A0A5K4EAJ5_SCHMA Loading...

Transmembrane protein 188

AlphaFold DB , UniProt , Accession A0A5K4EAJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 144 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
1M42.6Very low47.7Very low239 Ų239150.3 Ų150.3100%1.17782%0.82SS**  0690-160.3157.786.200108.1
2T44.7Very low47.6Very low141 Ų141154.9 Ų154.987%0.86582%0.816SS**  trans-158.351.5-178.3-21.90000110.3
3I44.8Very low47.4Very low156 Ų156149.5 Ų149.580%0.880%0.799SS**  trans-95.8142.2155.9-63172.1000104.2
4F48.3Very low47.2Very low178 Ų178153.4 Ų153.478%0.78181%0.806SS**  trans91.389.6-172-71.9-96.3000114.9
5T52.3Low47Very low123 Ų123148.5 Ų148.576%0.75579%0.789SS**SBend-171.5-10.1108.317.40000117.2L7T5-L7 PolarHBondContact O-N 2.95Å
6C49.2Very low46.9Very low142 Ų142150.1 Ų150.196%0.95979%0.79SS**THydrogen-bonded Turntrans-95.619.1179.1-79.90000115.5
7L47.4Very low47.4Very low163 Ų163150.2 Ų150.285%0.85379%0.785SS**THydrogen-bonded Turntrans-113.526.2175.6-121.3167.6000112.7T5 L9T5-L7 PolarHBondContact O-N 2.95Å; L7-L9 PolarHBondContact O-N 3.34Å
8L50.4Low47.6Very low135 Ų135150 Ų15071%0.70779%0.785SS**SBendtrans-97.290.4161-68179.7000109.3
9L50.7Low48.3Very low134 Ų134148.9 Ų148.970%0.70278%0.779SS**  59.679.2127.6-64.9154.7000113.7L7 P11L7-L9 PolarHBondContact O-N 3.34Å; L9-P11 WeakPolarHBondContact O-CD 3.44Å
10N42.7Very low49.2Very low131 Ų131148.6 Ų148.670%0.70178%0.778SS**  trans-64.4104.4137.4-174.3-20000105.7R12N10-R12 PolarHBondContact O-N 3.01Å; N10-R12 PolarHBondContact OD1-N 3.3Å
11P51.5Low50.1Low111 Ų111149.1 Ų149.172%0.72177%0.771SS**  trans-80.260177.129.1-13.8000106.4L9 S13L9-P11 WeakPolarHBondContact O-CD 3.44Å; P11-S13 VanDerWaalsContact C-N 3.33Å; P11-S13 PolarHBondContact O-N 3.11Å
12R46.2Very low51.6Low206 Ų206141.3 Ų141.378%0.77773%0.734SS**  trans-64.7103.5174.1-161.5-167.3-109.5-175.4-2.3105.3N10 K14N10-R12 PolarHBondContact O-N 3.01Å; N10-R12 PolarHBondContact OD1-N 3.3Å; R12-K14 PolarHBondContact O-N 3.06Å
13S45.2Very low53Low85 Ų85138.7 Ų138.759%0.59472%0.719SS**  trans52.662.4157.970.80000114.7P11 S15P11-S13 VanDerWaalsContact C-N 3.33Å; P11-S13 PolarHBondContact O-N 3.11Å; S13-S15 VanDerWaalsContact CA-N 3.3Å; S13-S15 PolarHBondContact O-N 3.04Å
14K45.2Very low54.7Low204 Ų204135.7 Ų135.789%0.88771%0.705SS**  -67.463.8126.2-83.5-174179.3179.60106.8R12 H16R12-K14 PolarHBondContact O-N 3.06Å; K14-H16 PolarHBondContact O-N 3.26Å
15S43.9Very low56.2Low79 Ų79131.8 Ų131.855%0.55269%0.689SS**  trans-55.9111.315151.50000102S13 Q17S13-S15 VanDerWaalsContact CA-N 3.3Å; S13-S15 PolarHBondContact O-N 3.04Å; S15-Q17 PolarHBondContact O-N 3.1Å
16H45.6Very low57.3Low175 Ų175129 Ų12981%0.8167%0.673SS**  trans-45.376.5139.3-83.8-161.9000106.6K14 N18K14-H16 PolarHBondContact O-N 3.26Å; H16-N18 PolarHBondContact O-N 2.77Å
17Q54.3Low59.1Low152 Ų152126 Ų12671%0.7165%0.65SS**  trans-53.797.8132.6-75.4-171.7-1800100.6S15 I19S15-Q17 PolarHBondContact O-N 3.1Å; Q17-I19 HydrophobicContact CB-CG1 4.34Å; Q17-I19 PolarHBondContact O-N 3.19Å
18N51.8Low61.1Low146 Ų146122.9 Ų122.978%0.78163%0.631SS**  trans-44.385.6141-105.9-51.6000103.3H16 N20H16-N18 PolarHBondContact O-N 2.77Å; N18-N20 PolarHBondContact O-N 3.01Å
19I61.4Low63.1Low130 Ų130121.2 Ų121.267%0.66762%0.623SS**  trans-59.1101.6161.1-63.5174.400099Q17 Y21Q17-I19 HydrophobicContact CB-CG1 4.34Å; Q17-I19 PolarHBondContact O-N 3.19Å; I19-Y21 PolarHBondContact O-N 3.18Å
20N65.5Low65Low142 Ų142118.3 Ų118.376%0.75961%0.608SS**  trans-68.478.8180-166.9-14.1000104N18 N22N18-N20 PolarHBondContact O-N 3.01Å; N20-N22 VanDerWaalsContact C-N 3.29Å; N20-N22 PolarHBondContact O-N 3.41Å
21Y69.3Low67.4Low160 Ų160117.8 Ų117.863%0.62760%0.599SS**  trans-6698.5-175.5172.7-97.4000105I19 P23I19-Y21 PolarHBondContact O-N 3.18Å; Y21-P23 HydrophobicContact CE1-CB 4.15Å; Y21-P23 VanDerWaalsContact O-CD 3.31Å; Y21-P23 WeakPolarHBondContact O-CD 3.44Å
22N72.9Confident69.4Low74 Ų74114.1 Ų114.140%0.39658%0.579SS.*  trans-83.9113.1173.9-176.2-8.3000105.7N20 N24 E25N20-N22 VanDerWaalsContact C-N 3.29Å; N20-N22 PolarHBondContact O-N 3.41Å; N22-N24 PolarHBondContact O-N 3.19Å; N22-N24 WeakPolarHBondContact OD1-CB 3.49Å; N22-N24 PolarHBondContact OD1-N 2.8Å; N22-N24 VanDerWaalsContact OD1-N 3.1Å; N22-N24 PolarHBondContact OD1-ND2 3.28Å; N22-E25 HydrophobicContact CB-CB 4.34Å; N22-E25 VanDerWaalsContact O-CB 3.25Å; N22-E25 WeakPolarHBondContact O-CB 3.22Å; N22-E25 PolarHBondContact O-N 3.18Å
23P75.4Confident71.6Confident87 Ų87108.6 Ų108.657%0.56556%0.56SS**THydrogen-bonded Turntrans-59-14.717924.9-34.6000112.9Y21Y21-P23 HydrophobicContact CE1-CB 4.15Å; Y21-P23 VanDerWaalsContact O-CD 3.31Å; Y21-P23 WeakPolarHBondContact O-CD 3.44Å
24N80Confident74Confident92 Ų92106.7 Ų106.749%0.49254%0.542SS..THydrogen-bonded Turntrans-85.3-11.6174.7-51-67.6000113.8N22 T27 E28N22-N24 PolarHBondContact O-N 3.19Å; N22-N24 WeakPolarHBondContact OD1-CB 3.49Å; N22-N24 PolarHBondContact OD1-N 2.8Å; N22-N24 VanDerWaalsContact OD1-N 3.1Å; N22-N24 PolarHBondContact OD1-ND2 3.28Å; N24-T27 WeakPolarHBondContact CA-OG1 3.28Å; N24-T27 PolarHBondContact O-N 3.26Å; N24-T27 VanDerWaalsContact O-N 3.1Å; N24-T27 PolarHBondContact O-OG1 2.98Å; N24-E28 PolarHBondContact O-N 3.35Å
25E78.2Confident76.4Confident97 Ų97104.6 Ų104.645%0.45353%0.528SS..Hα-helixtrans-56.8-48.1-177.2-179177.6-164.700112.6N22 T27 E28 D29N22-E25 HydrophobicContact CB-CB 4.34Å; N22-E25 VanDerWaalsContact O-CB 3.25Å; N22-E25 WeakPolarHBondContact O-CB 3.22Å; N22-E25 PolarHBondContact O-N 3.18Å; E25-T27 PolarHBondContact O-N 2.89Å; E25-E28 PolarHBondContact O-N 2.89Å; E25-E28 VanDerWaalsContact O-N 3.12Å; E25-D29 PolarHBondContact O-N 3.44Å
26P77.4Confident78.9Confident64 Ų64107.3 Ų107.342%0.41653%0.526SS..Hα-helixtrans-59.5-35.4176.4-23.534.4000112.9L30P26-L30 WeakPolarHBondContact O-CD1 3.3Å; P26-L30 PolarHBondContact O-N 3.29Å
27T85.4Confident81.2Confident79 Ų7999.3 Ų99.349%0.48549%0.49SS..Hα-helixtrans-72.5-36.117954.90000112.5N24 E25 K31N24-T27 WeakPolarHBondContact CA-OG1 3.28Å; N24-T27 PolarHBondContact O-N 3.26Å; N24-T27 VanDerWaalsContact O-N 3.1Å; N24-T27 PolarHBondContact O-OG1 2.98Å; E25-T27 PolarHBondContact O-N 2.89Å; T27-K31 WeakPolarHBondContact O-CB 3.23Å; T27-K31 PolarHBondContact O-N 3.5Å; T27-K31 VanDerWaalsContact O-N 3.08Å
28E90.7Very high83.1Confident98 Ų9895.2 Ų95.246%0.45847%0.468SS..Hα-helixtrans-71.3-35.7177-72.7-58.2137.500111.7N24 E25 K31 A32N24-E28 PolarHBondContact O-N 3.35Å; E25-E28 PolarHBondContact O-N 2.89Å; E25-E28 VanDerWaalsContact O-N 3.12Å; E28-K31 PolarHBondContact O-N 3.42Å; E28-K31 IonicContact OE1-NZ 3.14Å; E28-K31 PolarHBondContact OE1-NZ 3.38Å; E28-K31 IonicContact OE2-NZ 2.63Å; E28-A32 VanDerWaalsContact O-CB 3.28Å; E28-A32 WeakPolarHBondContact O-CB 3.31Å; E28-A32 PolarHBondContact O-N 2.74Å
29D90.9Very high85.2Confident99 Ų9993.5 Ų93.553%0.52946%0.455SS..Hα-helixtrans-64.7-45174.6-75.3-21.6000112.4E25 K31 A32 F33E25-D29 PolarHBondContact O-N 3.44Å; D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 3.44Å; D29-A32 PolarHBondContact O-N 2.83Å; D29-F33 WeakPolarHBondContact O-CB 3.45Å; D29-F33 PolarHBondContact O-N 2.89Å
30L91.3Very high86.8Confident74 Ų7491.3 Ų91.339%0.38744%0.444SS..Hα-helixtrans-59.7-44175-96.957.6000111.3P26 A32 F33 E34 M128 L136P26-L30 WeakPolarHBondContact O-CD1 3.3Å; P26-L30 PolarHBondContact O-N 3.29Å; L30-A32 VanDerWaalsContact C-N 3.35Å; L30-F33 PolarHBondContact O-N 2.96Å; L30-E34 WeakPolarHBondContact O-CB 3.5Å; L30-E34 PolarHBondContact O-N 3.17Å; L30-M128 HydrophobicContact CD2-CE 3.22Å; L30-M128 HydrophobicContact CD2-SD 4.17Å; L30-M128 HydrophobicContact CG-CE 3.92Å; L30-M128 HydrophobicContact CG-SD 4.5Å; L30-L136 HydrophobicContact CG-CD2 4.44Å
31K92.2Very high88.1Confident120 Ų12085 Ų8552%0.52241%0.41SS..Hα-helixtrans-66.1-37.6177.1-176.1-179.7174.9-170.30111.9T27 E28 D29 E34 R35T27-K31 WeakPolarHBondContact O-CB 3.23Å; T27-K31 PolarHBondContact O-N 3.5Å; T27-K31 VanDerWaalsContact O-N 3.08Å; E28-K31 PolarHBondContact O-N 3.42Å; E28-K31 IonicContact OE1-NZ 3.14Å; E28-K31 PolarHBondContact OE1-NZ 3.38Å; E28-K31 IonicContact OE2-NZ 2.63Å; D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 3.44Å; K31-E34 PolarHBondContact O-N 3.35Å; K31-R35 WeakPolarHBondContact O-CB 3.47Å; K31-R35 PolarHBondContact O-N 3.2Å
32A94.2Very high89.1Confident34 Ų3482 Ų8228%0.28141%0.405SS..Hα-helixtrans-66-45.9175.100000111.2E28 D29 L30 R35 R36E28-A32 VanDerWaalsContact O-CB 3.28Å; E28-A32 WeakPolarHBondContact O-CB 3.31Å; E28-A32 PolarHBondContact O-N 2.74Å; D29-A32 PolarHBondContact O-N 2.83Å; L30-A32 VanDerWaalsContact C-N 3.35Å; A32-R35 PolarHBondContact O-N 3.49Å; A32-R36 WeakPolarHBondContact O-CG 3.47Å; A32-R36 PolarHBondContact O-N 3.44Å
33F93.3Very high90.1Very high90 Ų9081.2 Ų81.240%0.39541%0.414SS..Hα-helixtrans-58.6-48.7173.4173.3-98.3000111.4D29 L30 R35 R36 L37 L123 L136D29-F33 WeakPolarHBondContact O-CB 3.45Å; D29-F33 PolarHBondContact O-N 2.89Å; L30-F33 PolarHBondContact O-N 2.96Å; F33-R35 VanDerWaalsContact C-N 3.3Å; F33-R35 PolarHBondContact O-N 3.26Å; F33-R36 PolarHBondContact O-N 3.45Å; F33-R36 VanDerWaalsContact O-N 3.14Å; F33-L37 HydrophobicContact CE1-CD2 4.08Å; F33-L37 HydrophobicContact CZ-CD2 4.25Å; F33-L37 WeakPolarHBondContact O-CB 3.45Å; F33-L37 PolarHBondContact O-N 3.4Å; F33-L123 HydrophobicContact CE1-CD1 4.22Å; F33-L123 HydrophobicContact CE1-CD2 4.13Å; F33-L123 HydrophobicContact CE1-CG 4.49Å; F33-L136 HydrophobicContact CD1-CD1 3.96Å; F33-L136 HydrophobicContact CD1-CD2 3.98Å; F33-L136 HydrophobicContact CE1-CD1 4Å; F33-L136 HydrophobicContact CE1-CD2 4.42Å
34E94.8Very high90.9Very high44 Ų4479 Ų7921%0.20640%0.397CS..Hα-helixtrans-55.3-44.9177.5177.4168.1-165.300111.9L30 K31 R38 L136L30-E34 WeakPolarHBondContact O-CB 3.5Å; L30-E34 PolarHBondContact O-N 3.17Å; K31-E34 PolarHBondContact O-N 3.35Å; E34-R38 PolarHBondContact O-N 3.15Å; E34-R38 VanDerWaalsContact O-N 3.07Å; E34-R38 IonicContact OE1-CZ 3.78Å; E34-R38 IonicContact OE1-NH1 3.5Å; E34-R38 PolarHBondContact OE1-NH1 2.92Å; E34-R38 IonicContact OE1-NH2 2.83Å; E34-R38 PolarHBondContact OE1-NH2 3.39Å; E34-L136 HydrophobicContact CB-CD1 3.7Å; E34-L136 HydrophobicContact CB-CD2 4.41Å; E34-L136 HydrophobicContact CB-CG 4.48Å; E34-L136 HydrophobicContact CG-CD1 3.9Å; E34-L136 PolarHBondContact OE1-N 3.46Å
35R95.9Very high91.4Very high160 Ų16076 Ų7660%0.60439%0.388SS*.Hα-helixtrans-63.1-46.4176.3179.8178.462.7178.1-3.1111.7K31 A32 F33 R38 E39K31-R35 WeakPolarHBondContact O-CB 3.47Å; K31-R35 PolarHBondContact O-N 3.2Å; A32-R35 PolarHBondContact O-N 3.49Å; F33-R35 VanDerWaalsContact C-N 3.3Å; F33-R35 PolarHBondContact O-N 3.26Å; R35-R38 PolarHBondContact O-N 2.69Å; R35-E39 WeakPolarHBondContact O-CB 3.44Å; R35-E39 PolarHBondContact O-N 3.45Å
36R95.6Very high92Very high136 Ų13675.4 Ų75.451%0.51339%0.392SS..Hα-helixtrans-64.7-40.4179-69.7-61-173.6-170.34.8112A32 F33 E39 I40A32-R36 WeakPolarHBondContact O-CG 3.47Å; A32-R36 PolarHBondContact O-N 3.44Å; F33-R36 PolarHBondContact O-N 3.45Å; F33-R36 VanDerWaalsContact O-N 3.14Å; R36-E39 IonicContact CZ-OE2 3.83Å; R36-E39 IonicContact NH1-OE1 2.85Å; R36-E39 IonicContact NH1-OE2 3.85Å; R36-E39 PolarHBondContact NH1-OE2 3.02Å; R36-E39 PolarHBondContact O-N 3.32Å; R36-I40 VanDerWaalsContact O-CG1 3.32Å; R36-I40 WeakPolarHBondContact O-CG1 3.28Å; R36-I40 PolarHBondContact O-N 3.1Å
37L94.6Very high92.7Very high8 Ų878 Ų784%0.04240%0.397CS..Hα-helixtrans-63.5-44.6177.9-175.358.3000111.2F33 I40 I41 I115 S119 C130 L136F33-L37 HydrophobicContact CE1-CD2 4.08Å; F33-L37 HydrophobicContact CZ-CD2 4.25Å; F33-L37 WeakPolarHBondContact O-CB 3.45Å; F33-L37 PolarHBondContact O-N 3.4Å; L37-I40 PolarHBondContact O-N 2.95Å; L37-I41 HydrophobicContact CD1-CD1 3.92Å; L37-I41 HydrophobicContact CD1-CG1 4.36Å; L37-I41 HydrophobicContact CG-CD1 3.89Å; L37-I41 WeakPolarHBondContact O-CB 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.28Å; L37-I41 PolarHBondContact O-N 3.32Å; L37-I115 HydrophobicContact CD1-CG2 4.05Å; L37-S119 WeakPolarHBondContact CD1-OG 3.41Å; L37-C130 HydrophobicContact CD2-CB 4.16Å; L37-L136 HydrophobicContact CD2-CD1 4.49Å
38R94.8Very high93.1Very high66 Ų6674.3 Ų74.325%0.24938%0.375CS..Hα-helixtrans-59.2-46.8172-88.9175.6175.575.1167112.8E34 R35 I40 I41 N42 S133 G134E34-R38 PolarHBondContact O-N 3.15Å; E34-R38 VanDerWaalsContact O-N 3.07Å; E34-R38 IonicContact OE1-CZ 3.78Å; E34-R38 IonicContact OE1-NH1 3.5Å; E34-R38 PolarHBondContact OE1-NH1 2.92Å; E34-R38 IonicContact OE1-NH2 2.83Å; E34-R38 PolarHBondContact OE1-NH2 3.39Å; R35-R38 PolarHBondContact O-N 2.69Å; R38-I40 VanDerWaalsContact C-N 3.28Å; R38-I40 PolarHBondContact O-N 3.28Å; R38-I41 PolarHBondContact O-N 3.38Å; R38-N42 WeakPolarHBondContact O-CB 3.32Å; R38-N42 PolarHBondContact O-N 3.25Å; R38-N42 PolarHBondContact O-ND2 2.95Å; R38-S133 VanDerWaalsContact CG-O 3.29Å; R38-S133 WeakPolarHBondContact CG-O 3.25Å; R38-G134 PolarHBondContact NH2-O 3.39Å
39E95.5Very high93.3Very high110 Ų11075.7 Ų75.751%0.51438%0.38SS..Hα-helixtrans-55.8-46.4179.7-174.6-177.8177.800110.7R35 R36 G43R35-E39 WeakPolarHBondContact O-CB 3.44Å; R35-E39 PolarHBondContact O-N 3.45Å; R36-E39 IonicContact CZ-OE2 3.83Å; R36-E39 IonicContact NH1-OE1 2.85Å; R36-E39 IonicContact NH1-OE2 3.85Å; R36-E39 PolarHBondContact NH1-OE2 3.02Å; R36-E39 PolarHBondContact O-N 3.32Å; E39-G43 PolarHBondContact O-N 2.85Å
40I94.5Very high93.5Very high83 Ų8378.2 Ų78.243%0.42639%0.386SS..Hα-helixtrans-63.9-51.2177-66.3165.5000111.1R36 L37 R38 G43 L44 I115R36-I40 VanDerWaalsContact O-CG1 3.32Å; R36-I40 WeakPolarHBondContact O-CG1 3.28Å; R36-I40 PolarHBondContact O-N 3.1Å; L37-I40 PolarHBondContact O-N 2.95Å; R38-I40 VanDerWaalsContact C-N 3.28Å; R38-I40 PolarHBondContact O-N 3.28Å; I40-G43 PolarHBondContact O-N 3.48Å; I40-L44 HydrophobicContact CG2-CD1 3.85Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.23Å; I40-L44 WeakPolarHBondContact O-CG 3.21Å; I40-L44 PolarHBondContact O-N 3.4Å; I40-I115 HydrophobicContact CG2-CD1 3.9Å; I40-I115 HydrophobicContact CG2-CG2 4.35Å
41I92.9Very high93.7Very high10 Ų1077.4 Ų77.45%0.05138%0.378CS..Hα-helixtrans-64.1-45.5-177.3-70.7172.2000111L37 R38 G43 L44 G45 A116 N132L37-I41 HydrophobicContact CD1-CD1 3.92Å; L37-I41 HydrophobicContact CD1-CG1 4.36Å; L37-I41 HydrophobicContact CG-CD1 3.89Å; L37-I41 WeakPolarHBondContact O-CB 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.28Å; L37-I41 PolarHBondContact O-N 3.32Å; R38-I41 PolarHBondContact O-N 3.38Å; I41-G43 VanDerWaalsContact C-N 3.33Å; I41-G43 PolarHBondContact O-N 3.29Å; I41-L44 PolarHBondContact O-N 3.44Å; I41-G45 PolarHBondContact O-N 3.24Å; I41-A116 HydrophobicContact CD1-CB 4.14Å; I41-N132 WeakPolarHBondContact CG2-O 3.25Å
42N91.3Very high93.9Very high97 Ų9777.7 Ų77.752%0.51938%0.376SS..Hα-helixtrans-66.9-34.8178.9-69.2-20.6000111.7R38 L44 P46R38-N42 WeakPolarHBondContact O-CB 3.32Å; R38-N42 PolarHBondContact O-N 3.25Å; R38-N42 PolarHBondContact O-ND2 2.95Å; N42-L44 VanDerWaalsContact C-N 3.34Å; N42-P46 WeakPolarHBondContact O-CD 3.49Å
43G93Very high94Very high57 Ų5780 Ų8059%0.58838%0.383SS*.Hα-helixtrans-66.7-35.317300000112.9E39 I40 I41E39-G43 PolarHBondContact O-N 2.85Å; I40-G43 PolarHBondContact O-N 3.48Å; I41-G43 VanDerWaalsContact C-N 3.33Å; I41-G43 PolarHBondContact O-N 3.29Å
44L92.8Very high94.1Very high41 Ų4178.7 Ų78.722%0.21538%0.382CS..Hα-helixtrans-85.2-28-179.1-66.1172.8000113.6I40 I41 N42 K47 A48 L111 P112 I115I40-L44 HydrophobicContact CG2-CD1 3.85Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.23Å; I40-L44 WeakPolarHBondContact O-CG 3.21Å; I40-L44 PolarHBondContact O-N 3.4Å; I41-L44 PolarHBondContact O-N 3.44Å; N42-L44 VanDerWaalsContact C-N 3.34Å; L44-K47 PolarHBondContact O-N 2.95Å; L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 2.83Å; L44-L111 HydrophobicContact CD1-CD2 4.11Å; L44-L111 HydrophobicContact CD1-CG 4.09Å; L44-L111 HydrophobicContact CD2-CD2 3.91Å; L44-P112 HydrophobicContact CB-CB 4.44Å; L44-P112 HydrophobicContact CB-CG 3.96Å; L44-I115 HydrophobicContact CD1-CD1 3.43Å; L44-I115 VanDerWaalsContact CD1-CD1 3.43Å
45G90.6Very high94.2Very high29 Ų2977.7 Ų77.730%0.29938%0.378SS..Hα-helixtrans-54.1-57.4-175.500000114.1I41 K47 A48 F49I41-G45 PolarHBondContact O-N 3.24Å; G45-K47 VanDerWaalsContact C-N 3.28Å; G45-K47 PolarHBondContact O-N 3.04Å; G45-A48 PolarHBondContact O-N 3.46Å; G45-F49 WeakPolarHBondContact O-CB 3.35Å; G45-F49 PolarHBondContact O-N 2.86Å
46P91.3Very high94.2Very high84 Ų8473.4 Ų73.455%0.54537%0.372SS..Hα-helixtrans-59.3-37.7-179.7-25.534.3000113N42 K50N42-P46 WeakPolarHBondContact O-CD 3.49Å; P46-K50 WeakPolarHBondContact O-CG 3.24Å; P46-K50 PolarHBondContact O-N 3.39Å
47K91.7Very high94.3Very high118 Ų11870.4 Ų70.451%0.51337%0.369SS..Hα-helixtrans-66.5-49176.2-174174.6-1781760110.6L44 G45 F49 K50 W51L44-K47 PolarHBondContact O-N 2.95Å; G45-K47 VanDerWaalsContact C-N 3.28Å; G45-K47 PolarHBondContact O-N 3.04Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 3.23Å; K47-K50 PolarHBondContact O-N 3.46Å; K47-W51 PolarHBondContact O-N 2.9Å; K47-W51 VanDerWaalsContact O-N 3.08Å
48A93.5Very high94.4Very high3 Ų370.2 Ų70.23%0.02537%0.368CS..Hα-helixtrans-60.3-40.6177.400000111.7L44 G45 W51 R52 P112L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 2.83Å; G45-A48 PolarHBondContact O-N 3.46Å; A48-W51 PolarHBondContact O-N 3.18Å; A48-R52 WeakPolarHBondContact O-CG 3.32Å; A48-R52 PolarHBondContact O-N 3.44Å; A48-P112 HydrophobicContact CB-CG 3.55Å
49F94.1Very high94.6Very high127 Ų12770 Ų7056%0.55737%0.374SS*.Hα-helixtrans-60.9-46.9176.4-176.2-106.3000112.2G45 K47 W51 R52 I53G45-F49 WeakPolarHBondContact O-CB 3.35Å; G45-F49 PolarHBondContact O-N 2.86Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 3.23Å; F49-W51 VanDerWaalsContact C-N 3.33Å; F49-W51 PolarHBondContact O-N 3.44Å; F49-R52 WeakPolarHBondContact O-CB 3.41Å; F49-R52 PolarHBondContact O-N 3.43Å; F49-R52 VanDerWaalsContact O-N 3.15Å; F49-I53 HydrophobicContact CD1-CD1 3.86Å; F49-I53 HydrophobicContact CE1-CD1 3.38Å; F49-I53 HydrophobicContact CE1-CG1 4.32Å; F49-I53 HydrophobicContact CZ-CD1 3.76Å; F49-I53 HydrophobicContact CZ-CG1 4.35Å; F49-I53 PolarHBondContact O-N 3.22Å
50K95.1Very high94.7Very high151 Ų15169.9 Ų69.966%0.65738%0.377SS*.Hα-helixtrans-56.1-46.5173.7-77.3-176.8165.8-174.50112.2P46 K47 R52 I53 V54P46-K50 WeakPolarHBondContact O-CG 3.24Å; P46-K50 PolarHBondContact O-N 3.39Å; K47-K50 PolarHBondContact O-N 3.46Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 2.85Å; K50-I53 PolarHBondContact O-N 2.98Å; K50-V54 WeakPolarHBondContact O-CG2 3.38Å; K50-V54 PolarHBondContact O-N 3.5Å
51W96Very high94.8Very high58 Ų5870 Ų7022%0.2238%0.378CS..Hα-helixtrans-66.8-31.5178.6-79100.9000113.1K47 A48 F49 L55 L100 A105 K108 V109K47-W51 PolarHBondContact O-N 2.9Å; K47-W51 VanDerWaalsContact O-N 3.08Å; A48-W51 PolarHBondContact O-N 3.18Å; F49-W51 VanDerWaalsContact C-N 3.33Å; F49-W51 PolarHBondContact O-N 3.44Å; W51-L55 WeakPolarHBondContact O-CB 3.24Å; W51-L55 WeakPolarHBondContact O-CG 3.42Å; W51-L55 PolarHBondContact O-N 3.24Å; W51-L100 HydrophobicContact CZ3-CD2 4.05Å; W51-A105 HydrophobicContact CD2-CB 4.5Å; W51-A105 HydrophobicContact CE3-CB 3.49Å; W51-A105 VanDerWaalsContact CE3-CB 3.49Å; W51-A105 HydrophobicContact CZ3-CB 3.62Å; W51-K108 HydrophobicContact CD2-CB 4.39Å; W51-K108 HydrophobicContact CD2-CD 3.88Å; W51-K108 HydrophobicContact CG-CB 4.02Å; W51-K108 HydrophobicContact CG-CD 4.27Å; W51-K108 HydrophobicContact CH2-CD 4.3Å; W51-K108 HydrophobicContact CZ2-CD 3.63Å; W51-K108 VanDerWaalsContact CZ2-NZ 3.32Å; W51-V109 HydrophobicContact CB-CG1 3.39Å
52R96.1Very high95Very high125 Ų12571.2 Ų71.247%0.47238%0.383SS..Hα-helixtrans-63.5-46.7172.4-72.6173.2-170.6-177.21.8111A48 F49 K50 V54 L55 S56 V109A48-R52 WeakPolarHBondContact O-CG 3.32Å; A48-R52 PolarHBondContact O-N 3.44Å; F49-R52 WeakPolarHBondContact O-CB 3.41Å; F49-R52 PolarHBondContact O-N 3.43Å; F49-R52 VanDerWaalsContact O-N 3.15Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 2.85Å; R52-V54 PolarHBondContact O-N 2.92Å; R52-L55 PolarHBondContact O-N 2.96Å; R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.41Å; R52-S56 PolarHBondContact O-OG 3.1Å; R52-V109 HydrophobicContact CB-CG1 4.47Å; R52-V109 HydrophobicContact CG-CB 3.95Å; R52-V109 HydrophobicContact CG-CG1 3.73Å; R52-V109 PolarHBondContact NH2-O 3.22Å
53I97.2Very high95.3Very high83 Ų8371.5 Ų71.543%0.42638%0.384SS..Hα-helixtrans-59.2-48.8176.9-65.1169.6000110.7F49 K50 L55 S56 V57F49-I53 HydrophobicContact CD1-CD1 3.86Å; F49-I53 HydrophobicContact CE1-CD1 3.38Å; F49-I53 HydrophobicContact CE1-CG1 4.32Å; F49-I53 HydrophobicContact CZ-CD1 3.76Å; F49-I53 HydrophobicContact CZ-CG1 4.35Å; F49-I53 PolarHBondContact O-N 3.22Å; K50-I53 PolarHBondContact O-N 2.98Å; I53-L55 VanDerWaalsContact C-N 3.34Å; I53-L55 PolarHBondContact O-N 3.27Å; I53-S56 PolarHBondContact O-N 2.95Å; I53-V57 HydrophobicContact CG2-CG2 4.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.38Å; I53-V57 PolarHBondContact O-N 3.02Å
54V96.1Very high95.5Very high62 Ų6272.7 Ų72.738%0.37638%0.382SS..Hα-helixtrans-58.1-46.5179.5172.20000111.4K50 R52 V57 A58 L100K50-V54 WeakPolarHBondContact O-CG2 3.38Å; K50-V54 PolarHBondContact O-N 3.5Å; R52-V54 PolarHBondContact O-N 2.92Å; V54-V57 PolarHBondContact O-N 3.49Å; V54-A58 WeakPolarHBondContact O-CB 3.43Å; V54-A58 PolarHBondContact O-N 3.42Å; V54-L100 HydrophobicContact CG1-CD1 4.24Å; V54-L100 HydrophobicContact CG1-CD2 4.1Å
55L96Very high95.7Very high23 Ų2371.5 Ų71.512%0.1238%0.377CS..Hα-helixtrans-65.2-42.4177.3-76.4173.8000112W51 R52 I53 V57 A58 V59 L100 A105 V109W51-L55 WeakPolarHBondContact O-CB 3.24Å; W51-L55 WeakPolarHBondContact O-CG 3.42Å; W51-L55 PolarHBondContact O-N 3.24Å; R52-L55 PolarHBondContact O-N 2.96Å; I53-L55 VanDerWaalsContact C-N 3.34Å; I53-L55 PolarHBondContact O-N 3.27Å; L55-V57 PolarHBondContact O-N 3.5Å; L55-A58 PolarHBondContact O-N 2.86Å; L55-V59 WeakPolarHBondContact O-CB 3.35Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.49Å; L55-V59 PolarHBondContact O-N 2.94Å; L55-L100 HydrophobicContact CD2-CB 4.18Å; L55-L100 HydrophobicContact CD2-CD1 4.28Å; L55-A105 HydrophobicContact CD1-CB 4.04Å; L55-A105 HydrophobicContact CD2-CB 3.87Å; L55-A105 HydrophobicContact CG-CB 4.1Å; L55-V109 HydrophobicContact CD1-CG1 3.93Å; L55-V109 HydrophobicContact CD1-CG2 4.14Å
56S96.8Very high95.9Very high70 Ų7071.5 Ų71.549%0.4937%0.372SS..Hα-helixtrans-60.4-46.3177.1-67.50000111.7R52 I53 V59 L60R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.41Å; R52-S56 PolarHBondContact O-OG 3.1Å; I53-S56 PolarHBondContact O-N 2.95Å; S56-V59 PolarHBondContact O-N 3.41Å; S56-L60 VanDerWaalsContact O-CG 3.3Å; S56-L60 WeakPolarHBondContact O-CG 3.44Å; S56-L60 PolarHBondContact O-N 3.05Å
57V97.3Very high96.1Very high73 Ų7375.1 Ų75.144%0.44238%0.376SS..Hα-helixtrans-63.5-44.4177173.20000111I53 V54 L55 V59 L60 I61I53-V57 HydrophobicContact CG2-CG2 4.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.38Å; I53-V57 PolarHBondContact O-N 3.02Å; V54-V57 PolarHBondContact O-N 3.49Å; L55-V57 PolarHBondContact O-N 3.5Å; V57-V59 VanDerWaalsContact C-N 3.33Å; V57-V59 PolarHBondContact O-N 3.01Å; V57-L60 PolarHBondContact O-N 3.46Å; V57-I61 HydrophobicContact CG1-CD1 3.87Å; V57-I61 HydrophobicContact CG1-CG1 4.47Å; V57-I61 WeakPolarHBondContact O-CG1 3.34Å; V57-I61 PolarHBondContact O-N 3.48Å
58A96.9Very high96.2Very high4 Ų473 Ų733%0.03338%0.376CS..Hα-helixtrans-60.7-41.8177.800000112.3V54 L55 I61 H62 F96 L97 L100V54-A58 WeakPolarHBondContact O-CB 3.43Å; V54-A58 PolarHBondContact O-N 3.42Å; L55-A58 PolarHBondContact O-N 2.86Å; A58-I61 PolarHBondContact O-N 3.28Å; A58-H62 WeakPolarHBondContact O-CB 3.11Å; A58-H62 PolarHBondContact O-N 3.01Å; A58-F96 HydrophobicContact CB-CD1 4.18Å; A58-F96 HydrophobicContact CB-CE1 3.91Å; A58-L97 HydrophobicContact CB-CD1 4.14Å; A58-L100 HydrophobicContact CB-CD1 3.6Å
59V97.7Very high96.2Very high61 Ų6174.3 Ų74.337%0.3738%0.38SS..Hα-helixtrans-65.6-42.6176170.10000111.1L55 S56 V57 I61 H62 L63 L97L55-V59 WeakPolarHBondContact O-CB 3.35Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.49Å; L55-V59 PolarHBondContact O-N 2.94Å; S56-V59 PolarHBondContact O-N 3.41Å; V57-V59 VanDerWaalsContact C-N 3.33Å; V57-V59 PolarHBondContact O-N 3.01Å; V59-I61 PolarHBondContact O-N 3.06Å; V59-H62 PolarHBondContact O-N 2.86Å; V59-L63 HydrophobicContact CG1-CD1 3.99Å; V59-L63 HydrophobicContact CG1-CG 4.28Å; V59-L63 VanDerWaalsContact O-CG 3.31Å; V59-L63 WeakPolarHBondContact O-CG 3.49Å; V59-L63 PolarHBondContact O-N 3.33Å; V59-L97 HydrophobicContact CG2-CD1 4.04Å
60L98Very high96.1Very high108 Ų10872.2 Ų72.257%0.56537%0.374SS*.Hα-helixtrans-61.9-44.5177.2-71.8173.1000111.9S56 V57 H62 L63 C64S56-L60 VanDerWaalsContact O-CG 3.3Å; S56-L60 WeakPolarHBondContact O-CG 3.44Å; S56-L60 PolarHBondContact O-N 3.05Å; V57-L60 PolarHBondContact O-N 3.46Å; L60-H62 VanDerWaalsContact C-N 3.32Å; L60-H62 PolarHBondContact O-N 3.43Å; L60-L63 PolarHBondContact O-N 3.41Å; L60-C64 PolarHBondContact O-N 3.11Å; L60-C64 PolarHBondContact O-SG 3.11Å; L60-C64 VanDerWaalsContact O-SG 3.41Å
61I96.9Very high96Very high87 Ų8769.4 Ų69.445%0.44637%0.369SS..Hα-helixtrans-58.6-47.2174.5-68.2166.8000109.9V57 A58 V59 L63 C64 S65V57-I61 HydrophobicContact CG1-CD1 3.87Å; V57-I61 HydrophobicContact CG1-CG1 4.47Å; V57-I61 WeakPolarHBondContact O-CG1 3.34Å; V57-I61 PolarHBondContact O-N 3.48Å; A58-I61 PolarHBondContact O-N 3.28Å; V59-I61 PolarHBondContact O-N 3.06Å; I61-L63 PolarHBondContact O-N 3.49Å; I61-C64 PolarHBondContact O-N 3.47Å; I61-S65 WeakPolarHBondContact O-CB 3.07Å; I61-S65 PolarHBondContact O-N 2.96Å; I61-S65 PolarHBondContact O-OG 2.91Å
62H97.5Very high95.8Very high35 Ų3569 Ų6916%0.16237%0.372CS..Hα-helixtrans-61.6-41.9179.4-175.458.9000112.7A58 V59 L60 S65 S66 F90 S93 L97A58-H62 WeakPolarHBondContact O-CB 3.11Å; A58-H62 PolarHBondContact O-N 3.01Å; V59-H62 PolarHBondContact O-N 2.86Å; L60-H62 VanDerWaalsContact C-N 3.32Å; L60-H62 PolarHBondContact O-N 3.43Å; H62-S65 PolarHBondContact O-N 3.31Å; H62-S66 VanDerWaalsContact O-CB 3.24Å; H62-S66 WeakPolarHBondContact O-CB 3.35Å; H62-S66 PolarHBondContact O-N 2.99Å; H62-F90 AromaticContact CE1-CE2 3.41Å; H62-F90 VanDerWaalsContact CE1-CE2 3.41Å; H62-F90 WeakPolarHBondContact CE1-CE2 3.47Å; H62-S93 PolarHBondContact ND1-OG 3.07Å; H62-L97 HydrophobicContact CB-CD2 4.46Å
63L97.9Very high95.4Very high103 Ų10367.1 Ų67.154%0.53938%0.376SS..Hα-helixtrans-63.7-44176-71.3173.6000111.6V59 L60 I61 S66 Y67V59-L63 HydrophobicContact CG1-CD1 3.99Å; V59-L63 HydrophobicContact CG1-CG 4.28Å; V59-L63 VanDerWaalsContact O-CG 3.31Å; V59-L63 WeakPolarHBondContact O-CG 3.49Å; V59-L63 PolarHBondContact O-N 3.33Å; L60-L63 PolarHBondContact O-N 3.41Å; I61-L63 PolarHBondContact O-N 3.49Å; L63-S66 PolarHBondContact O-N 3.34Å; L63-Y67 WeakPolarHBondContact O-CB 3.22Å; L63-Y67 PolarHBondContact O-N 2.84Å
64C97Very high94.9Very high81 Ų8164.9 Ų64.955%0.54737%0.366SS..Hα-helixtrans-62.7-48.1175.5-72.20000111.7L60 I61 S66 Y67 C68L60-C64 PolarHBondContact O-N 3.11Å; L60-C64 PolarHBondContact O-SG 3.11Å; L60-C64 VanDerWaalsContact O-SG 3.41Å; I61-C64 PolarHBondContact O-N 3.47Å; C64-S66 VanDerWaalsContact C-N 3.33Å; C64-S66 PolarHBondContact O-N 2.96Å; C64-Y67 WeakPolarHBondContact O-CB 3.48Å; C64-Y67 PolarHBondContact O-N 3.22Å; C64-C68 PolarHBondContact O-N 3.39Å; C64-C68 PolarHBondContact O-SG 3.08Å
65S95.9Very high94.5Very high17 Ų1763 Ų6312%0.11935%0.354CS..Hα-helixtrans-61.9-40.7177.2-63.20000112I61 H62 Y67 C68 W69I61-S65 WeakPolarHBondContact O-CB 3.07Å; I61-S65 PolarHBondContact O-N 2.96Å; I61-S65 PolarHBondContact O-OG 2.91Å; H62-S65 PolarHBondContact O-N 3.31Å; S65-Y67 VanDerWaalsContact C-N 3.33Å; S65-Y67 PolarHBondContact O-N 3.5Å; S65-C68 PolarHBondContact O-N 3.37Å; S65-W69 WeakPolarHBondContact O-CB 3.4Å; S65-W69 PolarHBondContact O-N 3.05Å
66S95.8Very high93.9Very high28 Ų2870.4 Ų70.420%0.19638%0.382CS..Hα-helixtrans-64.1-38.9174.8-175.20000112H62 L63 C64 L70H62-S66 VanDerWaalsContact O-CB 3.24Å; H62-S66 WeakPolarHBondContact O-CB 3.35Å; H62-S66 PolarHBondContact O-N 2.99Å; L63-S66 PolarHBondContact O-N 3.34Å; C64-S66 VanDerWaalsContact C-N 3.33Å; C64-S66 PolarHBondContact O-N 2.96Å; S66-L70 WeakPolarHBondContact O-CB 3.41Å; S66-L70 VanDerWaalsContact O-CG 3.24Å; S66-L70 WeakPolarHBondContact O-CG 3.44Å; S66-L70 PolarHBondContact O-N 2.88Å
67Y95.7Very high93.5Very high160 Ų16074.4 Ų74.463%0.62739%0.393SS*.Hα-helixtrans-65.7-47.2176.4176.6-100.3000111.4L63 C64 S65 W69 L70 V71L63-Y67 WeakPolarHBondContact O-CB 3.22Å; L63-Y67 PolarHBondContact O-N 2.84Å; C64-Y67 WeakPolarHBondContact O-CB 3.48Å; C64-Y67 PolarHBondContact O-N 3.22Å; S65-Y67 VanDerWaalsContact C-N 3.33Å; S65-Y67 PolarHBondContact O-N 3.5Å; Y67-W69 VanDerWaalsContact C-N 3.29Å; Y67-W69 PolarHBondContact O-N 3.28Å; Y67-L70 PolarHBondContact O-N 3.06Å; Y67-V71 HydrophobicContact CD2-CG2 4.21Å; Y67-V71 HydrophobicContact CE1-CG2 4.15Å; Y67-V71 HydrophobicContact CE2-CG2 3.78Å; Y67-V71 WeakPolarHBondContact O-CG2 3.27Å; Y67-V71 PolarHBondContact O-N 3.16Å; Y67-V71 VanDerWaalsContact O-N 3.1Å
68C93.3Very high92.8Very high75 Ų7572 Ų7251%0.50738%0.381SS..Hα-helixtrans-58.2-42.6175.7-67.50000111.8C64 S65 D72C64-C68 PolarHBondContact O-N 3.39Å; C64-C68 PolarHBondContact O-SG 3.08Å; S65-C68 PolarHBondContact O-N 3.37Å; C68-D72 PolarHBondContact O-N 3.28Å
69W92.8Very high92.3Very high29 Ų2974.6 Ų74.611%0.1141%0.408CS..Hα-helixtrans-62.6-42.9176.5176.642.3000112.9S65 Y67 D72 T75 F80 S83 L84 H87 F90S65-W69 WeakPolarHBondContact O-CB 3.4Å; S65-W69 PolarHBondContact O-N 3.05Å; Y67-W69 VanDerWaalsContact C-N 3.29Å; Y67-W69 PolarHBondContact O-N 3.28Å; W69-D72 PolarHBondContact O-N 3.47Å; W69-T75 HydrophobicContact CZ2-CG2 4.46Å; W69-T75 PolarHBondContact NE1-OG1 2.9Å; W69-T75 PolarHBondContact O-OG1 3.15Å; W69-F80 AromaticContact CH2-CE2 3.85Å; W69-F80 HydrophobicContact CH2-CE2 3.85Å; W69-F80 HydrophobicContact CZ2-CD2 4.45Å; W69-F80 HydrophobicContact CZ2-CE2 4.13Å; W69-S83 PolarHBondContact NE1-OG 3.46Å; W69-L84 HydrophobicContact CH2-CD2 4.26Å; W69-L84 HydrophobicContact CZ2-CD2 3.86Å; W69-H87 AromaticContact CD1-CD2 3.19Å; W69-H87 AromaticContact CD1-CG 3.37Å; W69-H87 AromaticContact CD1-NE2 3.74Å; W69-H87 HydrophobicContact CG-CB 4.34Å; W69-H87 AromaticContact NE1-CD2 3.67Å; W69-F90 HydrophobicContact CB-CB 4.33Å; W69-F90 HydrophobicContact CD2-CD1 4.15Å; W69-F90 HydrophobicContact CD2-CE1 4.41Å; W69-F90 HydrophobicContact CD2-CG 4.28Å; W69-F90 AromaticContact CE3-CD1 3.96Å; W69-F90 HydrophobicContact CE3-CD1 3.96Å; W69-F90 HydrophobicContact CE3-CD2 4.11Å; W69-F90 AromaticContact CE3-CE1 3.83Å; W69-F90 HydrophobicContact CE3-CE1 3.83Å; W69-F90 AromaticContact CE3-CE2 3.98Å; W69-F90 HydrophobicContact CE3-CE2 3.98Å; W69-F90 HydrophobicContact CE3-CG 4.09Å; W69-F90 AromaticContact CE3-CZ 3.84Å; W69-F90 HydrophobicContact CE3-CZ 3.84Å; W69-F90 HydrophobicContact CG-CG 4.47Å; W69-F90 HydrophobicContact CH2-CE1 4.26Å; W69-F90 HydrophobicContact CZ3-CD1 4.3Å; W69-F90 AromaticContact CZ3-CE1 3.75Å; W69-F90 HydrophobicContact CZ3-CE1 3.75Å; W69-F90 HydrophobicContact CZ3-CE2 4.29Å; W69-F90 AromaticContact CZ3-CZ 3.74Å; W69-F90 HydrophobicContact CZ3-CZ 3.74Å
70L92.2Very high91.9Very high84 Ų8478.3 Ų78.344%0.4442%0.42SS..Hα-helixtrans-73.1-27.3-177.4-74.3168.8000114.2S66 Y67 Y76S66-L70 WeakPolarHBondContact O-CB 3.41Å; S66-L70 VanDerWaalsContact O-CG 3.24Å; S66-L70 WeakPolarHBondContact O-CG 3.44Å; S66-L70 PolarHBondContact O-N 2.88Å; Y67-L70 PolarHBondContact O-N 3.06Å; L70-Y76 PolarHBondContact O-OH 2.9Å
71V93.1Very high91.4Very high91 Ų9178.5 Ų78.555%0.55242%0.42SS*.Hα-helixtrans-84.8-16.5178.51770000111.8Y67Y67-V71 HydrophobicContact CD2-CG2 4.21Å; Y67-V71 HydrophobicContact CE1-CG2 4.15Å; Y67-V71 HydrophobicContact CE2-CG2 3.78Å; Y67-V71 WeakPolarHBondContact O-CG2 3.27Å; Y67-V71 PolarHBondContact O-N 3.16Å; Y67-V71 VanDerWaalsContact O-N 3.1Å
72D90.9Very high91.1Very high50 Ų5075.6 Ų75.627%0.26741%0.411SS..  trans-67.8123179.1-165.4-37.8000111.3C68 W69 V74 T75 H87C68-D72 PolarHBondContact O-N 3.28Å; W69-D72 PolarHBondContact O-N 3.47Å; D72-V74 PolarHBondContact O-N 3.08Å; D72-V74 VanDerWaalsContact OD1-CB 3.23Å; D72-V74 WeakPolarHBondContact OD1-CB 3.35Å; D72-V74 VanDerWaalsContact OD1-CG2 3.3Å; D72-V74 WeakPolarHBondContact OD1-CG2 3.47Å; D72-V74 PolarHBondContact OD1-N 3.26Å; D72-T75 VanDerWaalsContact O-CB 3.28Å; D72-T75 WeakPolarHBondContact O-CB 3.3Å; D72-T75 PolarHBondContact O-N 3.28Å; D72-T75 VanDerWaalsContact O-N 3.1Å; D72-T75 PolarHBondContact O-OG1 3.44Å; D72-H87 IonicContact OD2-CE1 3.1Å; D72-H87 PolarHBondContact OD2-CE1 3.45Å; D72-H87 IonicContact OD2-NE2 3.57Å
73P88.3Confident90.8Very high86 Ų8674 Ų7456%0.55840%0.404SS*.THydrogen-bonded Turntrans-58.7-27.3176.124.9-35.9000113.6T75 Y76 Q77P73-T75 PolarHBondContact O-N 3.11Å; P73-Y76 PolarHBondContact O-N 3.18Å; P73-Q77 WeakPolarHBondContact O-CG 3.31Å
74V86.9Confident90.4Very high36 Ų3670.7 Ų70.722%0.21839%0.386CS..Hα-helixtrans-65.9-25179.1-178.20000111.8D72 Y76 Q77 A78 K86D72-V74 PolarHBondContact O-N 3.08Å; D72-V74 VanDerWaalsContact OD1-CB 3.23Å; D72-V74 WeakPolarHBondContact OD1-CB 3.35Å; D72-V74 VanDerWaalsContact OD1-CG2 3.3Å; D72-V74 WeakPolarHBondContact OD1-CG2 3.47Å; D72-V74 PolarHBondContact OD1-N 3.26Å; V74-Y76 PolarHBondContact O-N 3.46Å; V74-Q77 PolarHBondContact O-N 3.09Å; V74-A78 PolarHBondContact O-N 3.29Å; V74-K86 HydrophobicContact CG1-CD 3.36Å; V74-K86 VanDerWaalsContact CG1-NZ 3.28Å
75T86.8Confident90.1Very high21 Ų2174.1 Ų74.113%0.12939%0.394CS..Hα-helixtrans-59.9-32.1178-65.10000113W69 D72 P73W69-T75 HydrophobicContact CZ2-CG2 4.46Å; W69-T75 PolarHBondContact NE1-OG1 2.9Å; W69-T75 PolarHBondContact O-OG1 3.15Å; D72-T75 VanDerWaalsContact O-CB 3.28Å; D72-T75 WeakPolarHBondContact O-CB 3.3Å; D72-T75 PolarHBondContact O-N 3.28Å; D72-T75 VanDerWaalsContact O-N 3.1Å; D72-T75 PolarHBondContact O-OG1 3.44Å; P73-T75 PolarHBondContact O-N 3.11Å
76Y84.7Confident89.8Confident180 Ų18079.1 Ų79.171%0.70641%0.414SS*.Hα-helixtrans-90.6-14.9177.2-55.9-80.2000113.2L70 P73 V74L70-Y76 PolarHBondContact O-OH 2.9Å; P73-Y76 PolarHBondContact O-N 3.18Å; V74-Y76 PolarHBondContact O-N 3.46Å
77Q88.3Confident89.6Confident153 Ų15378.1 Ų78.172%0.71541%0.406SS*.Hα-helixtrans-89.3-34.2-178.2-65.6176.77.300112.4P73 V74P73-Q77 WeakPolarHBondContact O-CG 3.31Å; V74-Q77 PolarHBondContact O-N 3.09Å
78A82.8Confident89.5Confident24 Ų2473.9 Ų73.920%0.19840%0.398CS..SBendtrans-92.3147.7174.600000110.6V74V74-A78 PolarHBondContact O-N 3.29Å
79G86.8Confident89.5Confident58 Ų5873.9 Ų73.960%0.59839%0.391SS*.  trans-59.7159.2165.600000110.9I81 G82 S83G79-I81 PolarHBondContact O-N 2.84Å; G79-G82 CarbonylContact O-C 3.51Å; G79-G82 WeakPolarHBondContact O-CA 3.38Å; G79-G82 PolarHBondContact O-N 3.22Å; G79-S83 PolarHBondContact O-N 3.31Å
80F87.7Confident89.6Confident139 Ų13973.5 Ų73.561%0.6139%0.39SS*.Hα-helixtrans-48.1-50.8-171180-105.7000114.8W69 S83 L84W69-F80 AromaticContact CH2-CE2 3.85Å; W69-F80 HydrophobicContact CH2-CE2 3.85Å; W69-F80 HydrophobicContact CZ2-CD2 4.45Å; W69-F80 HydrophobicContact CZ2-CE2 4.13Å; F80-S83 WeakPolarHBondContact O-CB 3.45Å; F80-S83 PolarHBondContact O-N 3.05Å; F80-L84 HydrophobicContact CD1-CD1 4.06Å; F80-L84 HydrophobicContact CE1-CD1 3.52Å; F80-L84 HydrophobicContact CE1-CG 4.38Å; F80-L84 HydrophobicContact CE2-CD1 4.46Å; F80-L84 HydrophobicContact CZ-CD1 3.75Å; F80-L84 HydrophobicContact CZ-CG 4.34Å; F80-L84 WeakPolarHBondContact O-CG 3.48Å; F80-L84 PolarHBondContact O-N 3.01Å
81I89.2Confident89.7Confident112 Ų11271.8 Ų71.857%0.57438%0.383SS*.Hα-helixtrans-63.8-43.3178.6-58.5-60.8000111.3G79 S83 L84 E85G79-I81 PolarHBondContact O-N 2.84Å; I81-S83 VanDerWaalsContact C-N 3.29Å; I81-S83 PolarHBondContact O-N 3.3Å; I81-L84 PolarHBondContact O-N 3.41Å; I81-E85 PolarHBondContact O-N 3.04Å
82G89.7Confident89.8Confident25 Ų2572.9 Ų72.926%0.25839%0.385SS..Hα-helixtrans-67.9-27.8177.200000113.5G79 K86G79-G82 CarbonylContact O-C 3.51Å; G79-G82 WeakPolarHBondContact O-CA 3.38Å; G79-G82 PolarHBondContact O-N 3.22Å; G82-K86 WeakPolarHBondContact O-CG 3.44Å
83S90.7Very high90.1Very high1 Ų171 Ų711%0.00738%0.376CS..Hα-helixtrans-67.9-47.9169.2173.20000110W69 G79 F80 I81 E85 K86 H87W69-S83 PolarHBondContact NE1-OG 3.46Å; G79-S83 PolarHBondContact O-N 3.31Å; F80-S83 WeakPolarHBondContact O-CB 3.45Å; F80-S83 PolarHBondContact O-N 3.05Å; I81-S83 VanDerWaalsContact C-N 3.29Å; I81-S83 PolarHBondContact O-N 3.3Å; S83-E85 VanDerWaalsContact C-N 3.3Å; S83-E85 PolarHBondContact O-N 3.35Å; S83-K86 WeakPolarHBondContact O-CB 3.41Å; S83-K86 PolarHBondContact O-N 2.9Å; S83-H87 PolarHBondContact O-CD2 3.17Å; S83-H87 PolarHBondContact O-N 3.22Å
84L90.8Very high90.5Very high34 Ų3470 Ų7018%0.17837%0.365CS..Hα-helixtrans-59-38.4177.8-69.6176.9000113.3W69 F80 I81 K86 H87 F90 V91W69-L84 HydrophobicContact CH2-CD2 4.26Å; W69-L84 HydrophobicContact CZ2-CD2 3.86Å; F80-L84 HydrophobicContact CD1-CD1 4.06Å; F80-L84 HydrophobicContact CE1-CD1 3.52Å; F80-L84 HydrophobicContact CE1-CG 4.38Å; F80-L84 HydrophobicContact CE2-CD1 4.46Å; F80-L84 HydrophobicContact CZ-CD1 3.75Å; F80-L84 HydrophobicContact CZ-CG 4.34Å; F80-L84 WeakPolarHBondContact O-CG 3.48Å; F80-L84 PolarHBondContact O-N 3.01Å; I81-L84 PolarHBondContact O-N 3.41Å; L84-K86 PolarHBondContact O-N 3.48Å; L84-H87 CarbonylContact O-C 3.44Å; L84-H87 PolarHBondContact O-N 3.21Å; L84-H87 VanDerWaalsContact O-N 3.11Å; L84-F90 HydrophobicContact CD2-CD1 3.68Å; L84-F90 HydrophobicContact CD2-CE1 3.78Å; L84-V91 HydrophobicContact CB-CG2 4.15Å; L84-V91 HydrophobicContact CD2-CG2 4.2Å
85E88.8Confident91Very high153 Ų15372.9 Ų72.972%0.71538%0.379SS*.Hα-helixtrans-62.1-30.4175.6-74.4-179.816700113I81 S83 H87I81-E85 PolarHBondContact O-N 3.04Å; S83-E85 VanDerWaalsContact C-N 3.3Å; S83-E85 PolarHBondContact O-N 3.35Å; E85-H87 VanDerWaalsContact C-N 3.33Å
86K90.6Very high91.4Very high123 Ų12377.1 Ų77.154%0.53540%0.396SS..Hα-helixtrans-81.6-12.7176.8-68.4-176.4-176.7179.30113.6V74 G82 S83 L84 P88V74-K86 HydrophobicContact CG1-CD 3.36Å; V74-K86 VanDerWaalsContact CG1-NZ 3.28Å; G82-K86 WeakPolarHBondContact O-CG 3.44Å; S83-K86 WeakPolarHBondContact O-CB 3.41Å; S83-K86 PolarHBondContact O-N 2.9Å; L84-K86 PolarHBondContact O-N 3.48Å; K86-P88 VanDerWaalsContact O-CD 3.28Å; K86-P88 WeakPolarHBondContact O-CD 3.32Å
87H92.3Very high92Very high7 Ų769.5 Ų69.53%0.03237%0.367CS..  trans-121.763-176.7-68.8-72.7000112.2W69 D72 S83 L84 E85 E89 F90 V91W69-H87 AromaticContact CD1-CD2 3.19Å; W69-H87 AromaticContact CD1-CG 3.37Å; W69-H87 AromaticContact CD1-NE2 3.74Å; W69-H87 HydrophobicContact CG-CB 4.34Å; W69-H87 AromaticContact NE1-CD2 3.67Å; D72-H87 IonicContact OD2-CE1 3.1Å; D72-H87 PolarHBondContact OD2-CE1 3.45Å; D72-H87 IonicContact OD2-NE2 3.57Å; S83-H87 PolarHBondContact O-CD2 3.17Å; S83-H87 PolarHBondContact O-N 3.22Å; L84-H87 CarbonylContact O-C 3.44Å; L84-H87 PolarHBondContact O-N 3.21Å; L84-H87 VanDerWaalsContact O-N 3.11Å; E85-H87 VanDerWaalsContact C-N 3.33Å; H87-E89 VanDerWaalsContact C-OE2 3.28Å; H87-E89 WeakPolarHBondContact CA-OE2 3.45Å; H87-E89 IonicContact CG-OE1 3.64Å; H87-E89 IonicContact ND1-OE1 2.92Å; H87-E89 PolarHBondContact ND1-OE1 2.77Å; H87-E89 PolarHBondContact O-N 2.82Å; H87-F90 HydrophobicContact CB-CB 4.43Å; H87-F90 PolarHBondContact O-N 3.05Å; H87-V91 PolarHBondContact O-N 3.2Å
88P92.9Very high92.4Very high70 Ų7066.2 Ų66.246%0.45535%0.353SS..Hα-helixtrans-59.9-29.2-178.826.4-35.6000112.9K86 F90 V91 L92K86-P88 VanDerWaalsContact O-CD 3.28Å; K86-P88 WeakPolarHBondContact O-CD 3.32Å; P88-F90 VanDerWaalsContact C-N 3.34Å; P88-F90 PolarHBondContact O-N 3.29Å; P88-V91 PolarHBondContact O-N 2.83Å; P88-L92 VanDerWaalsContact O-CB 3.28Å; P88-L92 WeakPolarHBondContact O-CB 3.5Å; P88-L92 VanDerWaalsContact O-CG 3.22Å; P88-L92 WeakPolarHBondContact O-CG 3.09Å; P88-L92 PolarHBondContact O-N 3.29Å
89E93Very high93Very high76 Ų7667.2 Ų67.236%0.35536%0.361SS..Hα-helixtrans-59.5-42.5176.966.8-73.2176.700112.4H87 S93H87-E89 VanDerWaalsContact C-OE2 3.28Å; H87-E89 WeakPolarHBondContact CA-OE2 3.45Å; H87-E89 IonicContact CG-OE1 3.64Å; H87-E89 IonicContact ND1-OE1 2.92Å; H87-E89 PolarHBondContact ND1-OE1 2.77Å; H87-E89 PolarHBondContact O-N 2.82Å; E89-S93 WeakPolarHBondContact O-CB 2.97Å; E89-S93 PolarHBondContact O-N 3.32Å; E89-S93 PolarHBondContact O-OG 3.11Å
90F94.3Very high93.5Very high20 Ų2065 Ų659%0.08834%0.335CS..Hα-helixtrans-67.7-48.9177.1173.4-105.7000110.4H62 W69 L84 H87 P88 L92 S93 L94H62-F90 AromaticContact CE1-CE2 3.41Å; H62-F90 VanDerWaalsContact CE1-CE2 3.41Å; H62-F90 WeakPolarHBondContact CE1-CE2 3.47Å; W69-F90 HydrophobicContact CB-CB 4.33Å; W69-F90 HydrophobicContact CD2-CD1 4.15Å; W69-F90 HydrophobicContact CD2-CE1 4.41Å; W69-F90 HydrophobicContact CD2-CG 4.28Å; W69-F90 AromaticContact CE3-CD1 3.96Å; W69-F90 HydrophobicContact CE3-CD1 3.96Å; W69-F90 HydrophobicContact CE3-CD2 4.11Å; W69-F90 AromaticContact CE3-CE1 3.83Å; W69-F90 HydrophobicContact CE3-CE1 3.83Å; W69-F90 AromaticContact CE3-CE2 3.98Å; W69-F90 HydrophobicContact CE3-CE2 3.98Å; W69-F90 HydrophobicContact CE3-CG 4.09Å; W69-F90 AromaticContact CE3-CZ 3.84Å; W69-F90 HydrophobicContact CE3-CZ 3.84Å; W69-F90 HydrophobicContact CG-CG 4.47Å; W69-F90 HydrophobicContact CH2-CE1 4.26Å; W69-F90 HydrophobicContact CZ3-CD1 4.3Å; W69-F90 AromaticContact CZ3-CE1 3.75Å; W69-F90 HydrophobicContact CZ3-CE1 3.75Å; W69-F90 HydrophobicContact CZ3-CE2 4.29Å; W69-F90 AromaticContact CZ3-CZ 3.74Å; W69-F90 HydrophobicContact CZ3-CZ 3.74Å; L84-F90 HydrophobicContact CD2-CD1 3.68Å; L84-F90 HydrophobicContact CD2-CE1 3.78Å; H87-F90 HydrophobicContact CB-CB 4.43Å; H87-F90 PolarHBondContact O-N 3.05Å; P88-F90 VanDerWaalsContact C-N 3.34Å; P88-F90 PolarHBondContact O-N 3.29Å; F90-L92 PolarHBondContact O-N 3.41Å; F90-S93 PolarHBondContact O-N 3.4Å; F90-S93 PolarHBondContact O-OG 2.99Å; F90-L94 HydrophobicContact CE1-CD2 4.41Å; F90-L94 HydrophobicContact CZ-CD2 4.46Å; F90-L94 WeakPolarHBondContact O-CB 3.47Å; F90-L94 PolarHBondContact O-N 2.7Å
91V95.5Very high93.8Very high48 Ų4863.5 Ų63.529%0.29133%0.329SS..Hα-helixtrans-60-46.8-179.8-179.90000111.2L84 H87 P88 S93 L94 L95L84-V91 HydrophobicContact CB-CG2 4.15Å; L84-V91 HydrophobicContact CD2-CG2 4.2Å; H87-V91 PolarHBondContact O-N 3.2Å; P88-V91 PolarHBondContact O-N 2.83Å; V91-S93 PolarHBondContact O-N 3.29Å; V91-L94 PolarHBondContact O-N 3.05Å; V91-L95 HydrophobicContact CG1-CD1 4.04Å; V91-L95 HydrophobicContact CG1-CG 4.34Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.13Å; V91-L95 PolarHBondContact O-N 2.94Å
92L95.8Very high94.1Very high115 Ų11566.2 Ų66.260%0.60234%0.337SS*.Hα-helixtrans-63.3-42.5178-72.6172.4000112P88 F90 L94 L95 F96P88-L92 VanDerWaalsContact O-CB 3.28Å; P88-L92 WeakPolarHBondContact O-CB 3.5Å; P88-L92 VanDerWaalsContact O-CG 3.22Å; P88-L92 WeakPolarHBondContact O-CG 3.09Å; P88-L92 PolarHBondContact O-N 3.29Å; F90-L92 PolarHBondContact O-N 3.41Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.38Å; L92-L95 PolarHBondContact O-N 2.94Å; L92-F96 VanDerWaalsContact O-CB 3.29Å; L92-F96 WeakPolarHBondContact O-CB 3.38Å; L92-F96 PolarHBondContact O-N 3.42Å
93S96.6Very high94.3Very high11 Ų1170.7 Ų70.78%0.07735%0.354CS..Hα-helixtrans-61.6-40.6176.676.90000111.8H62 E89 F90 V91 L97H62-S93 PolarHBondContact ND1-OG 3.07Å; E89-S93 WeakPolarHBondContact O-CB 2.97Å; E89-S93 PolarHBondContact O-N 3.32Å; E89-S93 PolarHBondContact O-OG 3.11Å; F90-S93 PolarHBondContact O-N 3.4Å; F90-S93 PolarHBondContact O-OG 2.99Å; V91-S93 PolarHBondContact O-N 3.29Å; S93-L97 WeakPolarHBondContact O-CB 3.23Å; S93-L97 PolarHBondContact O-N 2.96Å
94L96.7Very high94.3Very high63 Ų6371.3 Ų71.333%0.3336%0.361SS..Hα-helixtrans-67.8-46.8178.5-179.561.2000111.2F90 V91 L92 F96 L97 M98F90-L94 HydrophobicContact CE1-CD2 4.41Å; F90-L94 HydrophobicContact CZ-CD2 4.46Å; F90-L94 WeakPolarHBondContact O-CB 3.47Å; F90-L94 PolarHBondContact O-N 2.7Å; V91-L94 PolarHBondContact O-N 3.05Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.38Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 3.47Å; L94-L97 PolarHBondContact O-N 2.9Å; L94-M98 HydrophobicContact CG-SD 4.33Å; L94-M98 WeakPolarHBondContact O-CB 3.46Å; L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 3.31Å
95L96.7Very high94.4Very high97 Ų9769.7 Ų69.751%0.50835%0.352SS..Hα-helixtrans-60.8-41.9176.2-72.3177.5000111.7V91 L92 M98 A99V91-L95 HydrophobicContact CG1-CD1 4.04Å; V91-L95 HydrophobicContact CG1-CG 4.34Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.13Å; V91-L95 PolarHBondContact O-N 2.94Å; L92-L95 PolarHBondContact O-N 2.94Å; L95-M98 PolarHBondContact O-N 3.12Å; L95-A99 WeakPolarHBondContact O-CB 3.5Å; L95-A99 PolarHBondContact O-N 3.44Å
96F96Very high94.6Very high111 Ų11167.1 Ų67.149%0.48734%0.34SS..Hα-helixtrans-62.9-44.4175.6-179.8-110.3000111.8A58 L92 L94 A99 L100A58-F96 HydrophobicContact CB-CD1 4.18Å; A58-F96 HydrophobicContact CB-CE1 3.91Å; L92-F96 VanDerWaalsContact O-CB 3.29Å; L92-F96 WeakPolarHBondContact O-CB 3.38Å; L92-F96 PolarHBondContact O-N 3.42Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 3.47Å; F96-A99 PolarHBondContact O-N 3.22Å; F96-L100 HydrophobicContact CD1-CD1 4.01Å; F96-L100 HydrophobicContact CE1-CD1 3.55Å; F96-L100 HydrophobicContact CE1-CG 4.24Å; F96-L100 HydrophobicContact CE2-CG 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.88Å; F96-L100 HydrophobicContact CZ-CD2 4.29Å; F96-L100 HydrophobicContact CZ-CG 4.18Å; F96-L100 WeakPolarHBondContact O-CG 3.32Å; F96-L100 PolarHBondContact O-N 3.02Å
97L96.7Very high94.7Very high20 Ų2069 Ų6911%0.10535%0.348CS..Hα-helixtrans-61.7-45.5176.2-172.165.3000111.2A58 V59 H62 S93 L94 A99 L100 F101A58-L97 HydrophobicContact CB-CD1 4.14Å; V59-L97 HydrophobicContact CG2-CD1 4.04Å; H62-L97 HydrophobicContact CB-CD2 4.46Å; S93-L97 WeakPolarHBondContact O-CB 3.23Å; S93-L97 PolarHBondContact O-N 2.96Å; L94-L97 PolarHBondContact O-N 2.9Å; L97-A99 PolarHBondContact O-N 3.29Å; L97-L100 WeakPolarHBondContact O-CB 3.36Å; L97-L100 PolarHBondContact O-N 2.85Å; L97-F101 HydrophobicContact CD1-CD2 4.44Å; L97-F101 HydrophobicContact CD1-CE2 3.94Å; L97-F101 HydrophobicContact CD2-CE2 4.44Å; L97-F101 HydrophobicContact CG-CD2 4.16Å; L97-F101 HydrophobicContact CG-CE2 3.87Å; L97-F101 WeakPolarHBondContact O-CD2 3.39Å; L97-F101 PolarHBondContact O-N 3.12Å; L97-F101 VanDerWaalsContact O-N 3.11Å
98M96.7Very high94.7Very high84 Ų8472 Ų7241%0.41436%0.361SS..Hα-helixtrans-58.1-47.2174.2-73.2177.865.400111.5L94 L95 L100 F101 F102L94-M98 HydrophobicContact CG-SD 4.33Å; L94-M98 WeakPolarHBondContact O-CB 3.46Å; L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 3.31Å; L95-M98 PolarHBondContact O-N 3.12Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 3.14Å; M98-F101 WeakPolarHBondContact O-CB 3.33Å; M98-F101 PolarHBondContact O-N 2.71Å; M98-F101 VanDerWaalsContact O-N 3.11Å; M98-F102 HydrophobicContact CB-CD2 4.41Å; M98-F102 HydrophobicContact CB-CE2 4.3Å; M98-F102 HydrophobicContact CE-CE2 4.05Å; M98-F102 WeakPolarHBondContact O-CD2 3.46Å; M98-F102 PolarHBondContact O-N 3.01Å
99A96.3Very high94.8Very high44 Ų4469.3 Ų69.336%0.36434%0.344SS..Hα-helixtrans-58.8-42.4177.600000111.7L95 F96 L97 F101 F102 L103L95-A99 WeakPolarHBondContact O-CB 3.5Å; L95-A99 PolarHBondContact O-N 3.44Å; F96-A99 PolarHBondContact O-N 3.22Å; L97-A99 PolarHBondContact O-N 3.29Å; A99-F101 VanDerWaalsContact C-N 3.33Å; A99-F101 PolarHBondContact O-N 2.91Å; A99-F102 PolarHBondContact O-N 3.34Å; A99-L103 WeakPolarHBondContact O-CB 3.29Å; A99-L103 WeakPolarHBondContact O-CG 3.31Å; A99-L103 PolarHBondContact O-N 2.96Å
100L95.8Very high94.8Very high11 Ų1167.5 Ų67.56%0.05834%0.337CS..Hα-helixtrans-59.7-41.9174.8-72.8173.8000112.2W51 V54 L55 A58 F96 L97 M98 G104 A105W51-L100 HydrophobicContact CZ3-CD2 4.05Å; V54-L100 HydrophobicContact CG1-CD1 4.24Å; V54-L100 HydrophobicContact CG1-CD2 4.1Å; L55-L100 HydrophobicContact CD2-CB 4.18Å; L55-L100 HydrophobicContact CD2-CD1 4.28Å; A58-L100 HydrophobicContact CB-CD1 3.6Å; F96-L100 HydrophobicContact CD1-CD1 4.01Å; F96-L100 HydrophobicContact CE1-CD1 3.55Å; F96-L100 HydrophobicContact CE1-CG 4.24Å; F96-L100 HydrophobicContact CE2-CG 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.88Å; F96-L100 HydrophobicContact CZ-CD2 4.29Å; F96-L100 HydrophobicContact CZ-CG 4.18Å; F96-L100 WeakPolarHBondContact O-CG 3.32Å; F96-L100 PolarHBondContact O-N 3.02Å; L97-L100 WeakPolarHBondContact O-CB 3.36Å; L97-L100 PolarHBondContact O-N 2.85Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 3.14Å; L100-G104 PolarHBondContact O-N 2.63Å; L100-A105 HydrophobicContact CB-CB 4.25Å; L100-A105 WeakPolarHBondContact O-CB 3.26Å; L100-A105 PolarHBondContact O-N 3.35Å
101F94.8Very high94.8Very high108 Ų10870 Ų7047%0.47435%0.352SS..Hα-helixtrans-64-45.8175.4-81.6-71.1000112.2L97 M98 A99 L103 G104 H106L97-F101 HydrophobicContact CD1-CD2 4.44Å; L97-F101 HydrophobicContact CD1-CE2 3.94Å; L97-F101 HydrophobicContact CD2-CE2 4.44Å; L97-F101 HydrophobicContact CG-CD2 4.16Å; L97-F101 HydrophobicContact CG-CE2 3.87Å; L97-F101 WeakPolarHBondContact O-CD2 3.39Å; L97-F101 PolarHBondContact O-N 3.12Å; L97-F101 VanDerWaalsContact O-N 3.11Å; M98-F101 WeakPolarHBondContact O-CB 3.33Å; M98-F101 PolarHBondContact O-N 2.71Å; M98-F101 VanDerWaalsContact O-N 3.11Å; A99-F101 VanDerWaalsContact C-N 3.33Å; A99-F101 PolarHBondContact O-N 2.91Å; F101-L103 PolarHBondContact O-N 3.5Å; F101-G104 WeakPolarHBondContact O-CA 3.47Å; F101-G104 PolarHBondContact O-N 2.76Å; F101-H106 HydrophobicContact CD1-CB 4.1Å; F101-H106 HydrophobicContact CE1-CB 4.2Å
102F94.8Very high94.5Very high170 Ų17068.5 Ų68.575%0.74634%0.343SS*.Hα-helixtrans-65.5-36177.9-74.2-63.5000113.1M98 A99 G104M98-F102 HydrophobicContact CB-CD2 4.41Å; M98-F102 HydrophobicContact CB-CE2 4.3Å; M98-F102 HydrophobicContact CE-CE2 4.05Å; M98-F102 WeakPolarHBondContact O-CD2 3.46Å; M98-F102 PolarHBondContact O-N 3.01Å; A99-F102 PolarHBondContact O-N 3.34Å; F102-G104 PolarHBondContact O-N 2.8Å
103L93.6Very high94.3Very high118 Ų11865.8 Ų65.862%0.61833%0.333SS*.THydrogen-bonded Turntrans-70.64.8172-67.7173.6000113.5A99 F101 A105 K108A99-L103 WeakPolarHBondContact O-CB 3.29Å; A99-L103 WeakPolarHBondContact O-CG 3.31Å; A99-L103 PolarHBondContact O-N 2.96Å; F101-L103 PolarHBondContact O-N 3.5Å; L103-A105 PolarHBondContact O-N 3.2Å; L103-K108 PolarHBondContact O-NZ 2.9Å
104G91.6Very high94.2Very high14 Ų1469.2 Ų69.214%0.14435%0.35CS..THydrogen-bonded Turntrans72.426.717400000113.5L100 F101 F102 H106 K107 K108L100-G104 PolarHBondContact O-N 2.63Å; F101-G104 WeakPolarHBondContact O-CA 3.47Å; F101-G104 PolarHBondContact O-N 2.76Å; F102-G104 PolarHBondContact O-N 2.8Å; G104-H106 PolarHBondContact O-N 2.83Å; G104-K107 PolarHBondContact O-N 3.26Å; G104-K107 VanDerWaalsContact O-N 3.09Å; G104-K108 WeakPolarHBondContact O-CG 3.44Å; G104-K108 PolarHBondContact O-N 3.42Å; G104-K108 VanDerWaalsContact O-N 3.08Å
105A92.4Very high94Very high0 Ų068.3 Ų68.30%035%0.345CS..Hα-helixtrans-52.8-42.4174.600000111.2W51 L55 L100 L103 K107 K108 V109W51-A105 HydrophobicContact CD2-CB 4.5Å; W51-A105 HydrophobicContact CE3-CB 3.49Å; W51-A105 VanDerWaalsContact CE3-CB 3.49Å; W51-A105 HydrophobicContact CZ3-CB 3.62Å; L55-A105 HydrophobicContact CD1-CB 4.04Å; L55-A105 HydrophobicContact CD2-CB 3.87Å; L55-A105 HydrophobicContact CG-CB 4.1Å; L100-A105 HydrophobicContact CB-CB 4.25Å; L100-A105 WeakPolarHBondContact O-CB 3.26Å; L100-A105 PolarHBondContact O-N 3.35Å; L103-A105 PolarHBondContact O-N 3.2Å; A105-K107 PolarHBondContact O-N 3.46Å; A105-K108 WeakPolarHBondContact O-CB 3.45Å; A105-K108 PolarHBondContact O-N 3.09Å; A105-K108 VanDerWaalsContact O-N 3.16Å; A105-V109 PolarHBondContact O-N 2.75Å; A105-V109 VanDerWaalsContact O-N 3.11Å
106H92.5Very high93.8Very high99 Ų9963.8 Ų63.846%0.45832%0.322SS..Hα-helixtrans-57-49.7175.5-177.1-98.8000112.2F101 G104 K108 V109 V110F101-H106 HydrophobicContact CD1-CB 4.1Å; F101-H106 HydrophobicContact CE1-CB 4.2Å; G104-H106 PolarHBondContact O-N 2.83Å; H106-K108 PolarHBondContact O-N 3.15Å; H106-V109 WeakPolarHBondContact O-CG2 3.37Å; H106-V109 PolarHBondContact O-N 2.79Å; H106-V110 WeakPolarHBondContact O-CG2 3.38Å; H106-V110 PolarHBondContact O-N 3.27Å
107K92.8Very high93.8Very high163 Ų16363.5 Ų63.571%0.70932%0.322SS*.Hα-helixtrans-58.3-38.5178.1-66.6-177.5-179.9176.50111.6G104 A105 V110 L111G104-K107 PolarHBondContact O-N 3.26Å; G104-K107 VanDerWaalsContact O-N 3.09Å; A105-K107 PolarHBondContact O-N 3.46Å; K107-V110 WeakPolarHBondContact O-CG2 3.19Å; K107-L111 WeakPolarHBondContact O-CB 3.37Å; K107-L111 PolarHBondContact O-N 3.37Å
108K93.3Very high93.6Very high70 Ų7070.5 Ų70.530%0.30435%0.347SS..Hα-helixtrans-68.1-35179.9-66.3167.6-177.8155.10112.8W51 L103 G104 A105 H106W51-K108 HydrophobicContact CD2-CB 4.39Å; W51-K108 HydrophobicContact CD2-CD 3.88Å; W51-K108 HydrophobicContact CG-CB 4.02Å; W51-K108 HydrophobicContact CG-CD 4.27Å; W51-K108 HydrophobicContact CH2-CD 4.3Å; W51-K108 HydrophobicContact CZ2-CD 3.63Å; W51-K108 VanDerWaalsContact CZ2-NZ 3.32Å; L103-K108 PolarHBondContact O-NZ 2.9Å; G104-K108 WeakPolarHBondContact O-CG 3.44Å; G104-K108 PolarHBondContact O-N 3.42Å; G104-K108 VanDerWaalsContact O-N 3.08Å; A105-K108 WeakPolarHBondContact O-CB 3.45Å; A105-K108 PolarHBondContact O-N 3.09Å; A105-K108 VanDerWaalsContact O-N 3.16Å; H106-K108 PolarHBondContact O-N 3.15Å
109V94.2Very high93.5Very high14 Ų1467.4 Ų67.49%0.08533%0.333CS..Hα-helixtrans-78.7-28.7179.7-62.40000114.1W51 R52 L55 A105 H106W51-V109 HydrophobicContact CB-CG1 3.39Å; R52-V109 HydrophobicContact CB-CG1 4.47Å; R52-V109 HydrophobicContact CG-CB 3.95Å; R52-V109 HydrophobicContact CG-CG1 3.73Å; R52-V109 PolarHBondContact NH2-O 3.22Å; L55-V109 HydrophobicContact CD1-CG1 3.93Å; L55-V109 HydrophobicContact CD1-CG2 4.14Å; A105-V109 PolarHBondContact O-N 2.75Å; A105-V109 VanDerWaalsContact O-N 3.11Å; H106-V109 WeakPolarHBondContact O-CG2 3.37Å; H106-V109 PolarHBondContact O-N 2.79Å
110V93.7Very high93.4Very high37 Ų3769 Ų6922%0.22433%0.33CS..Hα-helixtrans-90.4-15.7-178.2-58.10000113.8H106 K107 S113 I114H106-V110 WeakPolarHBondContact O-CG2 3.38Å; H106-V110 PolarHBondContact O-N 3.27Å; K107-V110 WeakPolarHBondContact O-CG2 3.19Å; V110-S113 PolarHBondContact O-N 2.77Å; V110-S113 PolarHBondContact O-OG 2.77Å; V110-I114 HydrophobicContact CB-CD1 4.11Å; V110-I114 HydrophobicContact CB-CG1 4.47Å; V110-I114 HydrophobicContact CG2-CD1 3.57Å; V110-I114 HydrophobicContact CG2-CG1 4.44Å; V110-I114 WeakPolarHBondContact O-CG1 3.48Å; V110-I114 PolarHBondContact O-N 2.79Å
111L93.4Very high93.3Very high74 Ų7472.2 Ų72.239%0.38735%0.346SS..Hα-helixtrans-55.8-45.8-174.1-17362.7000114.3L44 K107 S113 I114 I115L44-L111 HydrophobicContact CD1-CD2 4.11Å; L44-L111 HydrophobicContact CD1-CG 4.09Å; L44-L111 HydrophobicContact CD2-CD2 3.91Å; K107-L111 WeakPolarHBondContact O-CB 3.37Å; K107-L111 PolarHBondContact O-N 3.37Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 3.44Å; L111-I114 PolarHBondContact O-N 2.83Å; L111-I115 HydrophobicContact CD1-CD1 4.16Å; L111-I115 HydrophobicContact CD1-CG1 4.43Å; L111-I115 HydrophobicContact CG-CD1 4.08Å; L111-I115 WeakPolarHBondContact O-CG1 3.49Å; L111-I115 PolarHBondContact O-N 3.36Å; L111-I115 VanDerWaalsContact O-N 3.11Å
112P90.8Very high93.2Very high16 Ų1671 Ų7110%0.10435%0.347CS..Hα-helixtrans-61-42.1178.7-1727000112.6L44 A48 I115 A116L44-P112 HydrophobicContact CB-CB 4.44Å; L44-P112 HydrophobicContact CB-CG 3.96Å; A48-P112 HydrophobicContact CB-CG 3.55Å; P112-I115 PolarHBondContact O-N 2.83Å; P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.41Å
113S91.2Very high93.1Very high58 Ų5863.6 Ų63.641%0.40632%0.315SS..Hα-helixtrans-67.9-36.7179.239.30000112.5V110 L111 H117V110-S113 PolarHBondContact O-N 2.77Å; V110-S113 PolarHBondContact O-OG 2.77Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 3.44Å; S113-H117 WeakPolarHBondContact O-CB 3.45Å; S113-H117 PolarHBondContact O-N 3.33Å
114I94.1Very high93Very high82 Ų8260.2 Ų60.242%0.42130%0.304SS..Hα-helixtrans-64.5-46.3177.3-68.5170.8000110V110 L111 H117 R118V110-I114 HydrophobicContact CB-CD1 4.11Å; V110-I114 HydrophobicContact CB-CG1 4.47Å; V110-I114 HydrophobicContact CG2-CD1 3.57Å; V110-I114 HydrophobicContact CG2-CG1 4.44Å; V110-I114 WeakPolarHBondContact O-CG1 3.48Å; V110-I114 PolarHBondContact O-N 2.79Å; L111-I114 PolarHBondContact O-N 2.83Å; I114-H117 PolarHBondContact O-N 3.2Å; I114-R118 HydrophobicContact CG2-CG 4.3Å; I114-R118 VanDerWaalsContact O-CG 3.26Å; I114-R118 WeakPolarHBondContact O-CG 3.3Å; I114-R118 PolarHBondContact O-N 2.98Å
115I93.7Very high92.9Very high45 Ų4566.3 Ų66.323%0.23133%0.329CS..Hα-helixtrans-61.4-51.4179.2-67.3168.4000110.2L37 I40 L44 L111 P112 H117 R118 S119L37-I115 HydrophobicContact CD1-CG2 4.05Å; I40-I115 HydrophobicContact CG2-CD1 3.9Å; I40-I115 HydrophobicContact CG2-CG2 4.35Å; L44-I115 HydrophobicContact CD1-CD1 3.43Å; L44-I115 VanDerWaalsContact CD1-CD1 3.43Å; L111-I115 HydrophobicContact CD1-CD1 4.16Å; L111-I115 HydrophobicContact CD1-CG1 4.43Å; L111-I115 HydrophobicContact CG-CD1 4.08Å; L111-I115 WeakPolarHBondContact O-CG1 3.49Å; L111-I115 PolarHBondContact O-N 3.36Å; L111-I115 VanDerWaalsContact O-N 3.11Å; P112-I115 PolarHBondContact O-N 2.83Å; I115-H117 VanDerWaalsContact C-N 3.27Å; I115-H117 PolarHBondContact O-N 2.85Å; I115-R118 PolarHBondContact O-N 2.92Å; I115-S119 PolarHBondContact O-N 2.92Å; I115-S119 PolarHBondContact O-OG 3.33Å; I115-S119 VanDerWaalsContact O-OG 3.12Å
116A92.3Very high92.8Very high2 Ų273.8 Ų73.82%0.01736%0.358CS..Hα-helixtrans-57.9-40.717800000112.1I41 P112 S119 R120I41-A116 HydrophobicContact CD1-CB 4.14Å; P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.41Å; A116-S119 PolarHBondContact O-N 3.31Å; A116-R120 WeakPolarHBondContact O-CG 3.49Å; A116-R120 PolarHBondContact O-N 3.08Å
117H94.2Very high92.6Very high105 Ų10572.6 Ų72.649%0.48636%0.355SS..Hα-helixtrans-66.6-44.2178-177.670.9000112.7S113 I114 I115 S119 R120 I121S113-H117 WeakPolarHBondContact O-CB 3.45Å; S113-H117 PolarHBondContact O-N 3.33Å; I114-H117 PolarHBondContact O-N 3.2Å; I115-H117 VanDerWaalsContact C-N 3.27Å; I115-H117 PolarHBondContact O-N 2.85Å; H117-S119 VanDerWaalsContact C-N 3.31Å; H117-S119 PolarHBondContact O-N 3.48Å; H117-R120 WeakPolarHBondContact O-CB 3.07Å; H117-R120 PolarHBondContact O-N 2.96Å; H117-R120 VanDerWaalsContact O-N 3.15Å; H117-I121 WeakPolarHBondContact O-CG1 3.28Å; H117-I121 PolarHBondContact O-N 3.36Å; H117-I121 VanDerWaalsContact O-N 3.09Å
118R94.1Very high92.6Very high167 Ų16765.6 Ų65.663%0.6333%0.325SS*.Hα-helixtrans-61-42176-69.2-70.1-177.5-177-0.1111.3I114 I115 R120 I121 V122I114-R118 HydrophobicContact CG2-CG 4.3Å; I114-R118 VanDerWaalsContact O-CG 3.26Å; I114-R118 WeakPolarHBondContact O-CG 3.3Å; I114-R118 PolarHBondContact O-N 2.98Å; I115-R118 PolarHBondContact O-N 2.92Å; R118-R120 VanDerWaalsContact C-N 3.33Å; R118-R120 PolarHBondContact O-N 3.5Å; R118-I121 PolarHBondContact O-N 3.36Å; R118-V122 PolarHBondContact O-N 3.04Å
119S94.1Very high92.5Very high18 Ų1862.8 Ų62.813%0.12632%0.315CS..Hα-helixtrans-60.1-42.3173.8-59.40000111.9L37 I115 A116 H117 I121 V122 L123L37-S119 WeakPolarHBondContact CD1-OG 3.41Å; I115-S119 PolarHBondContact O-N 2.92Å; I115-S119 PolarHBondContact O-OG 3.33Å; I115-S119 VanDerWaalsContact O-OG 3.12Å; A116-S119 PolarHBondContact O-N 3.31Å; H117-S119 VanDerWaalsContact C-N 3.31Å; H117-S119 PolarHBondContact O-N 3.48Å; S119-I121 VanDerWaalsContact C-N 3.34Å; S119-I121 PolarHBondContact O-N 2.78Å; S119-V122 PolarHBondContact O-N 2.85Å; S119-L123 VanDerWaalsContact O-CB 3.3Å; S119-L123 WeakPolarHBondContact O-CB 3.19Å; S119-L123 WeakPolarHBondContact O-CG 3.42Å; S119-L123 PolarHBondContact O-N 3.36Å
120R94Very high92.4Very high79 Ų7962.3 Ų62.330%0.29831%0.312SS..Hα-helixtrans-61.5-38.7176-72.2177.1-163.3150.416.1113.5A116 H117 R118 L123 A124 C130 D131 N132A116-R120 WeakPolarHBondContact O-CG 3.49Å; A116-R120 PolarHBondContact O-N 3.08Å; H117-R120 WeakPolarHBondContact O-CB 3.07Å; H117-R120 PolarHBondContact O-N 2.96Å; H117-R120 VanDerWaalsContact O-N 3.15Å; R118-R120 VanDerWaalsContact C-N 3.33Å; R118-R120 PolarHBondContact O-N 3.5Å; R120-L123 PolarHBondContact O-N 3.2Å; R120-A124 WeakPolarHBondContact O-CB 3.37Å; R120-A124 PolarHBondContact O-N 3.25Å; R120-C130 PolarHBondContact NE-O 2.93Å; R120-D131 VanDerWaalsContact NH2-C 3.31Å; R120-D131 PolarHBondContact NH2-O 3.4Å; R120-D131 VanDerWaalsContact NH2-O 3.12Å; R120-N132 PolarHBondContact NH2-OD1 2.83Å
121I94.6Very high92.3Very high78 Ų7862.9 Ų62.940%0.431%0.314SS..Hα-helixtrans-61-49.9178.7-67.3167.6000109.7H117 R118 S119 A124H117-I121 WeakPolarHBondContact O-CG1 3.28Å; H117-I121 PolarHBondContact O-N 3.36Å; H117-I121 VanDerWaalsContact O-N 3.09Å; R118-I121 PolarHBondContact O-N 3.36Å; S119-I121 VanDerWaalsContact C-N 3.34Å; S119-I121 PolarHBondContact O-N 2.78Å; I121-A124 WeakPolarHBondContact O-CB 3.41Å; I121-A124 PolarHBondContact O-N 3.3Å
122V92.7Very high92Very high82 Ų8265.2 Ų65.250%0.49733%0.327SS..Hα-helixtrans-65.4-43.4179.51790000111.2R118 S119 A124 E125 Y126R118-V122 PolarHBondContact O-N 3.04Å; S119-V122 PolarHBondContact O-N 2.85Å; V122-A124 VanDerWaalsContact C-N 3.26Å; V122-A124 PolarHBondContact O-N 3.12Å; V122-E125 PolarHBondContact O-N 2.95Å; V122-Y126 WeakPolarHBondContact O-CD2 3.48Å
123L92.4Very high91.9Very high14 Ų1466.6 Ų66.67%0.07334%0.337CS..Hα-helixtrans-65.7-28179.9-73173.8000113.2F33 S119 R120 E125 Y126 M128 C130 L136F33-L123 HydrophobicContact CE1-CD1 4.22Å; F33-L123 HydrophobicContact CE1-CD2 4.13Å; F33-L123 HydrophobicContact CE1-CG 4.49Å; S119-L123 VanDerWaalsContact O-CB 3.3Å; S119-L123 WeakPolarHBondContact O-CB 3.19Å; S119-L123 WeakPolarHBondContact O-CG 3.42Å; S119-L123 PolarHBondContact O-N 3.36Å; R120-L123 PolarHBondContact O-N 3.2Å; L123-E125 PolarHBondContact O-N 3.1Å; L123-Y126 PolarHBondContact O-N 2.64Å; L123-M128 CarbonylContact C-O 3.15Å; L123-M128 HydrophobicContact CB-CB 3.94Å; L123-M128 HydrophobicContact CD2-CB 4.03Å; L123-M128 HydrophobicContact CD2-SD 4.17Å; L123-M128 HydrophobicContact CG-CB 4.48Å; L123-M128 CarbonylContact O-C 3.56Å; L123-M128 WeakPolarHBondContact O-CA 3.19Å; L123-M128 WeakPolarHBondContact O-CB 3.33Å; L123-M128 PolarHBondContact O-N 2.64Å; L123-C130 HydrophobicContact CD1-CB 3.79Å; L123-L136 HydrophobicContact CD1-CG 4.37Å
124A90.8Very high91.7Very high47 Ų4763.9 Ų63.939%0.38832%0.318SS..Hα-helixtrans-62.6-31.6-179.900000112.5R120 I121 V122 Y126 N127 M128R120-A124 WeakPolarHBondContact O-CB 3.37Å; R120-A124 PolarHBondContact O-N 3.25Å; I121-A124 WeakPolarHBondContact O-CB 3.41Å; I121-A124 PolarHBondContact O-N 3.3Å; V122-A124 VanDerWaalsContact C-N 3.26Å; V122-A124 PolarHBondContact O-N 3.12Å; A124-Y126 PolarHBondContact O-N 2.68Å; A124-N127 PolarHBondContact O-N 2.82Å; A124-M128 WeakPolarHBondContact CA-O 3.49Å; A124-M128 PolarHBondContact N-O 3.22Å
125E90.1Very high91.6Very high143 Ų14365.2 Ų65.267%0.66832%0.321SS*.THydrogen-bonded Turntrans-62.1-25.9175.5-61.6177.2-174.900112.3V122 L123V122-E125 PolarHBondContact O-N 2.95Å; L123-E125 PolarHBondContact O-N 3.1Å
126Y89.2Confident91.5Very high157 Ų15764.2 Ų64.262%0.61632%0.316SS*.THydrogen-bonded Turntrans-101.915.2-178.7-59.8-84000113.2V122 L123 A124 M128V122-Y126 WeakPolarHBondContact O-CD2 3.48Å; L123-Y126 PolarHBondContact O-N 2.64Å; A124-Y126 PolarHBondContact O-N 2.68Å; Y126-M128 WeakPolarHBondContact O-CG 3.48Å; Y126-M128 PolarHBondContact O-N 2.67Å
127N89.6Confident91.3Very high73 Ų7368 Ų6839%0.3934%0.335SS..THydrogen-bonded Turntrans54.935.7-170.4-59.5-69.5000112.5A124 R139A124-N127 PolarHBondContact O-N 2.82Å; N127-R139 WeakPolarHBondContact O-CA 3.43Å; N127-R139 VanDerWaalsContact O-CB 3.25Å; N127-R139 WeakPolarHBondContact O-CB 3.1Å; N127-R139 PolarHBondContact O-N 2.83Å
128M91.2Very high91.1Very high17 Ų1769.4 Ų69.48%0.08435%0.345CS..EExtended strand (participates in β ladder)trans-118.1161.7175.2-53.1-175.2101.600109.8L30 L123 A124 Y126 L136 I137 L138L30-M128 HydrophobicContact CD2-CE 3.22Å; L30-M128 HydrophobicContact CD2-SD 4.17Å; L30-M128 HydrophobicContact CG-CE 3.92Å; L30-M128 HydrophobicContact CG-SD 4.5Å; L123-M128 CarbonylContact C-O 3.15Å; L123-M128 HydrophobicContact CB-CB 3.94Å; L123-M128 HydrophobicContact CD2-CB 4.03Å; L123-M128 HydrophobicContact CD2-SD 4.17Å; L123-M128 HydrophobicContact CG-CB 4.48Å; L123-M128 CarbonylContact O-C 3.56Å; L123-M128 WeakPolarHBondContact O-CA 3.19Å; L123-M128 WeakPolarHBondContact O-CB 3.33Å; L123-M128 PolarHBondContact O-N 2.64Å; A124-M128 WeakPolarHBondContact CA-O 3.49Å; A124-M128 PolarHBondContact N-O 3.22Å; Y126-M128 WeakPolarHBondContact O-CG 3.48Å; Y126-M128 PolarHBondContact O-N 2.67Å; M128-L136 HydrophobicContact CE-CD2 4.2Å; M128-I137 CarbonylContact C-O 3.53Å; M128-I137 WeakPolarHBondContact CA-O 3.34Å; M128-L138 HydrophobicContact CE-CD2 3.37Å; M128-L138 HydrophobicContact CE-CG 4.2Å; M128-L138 HydrophobicContact CG-CD2 4.25Å
129A92.2Very high90.6Very high10 Ų1068.2 Ų68.28%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-140.217016900000109.1L136 I137A129-L136 CarbonylContact O-C 3.46Å; A129-L136 WeakPolarHBondContact O-CA 3.35Å; A129-I137 HydrophobicContact CB-CB 4.42Å; A129-I137 PolarHBondContact N-O 2.84Å; A129-I137 PolarHBondContact O-N 2.86Å
130C92.2Very high90Very high4 Ų473.1 Ų73.13%0.02737%0.372CS..EExtended strand (participates in β ladder)trans-131.2149.416571.70000111.1L37 R120 L123 K135 L136L37-C130 HydrophobicContact CD2-CB 4.16Å; R120-C130 PolarHBondContact NE-O 2.93Å; L123-C130 HydrophobicContact CD1-CB 3.79Å; C130-K135 CarbonylContact C-O 3.5Å; C130-K135 WeakPolarHBondContact CA-O 3.44Å; C130-K135 WeakPolarHBondContact CB-O 3.46Å; C130-L136 HydrophobicContact CB-CD1 4.46Å
131D90.9Very high89Confident50 Ų5077.2 Ų77.227%0.26739%0.392SS..  trans-75.5-167.9174.673.30.9000111.7R120 S133 G134 K135 I137R120-D131 VanDerWaalsContact NH2-C 3.31Å; R120-D131 PolarHBondContact NH2-O 3.4Å; R120-D131 VanDerWaalsContact NH2-O 3.12Å; D131-S133 VanDerWaalsContact C-N 3.31Å; D131-S133 VanDerWaalsContact OD1-CA 3.31Å; D131-S133 WeakPolarHBondContact OD1-CA 3.33Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 3.1Å; D131-S133 PolarHBondContact OD1-OG 3.25Å; D131-S133 PolarHBondContact OD2-OG 2.81Å; D131-G134 PolarHBondContact OD1-N 2.88Å; D131-K135 VanDerWaalsContact CG-CB 3.49Å; D131-K135 PolarHBondContact N-O 2.92Å; D131-K135 WeakPolarHBondContact OD1-CB 3.45Å; D131-K135 PolarHBondContact OD1-N 2.95Å; D131-K135 WeakPolarHBondContact OD2-CB 3.31Å; D131-I137 HydrophobicContact CB-CD1 4.28Å
132N88.3Confident87.8Confident122 Ų12277.6 Ų77.665%0.65240%0.4SS*.SBendtrans-79.3-12175-70.9-38.9000113.4I41 R120I41-N132 WeakPolarHBondContact CG2-O 3.25Å; R120-N132 PolarHBondContact NH2-OD1 2.83Å
133S87.7Confident86.7Confident46 Ų4681.3 Ų81.332%0.32242%0.417SS..SBendtrans-91.3-12.2176.779.20000112.8R38 D131R38-S133 VanDerWaalsContact CG-O 3.29Å; R38-S133 WeakPolarHBondContact CG-O 3.25Å; D131-S133 VanDerWaalsContact C-N 3.31Å; D131-S133 VanDerWaalsContact OD1-CA 3.31Å; D131-S133 WeakPolarHBondContact OD1-CA 3.33Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 3.1Å; D131-S133 PolarHBondContact OD1-OG 3.25Å; D131-S133 PolarHBondContact OD2-OG 2.81Å
134G87.4Confident84.8Confident0 Ų092.3 Ų92.30%047%0.474CS..  trans93.59.4-173.700000114.1R38 D131R38-G134 PolarHBondContact NH2-O 3.39Å; D131-G134 PolarHBondContact OD1-N 2.88Å
135K90.9Very high84.5Confident111 Ų11194.6 Ų94.648%0.48348%0.479SS..  trans-68.6127.4172.4-172.8167.3-175.3-178.70111.3C130 D131C130-K135 CarbonylContact C-O 3.5Å; C130-K135 WeakPolarHBondContact CA-O 3.44Å; C130-K135 WeakPolarHBondContact CB-O 3.46Å; D131-K135 VanDerWaalsContact CG-CB 3.49Å; D131-K135 PolarHBondContact N-O 2.92Å; D131-K135 WeakPolarHBondContact OD1-CB 3.45Å; D131-K135 PolarHBondContact OD1-N 2.95Å; D131-K135 WeakPolarHBondContact OD2-CB 3.31Å
136L92.4Very high84.2Confident23 Ų2392.1 Ų92.112%0.1247%0.469CS..EExtended strand (participates in β ladder)trans-76.6139.4175.6-88.663.1000109.7L30 F33 E34 L37 L123 M128 A129 C130L30-L136 HydrophobicContact CG-CD2 4.44Å; F33-L136 HydrophobicContact CD1-CD1 3.96Å; F33-L136 HydrophobicContact CD1-CD2 3.98Å; F33-L136 HydrophobicContact CE1-CD1 4Å; F33-L136 HydrophobicContact CE1-CD2 4.42Å; E34-L136 HydrophobicContact CB-CD1 3.7Å; E34-L136 HydrophobicContact CB-CD2 4.41Å; E34-L136 HydrophobicContact CB-CG 4.48Å; E34-L136 HydrophobicContact CG-CD1 3.9Å; E34-L136 PolarHBondContact OE1-N 3.46Å; L37-L136 HydrophobicContact CD2-CD1 4.49Å; L123-L136 HydrophobicContact CD1-CG 4.37Å; M128-L136 HydrophobicContact CE-CD2 4.2Å; A129-L136 CarbonylContact O-C 3.46Å; A129-L136 WeakPolarHBondContact O-CA 3.35Å; C130-L136 HydrophobicContact CB-CD1 4.46Å
137I89.1Confident83.9Confident82 Ų8288.4 Ų88.442%0.42146%0.461SS..EExtended strand (participates in β ladder)trans-127117.6178.6-57.9172.9000106.3M128 A129 D131M128-I137 CarbonylContact C-O 3.53Å; M128-I137 WeakPolarHBondContact CA-O 3.34Å; A129-I137 HydrophobicContact CB-CB 4.42Å; A129-I137 PolarHBondContact N-O 2.84Å; A129-I137 PolarHBondContact O-N 2.86Å; D131-I137 HydrophobicContact CB-CD1 4.28Å
138L88.8Confident83.6Confident134 Ų13489.4 Ų89.470%0.70247%0.465SS*.EExtended strand (participates in β ladder)trans-74.6128.2171.6-71.1159.6000108.6M128M128-L138 HydrophobicContact CE-CD2 3.37Å; M128-L138 HydrophobicContact CE-CG 4.2Å; M128-L138 HydrophobicContact CG-CD2 4.25Å
139R84.6Confident83.1Confident143 Ų14393.9 Ų93.954%0.5449%0.488SS..PPolyproline II helixtrans-89.1145.5170.3-60.6-174.5174178.90.3108.9N127 K141N127-R139 WeakPolarHBondContact O-CA 3.43Å; N127-R139 VanDerWaalsContact O-CB 3.25Å; N127-R139 WeakPolarHBondContact O-CB 3.1Å; N127-R139 PolarHBondContact O-N 2.83Å; R139-K141 PolarHBondContact O-N 3.49Å
140P80.1Confident82.5Confident120 Ų12099.5 Ų99.578%0.77952%0.516SS*.PPolyproline II helixtrans-55.9137171.7-18.429.6000109.5
141K73.4Confident81.8Confident165 Ų165106.3 Ų106.372%0.71755%0.55SS**PPolyproline II helixtrans-61.3134.2168.1-169.8175.9-179.4177.60107.3R139 N143R139-K141 PolarHBondContact O-N 3.49Å; K141-N143 PolarHBondContact O-N 3.19Å
142P70.7Confident81.1Confident87 Ų87110.6 Ų110.657%0.56557%0.572SS**PPolyproline II helixtrans-57.3116.9171.821.4-29.6000107.8L144P142-L144 PolarHBondContact O-N 3Å
143N69.2Low80.5Confident160 Ų160109.7 Ų109.786%0.85657%0.566SS**  trans-64.4115.3171.2-63.2-29.9000105.9K141K141-N143 PolarHBondContact O-N 3.19Å
144L51.4Low79.8Confident245 Ų245115.5 Ų115.5100%1.28359%0.588SS**  trans-67.70162.1-110.496.9000108.9P142P142-L144 PolarHBondContact O-N 3Å

Retrieved 144 of 144 residues in 174.5 ms (Link to these results)