrophobicContact CG2-CD1 4.38Å; A446-L450 HydrophobicContact CB-CD1 4.06Å; L450-V452 PolarHBondContact O-N 3.2Å
451K37.4Very low37.5Very low70 Ų7097 Ų9730%0.30454%0.537SS..  trans-74.4102.3166.9-72.5175.8172.5-176.70108.3T291 T449 S453 I493T291-K451 HydrophobicContact CG2-CB 3.86Å; T291-K451 WeakPolarHBondContact OG1-CB 3.27Å; T291-K451 PolarHBondContact OG1-N 3.27Å; T449-K451 PolarHBondContact O-N 3.47Å; T449-K451 VanDerWaalsContact O-N 3.08Å; K451-S453 PolarHBondContact O-N 3.26Å; K451-S453 VanDerWaalsContact O-N 3.12Å; K451-I493 HydrophobicContact CB-CG2 3.8Å; K451-I493 HydrophobicContact CD-CB 3.66Å; K451-I493 HydrophobicContact CD-CD1 3.92Å; K451-I493 HydrophobicContact CD-CG1 4.39Å; K451-I493 HydrophobicContact CD-CG2 3.62Å; K451-I493 WeakPolarHBondContact CE-O 3.25Å; K451-I493 HydrophobicContact CG-CB 4.16Å; K451-I493 HydrophobicContact CG-CG2 3.58Å
452V36.5Very low36.5Very low39 Ų39101.8 Ų101.824%0.23655%0.55CS.*  trans-67.4108.7171.5-178.40000107.7L288 I440 L450L288-V452 HydrophobicContact CD2-CG1 4.23Å; I440-V452 HydrophobicContact CD1-CG2 3.99Å; L450-V452 PolarHBondContact O-N 3.2Å
453S34.8Very low35.5Very low36 Ų36102.7 Ų102.725%0.25255%0.551SS.*  trans-118131.9165.543.80000107.9L289 K451L289-S453 WeakPolarHBondContact CB-O 3.35Å; L289-S453 WeakPolarHBondContact CD1-O 3.41Å; L289-S453 WeakPolarHBondContact CD1-OG 3.25Å; L289-S453 WeakPolarHBondContact CG-O 3.46Å; K451-S453 PolarHBondContact O-N 3.26Å; K451-S453 VanDerWaalsContact O-N 3.12Å
454V34.9Very low34.4Very low37 Ų37104.7 Ų104.722%0.22456%0.559CS.*  trans-96102.6177.4-177.30000106.4L286L286-V454 HydrophobicContact CD1-CG1 4.33Å; L286-V454 HydrophobicContact CD1-CG2 3.61Å
455V34.7Very low33.7Very low79 Ų79100.1 Ų100.148%0.47953%0.533SS..  trans-128.3130.6172.1-173.30000107.5C287 L289C287-V455 PolarHBondContact SG-O 3.44Å; L289-V455 HydrophobicContact CD1-CB 3.78Å; L289-V455 HydrophobicContact CD1-CG2 3.65Å
456N35Very low33.1Very low136 Ų136100.7 Ų100.773%0.72753%0.534SS*.  trans-102.8131171.6-148.76.1000108.3
457E31.5Very low32.9Very low107 Ų107104.8 Ų104.850%0.554%0.539SS..  trans-77.9139.3177.6-68.6-176.8133.600110.7N298N298-E457 PolarHBondContact ND2-OE1 3.11Å; N298-E457 PolarHBondContact ND2-OE2 3.35Å; N298-E457 PolarHBondContact OD1-OE1 3.21Å; N298-E457 VanDerWaalsContact OD1-OE1 3.13Å
458E30.9Very low33.1Very low182 Ų182104.9 Ų104.985%0.8553%0.525SS*.SBendtrans53.874.9157.3-59.1-169.3167.300118.7
459R31.1Very low33Very low246 Ų246102.9 Ų102.993%0.92850%0.504SS*.SBendtrans177.198.7131.2-94.2161.7-165.3-162.76.3108.4
460N30.2Very low32.7Very low169 Ų16998.5 Ų98.590%0.90448%0.477SS*.SBendtrans54.493176.6-67.9-16.5000115.8R462N460-R462 PolarHBondContact O-N 3.17Å
461S27.9Very low32.4Very low118 Ų11898.3 Ų98.383%0.82548%0.475SS*.  trans-55.3117.3178.453.10000115.7
462R30.1Very low32Very low223 Ų22395.6 Ų95.684%0.84246%0.463SS*.  trans-145.1126.1141.5-73.1-164.4176.2172-1.4109.9N460 F464N460-R462 PolarHBondContact O-N 3.17Å; R462-F464 PolarHBondContact O-N 3.34Å
463Q31.9Very low31.6Very low135 Ų135100 Ų10063%0.63148%0.476SS*.  trans-54.5123.4-177.7-78.4173.6-2500112.9G465Q463-G465 PolarHBondContact O-N 2.91Å
464F28.9Very low31.3Very low66 Ų66100.2 Ų100.229%0.28948%0.478SS..  trans-88.485.2150-76.2-86.6000107.8W260 Q261 P365 R462W260-F464 HydrophobicContact CB-CE1 3.53Å; W260-F464 HydrophobicContact CB-CZ 3.65Å; W260-F464 HydrophobicContact CG-CE1 4.11Å; W260-F464 HydrophobicContact CG-CZ 4.34Å; Q261-F464 HydrophobicContact CB-CZ 4.34Å; Q261-F464 HydrophobicContact CG-CE1 4.31Å; Q261-F464 HydrophobicContact CG-CE2 3.75Å; Q261-F464 HydrophobicContact CG-CZ 3.43Å; Q261-F464 VanDerWaalsContact CG-CZ 3.43Å; P365-F464 VanDerWaalsContact C-CE1 3.45Å; P365-F464 HydrophobicContact CB-CE1 4.36Å; P365-F464 WeakPolarHBondContact O-CD1 3.46Å; P365-F464 WeakPolarHBondContact O-CE1 2.98Å; R462-F464 PolarHBondContact O-N 3.34Å
465G30.4Very low31Very low23 Ų23104.8 Ų104.824%0.23750%0.501CS..  trans-81.9128.7169.300000108.8Q463 R467Q463-G465 PolarHBondContact O-N 2.91Å; G465-R467 PolarHBondContact O-N 3.19Å
466V33.2Very low30.7Very low74 Ų74106.8 Ų106.845%0.44852%0.518SS..  trans-65.696.4148.2-177.40000105.2W496V466-W496 HydrophobicContact CB-CH2 3.54Å; V466-W496 HydrophobicContact CB-CZ3 3.64Å; V466-W496 HydrophobicContact CG1-CH2 3.08Å; V466-W496 HydrophobicContact CG1-CZ2 3.82Å; V466-W496 HydrophobicContact CG1-CZ3 3.63Å; V466-W496 HydrophobicContact CG2-CH2 3.79Å; V466-W496 HydrophobicContact CG2-CZ3 4.05Å
467R31.3Very low30.3Very low137 Ų137104.5 Ų104.552%0.51751%0.513SS..  trans-90.3-20.1-169.2-76.9-173.9175.6179.3-2.5113.3G465G465-R467 PolarHBondContact O-N 3.19Å
468Y34.8Very low30.2Very low97 Ų97104.9 Ų104.938%0.3853%0.527SS..  trans-147.9129.5-172.8-59.4-76.9000110.2T502Y468-T502 HydrophobicContact CD1-CG2 4.42Å
469F31.9Very low29.8Very low55 Ų55102.5 Ų102.524%0.24153%0.525CS..  trans-101.3126150.4-135.3-95.9000104.6W496 L499 P501 T502 V518F469-W496 AromaticContact CD2-CE2 3.79Å; F469-W496 AromaticContact CD2-CZ2 3.68Å; F469-W496 HydrophobicContact CD2-CZ2 3.68Å; F469-W496 AromaticContact CD2-NE1 3.49Å; F469-W496 AromaticContact CE2-CZ2 3.85Å; F469-W496 HydrophobicContact CE2-CZ2 3.85Å; F469-W496 AromaticContact CE2-NE1 3.62Å; F469-L499 HydrophobicContact CB-CB 3.83Å; F469-L499 HydrophobicContact CB-CD1 4.35Å; F469-P501 CarbonylContact O-C 3.57Å; F469-P501 VanDerWaalsContact O-CA 3.29Å; F469-P501 WeakPolarHBondContact O-CA 3.49Å; F469-T502 PolarHBondContact O-N 2.98Å; F469-T502 PolarHBondContact O-OG1 2.73Å; F469-V518 CarbonylContact C-O 3.4Å; F469-V518 VanDerWaalsContact CA-O 3.23Å; F469-V518 WeakPolarHBondContact CA-O 3.25Å
470G31.9Very low29.6Very low0 Ų095.9 Ų95.90%052%0.517CS..  trans-158.1133.1-173.200000114.2T502 V517 V518G470-T502 VanDerWaalsContact CA-N 3.33Å; G470-T502 WeakPolarHBondContact CA-O 3.36Å; G470-V517 CarbonylContact O-C 3.41Å; G470-V517 WeakPolarHBondContact O-CA 3.49Å; G470-V517 WeakPolarHBondContact O-CG1 2.89Å; G470-V518 PolarHBondContact N-O 2.85Å; G470-V518 PolarHBondContact O-N 2.76Å
471E30.6Very low29.3Very low36 Ų3692.7 Ų92.717%0.16851%0.508CS..BIsolated β-bridgetrans-111.8129.7175.7-178.1171.3-144.800109.3R372 P501 V517R372-E471 IonicContact CZ-OE1 2.72Å; R372-E471 IonicContact NH1-OE1 2.69Å; R372-E471 PolarHBondContact NH1-OE1 2.76Å; E471-P501 HydrophobicContact CB-CB 3.81Å; E471-P501 HydrophobicContact CB-CG 4.49Å; E471-V517 HydrophobicContact CB-CG2 4.41Å; E471-V517 HydrophobicContact CG-CG2 4.12Å
472F29Very low29.2Very low12 Ų1294.5 Ų94.55%0.05351%0.507CS..  trans-108.3137.6-179.4-50.9-55.4000112T502 L504 L508 S515 I516 V518F472-T502 WeakPolarHBondContact CE1-O 3.38Å; F472-L504 HydrophobicContact CD1-CB 3.46Å; F472-L504 VanDerWaalsContact CD1-CB 3.46Å; F472-L504 HydrophobicContact CD1-CD1 4.03Å; F472-L504 HydrophobicContact CD1-CG 3.92Å; F472-L504 VanDerWaalsContact CD1-N 3.3Å; F472-L504 HydrophobicContact CD2-CD1 4.4Å; F472-L504 HydrophobicContact CE1-CB 3.15Å; F472-L504 HydrophobicContact CE1-CD1 3.23Å; F472-L504 HydrophobicContact CE1-CG 3.06Å; F472-L504 HydrophobicContact CE2-CD1 3.63Å; F472-L504 HydrophobicContact CE2-CG 4.37Å; F472-L504 HydrophobicContact CG-CB 4.48Å; F472-L504 HydrophobicContact CZ-CB 3.89Å; F472-L504 HydrophobicContact CZ-CD1 2.99Å; F472-L504 HydrophobicContact CZ-CG 3.35Å; F472-L508 HydrophobicContact CB-CD1 4.22Å; F472-L508 HydrophobicContact CG-CD1 4.24Å; F472-S515 WeakPolarHBondContact O-CB 3.13Å; F472-I516 HydrophobicContact CD2-CB 3.71Å; F472-I516 HydrophobicContact CD2-CG2 3.97Å; F472-I516 WeakPolarHBondContact CD2-O 3.22Å; F472-I516 HydrophobicContact CE2-CB 4.38Å; F472-I516 HydrophobicContact CE2-CG2 4.12Å; F472-I516 PolarHBondContact N-O 3.13Å; F472-V518 HydrophobicContact CE2-CB 4.4Å; F472-V518 HydrophobicContact CE2-CG2 3.84Å; F472-V518 HydrophobicContact CZ-CG2 4.43Å
473W28.2Very low28.9Very low131 Ų13192.1 Ų92.150%0.49651%0.51SS..  trans-117134.3175-60.784.1000109.2N475W473-N475 PolarHBondContact O-N 2.91Å
474S29.5Very low28.5Very low41 Ų4191.4 Ų91.429%0.28752%0.52SS..  trans-86.497.8168.154.30000108.5Q374Q374-S474 PolarHBondContact NE2-OG 2.81Å; Q374-S474 PolarHBondContact OE1-OG 3.22Å
475N28.7Very low28.3Very low133 Ų13392 Ų9271%0.71154%0.544SS*.  trans-98.3118.5171.4-98.1-3.3000110.6W473 S477W473-N475 PolarHBondContact O-N 2.91Å; N475-S477 VanDerWaalsContact C-N 3.32Å; N475-S477 PolarHBondContact O-N 2.93Å
476S27.1Very low28.1Very low121 Ų12198.8 Ų98.885%0.84658%0.575SS**  trans-85.665.2170.360.60000110.6
477S27.5Very low27.7Very low89 Ų89102.5 Ų102.562%0.62259%0.593SS**SBendtrans174.4140.616346.80000112.1N475N475-S477 VanDerWaalsContact C-N 3.32Å; N475-S477 PolarHBondContact O-N 2.93Å
478S28.7Very low27.4Very low114 Ų114103.1 Ų103.180%0.79761%0.606SS**  trans81.4105.4161.2630000119.1
479T23.9Very low27Very low132 Ų132105.8 Ų105.881%0.8163%0.627SS**  trans-44.6134.8152.144.60000114
480S25.8Very low26.7Very low108 Ų108109.6 Ų109.676%0.75565%0.65SS**  159.4134.1121.8510000113.1
481S25Very low26.5Very low102 Ų102116.6 Ų116.671%0.71369%0.693SS**  trans56.5123.6159.158.80000117.5
482I25.4Very low26.4Very low156 Ų156121.8 Ų121.880%0.872%0.721SS**  -160.8116.580-77.7143.6000108.8
483L23Very low26.4Very low172 Ų172125.5 Ų125.590%0.90174%0.74SS**  trans-105.4152.7153.6-86.1159.3000106.5
484S24.1Very low26.5Very low121 Ų121125.6 Ų125.685%0.84674%0.744SS**  trans89.5110.4179.981.20000115.9
485G25.1Very low26.6Very low78 Ų78124.9 Ų124.980%0.80474%0.739SS**  trans-175.6100.2174.300000108.1
486N25.6Very low27Very low166 Ų166121.3 Ų121.389%0.88872%0.715SS**  trans-54.1150.2-162.7-82.9-34.2000117.1
487N24.8Very low27.5Very low151 Ų151120.9 Ų120.981%0.80770%0.704SS**SBendtrans-52.8152.4156.5-74.5-36.6000112.1
488N24.2Very low27.9Very low150 Ų150121.6 Ų121.680%0.80270%0.697SS**  trans87.688.9176.4-56.8-14.2000114.2
489D27.2Very low28.2Very low154 Ų154119 Ų11982%0.82467%0.674SS**  -165.6123.2128.3-94.3-27.4000111.8
490N26.6Very low28.6Very low135 Ų135117.6 Ų117.672%0.72267%0.665SS**  trans8.9119.9159.1-63.9-38.4000118.1L492N490-L492 PolarHBondContact O-N 3.3Å
491T26.1Very low29Very low147 Ų147115.5 Ų115.590%0.90265%0.649SS**  trans-55.476.9166.937.70000112.5I493T491-I493 PolarHBondContact O-N 2.72Å
492L28.2Very low29.4Very low145 Ų145113.2 Ų113.276%0.75963%0.631SS**  trans-75.399.1166.6-93.2151.2000108.3N490 K494N490-L492 PolarHBondContact O-N 3.3Å; L492-K494 PolarHBondContact O-N 3.36Å
493I30Very low29.8Very low89 Ų89112.1 Ų112.146%0.45663%0.626SS.*  trans-56.3109.8170.7-57.2164.7000108.3K451 T491K451-I493 HydrophobicContact CB-CG2 3.8Å; K451-I493 HydrophobicContact CD-CB 3.66Å; K451-I493 HydrophobicContact CD-CD1 3.92Å; K451-I493 HydrophobicContact CD-CG1 4.39Å; K451-I493 HydrophobicContact CD-CG2 3.62Å; K451-I493 WeakPolarHBondContact CE-O 3.25Å; K451-I493 HydrophobicContact CG-CB 4.16Å; K451-I493 HydrophobicContact CG-CG2 3.58Å; T491-I493 PolarHBondContact O-N 2.72Å
494K30.3Very low30.5Very low133 Ų133105 Ų10558%0.57859%0.589SS**  trans-82.9144.6175.2-69.3-170.6179.6-176.50111.3L492L492-K494 PolarHBondContact O-N 3.36Å
495P31.2Very low31.1Very low27 Ų27103.7 Ų103.718%0.17558%0.577CS.*  trans-56.5144.3168.4-21.733.7000111.6T449 N497 E498 L499T449-P495 HydrophobicContact CG2-CG 4.48Å; P495-N497 WeakPolarHBondContact CB-OD1 3.41Å; P495-N497 PolarHBondContact O-N 3.27Å; P495-E498 WeakPolarHBondContact O-CA 3.32Å; P495-E498 WeakPolarHBondContact O-CB 3.48Å; P495-E498 PolarHBondContact O-N 2.95Å; P495-L499 PolarHBondContact O-N 2.79Å
496W36.7Very low31.7Very low57 Ų57104.2 Ų104.222%0.21657%0.568CS.*G310 helixtrans-60.7-31.6-176.3-169.8-64.4000113.2L437 V466 F469 E498 L499L437-W496 HydrophobicContact CD2-CB 4.29Å; L437-W496 HydrophobicContact CD2-CG 4.15Å; V466-W496 HydrophobicContact CB-CH2 3.54Å; V466-W496 HydrophobicContact CB-CZ3 3.64Å; V466-W496 HydrophobicContact CG1-CH2 3.08Å; V466-W496 HydrophobicContact CG1-CZ2 3.82Å; V466-W496 HydrophobicContact CG1-CZ3 3.63Å; V466-W496 HydrophobicContact CG2-CH2 3.79Å; V466-W496 HydrophobicContact CG2-CZ3 4.05Å; F469-W496 AromaticContact CD2-CE2 3.79Å; F469-W496 AromaticContact CD2-CZ2 3.68Å; F469-W496 HydrophobicContact CD2-CZ2 3.68Å; F469-W496 AromaticContact CD2-NE1 3.49Å; F469-W496 AromaticContact CE2-CZ2 3.85Å; F469-W496 HydrophobicContact CE2-CZ2 3.85Å; F469-W496 AromaticContact CE2-NE1 3.62Å; W496-E498 PolarHBondContact O-N 2.9Å; W496-E498 VanDerWaalsContact O-N 3.17Å; W496-L499 HydrophobicContact CB-CD1 4.08Å; W496-L499 HydrophobicContact CD2-CD1 3.44Å; W496-L499 VanDerWaalsContact CD2-CD1 3.44Å; W496-L499 HydrophobicContact CE3-CD1 3.85Å; W496-L499 HydrophobicContact CG-CD1 3.54Å; W496-L499 HydrophobicContact CG-CG 4.48Å; W496-L499 VanDerWaalsContact O-CB 3.29Å; W496-L499 WeakPolarHBondContact O-CB 3.46Å; W496-L499 PolarHBondContact O-N 2.73Å
497N38.6Very low32.5Very low113 Ų113102.8 Ų102.860%0.60456%0.561SS**G310 helixtrans-66.1-8.3172.753.2-44.9000114P495P495-N497 WeakPolarHBondContact CB-OD1 3.41Å; P495-N497 PolarHBondContact O-N 3.27Å
498E36Very low33.4Very low104 Ų10497.3 Ų97.349%0.48653%0.531SS..G310 helixtrans-110.48.2170.5-63.6-178.6-173.300112.7P495 W496 T500P495-E498 WeakPolarHBondContact O-CA 3.32Å; P495-E498 WeakPolarHBondContact O-CB 3.48Å; P495-E498 PolarHBondContact O-N 2.95Å; W496-E498 PolarHBondContact O-N 2.9Å; W496-E498 VanDerWaalsContact O-N 3.17Å; E498-T500 PolarHBondContact O-N 2.66Å
499L35.4Very low34.1Very low58 Ų5898.8 Ų98.830%0.30453%0.533SS..  trans-69.881.7163.6-67.7168.8000107.4F469 P495 W496F469-L499 HydrophobicContact CB-CB 3.83Å; F469-L499 HydrophobicContact CB-CD1 4.35Å; P495-L499 PolarHBondContact O-N 2.79Å; W496-L499 HydrophobicContact CB-CD1 4.08Å; W496-L499 HydrophobicContact CD2-CD1 3.44Å; W496-L499 VanDerWaalsContact CD2-CD1 3.44Å; W496-L499 HydrophobicContact CE3-CD1 3.85Å; W496-L499 HydrophobicContact CG-CD1 3.54Å; W496-L499 HydrophobicContact CG-CG 4.48Å; W496-L499 VanDerWaalsContact O-CB 3.29Å; W496-L499 WeakPolarHBondContact O-CB 3.46Å; W496-L499 PolarHBondContact O-N 2.73Å
500T32Very low34.8Very low103 Ų10392.5 Ų92.563%0.63250%0.501SS*.  trans-50.6134.5161.138.20000107.8E498 T502E498-T500 PolarHBondContact O-N 2.66Å; T500-T502 PolarHBondContact O-N 3.3Å
501P33.1Very low35.6Very low64 Ų6492.3 Ų92.342%0.41651%0.51SS..  trans-49112.3170.615.1-25.7000108.5F469 E471 I503F469-P501 CarbonylContact O-C 3.57Å; F469-P501 VanDerWaalsContact O-CA 3.29Å; F469-P501 WeakPolarHBondContact O-CA 3.49Å; E471-P501 HydrophobicContact CB-CB 3.81Å; E471-P501 HydrophobicContact CB-CG 4.49Å; P501-I503 PolarHBondContact O-N 3.41Å; P501-I503 VanDerWaalsContact O-N 3.09Å
502T34.4Very low36.7Very low55 Ų5586.3 Ų86.334%0.33747%0.474SS..  trans-60.7113.7169.6-47.70000105.6Y468 F469 G470 F472 T500 L504Y468-T502 HydrophobicContact CD1-CG2 4.42Å; F469-T502 PolarHBondContact O-N 2.98Å; F469-T502 PolarHBondContact O-OG1 2.73Å; G470-T502 VanDerWaalsContact CA-N 3.33Å; G470-T502 WeakPolarHBondContact CA-O 3.36Å; F472-T502 WeakPolarHBondContact CE1-O 3.38Å; T500-T502 PolarHBondContact O-N 3.3Å; T502-L504 HydrophobicContact CG2-CD2 4.44Å; T502-L504 PolarHBondContact O-N 2.84Å
503I33.8Very low38Very low133 Ų13382.7 Ų82.768%0.68246%0.456SS*.  trans-77.1114.3168.7-59.7172.9000105.7P501P501-I503 PolarHBondContact O-N 3.41Å; P501-I503 VanDerWaalsContact O-N 3.09Å
504L38.1Very low39Very low23 Ų2379.2 Ų79.212%0.1244%0.438CS..  trans-86158.6175.6-68.2170.3000108.8Y359 F472 T502 S506Y359-L504 HydrophobicContact CD1-CD1 3.31Å; Y359-L504 HydrophobicContact CD2-CD1 3.99Å; Y359-L504 HydrophobicContact CD2-CD2 4.2Å; Y359-L504 HydrophobicContact CE1-CD1 2.96Å; Y359-L504 HydrophobicContact CE1-CD2 4.27Å; Y359-L504 HydrophobicContact CE1-CG 4.21Å; Y359-L504 HydrophobicContact CE2-CD1 3.65Å; Y359-L504 HydrophobicContact CE2-CD2 3.46Å; Y359-L504 VanDerWaalsContact CE2-CD2 3.46Å; Y359-L504 HydrophobicContact CE2-CG 4.18Å; Y359-L504 HydrophobicContact CG-CD1 3.83Å; Y359-L504 VanDerWaalsContact CZ-CD2 3.49Å; Y359-L504 WeakPolarHBondContact OH-CD2 3.3Å; F472-L504 HydrophobicContact CD1-CB 3.46Å; F472-L504 VanDerWaalsContact CD1-CB 3.46Å; F472-L504 HydrophobicContact CD1-CD1 4.03Å; F472-L504 HydrophobicContact CD1-CG 3.92Å; F472-L504 VanDerWaalsContact CD1-N 3.3Å; F472-L504 HydrophobicContact CD2-CD1 4.4Å; F472-L504 HydrophobicContact CE1-CB 3.15Å; F472-L504 HydrophobicContact CE1-CD1 3.23Å; F472-L504 HydrophobicContact CE1-CG 3.06Å; F472-L504 HydrophobicContact CE2-CD1 3.63Å; F472-L504 HydrophobicContact CE2-CG 4.37Å; F472-L504 HydrophobicContact CG-CB 4.48Å; F472-L504 HydrophobicContact CZ-CB 3.89Å; F472-L504 HydrophobicContact CZ-CD1 2.99Å; F472-L504 HydrophobicContact CZ-CG 3.35Å; T502-L504 HydrophobicContact CG2-CD2 4.44Å; T502-L504 PolarHBondContact O-N 2.84Å; L504-S506 PolarHBondContact O-N 2.82Å
505P36.3Very low40.1Very low93 Ų9373 Ų7360%0.60441%0.411SS*.  trans-47131.7-176.3-27.834.6000112.2D507P505-D507 PolarHBondContact O-N 3.34Å
506S38.1Very low41.2Very low89 Ų8971.9 Ų71.962%0.62240%0.404SS*.SBendtrans-63.313.5-175.247.20000115.6L504 L508L504-S506 PolarHBondContact O-N 2.82Å; S506-L508 VanDerWaalsContact C-N 3.26Å; S506-L508 PolarHBondContact O-N 3.05Å
507D42.1Very low42.1Very low136 Ų13669.4 Ų69.473%0.72740%0.395SS*.  trans-88.28-171.9-57.8-17000112.8P505 Q509P505-D507 PolarHBondContact O-N 3.34Å; D507-Q509 PolarHBondContact O-N 2.69Å
508L43.2Very low42.7Very low35 Ų3564.6 Ų64.618%0.18337%0.369CS..  trans-71.370.1168.6-76.5161.9000110.1Q357 F472 S506 S510 I516Q357-L508 HydrophobicContact CB-CD2 3.78Å; Q357-L508 HydrophobicContact CG-CD2 3.79Å; F472-L508 HydrophobicContact CB-CD1 4.22Å; F472-L508 HydrophobicContact CG-CD1 4.24Å; S506-L508 VanDerWaalsContact C-N 3.26Å; S506-L508 PolarHBondContact O-N 3.05Å; L508-S510 VanDerWaalsContact C-N 3.26Å; L508-S510 PolarHBondContact O-N 2.95Å; L508-I516 HydrophobicContact CD1-CD1 4.27Å; L508-I516 HydrophobicContact CD2-CD1 4.27Å
509Q38.3Very low43.1Very low182 Ų18262.6 Ų62.685%0.8536%0.364SS*.  trans-72.285.8162.7-73.7-171.3-2.300108.7D507D507-Q509 PolarHBondContact O-N 2.69Å
510S41.4Very low43.5Very low21 Ų2162.8 Ų62.815%0.14737%0.367CS..  trans-103.9136.3159.298.70000107.7L354 L508 S512L354-S510 WeakPolarHBondContact CD2-OG 3.17Å; L508-S510 VanDerWaalsContact C-N 3.26Å; L508-S510 PolarHBondContact O-N 2.95Å; S510-S512 PolarHBondContact O-N 2.81Å; S510-S512 VanDerWaalsContact O-N 3.1Å; S510-S512 WeakPolarHBondContact OG-CB 3.45Å; S510-S512 PolarHBondContact OG-N 3.34Å; S510-S512 VanDerWaalsContact OG-N 3.13Å; S510-S512 PolarHBondContact OG-O 3.13Å; S510-S512 PolarHBondContact OG-OG 2.69Å
511S43.6Very low44.1Very low131 Ų13160.6 Ų60.692%0.91635%0.352SS*.SBendtrans-69.44.116864.20000112.7
512S49.6Very low44.7Very low21 Ų2160.4 Ų60.415%0.14735%0.348CS..SBendtrans-88141.1-177.680.50000110.2S510 M514S510-S512 PolarHBondContact O-N 2.81Å; S510-S512 VanDerWaalsContact O-N 3.1Å; S510-S512 WeakPolarHBondContact OG-CB 3.45Å; S510-S512 PolarHBondContact OG-N 3.34Å; S510-S512 VanDerWaalsContact OG-N 3.13Å; S510-S512 PolarHBondContact OG-O 3.13Å; S510-S512 PolarHBondContact OG-OG 2.69Å; S512-M514 PolarHBondContact O-N 3.33Å
513D54.9Low45.4Very low69 Ų6960.8 Ų60.837%0.36935%0.349SS..SBendtrans-75.929-177.5-62.8-46.6000113.4Q374 K375Q374-D513 WeakPolarHBondContact CB-O 3.45Å; Q374-D513 PolarHBondContact N-O 2.92Å; K375-D513 HydrophobicContact CB-CB 4.26Å; K375-D513 HydrophobicContact CD-CB 3.82Å; K375-D513 WeakPolarHBondContact CD-OD2 2.85Å; K375-D513 WeakPolarHBondContact CE-OD1 3.21Å; K375-D513 VanDerWaalsContact CE-OD2 3.22Å; K375-D513 WeakPolarHBondContact CE-OD2 3.44Å; K375-D513 HydrophobicContact CG-CB 3.86Å; K375-D513 IonicContact NZ-OD1 3.63Å; K375-D513 PolarHBondContact NZ-OD1 2.85Å; K375-D513 IonicContact NZ-OD2 2.76Å; K375-D513 PolarHBondContact NZ-OD2 3.18Å
514M51.6Low46.2Very low16 Ų1655.9 Ų55.98%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-124.5138.3-166.9-61.4-64.2-71.500110.6L354 L371 R372 S373 I382 S512L354-M514 HydrophobicContact CD1-CB 3.65Å; L354-M514 HydrophobicContact CD1-CG 4.49Å; L371-M514 HydrophobicContact CB-CE 4.24Å; R372-M514 VanDerWaalsContact C-CE 3.41Å; R372-M514 CarbonylContact O-C 3.59Å; R372-M514 WeakPolarHBondContact O-CA 3.32Å; R372-M514 WeakPolarHBondContact O-CE 3.21Å; S373-M514 WeakPolarHBondContact CA-SD 3.15Å; S373-M514 WeakPolarHBondContact CB-SD 3.48Å; I382-M514 HydrophobicContact CD1-CE 3.63Å; I382-M514 HydrophobicContact CG1-CE 3.55Å; S512-M514 PolarHBondContact O-N 3.33Å
515S54.1Low46.7Very low2 Ų258.3 Ų58.31%0.01434%0.342CS..EExtended strand (participates in β ladder)trans-98.2145.3167.243.10000111.1R372 F472R372-S515 PolarHBondContact N-O 3.08Å; R372-S515 PolarHBondContact O-N 3.42Å; R372-S515 PolarHBondContact O-OG 3.1Å; F472-S515 WeakPolarHBondContact O-CB 3.13Å
516I54.7Low47.5Very low4 Ų455.6 Ų55.62%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-88.4137.5169.5-57.9172.1000107.1L354 P360 V369 L371 F472 L508 V518L354-I516 HydrophobicContact CB-CD1 3.85Å; L354-I516 HydrophobicContact CB-CG1 4.02Å; L354-I516 HydrophobicContact CD1-CG1 4.32Å; L354-I516 HydrophobicContact CD2-CD1 4.3Å; L354-I516 HydrophobicContact CD2-CG1 4.32Å; L354-I516 HydrophobicContact CG-CG1 4.46Å; P360-I516 HydrophobicContact CG-CD1 3.66Å; V369-I516 HydrophobicContact CG1-CG2 3.54Å; L371-I516 HydrophobicContact CD2-CB 4.09Å; L371-I516 HydrophobicContact CD2-CG1 3.64Å; L371-I516 HydrophobicContact CD2-CG2 4.17Å; F472-I516 HydrophobicContact CD2-CB 3.71Å; F472-I516 HydrophobicContact CD2-CG2 3.97Å; F472-I516 WeakPolarHBondContact CD2-O 3.22Å; F472-I516 HydrophobicContact CE2-CB 4.38Å; F472-I516 HydrophobicContact CE2-CG2 4.12Å; F472-I516 PolarHBondContact N-O 3.13Å; L508-I516 HydrophobicContact CD1-CD1 4.27Å; L508-I516 HydrophobicContact CD2-CD1 4.27Å; I516-V518 HydrophobicContact CG2-CG2 4.08Å
517V55.7Low48.3Very low5 Ų552.8 Ų52.83%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-123.9112.9168.6-174.50000106.9Y370 R372 Y432 G470 E471Y370-V517 PolarHBondContact N-O 3.23Å; Y370-V517 PolarHBondContact O-N 3.4Å; R372-V517 HydrophobicContact CB-CG2 4.31Å; Y432-V517 HydrophobicContact CE2-CB 4.3Å; Y432-V517 HydrophobicContact CE2-CG1 4.02Å; Y432-V517 HydrophobicContact CE2-CG2 4.28Å; G470-V517 CarbonylContact O-C 3.41Å; G470-V517 WeakPolarHBondContact O-CA 3.49Å; G470-V517 WeakPolarHBondContact O-CG1 2.89Å; E471-V517 HydrophobicContact CB-CG2 4.41Å; E471-V517 HydrophobicContact CG-CG2 4.12Å
518V50.7Low48.9Very low12 Ų1245.3 Ų45.37%0.07326%0.257CS..  trans-88.30176.81770000108.2L363 I368 V369 F469 G470 F472 I516L363-V518 HydrophobicContact CD1-CG1 4.27Å; L363-V518 HydrophobicContact CD1-CG2 3.98Å; L363-V518 HydrophobicContact CD2-CG1 4.24Å; I368-V518 VanDerWaalsContact O-OXT 3.09Å; V369-V518 HydrophobicContact CG1-CG2 4.19Å; V369-V518 HydrophobicContact CG2-CG1 4.39Å; V369-V518 HydrophobicContact CG2-CG2 4.01Å; F469-V518 CarbonylContact C-O 3.4Å; F469-V518 VanDerWaalsContact CA-O 3.23Å; F469-V518 WeakPolarHBondContact CA-O 3.25Å; G470-V518 PolarHBondContact N-O 2.85Å; G470-V518 PolarHBondContact O-N 2.76Å; F472-V518 HydrophobicContact CE2-CB 4.4Å; F472-V518 HydrophobicContact CE2-CG2 3.84Å; F472-V518 HydrophobicContact CZ-CG2 4.43Å; I516-V518 HydrophobicContact CG2-CG2 4.08Å

Retrieved 518 of 518 residues in 920.7 ms (Link to these results)

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