A0A077YZW7_TRITR Loading...

PHD and WAC Acf1 DNA bd domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,078 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
1M50.9Low44.5Very low79 Ų7986.3 Ų86.339%0.38950%0.496SS..  0151.70-80171.1172.800110.1L3 W52 F64 A67 L68 E71M1-L3 PolarHBondContact O-N 3.29Å; M1-W52 HydrophobicContact CB-CE3 3.71Å; M1-W52 HydrophobicContact CB-CZ3 3.88Å; M1-W52 HydrophobicContact CG-CE3 4.44Å; M1-W52 HydrophobicContact SD-CE3 3.8Å; M1-W52 HydrophobicContact SD-CZ3 4.34Å; M1-F64 HydrophobicContact SD-CD2 4Å; M1-F64 HydrophobicContact SD-CE2 4.13Å; M1-A67 VanDerWaalsContact CE-C 3.45Å; M1-A67 HydrophobicContact CE-CB 3.52Å; M1-A67 HydrophobicContact SD-CB 3.64Å; M1-L68 HydrophobicContact CE-CB 4.29Å; M1-L68 HydrophobicContact CE-CD2 3.61Å; M1-L68 HydrophobicContact CE-CG 3.76Å; M1-L68 VanDerWaalsContact CE-N 3.35Å; M1-E71 HydrophobicContact CE-CG 4.26Å; M1-E71 VanDerWaalsContact CE-OE1 3.25Å; M1-E71 WeakPolarHBondContact CE-OE1 3.06Å; M1-E71 VanDerWaalsContact CE-OE2 3.28Å; M1-E71 WeakPolarHBondContact CE-OE2 3.39Å
2P50.2Low44Very low71 Ų7187.8 Ų87.846%0.46150%0.495SS..  trans-71.1119.7171.129.7-32.3000110.6
3L51.5Low43.3Very low20 Ų2091.1 Ų91.111%0.10552%0.522CS..BIsolated β-bridgetrans-85.8139.9157-120.599.7000108.8M1 G5 F8 L46 Q51 W52M1-L3 PolarHBondContact O-N 3.29Å; L3-G5 PolarHBondContact O-N 2.58Å; L3-F8 HydrophobicContact CB-CE1 3.86Å; L3-F8 HydrophobicContact CB-CZ 3.79Å; L3-F8 HydrophobicContact CD1-CZ 3.88Å; L3-F8 HydrophobicContact CD2-CE1 3.77Å; L3-F8 HydrophobicContact CD2-CZ 3.8Å; L3-F8 HydrophobicContact CG-CE1 4.26Å; L3-F8 HydrophobicContact CG-CZ 4.01Å; L3-L46 HydrophobicContact CD1-CD2 4.22Å; L3-L46 HydrophobicContact CD1-CG 4.37Å; L3-L46 HydrophobicContact CD2-CD1 3.63Å; L3-L46 HydrophobicContact CD2-CD2 4.04Å; L3-L46 HydrophobicContact CD2-CG 3.98Å; L3-Q51 HydrophobicContact CD2-CB 4.25Å; L3-W52 HydrophobicContact CD1-CD2 3.53Å; L3-W52 VanDerWaalsContact CD1-CE2 3.45Å; L3-W52 HydrophobicContact CD1-CE3 3.53Å; L3-W52 HydrophobicContact CD1-CG 4.34Å; L3-W52 HydrophobicContact CD1-CH2 3.47Å; L3-W52 VanDerWaalsContact CD1-CH2 3.47Å; L3-W52 HydrophobicContact CD1-CZ2 3.45Å; L3-W52 VanDerWaalsContact CD1-CZ2 3.45Å; L3-W52 HydrophobicContact CD1-CZ3 3.5Å
4H43.5Very low42.9Very low145 Ų14591.1 Ų91.167%0.67152%0.52SS*.THydrogen-bonded Turntrans-66.9109-178.6-111.6-80.5000111.6K6H4-K6 PolarHBondContact O-N 3.14Å
5G38.9Very low42.6Very low82 Ų8290.1 Ų90.185%0.84554%0.537SS*.THydrogen-bonded Turntrans74.616.4161.800000117.4L3L3-G5 PolarHBondContact O-N 2.58Å
6K42.5Very low42.3Very low134 Ų13485.9 Ų85.958%0.58351%0.514SS*.  trans-134.8131.8174.3-60.1-178.3176.8179.50112.1H4 F8H4-K6 PolarHBondContact O-N 3.14Å; K6-F8 HydrophobicContact CB-CD1 3.6Å; K6-F8 HydrophobicContact CB-CE1 3.78Å; K6-F8 WeakPolarHBondContact O-CD1 3.05Å; K6-F8 WeakPolarHBondContact O-CE1 3.43Å
7T38.4Very low42.4Very low143 Ų14388 Ų8888%0.87752%0.522SS*.  trans-108.295.9170.648.50000108.8
8F47.1Very low42Very low78 Ų7886.8 Ų86.834%0.34251%0.512SS..  trans-105.44.6-176.536.5-84.2000113.2L3 K6 L46L3-F8 HydrophobicContact CB-CE1 3.86Å; L3-F8 HydrophobicContact CB-CZ 3.79Å; L3-F8 HydrophobicContact CD1-CZ 3.88Å; L3-F8 HydrophobicContact CD2-CE1 3.77Å; L3-F8 HydrophobicContact CD2-CZ 3.8Å; L3-F8 HydrophobicContact CG-CE1 4.26Å; L3-F8 HydrophobicContact CG-CZ 4.01Å; K6-F8 HydrophobicContact CB-CD1 3.6Å; K6-F8 HydrophobicContact CB-CE1 3.78Å; K6-F8 WeakPolarHBondContact O-CD1 3.05Å; K6-F8 WeakPolarHBondContact O-CE1 3.43Å; F8-L46 HydrophobicContact CD2-CD2 4.2Å; F8-L46 HydrophobicContact CE1-CD2 4.43Å; F8-L46 HydrophobicContact CE2-CD2 3.58Å; F8-L46 HydrophobicContact CZ-CD2 3.76Å
9Y47.6Very low41.7Very low62 Ų6283.4 Ų83.424%0.24349%0.491CS..  trans-132.2148.5173-48.1-54.7000110.9F25 F39 I43Y9-F25 VanDerWaalsContact CB-CD1 3.44Å; Y9-F25 HydrophobicContact CD1-CB 3.86Å; Y9-F25 HydrophobicContact CD2-CB 3.85Å; Y9-F25 AromaticContact CD2-CD1 3.79Å; Y9-F25 HydrophobicContact CD2-CD1 3.79Å; Y9-F25 HydrophobicContact CD2-CD2 4.24Å; Y9-F25 HydrophobicContact CD2-CE1 4.39Å; Y9-F25 AromaticContact CD2-CG 3.69Å; Y9-F25 HydrophobicContact CD2-CG 3.69Å; Y9-F25 HydrophobicContact CE1-CB 4.3Å; Y9-F25 HydrophobicContact CE2-CB 4.25Å; Y9-F25 HydrophobicContact CE2-CG 4.27Å; Y9-F25 HydrophobicContact CG-CB 3.64Å; Y9-F25 AromaticContact CG-CD1 3.81Å; Y9-F25 HydrophobicContact CG-CD1 3.81Å; Y9-F25 AromaticContact CG-CG 3.85Å; Y9-F25 HydrophobicContact CG-CG 3.85Å; Y9-F39 HydrophobicContact CE1-CE2 4.11Å; Y9-F39 AromaticContact CE1-CZ 3.93Å; Y9-F39 HydrophobicContact CE1-CZ 3.93Å; Y9-I43 HydrophobicContact CE1-CD1 4.49Å; Y9-I43 WeakPolarHBondContact OH-CD1 3.43Å
10V39.9Very low41.5Very low81 Ų8181.9 Ų81.949%0.49148%0.484SS..  trans-120.3133.5167.6171.70000107Q12 L28V10-Q12 PolarHBondContact O-N 3.32Å; V10-L28 HydrophobicContact CB-CD1 4.12Å; V10-L28 HydrophobicContact CG2-CD1 3.72Å
11A39.2Very low41.4Very low54 Ų5480.7 Ų80.745%0.44648%0.479SS..  trans-67.2117.9170.100000108.2
12Q38.2Very low41Very low105 Ų10581.1 Ų81.149%0.49148%0.479SS..  trans-66.9130.1170.3-79.9-170-47.800109V10 N14V10-Q12 PolarHBondContact O-N 3.32Å; Q12-N14 PolarHBondContact O-N 3.47Å
13P35.3Very low40.5Very low130 Ų13078.7 Ų78.784%0.84447%0.465SS*.  trans-7674.4169.233.1-33.5000108.8
14N37.7Very low40.1Very low92 Ų9282.1 Ų82.149%0.49249%0.488SS..  trans-69.9138.2165.3-65.6-10.7000107.2Q12 S16Q12-N14 PolarHBondContact O-N 3.47Å; N14-S16 PolarHBondContact O-N 3.27Å
15G38.4Very low40.2Very low75 Ų7581 Ų8177%0.77348%0.482SS*.SBendtrans-7128.1-172.500000115.6Q688G15-Q688 VanDerWaalsContact C-NE2 3.3Å; G15-Q688 PolarHBondContact O-NE2 3.05Å
16S37.8Very low40.5Very low24 Ų2480.1 Ų80.117%0.16846%0.46CS..SBendtrans-114.7144.7-17050.60000112.1N14 L18 E692N14-S16 PolarHBondContact O-N 3.27Å; S16-L18 PolarHBondContact O-N 3.48Å; S16-E692 WeakPolarHBondContact CA-OE1 3.4Å; S16-E692 WeakPolarHBondContact CB-OE1 3.48Å
17D43.5Very low41Very low121 Ų12175.2 Ų75.265%0.64744%0.442SS*.SBendtrans-69.617-177.7-66.4-51.1000114.1L19D17-L19 PolarHBondContact O-N 3.24Å; D17-L19 VanDerWaalsContact O-N 3.14Å
18L35.6Very low41.4Very low66 Ų6674.6 Ų74.635%0.34643%0.432SS..  trans-70.7104.4165.9-70.4174.6000110.5S16S16-L18 PolarHBondContact O-N 3.48Å
19L35.5Very low41.5Very low22 Ų2278.4 Ų78.412%0.11545%0.451CS..  trans-39.2149.4169.8-80.9147.7000115.2D17 C21 K22 A23 S242 E252D17-L19 PolarHBondContact O-N 3.24Å; D17-L19 VanDerWaalsContact O-N 3.14Å; L19-C21 HydrophobicContact CB-CB 4.4Å; L19-C21 PolarHBondContact O-N 3.37Å; L19-K22 PolarHBondContact O-N 3.12Å; L19-A23 PolarHBondContact O-N 3.44Å; L19-S242 WeakPolarHBondContact CD1-OG 3.44Å; L19-E252 HydrophobicContact CD1-CB 3.81Å; L19-E252 HydrophobicContact CD1-CG 3.84Å; L19-E252 WeakPolarHBondContact CD1-OE2 3.21Å; L19-E252 HydrophobicContact CD2-CB 3.49Å; L19-E252 VanDerWaalsContact CD2-CB 3.49Å; L19-E252 HydrophobicContact CD2-CG 3.92Å; L19-E252 WeakPolarHBondContact CD2-OE1 3.06Å; L19-E252 WeakPolarHBondContact CD2-OE2 3.37Å; L19-E252 HydrophobicContact CG-CB 3.91Å; L19-E252 HydrophobicContact CG-CG 4.35Å
20P37.3Very low41.9Very low54 Ų5478.6 Ų78.635%0.35146%0.456SS..THydrogen-bonded Turntrans-56.3-14.6176.3-25.636.2000114.8
21C39.7Very low42.5Very low57 Ų5783.4 Ų83.439%0.38547%0.47SS..THydrogen-bonded Turntrans-76.3-30.4176.2-53.20000113.8L19L19-C21 HydrophobicContact CB-CB 4.4Å; L19-C21 PolarHBondContact O-N 3.37Å
22K42.8Very low43.7Very low87 Ų8782.8 Ų82.838%0.37846%0.463SS..THydrogen-bonded Turntrans-113.6-5.4-168.9-65.9-172.6177.8-176.80114.2L19 S242 E246L19-K22 PolarHBondContact O-N 3.12Å; K22-S242 WeakPolarHBondContact CE-OG 3.3Å; K22-E246 IonicContact NZ-OE1 3.6Å; K22-E246 PolarHBondContact NZ-OE1 3.19Å; K22-E246 IonicContact NZ-OE2 2.85Å; K22-E246 PolarHBondContact NZ-OE2 3.22Å
23A39.3Very low44.8Very low21 Ų2185 Ų8517%0.17447%0.467CS..SBendtrans-62.6126.7172.800000111.1L19 F25L19-A23 PolarHBondContact O-N 3.44Å; A23-F25 PolarHBondContact O-N 3.05Å
24P43Very low46.5Very low91 Ų9185.2 Ų85.259%0.59146%0.456SS*.  trans-63.913117526.2-33.1000109.8V26P24-V26 PolarHBondContact O-N 3.32Å
25F45.8Very low47.8Very low122 Ų12284.3 Ų84.354%0.53545%0.449SS..  trans-71.796.8175.8-64.5-70.1000110.1Y9 A23Y9-F25 VanDerWaalsContact CB-CD1 3.44Å; Y9-F25 HydrophobicContact CD1-CB 3.86Å; Y9-F25 HydrophobicContact CD2-CB 3.85Å; Y9-F25 AromaticContact CD2-CD1 3.79Å; Y9-F25 HydrophobicContact CD2-CD1 3.79Å; Y9-F25 HydrophobicContact CD2-CD2 4.24Å; Y9-F25 HydrophobicContact CD2-CE1 4.39Å; Y9-F25 AromaticContact CD2-CG 3.69Å; Y9-F25 HydrophobicContact CD2-CG 3.69Å; Y9-F25 HydrophobicContact CE1-CB 4.3Å; Y9-F25 HydrophobicContact CE2-CB 4.25Å; Y9-F25 HydrophobicContact CE2-CG 4.27Å; Y9-F25 HydrophobicContact CG-CB 3.64Å; Y9-F25 AromaticContact CG-CD1 3.81Å; Y9-F25 HydrophobicContact CG-CD1 3.81Å; Y9-F25 AromaticContact CG-CG 3.85Å; Y9-F25 HydrophobicContact CG-CG 3.85Å; A23-F25 PolarHBondContact O-N 3.05Å
26V46.6Very low48.7Very low64 Ų6482.9 Ų82.939%0.38842%0.423SS..  trans-90.6136.9176-170.50000109.7P24P24-V26 PolarHBondContact O-N 3.32Å
27P52.1Low50.1Low30 Ų3086.4 Ų86.420%0.19544%0.44CS..  trans-62.6139.7173-29.541.9000112.5Q29 L30 F39P27-Q29 PolarHBondContact O-N 2.62Å; P27-Q29 VanDerWaalsContact O-N 3.1Å; P27-L30 HydrophobicContact CB-CD1 3.91Å; P27-L30 HydrophobicContact CB-CD2 4.01Å; P27-L30 HydrophobicContact CB-CG 3.81Å; P27-L30 HydrophobicContact CG-CD1 3.95Å; P27-L30 HydrophobicContact CG-CG 4.4Å; P27-F39 HydrophobicContact CB-CD2 4.36Å; P27-F39 HydrophobicContact CB-CE2 4.26Å; P27-F39 HydrophobicContact CB-CZ 4.44Å; P27-F39 HydrophobicContact CG-CD1 3.62Å; P27-F39 HydrophobicContact CG-CD2 3.69Å; P27-F39 HydrophobicContact CG-CE1 3.33Å; P27-F39 HydrophobicContact CG-CE2 3.42Å; P27-F39 VanDerWaalsContact CG-CE2 3.42Å; P27-F39 HydrophobicContact CG-CG 3.78Å; P27-F39 HydrophobicContact CG-CZ 3.21Å
28L45.8Very low51.4Low130 Ų13083.2 Ų83.268%0.68143%0.427SS*.SBendtrans-68.8106.7168.9-77.8160.5000109.2V10V10-L28 HydrophobicContact CB-CD1 4.12Å; V10-L28 HydrophobicContact CG2-CD1 3.72Å
29Q51.3Low52.9Low159 Ų15981.6 Ų81.674%0.74342%0.417SS*.  trans61.782.3170.8-52.6-177.50.800115P27P27-Q29 PolarHBondContact O-N 2.62Å; P27-Q29 VanDerWaalsContact O-N 3.1Å
30L55.4Low54.4Low65 Ų6586 Ų8634%0.3443%0.433SS..  trans-99.8124.7155.7-49176.1000107.9P27 E35 L36 F39P27-L30 HydrophobicContact CB-CD1 3.91Å; P27-L30 HydrophobicContact CB-CD2 4.01Å; P27-L30 HydrophobicContact CB-CG 3.81Å; P27-L30 HydrophobicContact CG-CD1 3.95Å; P27-L30 HydrophobicContact CG-CG 4.4Å; L30-E35 WeakPolarHBondContact CA-OE2 3.47Å; L30-E35 HydrophobicContact CB-CB 4.14Å; L30-E35 HydrophobicContact CD2-CB 4.05Å; L30-L36 HydrophobicContact CD1-CB 4.26Å; L30-L36 HydrophobicContact CD1-CD1 3.86Å; L30-F39 HydrophobicContact CD1-CB 4.17Å; L30-F39 HydrophobicContact CD1-CG 4.39Å
31K52.3Low56.1Low182 Ų18288.7 Ų88.779%0.79145%0.445SS*.  trans-98.1-14.2-178.3-63.9-179.3-179.6-179.80112.8E35K31-E35 PolarHBondContact N-OE2 2.88Å
32S65Low57.8Low41 Ų4192.2 Ų92.229%0.28746%0.455SS..SBendtrans-136.9163.2-172.766.10000113.4E34 E35 L36S32-E34 VanDerWaalsContact C-N 3.33Å; S32-E35 WeakPolarHBondContact OG-CB 3.46Å; S32-E35 WeakPolarHBondContact OG-CG 3.1Å; S32-E35 PolarHBondContact OG-N 2.92Å; S32-E35 PolarHBondContact OG-OE1 3.08Å; S32-L36 PolarHBondContact O-N 3.06Å
33R61.5Low59.1Low153 Ų15390 Ų9058%0.57745%0.447SS*.Hα-helixtrans-71.8-30.9176.9-178.6177.9179.8157.17.5111.7L36 L37R33-L36 WeakPolarHBondContact O-CB 3.39Å; R33-L36 PolarHBondContact O-N 3.32Å; R33-L37 WeakPolarHBondContact O-CG 3.16Å; R33-L37 PolarHBondContact O-N 2.69Å; R33-L37 VanDerWaalsContact O-N 3.11Å
34E69.8Low60.7Low133 Ų13390 Ų9062%0.62145%0.449SS*.Hα-helixtrans-64.7-47.3174.9-66.568.5-152.500110.6S32 L36 L37 S38S32-E34 VanDerWaalsContact C-N 3.33Å; E34-L36 VanDerWaalsContact C-N 3.27Å; E34-L36 PolarHBondContact O-N 3.3Å; E34-L37 PolarHBondContact O-N 3.44Å; E34-L37 VanDerWaalsContact O-N 3.1Å; E34-S38 PolarHBondContact O-N 2.84Å; E34-S38 PolarHBondContact O-OG 2.83Å
35E64.6Low62.4Low73 Ų7390.9 Ų90.934%0.34145%0.449SS..Hα-helixtrans-60.1-35.5175.2-77.2161.4-137.400112.4L30 K31 S32 S38 F39L30-E35 WeakPolarHBondContact CA-OE2 3.47Å; L30-E35 HydrophobicContact CB-CB 4.14Å; L30-E35 HydrophobicContact CD2-CB 4.05Å; K31-E35 PolarHBondContact N-OE2 2.88Å; S32-E35 WeakPolarHBondContact OG-CB 3.46Å; S32-E35 WeakPolarHBondContact OG-CG 3.1Å; S32-E35 PolarHBondContact OG-N 2.92Å; S32-E35 PolarHBondContact OG-OE1 3.08Å; E35-S38 WeakPolarHBondContact CA-OG 3.29Å; E35-S38 PolarHBondContact O-OG 3.28Å; E35-S38 VanDerWaalsContact O-OG 3.07Å; E35-F39 VanDerWaalsContact O-CB 3.22Å; E35-F39 WeakPolarHBondContact O-CB 3.49Å; E35-F39 PolarHBondContact O-N 2.97Å
36L58.8Low63.9Low45 Ų4586.7 Ų86.724%0.23643%0.432CS..Hα-helixtrans-65.6-41.9173.3-176.275.6000112.5L30 S32 R33 E34 Y40 K780L30-L36 HydrophobicContact CD1-CB 4.26Å; L30-L36 HydrophobicContact CD1-CD1 3.86Å; S32-L36 PolarHBondContact O-N 3.06Å; R33-L36 WeakPolarHBondContact O-CB 3.39Å; R33-L36 PolarHBondContact O-N 3.32Å; E34-L36 VanDerWaalsContact C-N 3.27Å; E34-L36 PolarHBondContact O-N 3.3Å; L36-Y40 HydrophobicContact CD1-CD2 4.43Å; L36-Y40 HydrophobicContact CD1-CE2 3.86Å; L36-Y40 HydrophobicContact CD2-CE2 4.15Å; L36-Y40 HydrophobicContact CG-CD2 4.09Å; L36-Y40 HydrophobicContact CG-CE2 3.77Å; L36-Y40 WeakPolarHBondContact O-CD2 3.3Å; L36-Y40 PolarHBondContact O-N 3.22Å; L36-Y40 VanDerWaalsContact O-N 3.11Å; L36-K780 VanDerWaalsContact CD1-NZ 3.25Å; L36-K780 HydrophobicContact CD2-CD 4.16Å
37L66.9Low65.4Low99 Ų9987.3 Ų87.352%0.51843%0.432SS..Hα-helixtrans-69.8-44.6178.6-72.3168.8000111.2R33 E34 F39 Y40 D41R33-L37 WeakPolarHBondContact O-CG 3.16Å; R33-L37 PolarHBondContact O-N 2.69Å; R33-L37 VanDerWaalsContact O-N 3.11Å; E34-L37 PolarHBondContact O-N 3.44Å; E34-L37 VanDerWaalsContact O-N 3.1Å; L37-F39 VanDerWaalsContact C-N 3.27Å; L37-F39 PolarHBondContact O-N 3.41Å; L37-Y40 PolarHBondContact O-N 3.39Å; L37-Y40 VanDerWaalsContact O-N 3.15Å; L37-D41 PolarHBondContact O-N 3.48Å
38S69.9Low66.7Low53 Ų5392.9 Ų92.937%0.37146%0.455SS..Hα-helixtrans-61.5-36.5175.1650000111.8E34 E35 D41 E42E34-S38 PolarHBondContact O-N 2.84Å; E34-S38 PolarHBondContact O-OG 2.83Å; E35-S38 WeakPolarHBondContact CA-OG 3.29Å; E35-S38 PolarHBondContact O-OG 3.28Å; E35-S38 VanDerWaalsContact O-OG 3.07Å; S38-D41 PolarHBondContact O-N 2.93Å; S38-E42 WeakPolarHBondContact O-CB 3.36Å; S38-E42 WeakPolarHBondContact O-CG 3.29Å; S38-E42 PolarHBondContact O-N 3Å
39F67.7Low68.6Low32 Ų3288 Ų8814%0.1443%0.432CS..Hα-helixtrans-64.4-40.5173.8173.3-100.8000113.2Y9 P27 L30 E35 L37 E42 I43Y9-F39 HydrophobicContact CE1-CE2 4.11Å; Y9-F39 AromaticContact CE1-CZ 3.93Å; Y9-F39 HydrophobicContact CE1-CZ 3.93Å; P27-F39 HydrophobicContact CB-CD2 4.36Å; P27-F39 HydrophobicContact CB-CE2 4.26Å; P27-F39 HydrophobicContact CB-CZ 4.44Å; P27-F39 HydrophobicContact CG-CD1 3.62Å; P27-F39 HydrophobicContact CG-CD2 3.69Å; P27-F39 HydrophobicContact CG-CE1 3.33Å; P27-F39 HydrophobicContact CG-CE2 3.42Å; P27-F39 VanDerWaalsContact CG-CE2 3.42Å; P27-F39 HydrophobicContact CG-CG 3.78Å; P27-F39 HydrophobicContact CG-CZ 3.21Å; L30-F39 HydrophobicContact CD1-CB 4.17Å; L30-F39 HydrophobicContact CD1-CG 4.39Å; E35-F39 VanDerWaalsContact O-CB 3.22Å; E35-F39 WeakPolarHBondContact O-CB 3.49Å; E35-F39 PolarHBondContact O-N 2.97Å; L37-F39 VanDerWaalsContact C-N 3.27Å; L37-F39 PolarHBondContact O-N 3.41Å; F39-E42 PolarHBondContact O-N 2.69Å; F39-I43 HydrophobicContact CD1-CD1 4.4Å; F39-I43 HydrophobicContact CE1-CD1 3.48Å; F39-I43 VanDerWaalsContact CE1-CD1 3.48Å; F39-I43 HydrophobicContact CE1-CG1 4.2Å; F39-I43 HydrophobicContact CE2-CD1 4.01Å; F39-I43 HydrophobicContact CE2-CG1 4.12Å; F39-I43 HydrophobicContact CZ-CD1 3.24Å; F39-I43 HydrophobicContact CZ-CG1 3.84Å; F39-I43 PolarHBondContact O-N 3.26Å
40Y67.7Low70.2Confident116 Ų11687.1 Ų87.146%0.45543%0.426SS..Hα-helixtrans-65.7-38.8173.8-80.4-62.3000112.1L36 L37 I43 G44 K780L36-Y40 HydrophobicContact CD1-CD2 4.43Å; L36-Y40 HydrophobicContact CD1-CE2 3.86Å; L36-Y40 HydrophobicContact CD2-CE2 4.15Å; L36-Y40 HydrophobicContact CG-CD2 4.09Å; L36-Y40 HydrophobicContact CG-CE2 3.77Å; L36-Y40 WeakPolarHBondContact O-CD2 3.3Å; L36-Y40 PolarHBondContact O-N 3.22Å; L36-Y40 VanDerWaalsContact O-N 3.11Å; L37-Y40 PolarHBondContact O-N 3.39Å; L37-Y40 VanDerWaalsContact O-N 3.15Å; Y40-I43 PolarHBondContact O-N 3.36Å; Y40-G44 PolarHBondContact O-N 3.08Å; Y40-K780 PolarHBondContact OH-NZ 3.1Å
41D73.3Confident71.4Confident110 Ų11088.3 Ų88.359%0.58843%0.43SS*.Hα-helixtrans-66.1-40174.1-72.7-21.1000111.3L37 S38 G44 N45L37-D41 PolarHBondContact O-N 3.48Å; S38-D41 PolarHBondContact O-N 2.93Å; D41-G44 PolarHBondContact O-N 3.25Å; D41-N45 WeakPolarHBondContact O-CB 3.4Å; D41-N45 PolarHBondContact O-N 3.34Å; D41-N45 PolarHBondContact O-ND2 3.15Å
42E74.4Confident72.6Confident130 Ų13080.9 Ų80.961%0.60740%0.396SS*.Hα-helixtrans-60.5-44.4172.4-80-178.9-15400112.1S38 F39 N45 L46S38-E42 WeakPolarHBondContact O-CB 3.36Å; S38-E42 WeakPolarHBondContact O-CG 3.29Å; S38-E42 PolarHBondContact O-N 3Å; F39-E42 PolarHBondContact O-N 2.69Å; E42-N45 PolarHBondContact O-N 2.74Å; E42-L46 VanDerWaalsContact O-CB 3.3Å; E42-L46 WeakPolarHBondContact O-CB 3.25Å; E42-L46 PolarHBondContact O-N 2.88Å
43I70.4Confident73.4Confident40 Ų4079.3 Ų79.321%0.20539%0.386CS..Hα-helixtrans-62.1-43.5173-78.9-170.3000111.4Y9 F39 Y40 L46 M47Y9-I43 HydrophobicContact CE1-CD1 4.49Å; Y9-I43 WeakPolarHBondContact OH-CD1 3.43Å; F39-I43 HydrophobicContact CD1-CD1 4.4Å; F39-I43 HydrophobicContact CE1-CD1 3.48Å; F39-I43 VanDerWaalsContact CE1-CD1 3.48Å; F39-I43 HydrophobicContact CE1-CG1 4.2Å; F39-I43 HydrophobicContact CE2-CD1 4.01Å; F39-I43 HydrophobicContact CE2-CG1 4.12Å; F39-I43 HydrophobicContact CZ-CD1 3.24Å; F39-I43 HydrophobicContact CZ-CG1 3.84Å; F39-I43 PolarHBondContact O-N 3.26Å; Y40-I43 PolarHBondContact O-N 3.36Å; I43-L46 WeakPolarHBondContact O-CB 3.39Å; I43-L46 PolarHBondContact O-N 2.89Å; I43-L46 VanDerWaalsContact O-N 3.15Å; I43-M47 HydrophobicContact CG2-CE 4.01Å; I43-M47 HydrophobicContact CG2-CG 4.32Å; I43-M47 HydrophobicContact CG2-SD 4.27Å; I43-M47 WeakPolarHBondContact O-CG 3.34Å; I43-M47 PolarHBondContact O-N 2.81Å
44G73.1Confident74.5Confident22 Ų2272.1 Ų72.123%0.22736%0.359CS..Hα-helixtrans-55.4-54.5176.400000111.3Y40 D41 L46 M47 E48Y40-G44 PolarHBondContact O-N 3.08Å; D41-G44 PolarHBondContact O-N 3.25Å; G44-L46 VanDerWaalsContact C-N 3.27Å; G44-L46 PolarHBondContact O-N 3.26Å; G44-M47 PolarHBondContact O-N 2.85Å; G44-E48 PolarHBondContact O-N 3.29Å; G44-E48 VanDerWaalsContact O-N 3.08Å
45N78.8Confident75Confident110 Ų11068.5 Ų68.559%0.58834%0.34SS*.Hα-helixtrans-57.2-38.2174.8-72.5-55.4000112.3D41 E42 S49D41-N45 WeakPolarHBondContact O-CB 3.4Å; D41-N45 PolarHBondContact O-N 3.34Å; D41-N45 PolarHBondContact O-ND2 3.15Å; E42-N45 PolarHBondContact O-N 2.74Å; N45-S49 WeakPolarHBondContact O-CB 3.42Å; N45-S49 PolarHBondContact O-N 3.41Å
46L77.2Confident75.9Confident33 Ų3365.2 Ų65.217%0.17333%0.325CS..Hα-helixtrans-68.8-41.9178.8-160.871000112.3L3 F8 E42 I43 G44 E48 S49 W52L3-L46 HydrophobicContact CD1-CD2 4.22Å; L3-L46 HydrophobicContact CD1-CG 4.37Å; L3-L46 HydrophobicContact CD2-CD1 3.63Å; L3-L46 HydrophobicContact CD2-CD2 4.04Å; L3-L46 HydrophobicContact CD2-CG 3.98Å; F8-L46 HydrophobicContact CD2-CD2 4.2Å; F8-L46 HydrophobicContact CE1-CD2 4.43Å; F8-L46 HydrophobicContact CE2-CD2 3.58Å; F8-L46 HydrophobicContact CZ-CD2 3.76Å; E42-L46 VanDerWaalsContact O-CB 3.3Å; E42-L46 WeakPolarHBondContact O-CB 3.25Å; E42-L46 PolarHBondContact O-N 2.88Å; I43-L46 WeakPolarHBondContact O-CB 3.39Å; I43-L46 PolarHBondContact O-N 2.89Å; I43-L46 VanDerWaalsContact O-N 3.15Å; G44-L46 VanDerWaalsContact C-N 3.27Å; G44-L46 PolarHBondContact O-N 3.26Å; L46-E48 VanDerWaalsContact C-N 3.33Å; L46-S49 WeakPolarHBondContact O-CB 3.5Å; L46-S49 PolarHBondContact O-N 2.98Å; L46-S49 PolarHBondContact O-OG 3.3Å; L46-W52 PolarHBondContact O-NE1 3.17Å
47M77.1Confident77.1Confident78 Ų7866.8 Ų66.838%0.38433%0.333SS..Hα-helixtrans-65-37.1176.7-71.4-171-58.800112.3I43 G44 W52 F64I43-M47 HydrophobicContact CG2-CE 4.01Å; I43-M47 HydrophobicContact CG2-CG 4.32Å; I43-M47 HydrophobicContact CG2-SD 4.27Å; I43-M47 WeakPolarHBondContact O-CG 3.34Å; I43-M47 PolarHBondContact O-N 2.81Å; G44-M47 PolarHBondContact O-N 2.85Å; M47-W52 HydrophobicContact CG-CZ2 4.4Å; M47-F64 HydrophobicContact CB-CB 4.05Å; M47-F64 HydrophobicContact CG-CB 4.31Å; M47-F64 HydrophobicContact CG-CD1 4.21Å; M47-F64 HydrophobicContact CG-CG 4.31Å; M47-F64 WeakPolarHBondContact O-CB 3.36Å; M47-F64 PolarHBondContact O-N 3.45Å; M47-F64 HydrophobicContact SD-CD1 4.11Å; M47-F64 HydrophobicContact SD-CE1 4.38Å
48E80.5Confident77.7Confident147 Ų14764.6 Ų64.669%0.68733%0.334SS*.Hα-helixtrans-76.6-23.7175.2-67.2-174-177.800112.9G44 L46 T63G44-E48 PolarHBondContact O-N 3.29Å; G44-E48 VanDerWaalsContact O-N 3.08Å; L46-E48 VanDerWaalsContact C-N 3.33Å; E48-T63 WeakPolarHBondContact O-CG2 3.35Å
49S84.4Confident78.2Confident27 Ų2769.3 Ų69.319%0.18934%0.344CS..SBendtrans-62.4147.2176.284.70000112.4N45 L46 Q51 T63N45-S49 WeakPolarHBondContact O-CB 3.42Å; N45-S49 PolarHBondContact O-N 3.41Å; L46-S49 WeakPolarHBondContact O-CB 3.5Å; L46-S49 PolarHBondContact O-N 2.98Å; L46-S49 PolarHBondContact O-OG 3.3Å; S49-Q51 PolarHBondContact O-N 3.49Å; S49-Q51 VanDerWaalsContact O-N 3.1Å; S49-T63 WeakPolarHBondContact O-CA 3.43Å
50K86.1Confident78.9Confident141 Ų14173.8 Ų73.861%0.61336%0.363SS*.SBendtrans-83.737.9175.2-65.7-175.1-179.2178.50113.2E61 L62 T63K50-E61 WeakPolarHBondContact O-CA 3.01Å; K50-L62 CarbonylContact C-O 3.52Å; K50-L62 WeakPolarHBondContact CA-O 3.39Å; K50-T63 HydrophobicContact CG-CG2 4.2Å
51Q79.7Confident79.6Confident90 Ų9074.7 Ų74.742%0.42137%0.372SS..  trans-99.92.7-176.3-62.2-172.3-6.400113.8L3 S49L3-Q51 HydrophobicContact CD2-CB 4.25Å; S49-Q51 PolarHBondContact O-N 3.49Å; S49-Q51 VanDerWaalsContact O-N 3.1Å
52W78.7Confident80.1Confident25 Ų2571 Ų7110%0.09535%0.352CS..BIsolated β-bridgetrans-90.8153.9-177.5-56.480.2000112M1 L3 L46 M47 E61 L62 F64 A67M1-W52 HydrophobicContact CB-CE3 3.71Å; M1-W52 HydrophobicContact CB-CZ3 3.88Å; M1-W52 HydrophobicContact CG-CE3 4.44Å; M1-W52 HydrophobicContact SD-CE3 3.8Å; M1-W52 HydrophobicContact SD-CZ3 4.34Å; L3-W52 HydrophobicContact CD1-CD2 3.53Å; L3-W52 VanDerWaalsContact CD1-CE2 3.45Å; L3-W52 HydrophobicContact CD1-CE3 3.53Å; L3-W52 HydrophobicContact CD1-CG 4.34Å; L3-W52 HydrophobicContact CD1-CH2 3.47Å; L3-W52 VanDerWaalsContact CD1-CH2 3.47Å; L3-W52 HydrophobicContact CD1-CZ2 3.45Å; L3-W52 VanDerWaalsContact CD1-CZ2 3.45Å; L3-W52 HydrophobicContact CD1-CZ3 3.5Å; L46-W52 PolarHBondContact O-NE1 3.17Å; M47-W52 HydrophobicContact CG-CZ2 4.4Å; W52-E61 PolarHBondContact O-N 3.46Å; W52-L62 WeakPolarHBondContact CB-O 3.41Å; W52-L62 PolarHBondContact N-O 3.28Å; W52-L62 PolarHBondContact O-N 3.17Å; W52-L62 VanDerWaalsContact O-N 3.12Å; W52-F64 VanDerWaalsContact CD1-N 3.3Å; W52-F64 HydrophobicContact CD2-CB 4.06Å; W52-F64 AromaticContact CD2-CD2 3.92Å; W52-F64 HydrophobicContact CD2-CD2 3.92Å; W52-F64 HydrophobicContact CD2-CG 4.49Å; W52-F64 AromaticContact CE2-CD2 3.96Å; W52-F64 AromaticContact CE3-CD2 3.73Å; W52-F64 HydrophobicContact CE3-CD2 3.73Å; W52-F64 HydrophobicContact CE3-CE2 4.45Å; W52-F64 HydrophobicContact CG-CB 4.3Å; W52-F64 AromaticContact CH2-CD2 3.64Å; W52-F64 HydrophobicContact CH2-CD2 3.64Å; W52-F64 HydrophobicContact CH2-CE2 4.08Å; W52-F64 HydrophobicContact CH2-CG 4.43Å; W52-F64 HydrophobicContact CZ2-CB 4.08Å; W52-F64 AromaticContact CZ2-CD2 3.83Å; W52-F64 HydrophobicContact CZ2-CD2 3.83Å; W52-F64 HydrophobicContact CZ2-CG 4.21Å; W52-F64 AromaticContact CZ3-CD2 3.59Å; W52-F64 HydrophobicContact CZ3-CD2 3.59Å; W52-F64 AromaticContact CZ3-CE2 3.98Å; W52-F64 HydrophobicContact CZ3-CE2 3.98Å; W52-A67 HydrophobicContact CB-CB 4.04Å
53A81.2Confident80.7Confident9 Ų965.7 Ų65.77%0.07433%0.328CS..  trans-129.2141.417100000111.8R55 R59 F60A53-R55 PolarHBondContact O-N 3.15Å; A53-R59 CarbonylContact C-O 3.52Å; A53-R59 WeakPolarHBondContact CA-O 3.27Å; A53-F60 HydrophobicContact CB-CB 4.16Å
54C83.6Confident81.3Confident1 Ų166.5 Ų66.51%0.00733%0.33CS..  trans-65.3115.5170.7170.70000110T56 L57 G58 R59 L62 C70 E71C54-T56 VanDerWaalsContact C-N 3.28Å; C54-T56 PolarHBondContact O-N 3.34Å; C54-L57 PolarHBondContact O-N 3.15Å; C54-G58 VanDerWaalsContact O-CA 3.31Å; C54-G58 WeakPolarHBondContact O-CA 3.48Å; C54-G58 PolarHBondContact O-N 3.23Å; C54-R59 HydrophobicContact CB-CB 4.28Å; C54-R59 PolarHBondContact N-O 3.18Å; C54-L62 HydrophobicContact CB-CD1 4.13Å; C54-C70 HydrophobicContact CB-CB 4Å; C54-E71 HydrophobicContact CB-CG 4.37Å; C54-E71 VanDerWaalsContact SG-CG 3.57Å
55R81.3Confident81.9Confident58 Ų5870.1 Ų70.122%0.21935%0.348CS..THydrogen-bonded Turntrans-51.6-43.6176.5173.9-178149.8176.9-5.5112.6A53 E71 T224 A226 D241A53-R55 PolarHBondContact O-N 3.15Å; R55-E71 WeakPolarHBondContact CB-OE1 3.46Å; R55-E71 PolarHBondContact N-OE1 3.39Å; R55-T224 PolarHBondContact NH2-O 3.43Å; R55-A226 PolarHBondContact NH2-O 2.69Å; R55-D241 IonicContact CZ-OD1 3.45Å; R55-D241 VanDerWaalsContact CZ-OD1 3.26Å; R55-D241 IonicContact CZ-OD2 3.12Å; R55-D241 IonicContact NH1-OD1 3.23Å; R55-D241 PolarHBondContact NH1-OD1 3.01Å; R55-D241 IonicContact NH1-OD2 3.47Å; R55-D241 PolarHBondContact NH1-OD2 3.21Å; R55-D241 IonicContact NH2-OD1 2.75Å; R55-D241 PolarHBondContact NH2-OD1 3.09Å; R55-D241 IonicContact NH2-OD2 3.55Å; R55-D241 PolarHBondContact NH2-OD2 3.08Å
56T83.2Confident82.3Confident4 Ų469.2 Ų69.23%0.02534%0.34CS..THydrogen-bonded Turntrans-73.4-38.3-172.2-41.40000113.6C54 C74 L220 R223 T224C54-T56 VanDerWaalsContact C-N 3.28Å; C54-T56 PolarHBondContact O-N 3.34Å; T56-C74 HydrophobicContact CG2-CB 3.68Å; T56-L220 HydrophobicContact CG2-CD1 3.74Å; T56-L220 HydrophobicContact CG2-CG 4.45Å; T56-R223 HydrophobicContact CG2-CB 4.15Å; T56-R223 WeakPolarHBondContact O-CD 3.21Å; T56-T224 VanDerWaalsContact CG2-OG1 3.28Å; T56-T224 WeakPolarHBondContact CG2-OG1 3.49Å
57L84.4Confident82.7Confident78 Ų7867.7 Ų67.741%0.40833%0.332SS..THydrogen-bonded Turntrans-109.7-12.9-174.8-64.4-175.2000114.7C54 R59 C74 L220C54-L57 PolarHBondContact O-N 3.15Å; L57-R59 HydrophobicContact CB-CG 4.08Å; L57-R59 PolarHBondContact O-N 3.02Å; L57-C74 VanDerWaalsContact CD1-SG 3.58Å; L57-C74 VanDerWaalsContact CG-SG 3.52Å; L57-L220 HydrophobicContact CD2-CD1 3.88Å
58G78.6Confident83.1Confident52 Ų5267.6 Ų67.654%0.53633%0.333SS..  trans69.716.8-173.200000114.4C54 F60C54-G58 VanDerWaalsContact O-CA 3.31Å; C54-G58 WeakPolarHBondContact O-CA 3.48Å; C54-G58 PolarHBondContact O-N 3.23Å; G58-F60 PolarHBondContact O-N 2.81Å
59R81.7Confident83.4Confident152 Ų15263.6 Ų63.657%0.57433%0.325SS*.  trans-73.4115.3176.1-70.3-179.3175.7-169-5.2109.7A53 C54 L57 L62A53-R59 CarbonylContact C-O 3.52Å; A53-R59 WeakPolarHBondContact CA-O 3.27Å; C54-R59 HydrophobicContact CB-CB 4.28Å; C54-R59 PolarHBondContact N-O 3.18Å; L57-R59 HydrophobicContact CB-CG 4.08Å; L57-R59 PolarHBondContact O-N 3.02Å; R59-L62 HydrophobicContact CB-CD1 4.21Å; R59-L62 WeakPolarHBondContact O-CD1 3.44Å
60F81.6Confident83.6Confident126 Ų12663.1 Ų63.155%0.55332%0.321SS*.  trans-94.8-175178.959.8-88.2000111.7A53 G58 L62A53-F60 HydrophobicContact CB-CB 4.16Å; G58-F60 PolarHBondContact O-N 2.81Å; F60-L62 VanDerWaalsContact C-N 3.25Å; F60-L62 PolarHBondContact O-N 2.74Å
61E83.3Confident83.6Confident136 Ų13658.1 Ų58.164%0.63630%0.3SS*.SBendtrans61.926.6-178.4-88.1170.6-139.900115.1K50 W52K50-E61 WeakPolarHBondContact O-CA 3.01Å; W52-E61 PolarHBondContact O-N 3.46Å
62L83.9Confident84Confident31 Ų3156.4 Ų56.416%0.16229%0.292CS..BIsolated β-bridgetrans-98.7150.2178.9-55.8-177.4000110.9K50 W52 C54 R59 F60 Q66 A67 C70K50-L62 CarbonylContact C-O 3.52Å; K50-L62 WeakPolarHBondContact CA-O 3.39Å; W52-L62 WeakPolarHBondContact CB-O 3.41Å; W52-L62 PolarHBondContact N-O 3.28Å; W52-L62 PolarHBondContact O-N 3.17Å; W52-L62 VanDerWaalsContact O-N 3.12Å; C54-L62 HydrophobicContact CB-CD1 4.13Å; R59-L62 HydrophobicContact CB-CD1 4.21Å; R59-L62 WeakPolarHBondContact O-CD1 3.44Å; F60-L62 VanDerWaalsContact C-N 3.25Å; F60-L62 PolarHBondContact O-N 2.74Å; L62-Q66 HydrophobicContact CB-CB 3.95Å; L62-Q66 HydrophobicContact CD2-CB 4.25Å; L62-A67 HydrophobicContact CB-CB 4.1Å; L62-A67 HydrophobicContact CD1-CB 4.13Å; L62-C70 HydrophobicContact CD1-CB 4.35Å
63T86.9Confident84.5Confident19 Ų1962.9 Ų62.912%0.11732%0.321CS..  trans-69.6163.9158.167.50000110.1E48 S49 K50 T65 Q66 A67E48-T63 WeakPolarHBondContact O-CG2 3.35Å; S49-T63 WeakPolarHBondContact O-CA 3.43Å; K50-T63 HydrophobicContact CG-CG2 4.2Å; T63-T65 VanDerWaalsContact C-N 3.27Å; T63-T65 PolarHBondContact O-N 2.78Å; T63-T65 PolarHBondContact OG1-OG1 2.83Å; T63-Q66 VanDerWaalsContact N-OE1 3.14Å; T63-Q66 PolarHBondContact O-N 2.7Å; T63-Q66 VanDerWaalsContact O-N 3.11Å; T63-Q66 WeakPolarHBondContact OG1-CB 3.43Å; T63-Q66 VanDerWaalsContact OG1-CG 3.24Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.34Å; T63-Q66 PolarHBondContact OG1-N 3.43Å; T63-A67 PolarHBondContact O-N 2.83Å
64F82Confident84.9Confident58 Ų5863 Ų6325%0.25432%0.321SS..Hα-helixtrans-53.4-46.2175.8179.1-115.9000112M1 M47 W52 Q66 A67 L68M1-F64 HydrophobicContact SD-CD2 4Å; M1-F64 HydrophobicContact SD-CE2 4.13Å; M47-F64 HydrophobicContact CB-CB 4.05Å; M47-F64 HydrophobicContact CG-CB 4.31Å; M47-F64 HydrophobicContact CG-CD1 4.21Å; M47-F64 HydrophobicContact CG-CG 4.31Å; M47-F64 WeakPolarHBondContact O-CB 3.36Å; M47-F64 PolarHBondContact O-N 3.45Å; M47-F64 HydrophobicContact SD-CD1 4.11Å; M47-F64 HydrophobicContact SD-CE1 4.38Å; W52-F64 VanDerWaalsContact CD1-N 3.3Å; W52-F64 HydrophobicContact CD2-CB 4.06Å; W52-F64 AromaticContact CD2-CD2 3.92Å; W52-F64 HydrophobicContact CD2-CD2 3.92Å; W52-F64 HydrophobicContact CD2-CG 4.49Å; W52-F64 AromaticContact CE2-CD2 3.96Å; W52-F64 AromaticContact CE3-CD2 3.73Å; W52-F64 HydrophobicContact CE3-CD2 3.73Å; W52-F64 HydrophobicContact CE3-CE2 4.45Å; W52-F64 HydrophobicContact CG-CB 4.3Å; W52-F64 AromaticContact CH2-CD2 3.64Å; W52-F64 HydrophobicContact CH2-CD2 3.64Å; W52-F64 HydrophobicContact CH2-CE2 4.08Å; W52-F64 HydrophobicContact CH2-CG 4.43Å; W52-F64 HydrophobicContact CZ2-CB 4.08Å; W52-F64 AromaticContact CZ2-CD2 3.83Å; W52-F64 HydrophobicContact CZ2-CD2 3.83Å; W52-F64 HydrophobicContact CZ2-CG 4.21Å; W52-F64 AromaticContact CZ3-CD2 3.59Å; W52-F64 HydrophobicContact CZ3-CD2 3.59Å; W52-F64 AromaticContact CZ3-CE2 3.98Å; W52-F64 HydrophobicContact CZ3-CE2 3.98Å; F64-Q66 PolarHBondContact O-N 2.99Å; F64-A67 PolarHBondContact O-N 2.97Å; F64-L68 HydrophobicContact CD1-CD1 3.99Å; F64-L68 HydrophobicContact CE1-CD1 3.52Å; F64-L68 HydrophobicContact CE1-CG 4.45Å; F64-L68 HydrophobicContact CE2-CD1 4.2Å; F64-L68 HydrophobicContact CE2-CG 4.33Å; F64-L68 HydrophobicContact CZ-CD1 3.64Å; F64-L68 HydrophobicContact CZ-CG 4.24Å; F64-L68 WeakPolarHBondContact O-CG 3.42Å; F64-L68 PolarHBondContact O-N 3.38Å
65T85.1Confident85.1Confident97 Ų9767.2 Ų67.260%0.59534%0.337SS*.Hα-helixtrans-64.1-37.317850.20000113.3T63 A69T63-T65 VanDerWaalsContact C-N 3.27Å; T63-T65 PolarHBondContact O-N 2.78Å; T63-T65 PolarHBondContact OG1-OG1 2.83Å; T65-A69 WeakPolarHBondContact O-CB 3.29Å; T65-A69 PolarHBondContact O-N 3.27Å
66Q88.7Confident85.4Confident92 Ų9271.6 Ų71.643%0.4335%0.353SS..Hα-helixtrans-71.7-38.1176-73.2170.6-7.300112.3L62 T63 F64 C70L62-Q66 HydrophobicContact CB-CB 3.95Å; L62-Q66 HydrophobicContact CD2-CB 4.25Å; T63-Q66 VanDerWaalsContact N-OE1 3.14Å; T63-Q66 PolarHBondContact O-N 2.7Å; T63-Q66 VanDerWaalsContact O-N 3.11Å; T63-Q66 WeakPolarHBondContact OG1-CB 3.43Å; T63-Q66 VanDerWaalsContact OG1-CG 3.24Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.34Å; T63-Q66 PolarHBondContact OG1-N 3.43Å; F64-Q66 PolarHBondContact O-N 2.99Å; Q66-C70 WeakPolarHBondContact O-CB 3.47Å; Q66-C70 PolarHBondContact O-N 3.01Å
67A85.6Confident85.8Confident0 Ų076.2 Ų76.20%037%0.373CS..Hα-helixtrans-63.2-46.1174.600000110.7M1 W52 L62 T63 F64 C70 E71M1-A67 VanDerWaalsContact CE-C 3.45Å; M1-A67 HydrophobicContact CE-CB 3.52Å; M1-A67 HydrophobicContact SD-CB 3.64Å; W52-A67 HydrophobicContact CB-CB 4.04Å; L62-A67 HydrophobicContact CB-CB 4.1Å; L62-A67 HydrophobicContact CD1-CB 4.13Å; T63-A67 PolarHBondContact O-N 2.83Å; F64-A67 PolarHBondContact O-N 2.97Å; A67-C70 WeakPolarHBondContact O-CB 3.05Å; A67-C70 PolarHBondContact O-N 3.4Å; A67-C70 VanDerWaalsContact O-N 3.12Å; A67-E71 WeakPolarHBondContact O-CG 3.48Å; A67-E71 PolarHBondContact O-N 3.43Å
68L84.1Confident86Confident76 Ų7672.6 Ų72.640%0.39835%0.354SS..Hα-helixtrans-61-47.4176.6-77.2175.8000111.7M1 F64 C70 E71 E72M1-L68 HydrophobicContact CE-CB 4.29Å; M1-L68 HydrophobicContact CE-CD2 3.61Å; M1-L68 HydrophobicContact CE-CG 3.76Å; M1-L68 VanDerWaalsContact CE-N 3.35Å; F64-L68 HydrophobicContact CD1-CD1 3.99Å; F64-L68 HydrophobicContact CE1-CD1 3.52Å; F64-L68 HydrophobicContact CE1-CG 4.45Å; F64-L68 HydrophobicContact CE2-CD1 4.2Å; F64-L68 HydrophobicContact CE2-CG 4.33Å; F64-L68 HydrophobicContact CZ-CD1 3.64Å; F64-L68 HydrophobicContact CZ-CG 4.24Å; F64-L68 WeakPolarHBondContact O-CG 3.42Å; F64-L68 PolarHBondContact O-N 3.38Å; L68-C70 PolarHBondContact O-N 2.92Å; L68-E71 PolarHBondContact O-N 2.95Å; L68-E72 VanDerWaalsContact O-CB 3.32Å; L68-E72 WeakPolarHBondContact O-CB 3.22Å; L68-E72 PolarHBondContact O-N 2.75Å
69A87.5Confident86.4Confident63 Ų6373.9 Ų73.952%0.52135%0.346SS..Hα-helixtrans-60.8-30.3176.500000112.7T65 K73T65-A69 WeakPolarHBondContact O-CB 3.29Å; T65-A69 PolarHBondContact O-N 3.27Å; A69-K73 VanDerWaalsContact O-CB 3.31Å; A69-K73 WeakPolarHBondContact O-CB 3.24Å; A69-K73 PolarHBondContact O-N 3.3Å
70C88.4Confident86.7Confident17 Ų1771.2 Ų71.212%0.11535%0.351CS..Hα-helixtrans-74.9-40.7175.9-1680000112.6C54 L62 Q66 A67 L68 C74C54-C70 HydrophobicContact CB-CB 4Å; L62-C70 HydrophobicContact CD1-CB 4.35Å; Q66-C70 WeakPolarHBondContact O-CB 3.47Å; Q66-C70 PolarHBondContact O-N 3.01Å; A67-C70 WeakPolarHBondContact O-CB 3.05Å; A67-C70 PolarHBondContact O-N 3.4Å; A67-C70 VanDerWaalsContact O-N 3.12Å; L68-C70 PolarHBondContact O-N 2.92Å; C70-C74 PolarHBondContact O-N 3.17Å; C70-C74 PolarHBondContact O-SG 3.23Å
71E87Confident87Confident36 Ų3669.5 Ų69.517%0.16835%0.345CS..Hα-helixtrans-65.7-49175.2-69.9178.4-173.700111.3M1 C54 R55 A67 L68 K73 C74 R75M1-E71 HydrophobicContact CE-CG 4.26Å; M1-E71 VanDerWaalsContact CE-OE1 3.25Å; M1-E71 WeakPolarHBondContact CE-OE1 3.06Å; M1-E71 VanDerWaalsContact CE-OE2 3.28Å; M1-E71 WeakPolarHBondContact CE-OE2 3.39Å; C54-E71 HydrophobicContact CB-CG 4.37Å; C54-E71 VanDerWaalsContact SG-CG 3.57Å; R55-E71 WeakPolarHBondContact CB-OE1 3.46Å; R55-E71 PolarHBondContact N-OE1 3.39Å; A67-E71 WeakPolarHBondContact O-CG 3.48Å; A67-E71 PolarHBondContact O-N 3.43Å; L68-E71 PolarHBondContact O-N 2.95Å; E71-K73 VanDerWaalsContact C-N 3.28Å; E71-K73 PolarHBondContact O-N 2.7Å; E71-C74 CarbonylContact O-C 3.52Å; E71-C74 WeakPolarHBondContact O-CA 3.2Å; E71-C74 WeakPolarHBondContact O-CB 3.48Å; E71-C74 PolarHBondContact O-N 3.18Å; E71-R75 PolarHBondContact O-N 3.39Å
72E86.8Confident87.4Confident55 Ų5563.3 Ų63.326%0.25732%0.316SS..Hα-helixtrans-58.5-38.1176.917260.7-172.800112.3L68 C74 R75 R76L68-E72 VanDerWaalsContact O-CB 3.32Å; L68-E72 WeakPolarHBondContact O-CB 3.22Å; L68-E72 PolarHBondContact O-N 2.75Å; E72-C74 VanDerWaalsContact C-N 3.31Å; E72-C74 PolarHBondContact O-N 3.22Å; E72-R75 PolarHBondContact O-N 3.4Å; E72-R75 IonicContact OE1-NH2 2.69Å; E72-R75 PolarHBondContact OE1-NH2 3.05Å; E72-R75 IonicContact OE2-CZ 3.63Å; E72-R75 VanDerWaalsContact OE2-CZ 3.23Å; E72-R75 IonicContact OE2-NE 3.07Å; E72-R75 PolarHBondContact OE2-NE 2.85Å; E72-R75 IonicContact OE2-NH2 3.13Å; E72-R75 PolarHBondContact OE2-NH2 3.28Å; E72-R76 WeakPolarHBondContact O-CG 3.43Å; E72-R76 PolarHBondContact O-N 3.23Å; E72-R76 VanDerWaalsContact O-N 3.1Å; E72-R76 IonicContact OE1-CZ 3.22Å; E72-R76 IonicContact OE1-NE 2.69Å; E72-R76 PolarHBondContact OE1-NE 3.4Å; E72-R76 IonicContact OE1-NH2 3.48Å; E72-R76 PolarHBondContact OE1-NH2 3.4Å
73K90.1Very high87.6Confident161 Ų16163.7 Ų63.770%0.732%0.324SS*.Hα-helixtrans-65.9-33.1173.5-175172.6-176.3171.10112.6A69 E71 K77A69-K73 VanDerWaalsContact O-CB 3.31Å; A69-K73 WeakPolarHBondContact O-CB 3.24Å; A69-K73 PolarHBondContact O-N 3.3Å; E71-K73 VanDerWaalsContact C-N 3.28Å; E71-K73 PolarHBondContact O-N 2.7Å; K73-K77 WeakPolarHBondContact O-CB 3.44Å; K73-K77 PolarHBondContact O-N 3.01Å
74C88.4Confident87.7Confident10 Ų1070.8 Ų70.87%0.06836%0.355CS..Hα-helixtrans-73.3-38.6173.8-63.30000111.7T56 L57 C70 E71 E72 K77 V78T56-C74 HydrophobicContact CG2-CB 3.68Å; L57-C74 VanDerWaalsContact CD1-SG 3.58Å; L57-C74 VanDerWaalsContact CG-SG 3.52Å; C70-C74 PolarHBondContact O-N 3.17Å; C70-C74 PolarHBondContact O-SG 3.23Å; E71-C74 CarbonylContact O-C 3.52Å; E71-C74 WeakPolarHBondContact O-CA 3.2Å; E71-C74 WeakPolarHBondContact O-CB 3.48Å; E71-C74 PolarHBondContact O-N 3.18Å; E72-C74 VanDerWaalsContact C-N 3.31Å; E72-C74 PolarHBondContact O-N 3.22Å; C74-K77 PolarHBondContact O-N 3.43Å; C74-V78 WeakPolarHBondContact O-CG2 3.41Å; C74-V78 PolarHBondContact O-N 2.83Å
75R87.7Confident88Confident90 Ų9069.6 Ų69.634%0.3435%0.353SS..Hα-helixtrans-58-56.6177-169.7178.767.895.6-10.2112E71 E72 K77 V78 E79 T224 F225E71-R75 PolarHBondContact O-N 3.39Å; E72-R75 PolarHBondContact O-N 3.4Å; E72-R75 IonicContact OE1-NH2 2.69Å; E72-R75 PolarHBondContact OE1-NH2 3.05Å; E72-R75 IonicContact OE2-CZ 3.63Å; E72-R75 VanDerWaalsContact OE2-CZ 3.23Å; E72-R75 IonicContact OE2-NE 3.07Å; E72-R75 PolarHBondContact OE2-NE 2.85Å; E72-R75 IonicContact OE2-NH2 3.13Å; E72-R75 PolarHBondContact OE2-NH2 3.28Å; R75-K77 PolarHBondContact O-N 3.46Å; R75-V78 PolarHBondContact O-N 2.98Å; R75-E79 HydrophobicContact CG-CG 4.5Å; R75-E79 VanDerWaalsContact CG-OE1 3.32Å; R75-E79 WeakPolarHBondContact CG-OE1 3.27Å; R75-E79 IonicContact CZ-OE1 3.26Å; R75-E79 IonicContact NE-OE1 3.77Å; R75-E79 IonicContact NH1-OE1 2.92Å; R75-E79 PolarHBondContact NH1-OE1 2.85Å; R75-E79 IonicContact NH1-OE2 2.73Å; R75-E79 PolarHBondContact NH1-OE2 3.1Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 3.35Å; R75-T224 HydrophobicContact CB-CG2 3.99Å; R75-T224 HydrophobicContact CG-CG2 4.09Å; R75-F225 HydrophobicContact CG-CE1 3.98Å; R75-F225 HydrophobicContact CG-CZ 3.87Å
76R88.9Confident88.3Confident150 Ų15065 Ų6557%0.56632%0.324SS*.Hα-helixtrans-55.7-38.5175.9-64178.1-159.6162.54.9112.9E72 S80E72-R76 WeakPolarHBondContact O-CG 3.43Å; E72-R76 PolarHBondContact O-N 3.23Å; E72-R76 VanDerWaalsContact O-N 3.1Å; E72-R76 IonicContact OE1-CZ 3.22Å; E72-R76 IonicContact OE1-NE 2.69Å; E72-R76 PolarHBondContact OE1-NE 3.4Å; E72-R76 IonicContact OE1-NH2 3.48Å; E72-R76 PolarHBondContact OE1-NH2 3.4Å; R76-S80 WeakPolarHBondContact O-CB 3.31Å; R76-S80 PolarHBondContact O-N 3.18Å; R76-S80 PolarHBondContact O-OG 3.17Å
77K90.2Very high88.3Confident102 Ų10261.7 Ų61.744%0.44331%0.311SS..Hα-helixtrans-64.1-45.7177.8179171.5178.41700111.3K73 C74 R75 S80 E81 L220K73-K77 WeakPolarHBondContact O-CB 3.44Å; K73-K77 PolarHBondContact O-N 3.01Å; C74-K77 PolarHBondContact O-N 3.43Å; R75-K77 PolarHBondContact O-N 3.46Å; K77-S80 PolarHBondContact O-N 2.92Å; K77-S80 PolarHBondContact O-OG 3.27Å; K77-E81 WeakPolarHBondContact CE-OE1 3.43Å; K77-E81 IonicContact NZ-OE1 3.51Å; K77-E81 PolarHBondContact NZ-OE1 3.01Å; K77-E81 PolarHBondContact O-N 2.93Å; K77-E81 VanDerWaalsContact O-N 3.11Å; K77-L220 HydrophobicContact CD-CD2 4.38Å
78V89.7Confident88.4Confident1 Ų164.6 Ų64.61%0.00633%0.327CS..Hα-helixtrans-64.1-46.4177.31700000111.2C74 R75 S80 E81 I82 L220 F221 F225C74-V78 WeakPolarHBondContact O-CG2 3.41Å; C74-V78 PolarHBondContact O-N 2.83Å; R75-V78 PolarHBondContact O-N 2.98Å; V78-S80 PolarHBondContact O-N 3.01Å; V78-E81 PolarHBondContact O-N 3.47Å; V78-I82 PolarHBondContact O-N 3.36Å; V78-L220 HydrophobicContact CG2-CB 3.95Å; V78-L220 HydrophobicContact CG2-CD2 3.56Å; V78-L220 HydrophobicContact CG2-CG 3.51Å; V78-F221 HydrophobicContact CG1-CB 3.74Å; V78-F221 HydrophobicContact CG1-CD2 3.29Å; V78-F221 HydrophobicContact CG1-CE2 4.24Å; V78-F221 HydrophobicContact CG1-CG 3.9Å; V78-F225 HydrophobicContact CG1-CE2 3.84Å
79E85.9Confident88.7Confident80 Ų8061.2 Ų61.237%0.37431%0.31SS..Hα-helixtrans-59.3-27.8176.4-69.5165.7169.700112.4R75 F225R75-E79 HydrophobicContact CG-CG 4.5Å; R75-E79 VanDerWaalsContact CG-OE1 3.32Å; R75-E79 WeakPolarHBondContact CG-OE1 3.27Å; R75-E79 IonicContact CZ-OE1 3.26Å; R75-E79 IonicContact NE-OE1 3.77Å; R75-E79 IonicContact NH1-OE1 2.92Å; R75-E79 PolarHBondContact NH1-OE1 2.85Å; R75-E79 IonicContact NH1-OE2 2.73Å; R75-E79 PolarHBondContact NH1-OE2 3.1Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 3.35Å; E79-F225 HydrophobicContact CG-CZ 4.29Å
80S88.7Confident88.9Confident96 Ų9658.2 Ų58.267%0.67129%0.285SS*.Hα-helixtrans-85.8-20.417472.20000115.4R76 K77 V78R76-S80 WeakPolarHBondContact O-CB 3.31Å; R76-S80 PolarHBondContact O-N 3.18Å; R76-S80 PolarHBondContact O-OG 3.17Å; K77-S80 PolarHBondContact O-N 2.92Å; K77-S80 PolarHBondContact O-OG 3.27Å; V78-S80 PolarHBondContact O-N 3.01Å
81E89Confident89Confident90 Ų9057.7 Ų57.742%0.42128%0.281SS..Hα-helixtrans-98.5-22.2-178.1-76.6-171.3-164.200113.6K77 V78 T217K77-E81 WeakPolarHBondContact CE-OE1 3.43Å; K77-E81 IonicContact NZ-OE1 3.51Å; K77-E81 PolarHBondContact NZ-OE1 3.01Å; K77-E81 PolarHBondContact O-N 2.93Å; K77-E81 VanDerWaalsContact O-N 3.11Å; V78-E81 PolarHBondContact O-N 3.47Å; E81-T217 HydrophobicContact CB-CG2 3.56Å; E81-T217 HydrophobicContact CG-CG2 4.48Å; E81-T217 WeakPolarHBondContact OE2-CB 3.09Å; E81-T217 WeakPolarHBondContact OE2-CG2 3.02Å; E81-T217 PolarHBondContact OE2-OG1 3.35Å
82I90.9Very high89Confident6 Ų656.2 Ų56.23%0.03127%0.274CS..SBendtrans-112.1122.5178.3-60-159.8000110V78 F86 I90 P213 T217 L218 F221V78-I82 PolarHBondContact O-N 3.36Å; I82-F86 HydrophobicContact CG2-CB 3.92Å; I82-I90 HydrophobicContact CD1-CD1 4.11Å; I82-I90 HydrophobicContact CG2-CD1 4.18Å; I82-P213 HydrophobicContact CB-CG 4.47Å; I82-P213 HydrophobicContact CD1-CB 3.74Å; I82-P213 HydrophobicContact CD1-CG 3.91Å; I82-P213 HydrophobicContact CG1-CB 4.01Å; I82-P213 HydrophobicContact CG1-CG 4Å; I82-P213 HydrophobicContact CG2-CG 4.03Å; I82-T217 HydrophobicContact CD1-CG2 3.83Å; I82-T217 HydrophobicContact CG1-CG2 3.48Å; I82-T217 VanDerWaalsContact CG1-CG2 3.48Å; I82-L218 HydrophobicContact CD1-CD2 4.22Å; I82-F221 HydrophobicContact CD1-CB 3.94Å; I82-F221 HydrophobicContact CD1-CD2 3.7Å; I82-F221 HydrophobicContact CD1-CG 4.04Å; I82-F221 HydrophobicContact CG1-CD2 4.49Å
83A89.1Confident89.1Confident39 Ų3955 Ų5532%0.32227%0.269SS..  trans-62.2137.117400000111.2V85 F86 Y210A83-V85 HydrophobicContact CB-CG2 4.15Å; A83-V85 PolarHBondContact O-N 3.24Å; A83-F86 HydrophobicContact CB-CD2 4.11Å; A83-F86 HydrophobicContact CB-CE2 4.27Å; A83-F86 PolarHBondContact O-N 3.22Å; A83-Y210 HydrophobicContact CB-CD1 3.83Å; A83-Y210 HydrophobicContact CB-CE1 3.97Å
84Q87.4Confident89.1Confident168 Ų16847.5 Ų47.579%0.78524%0.236SC*.Hα-helixtrans-55-32.4-170.9-168170.91.600114.1F86 C87Q84-F86 PolarHBondContact O-N 3.5Å; Q84-F86 VanDerWaalsContact O-N 3.13Å; Q84-C87 WeakPolarHBondContact O-CB 3.42Å; Q84-C87 PolarHBondContact O-N 3.48Å; Q84-C87 VanDerWaalsContact O-N 3.09Å
85V88Confident89Confident32 Ų3250.1 Ų50.119%0.19425%0.247CC..Hα-helixtrans-56.1-25.3174.5-61.80000114.1A83 P89 Y210A83-V85 HydrophobicContact CB-CG2 4.15Å; A83-V85 PolarHBondContact O-N 3.24Å; V85-P89 VanDerWaalsContact O-CD 3.3Å; V85-P89 WeakPolarHBondContact O-CD 3.49Å; V85-P89 WeakPolarHBondContact O-CG 3.47Å; V85-Y210 HydrophobicContact CG1-CE1 4.27Å; V85-Y210 HydrophobicContact CG2-CD1 3.78Å; V85-Y210 HydrophobicContact CG2-CE1 3.44Å; V85-Y210 VanDerWaalsContact CG2-CE1 3.44Å
86F91.4Very high88.8Confident0 Ų047.1 Ų47.10%024%0.244CC..Hα-helixtrans-92.8-18.7179-58.2-47.3000113.5I82 A83 Q84 N88 P89 I90 L112 F117 Y210 P213I82-F86 HydrophobicContact CG2-CB 3.92Å; A83-F86 HydrophobicContact CB-CD2 4.11Å; A83-F86 HydrophobicContact CB-CE2 4.27Å; A83-F86 PolarHBondContact O-N 3.22Å; Q84-F86 PolarHBondContact O-N 3.5Å; Q84-F86 VanDerWaalsContact O-N 3.13Å; F86-N88 PolarHBondContact O-N 3.27Å; F86-P89 WeakPolarHBondContact O-CD 2.95Å; F86-I90 HydrophobicContact CB-CD1 3.96Å; F86-I90 WeakPolarHBondContact O-CB 3.44Å; F86-I90 VanDerWaalsContact O-CD1 3.31Å; F86-I90 WeakPolarHBondContact O-CD1 3.41Å; F86-I90 WeakPolarHBondContact O-CG1 3.41Å; F86-I90 PolarHBondContact O-N 3.44Å; F86-L112 HydrophobicContact CB-CD2 4.48Å; F86-L112 HydrophobicContact CD1-CD2 3.96Å; F86-L112 HydrophobicContact CG-CD2 4.46Å; F86-F117 HydrophobicContact CD1-CD2 4.19Å; F86-F117 HydrophobicContact CE1-CD2 4.36Å; F86-Y210 HydrophobicContact CE2-CD1 4.13Å; F86-Y210 HydrophobicContact CZ-CD1 4.2Å; F86-Y210 HydrophobicContact CZ-CG 4.23Å; F86-P213 HydrophobicContact CD2-CG 4.09Å
87C89.8Confident88.6Confident23 Ų2342.8 Ų42.816%0.15523%0.229CC..Hα-helixtrans-58.3-52.3-175.6-66.10000111.5Q84 I90 L91 F221Q84-C87 WeakPolarHBondContact O-CB 3.42Å; Q84-C87 PolarHBondContact O-N 3.48Å; Q84-C87 VanDerWaalsContact O-N 3.09Å; C87-I90 PolarHBondContact O-N 3.49Å; C87-L91 VanDerWaalsContact O-CG 3.26Å; C87-L91 WeakPolarHBondContact O-CG 3.33Å; C87-L91 PolarHBondContact O-N 2.72Å; C87-F221 HydrophobicContact CB-CE2 4.23Å; C87-F221 HydrophobicContact CB-CZ 4.22Å
88N87.7Confident88.5Confident62 Ų6241.9 Ų41.933%0.33223%0.232SC..Hα-helixtrans-66.8-46.2-175.9-65.717.7000112.5F86 I90 L91 A92 L248F86-N88 PolarHBondContact O-N 3.27Å; N88-I90 VanDerWaalsContact C-N 3.35Å; N88-I90 PolarHBondContact O-N 3.23Å; N88-L91 PolarHBondContact O-N 3.19Å; N88-A92 WeakPolarHBondContact O-CB 3.26Å; N88-A92 PolarHBondContact O-N 2.98Å; N88-L248 HydrophobicContact CB-CD2 3.41Å; N88-L248 VanDerWaalsContact CB-CD2 3.41Å
89P89.5Confident88.2Confident5 Ų544.2 Ų44.23%0.03224%0.243CC..Hα-helixtrans-57.7-38.4170.8-27.634.9000115V85 F86 F93 F117 L172V85-P89 VanDerWaalsContact O-CD 3.3Å; V85-P89 WeakPolarHBondContact O-CD 3.49Å; V85-P89 WeakPolarHBondContact O-CG 3.47Å; F86-P89 WeakPolarHBondContact O-CD 2.95Å; P89-F93 VanDerWaalsContact O-CB 3.25Å; P89-F93 WeakPolarHBondContact O-CB 2.78Å; P89-F93 PolarHBondContact O-N 3.38Å; P89-F93 VanDerWaalsContact O-N 3.12Å; P89-F117 HydrophobicContact CB-CD1 3.77Å; P89-F117 HydrophobicContact CB-CD2 4.33Å; P89-F117 HydrophobicContact CB-CE1 3.71Å; P89-F117 HydrophobicContact CB-CE2 4.29Å; P89-F117 HydrophobicContact CB-CG 4.09Å; P89-F117 HydrophobicContact CB-CZ 3.99Å; P89-F117 HydrophobicContact CG-CB 4.01Å; P89-F117 HydrophobicContact CG-CD1 3.48Å; P89-F117 VanDerWaalsContact CG-CD1 3.48Å; P89-F117 HydrophobicContact CG-CD2 4.11Å; P89-F117 HydrophobicContact CG-CE1 3.98Å; P89-F117 HydrophobicContact CG-CG 3.55Å; P89-F117 HydrophobicContact CG-CZ 4.5Å; P89-L172 HydrophobicContact CB-CD1 4.27Å; P89-L172 HydrophobicContact CG-CD1 4.12Å; P89-L172 HydrophobicContact CG-CD2 4.48Å
90I92.1Very high88.3Confident0 Ų044 Ų440%025%0.249CC..Hα-helixtrans-65.8-49.8177.1-68.6163000110I82 F86 C87 N88 F93 V94 T108 L112 L218 F221I82-I90 HydrophobicContact CD1-CD1 4.11Å; I82-I90 HydrophobicContact CG2-CD1 4.18Å; F86-I90 HydrophobicContact CB-CD1 3.96Å; F86-I90 WeakPolarHBondContact O-CB 3.44Å; F86-I90 VanDerWaalsContact O-CD1 3.31Å; F86-I90 WeakPolarHBondContact O-CD1 3.41Å; F86-I90 WeakPolarHBondContact O-CG1 3.41Å; F86-I90 PolarHBondContact O-N 3.44Å; C87-I90 PolarHBondContact O-N 3.49Å; N88-I90 VanDerWaalsContact C-N 3.35Å; N88-I90 PolarHBondContact O-N 3.23Å; I90-F93 PolarHBondContact O-N 3.37Å; I90-V94 HydrophobicContact CG2-CG2 4.08Å; I90-V94 WeakPolarHBondContact O-CB 3.23Å; I90-V94 WeakPolarHBondContact O-CG2 3.22Å; I90-V94 PolarHBondContact O-N 3.41Å; I90-T108 HydrophobicContact CB-CG2 4.35Å; I90-T108 HydrophobicContact CG1-CG2 3.89Å; I90-T108 HydrophobicContact CG2-CG2 3.96Å; I90-L112 HydrophobicContact CD1-CD1 4.12Å; I90-L112 HydrophobicContact CG1-CD1 4.07Å; I90-L112 HydrophobicContact CG1-CD2 4.33Å; I90-L218 HydrophobicContact CD1-CD2 3.71Å; I90-L218 HydrophobicContact CG1-CD2 4.29Å; I90-F221 HydrophobicContact CB-CD1 4.48Å; I90-F221 HydrophobicContact CB-CE1 3.98Å; I90-F221 HydrophobicContact CB-CZ 4.36Å; I90-F221 HydrophobicContact CG2-CD1 3.55Å; I90-F221 HydrophobicContact CG2-CE1 3.4Å; I90-F221 VanDerWaalsContact CG2-CE1 3.4Å; I90-F221 HydrophobicContact CG2-CG 4.49Å; I90-F221 HydrophobicContact CG2-CZ 4.24Å
91L90.4Very high88.2Confident6 Ų640.4 Ų40.43%0.03122%0.222CC..Hα-helixtrans-61.6-48.1-178.2-66.3165.9000111.5C87 N88 F93 V94 H95 F221 F225 V240 K244 L248C87-L91 VanDerWaalsContact O-CG 3.26Å; C87-L91 WeakPolarHBondContact O-CG 3.33Å; C87-L91 PolarHBondContact O-N 2.72Å; N88-L91 PolarHBondContact O-N 3.19Å; L91-F93 VanDerWaalsContact C-N 3.27Å; L91-F93 PolarHBondContact O-N 3.13Å; L91-V94 PolarHBondContact O-N 3.35Å; L91-H95 WeakPolarHBondContact O-CB 3.19Å; L91-H95 PolarHBondContact O-N 3.2Å; L91-F221 HydrophobicContact CD1-CZ 4.25Å; L91-F221 HydrophobicContact CD2-CE1 3.54Å; L91-F221 HydrophobicContact CD2-CZ 3.89Å; L91-F221 HydrophobicContact CG-CE1 3.79Å; L91-F221 HydrophobicContact CG-CZ 3.8Å; L91-F225 HydrophobicContact CD2-CB 3.65Å; L91-F225 HydrophobicContact CD2-CG 4.45Å; L91-V240 HydrophobicContact CB-CG1 4.44Å; L91-V240 HydrophobicContact CB-CG2 4.32Å; L91-V240 HydrophobicContact CD2-CG1 3.77Å; L91-V240 HydrophobicContact CD2-CG2 4.06Å; L91-K244 HydrophobicContact CD1-CB 4.17Å; L91-L248 HydrophobicContact CB-CD1 3.68Å; L91-L248 HydrophobicContact CD1-CD1 4.21Å
92A86.4Confident88.3Confident4 Ų440.3 Ų40.33%0.03322%0.224CC..Hα-helixtrans-62-30.9177.700000113.3N88 F169 L172 L174N88-A92 WeakPolarHBondContact O-CB 3.26Å; N88-A92 PolarHBondContact O-N 2.98Å; A92-F169 HydrophobicContact CB-CD2 4.48Å; A92-L172 HydrophobicContact CB-CD1 4.36Å; A92-L174 HydrophobicContact CB-CD1 4.02Å
93F89.5Confident88.3Confident31 Ų3141.3 Ų41.314%0.13623%0.233CC..Hα-helixtrans-82.1-29176.5-176.6-96.9000113.8P89 I90 L91 K97 D107 M111 L174P89-F93 VanDerWaalsContact O-CB 3.25Å; P89-F93 WeakPolarHBondContact O-CB 2.78Å; P89-F93 PolarHBondContact O-N 3.38Å; P89-F93 VanDerWaalsContact O-N 3.12Å; I90-F93 PolarHBondContact O-N 3.37Å; L91-F93 VanDerWaalsContact C-N 3.27Å; L91-F93 PolarHBondContact O-N 3.13Å; F93-K97 WeakPolarHBondContact O-CE 3.24Å; F93-K97 WeakPolarHBondContact O-CG 3.18Å; F93-D107 HydrophobicContact CE1-CB 3.8Å; F93-D107 HydrophobicContact CZ-CB 3.98Å; F93-M111 HydrophobicContact CB-CE 3.82Å; F93-M111 HydrophobicContact CD1-CE 4.23Å; F93-M111 HydrophobicContact CD2-CB 4.34Å; F93-M111 HydrophobicContact CD2-CE 4.49Å; F93-M111 HydrophobicContact CD2-CG 3.75Å; F93-M111 HydrophobicContact CE1-CB 4.29Å; F93-M111 HydrophobicContact CE2-CB 4.07Å; F93-M111 HydrophobicContact CE2-CG 3.85Å; F93-M111 HydrophobicContact CG-CE 3.94Å; F93-M111 HydrophobicContact CG-CG 4.1Å; F93-M111 HydrophobicContact CZ-CB 4.03Å; F93-M111 HydrophobicContact CZ-CG 4.31Å; F93-L174 HydrophobicContact CB-CD1 4.23Å
94V90.1Very high88.4Confident3 Ų339.5 Ų39.52%0.01822%0.218CC..Hα-helixtrans-81.3-37.5-179.1168.20000111.7I90 L91 G96 K97 V104 V222 A226 W238I90-V94 HydrophobicContact CG2-CG2 4.08Å; I90-V94 WeakPolarHBondContact O-CB 3.23Å; I90-V94 WeakPolarHBondContact O-CG2 3.22Å; I90-V94 PolarHBondContact O-N 3.41Å; L91-V94 PolarHBondContact O-N 3.35Å; V94-G96 PolarHBondContact O-N 2.81Å; V94-K97 WeakPolarHBondContact O-CB 3.28Å; V94-K97 WeakPolarHBondContact O-CG 3.21Å; V94-K97 PolarHBondContact O-N 2.98Å; V94-K97 VanDerWaalsContact O-N 3.16Å; V94-V104 HydrophobicContact CB-CG1 4.45Å; V94-V104 HydrophobicContact CG1-CG1 4.21Å; V94-V104 HydrophobicContact CG2-CG1 3.84Å; V94-V222 HydrophobicContact CG1-CG1 4.19Å; V94-V222 HydrophobicContact CG1-CG2 4.43Å; V94-V222 HydrophobicContact CG2-CG2 3.96Å; V94-A226 HydrophobicContact CG1-CB 4.12Å; V94-W238 HydrophobicContact CG1-CB 4.01Å
95H87.1Confident88.7Confident65 Ų6531.5 Ų31.530%0.30118%0.181SC..THydrogen-bonded Turntrans-56.1129.9179.7-173.398000111.2L91 K97 V240L91-H95 WeakPolarHBondContact O-CB 3.19Å; L91-H95 PolarHBondContact O-N 3.2Å; H95-K97 VanDerWaalsContact C-N 3.32Å; H95-K97 PolarHBondContact O-N 2.68Å; H95-V240 HydrophobicContact CB-CB 4.48Å; H95-V240 HydrophobicContact CB-CG2 3.84Å
96G82.2Confident89Confident26 Ų2633.4 Ų33.427%0.26819%0.19SC..THydrogen-bonded Turntrans79.6-4.3179.900000116.1V94 V98 W238V94-G96 PolarHBondContact O-N 2.81Å; G96-V98 PolarHBondContact O-N 3.06Å; G96-W238 PolarHBondContact N-O 3.11Å
97K85.5Confident89Confident60 Ų6036.1 Ų36.126%0.26120%0.204SC..  trans-68.6122.3-178.9-71.4-75.8-176.1171.50112.4F93 V94 H95 Q99 V104 P237 W238F93-K97 WeakPolarHBondContact O-CE 3.24Å; F93-K97 WeakPolarHBondContact O-CG 3.18Å; V94-K97 WeakPolarHBondContact O-CB 3.28Å; V94-K97 WeakPolarHBondContact O-CG 3.21Å; V94-K97 PolarHBondContact O-N 2.98Å; V94-K97 VanDerWaalsContact O-N 3.16Å; H95-K97 VanDerWaalsContact C-N 3.32Å; H95-K97 PolarHBondContact O-N 2.68Å; K97-Q99 PolarHBondContact O-N 2.83Å; K97-V104 HydrophobicContact CB-CG2 4.1Å; K97-P237 WeakPolarHBondContact O-CA 3.4Å; K97-W238 VanDerWaalsContact O-CD1 3.31Å; K97-W238 PolarHBondContact O-N 2.87Å
98V87.2Confident89.2Confident83 Ų8335 Ų3550%0.50320%0.197SC..  trans-95.273.6176.7-174.70000110.5G96 S234 H235 P237G96-V98 PolarHBondContact O-N 3.06Å; V98-S234 WeakPolarHBondContact CG1-O 3.22Å; V98-H235 VanDerWaalsContact CG1-C 3.49Å; V98-H235 WeakPolarHBondContact CG1-O 3.35Å; V98-P237 HydrophobicContact CG2-CB 4.13Å
99Q84.7Confident89.5Confident49 Ų4934.6 Ų34.623%0.22919%0.193CC..SBendtrans-146.6158.9-173.9-83.4174.1-30.100111.7K97 A103 V104 D107 K228 W238K97-Q99 PolarHBondContact O-N 2.83Å; Q99-A103 HydrophobicContact CB-CB 4.19Å; Q99-A103 HydrophobicContact CG-CB 4.35Å; Q99-V104 HydrophobicContact CB-CG2 3.52Å; Q99-D107 PolarHBondContact NE2-OD2 2.91Å; Q99-D107 PolarHBondContact OE1-OD2 2.79Å; Q99-K228 WeakPolarHBondContact O-CE 3.39Å; Q99-K228 PolarHBondContact O-NZ 3.31Å; Q99-W238 PolarHBondContact O-NE1 2.8Å
100P86.6Confident89.7Confident77 Ų7737.5 Ų37.550%0.521%0.213SC..  trans-69.3152.9168.530.1-34.8000111.1N102 A103 V104P100-N102 PolarHBondContact O-N 3.49Å; P100-N102 VanDerWaalsContact O-N 3.09Å; P100-A103 HydrophobicContact CG-CB 3.93Å; P100-A103 PolarHBondContact O-N 2.83Å; P100-V104 PolarHBondContact O-N 3.42Å; P100-V104 VanDerWaalsContact O-N 3.15Å
101L88Confident89.7Confident20 Ų2038 Ų3811%0.10522%0.215CC..Hα-helixtrans-51.8-38.7-175.4-178.957.9000113.7V105 R219 V222 R223 W238L101-V105 HydrophobicContact CD1-CG2 3.93Å; L101-V105 HydrophobicContact CG-CG2 4.35Å; L101-V105 WeakPolarHBondContact O-CB 3.14Å; L101-V105 VanDerWaalsContact O-CG2 3.23Å; L101-V105 WeakPolarHBondContact O-CG2 3.27Å; L101-V105 PolarHBondContact O-N 3.43Å; L101-R219 HydrophobicContact CD2-CG 3.93Å; L101-R219 HydrophobicContact CG-CG 4.38Å; L101-V222 HydrophobicContact CD1-CB 3.97Å; L101-V222 HydrophobicContact CD1-CG1 3.54Å; L101-R223 HydrophobicContact CD2-CG 4.06Å; L101-R223 VanDerWaalsContact CD2-CZ 3.43Å; L101-R223 VanDerWaalsContact CD2-NE 3.26Å; L101-W238 HydrophobicContact CB-CH2 4.21Å; L101-W238 HydrophobicContact CB-CZ2 3.72Å; L101-W238 HydrophobicContact CD1-CH2 3.79Å; L101-W238 HydrophobicContact CD1-CZ2 3.83Å; L101-W238 HydrophobicContact CG-CH2 4.39Å; L101-W238 HydrophobicContact CG-CZ2 4.29Å
102N90.3Very high89.8Confident88 Ų8837.7 Ų37.747%0.47121%0.214SC..Hα-helixtrans-62.3-42.7178.9-68.3-18.4000112P100 N106 R219P100-N102 PolarHBondContact O-N 3.49Å; P100-N102 VanDerWaalsContact O-N 3.09Å; N102-N106 WeakPolarHBondContact O-CB 3.24Å; N102-N106 PolarHBondContact O-N 3.15Å; N102-N106 VanDerWaalsContact O-N 3.08Å; N102-N106 PolarHBondContact O-ND2 3.27Å; N102-N106 PolarHBondContact O-OD1 2.96Å; N102-R219 VanDerWaalsContact OD1-CZ 3.24Å; N102-R219 PolarHBondContact OD1-NH1 2.95Å; N102-R219 PolarHBondContact OD1-NH2 3.32Å
103A91.2Very high90Very high27 Ų2740.2 Ų40.222%0.22323%0.232CC..Hα-helixtrans-68.7-47.3179.200000110.8Q99 P100 V105 N106 D107Q99-A103 HydrophobicContact CB-CB 4.19Å; Q99-A103 HydrophobicContact CG-CB 4.35Å; P100-A103 HydrophobicContact CG-CB 3.93Å; P100-A103 PolarHBondContact O-N 2.83Å; A103-V105 VanDerWaalsContact C-N 3.29Å; A103-V105 PolarHBondContact O-N 3.02Å; A103-N106 PolarHBondContact O-N 2.83Å; A103-D107 WeakPolarHBondContact O-CB 3.23Å; A103-D107 PolarHBondContact O-N 3.2Å
104V91.4Very high90Very high0 Ų042.4 Ų42.40%025%0.247CC..Hα-helixtrans-56.7-43.2176.7177.50000111.9V94 K97 Q99 P100 T108V94-V104 HydrophobicContact CB-CG1 4.45Å; V94-V104 HydrophobicContact CG1-CG1 4.21Å; V94-V104 HydrophobicContact CG2-CG1 3.84Å; K97-V104 HydrophobicContact CB-CG2 4.1Å; Q99-V104 HydrophobicContact CB-CG2 3.52Å; P100-V104 PolarHBondContact O-N 3.42Å; P100-V104 VanDerWaalsContact O-N 3.15Å; V104-T108 VanDerWaalsContact O-CB 3.26Å; V104-T108 WeakPolarHBondContact O-CB 3.24Å; V104-T108 PolarHBondContact O-N 2.84Å; V104-T108 PolarHBondContact O-OG1 3.15Å
105V94Very high90.1Very high0 Ų043.1 Ų43.10%025%0.25CC..Hα-helixtrans-64.5-40.2177.2166.40000111.9L101 A103 H109 H215 L218 R219L101-V105 HydrophobicContact CD1-CG2 3.93Å; L101-V105 HydrophobicContact CG-CG2 4.35Å; L101-V105 WeakPolarHBondContact O-CB 3.14Å; L101-V105 VanDerWaalsContact O-CG2 3.23Å; L101-V105 WeakPolarHBondContact O-CG2 3.27Å; L101-V105 PolarHBondContact O-N 3.43Å; A103-V105 VanDerWaalsContact C-N 3.29Å; A103-V105 PolarHBondContact O-N 3.02Å; V105-H109 WeakPolarHBondContact O-CB 3.21Å; V105-H109 PolarHBondContact O-N 2.93Å; V105-H215 HydrophobicContact CG1-CB 3.94Å; V105-H215 WeakPolarHBondContact CG1-O 3.32Å; V105-L218 HydrophobicContact CG1-CB 4Å; V105-R219 HydrophobicContact CG2-CB 4Å
106N93.6Very high90.3Very high73 Ų7341 Ų4139%0.3924%0.24SC..Hα-helixtrans-68.4-46.8177.5-68-5.1000111.6N102 A103 T108 H109 S110 H215N102-N106 WeakPolarHBondContact O-CB 3.24Å; N102-N106 PolarHBondContact O-N 3.15Å; N102-N106 VanDerWaalsContact O-N 3.08Å; N102-N106 PolarHBondContact O-ND2 3.27Å; N102-N106 PolarHBondContact O-OD1 2.96Å; A103-N106 PolarHBondContact O-N 2.83Å; N106-T108 VanDerWaalsContact C-N 3.31Å; N106-T108 PolarHBondContact O-N 3.17Å; N106-H109 PolarHBondContact O-N 3.01Å; N106-S110 PolarHBondContact O-N 2.97Å; N106-S110 PolarHBondContact O-OG 3.28Å; N106-H215 PolarHBondContact OD1-CE1 2.89Å; N106-H215 PolarHBondContact OD1-ND1 3.45Å
107D92.6Very high90.7Very high57 Ų5739.9 Ų39.931%0.30523%0.227SC..Hα-helixtrans-61.7-40.2177.8-7312.6000111F93 Q99 A103 S110 M111F93-D107 HydrophobicContact CE1-CB 3.8Å; F93-D107 HydrophobicContact CZ-CB 3.98Å; Q99-D107 PolarHBondContact NE2-OD2 2.91Å; Q99-D107 PolarHBondContact OE1-OD2 2.79Å; A103-D107 WeakPolarHBondContact O-CB 3.23Å; A103-D107 PolarHBondContact O-N 3.2Å; D107-S110 PolarHBondContact O-N 3.06Å; D107-M111 WeakPolarHBondContact O-CB 3.31Å; D107-M111 PolarHBondContact O-N 3.47Å
108T93.4Very high90.9Very high0 Ų039.4 Ų39.40%023%0.231CC..Hα-helixtrans-64.3-44.4175.4-570000111.3I90 V104 N106 M111 L112 L218I90-T108 HydrophobicContact CB-CG2 4.35Å; I90-T108 HydrophobicContact CG1-CG2 3.89Å; I90-T108 HydrophobicContact CG2-CG2 3.96Å; V104-T108 VanDerWaalsContact O-CB 3.26Å; V104-T108 WeakPolarHBondContact O-CB 3.24Å; V104-T108 PolarHBondContact O-N 2.84Å; V104-T108 PolarHBondContact O-OG1 3.15Å; N106-T108 VanDerWaalsContact C-N 3.31Å; N106-T108 PolarHBondContact O-N 3.17Å; T108-M111 HydrophobicContact CG2-CE 4.16Å; T108-M111 PolarHBondContact O-N 3.04Å; T108-L112 HydrophobicContact CG2-CD1 4.46Å; T108-L112 WeakPolarHBondContact O-CG 3.34Å; T108-L112 PolarHBondContact O-N 2.95Å; T108-L218 HydrophobicContact CG2-CD1 4.43Å; T108-L218 HydrophobicContact CG2-CD2 3.98Å
109H94.6Very high90.9Very high53 Ų5336.7 Ų36.725%0.24522%0.219CC..Hα-helixtrans-62.1-44.1176.8-175.5-93.2000111.8V105 N106 L112 S113 P213 H215 L218V105-H109 WeakPolarHBondContact O-CB 3.21Å; V105-H109 PolarHBondContact O-N 2.93Å; N106-H109 PolarHBondContact O-N 3.01Å; H109-L112 PolarHBondContact O-N 3.34Å; H109-S113 PolarHBondContact O-N 3.27Å; H109-P213 PolarHBondContact CD2-O 3.25Å; H109-H215 AromaticContact CD2-CD2 3.95Å; H109-H215 AromaticContact CD2-NE2 3.89Å; H109-H215 AromaticContact CE1-NE2 3.85Å; H109-H215 AromaticContact CG-CE1 3.99Å; H109-H215 AromaticContact CG-NE2 3.55Å; H109-H215 AromaticContact ND1-NE2 3.53Å; H109-L218 HydrophobicContact CB-CD1 3.75Å
110S92.3Very high91.2Very high66 Ų6634.3 Ų34.346%0.46221%0.208SC..Hα-helixtrans-64.1-38.6174.7-63.70000112.6N106 D107 S113 V114N106-S110 PolarHBondContact O-N 2.97Å; N106-S110 PolarHBondContact O-OG 3.28Å; D107-S110 PolarHBondContact O-N 3.06Å; S110-S113 PolarHBondContact O-N 3.26Å; S110-S113 PolarHBondContact O-OG 3.22Å; S110-V114 WeakPolarHBondContact O-CG2 3.43Å; S110-V114 PolarHBondContact O-N 3.35Å
111M92.4Very high91.4Very high9 Ų932 Ų324%0.04419%0.192CC..Hα-helixtrans-62.7-45.4176.6176-78.7-66.700111.5F93 D107 T108 R115 F117 L174F93-M111 HydrophobicContact CB-CE 3.82Å; F93-M111 HydrophobicContact CD1-CE 4.23Å; F93-M111 HydrophobicContact CD2-CB 4.34Å; F93-M111 HydrophobicContact CD2-CE 4.49Å; F93-M111 HydrophobicContact CD2-CG 3.75Å; F93-M111 HydrophobicContact CE1-CB 4.29Å; F93-M111 HydrophobicContact CE2-CB 4.07Å; F93-M111 HydrophobicContact CE2-CG 3.85Å; F93-M111 HydrophobicContact CG-CE 3.94Å; F93-M111 HydrophobicContact CG-CG 4.1Å; F93-M111 HydrophobicContact CZ-CB 4.03Å; F93-M111 HydrophobicContact CZ-CG 4.31Å; D107-M111 WeakPolarHBondContact O-CB 3.31Å; D107-M111 PolarHBondContact O-N 3.47Å; T108-M111 HydrophobicContact CG2-CE 4.16Å; T108-M111 PolarHBondContact O-N 3.04Å; M111-R115 WeakPolarHBondContact O-CB 3.32Å; M111-R115 WeakPolarHBondContact O-CG 3.4Å; M111-F117 HydrophobicContact SD-CE1 4.29Å; M111-F117 HydrophobicContact SD-CE2 4.35Å; M111-F117 HydrophobicContact SD-CZ 3.52Å; M111-F117 VanDerWaalsContact SD-CZ 3.52Å; M111-L174 HydrophobicContact SD-CD2 4.3Å
112L92.3Very high91.6Very high1 Ų131 Ų311%0.00519%0.187CC..Hα-helixtrans-66.3-36.5176.6-65.9174.6000112.2F86 I90 T108 H109 V114 F117 R207 L212 P213 L218F86-L112 HydrophobicContact CB-CD2 4.48Å; F86-L112 HydrophobicContact CD1-CD2 3.96Å; F86-L112 HydrophobicContact CG-CD2 4.46Å; I90-L112 HydrophobicContact CD1-CD1 4.12Å; I90-L112 HydrophobicContact CG1-CD1 4.07Å; I90-L112 HydrophobicContact CG1-CD2 4.33Å; T108-L112 HydrophobicContact CG2-CD1 4.46Å; T108-L112 WeakPolarHBondContact O-CG 3.34Å; T108-L112 PolarHBondContact O-N 2.95Å; H109-L112 PolarHBondContact O-N 3.34Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 3.42Å; L112-F117 HydrophobicContact CD2-CD2 4.37Å; L112-F117 HydrophobicContact CD2-CE2 3.61Å; L112-F117 HydrophobicContact CD2-CZ 4.19Å; L112-R207 PolarHBondContact O-NH1 3.5Å; L112-R207 PolarHBondContact O-NH2 3.42Å; L112-L212 HydrophobicContact CB-CD2 3.9Å; L112-P213 HydrophobicContact CD1-CG 4.3Å; L112-L218 HydrophobicContact CD1-CD2 4.25Å
113S90.6Very high91.6Very high57 Ų5727.7 Ų27.740%0.39917%0.172SC..Hα-helixtrans-69.4-26-17571.50000114.3H109 S110H109-S113 PolarHBondContact O-N 3.27Å; S110-S113 PolarHBondContact O-N 3.26Å; S110-S113 PolarHBondContact O-OG 3.22Å
114V89.7Confident91.5Very high77 Ų7726.6 Ų26.647%0.46716%0.162SC..Hα-helixtrans-109.31.2-175.2-55.30000115.2S110 L112 P178S110-V114 WeakPolarHBondContact O-CG2 3.43Å; S110-V114 PolarHBondContact O-N 3.35Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 3.42Å; V114-P178 HydrophobicContact CB-CB 4.41Å; V114-P178 HydrophobicContact CB-CG 4.39Å; V114-P178 HydrophobicContact CG2-CB 4.1Å; V114-P178 HydrophobicContact CG2-CG 3.6Å
115R91.7Very high91.2Very high18 Ų1830 Ų307%0.06818%0.183CC..  trans-126.3163.3-179.9-65.4175.1179.4-97.1-6.4110.7M111 F117 L173 L174 V176 P178 I181 R207M111-R115 WeakPolarHBondContact O-CB 3.32Å; M111-R115 WeakPolarHBondContact O-CG 3.4Å; R115-F117 HydrophobicContact CB-CE1 4.18Å; R115-F117 HydrophobicContact CB-CE2 4.11Å; R115-F117 HydrophobicContact CB-CZ 3.6Å; R115-F117 HydrophobicContact CG-CZ 4.49Å; R115-L173 PolarHBondContact NH1-O 3.04Å; R115-L174 PolarHBondContact NH2-O 3.1Å; R115-V176 PolarHBondContact NH2-O 3.05Å; R115-P178 HydrophobicContact CG-CG 4.39Å; R115-I181 VanDerWaalsContact NH1-CD1 3.28Å; R115-R207 PolarHBondContact O-NH1 2.78Å; R115-R207 PolarHBondContact O-NH2 3Å
116F91.9Very high90Very high21 Ų2133.4 Ų33.49%0.09220%0.199CC..  trans-125.4159.1166.9-52.2-96.5000109.8E120 V122 I136 Y183 I205 R207F116-E120 WeakPolarHBondContact CA-OE2 3.2Å; F116-V122 HydrophobicContact CD1-CG1 3.87Å; F116-V122 HydrophobicContact CE1-CG1 4.28Å; F116-I136 HydrophobicContact CB-CD1 3.21Å; F116-I136 HydrophobicContact CG-CD1 4.07Å; F116-Y183 HydrophobicContact CB-CD1 4.49Å; F116-Y183 HydrophobicContact CB-CE1 3.94Å; F116-Y183 HydrophobicContact CD2-CE1 4.45Å; F116-Y183 AromaticContact CD2-CE2 3.99Å; F116-Y183 HydrophobicContact CD2-CE2 3.99Å; F116-Y183 AromaticContact CD2-CZ 3.86Å; F116-Y183 PolarHBondContact N-OH 2.76Å; F116-Y183 WeakPolarHBondContact O-CE1 3.37Å; F116-I205 HydrophobicContact CD1-CG2 3.98Å; F116-I205 HydrophobicContact CD2-CB 4.44Å; F116-I205 HydrophobicContact CD2-CG2 4.12Å; F116-I205 HydrophobicContact CE1-CB 4.4Å; F116-I205 HydrophobicContact CE1-CG2 3.68Å; F116-I205 HydrophobicContact CE2-CB 3.87Å; F116-I205 HydrophobicContact CE2-CG2 3.86Å; F116-I205 HydrophobicContact CG-CG2 4.19Å; F116-I205 HydrophobicContact CZ-CB 3.84Å; F116-I205 HydrophobicContact CZ-CG2 3.63Å; F116-I205 WeakPolarHBondContact CZ-O 3.36Å; F116-R207 HydrophobicContact CD1-CG 3.97Å; F116-R207 HydrophobicContact CE1-CG 3.66Å
117F91.6Very high88.6Confident1 Ų138 Ų380%0.00422%0.215CC..  trans-128.5156.9-170.5-59.3-71.5000113.6F86 P89 M111 L112 R115 E120 I136 L172F86-F117 HydrophobicContact CD1-CD2 4.19Å; F86-F117 HydrophobicContact CE1-CD2 4.36Å; P89-F117 HydrophobicContact CB-CD1 3.77Å; P89-F117 HydrophobicContact CB-CD2 4.33Å; P89-F117 HydrophobicContact CB-CE1 3.71Å; P89-F117 HydrophobicContact CB-CE2 4.29Å; P89-F117 HydrophobicContact CB-CG 4.09Å; P89-F117 HydrophobicContact CB-CZ 3.99Å; P89-F117 HydrophobicContact CG-CB 4.01Å; P89-F117 HydrophobicContact CG-CD1 3.48Å; P89-F117 VanDerWaalsContact CG-CD1 3.48Å; P89-F117 HydrophobicContact CG-CD2 4.11Å; P89-F117 HydrophobicContact CG-CE1 3.98Å; P89-F117 HydrophobicContact CG-CG 3.55Å; P89-F117 HydrophobicContact CG-CZ 4.5Å; M111-F117 HydrophobicContact SD-CE1 4.29Å; M111-F117 HydrophobicContact SD-CE2 4.35Å; M111-F117 HydrophobicContact SD-CZ 3.52Å; M111-F117 VanDerWaalsContact SD-CZ 3.52Å; L112-F117 HydrophobicContact CD2-CD2 4.37Å; L112-F117 HydrophobicContact CD2-CE2 3.61Å; L112-F117 HydrophobicContact CD2-CZ 4.19Å; R115-F117 HydrophobicContact CB-CE1 4.18Å; R115-F117 HydrophobicContact CB-CE2 4.11Å; R115-F117 HydrophobicContact CB-CZ 3.6Å; R115-F117 HydrophobicContact CG-CZ 4.49Å; F117-E120 PolarHBondContact N-OE2 2.73Å; F117-E120 VanDerWaalsContact N-OE2 3.14Å; F117-E120 WeakPolarHBondContact O-CB 3.16Å; F117-E120 PolarHBondContact O-N 2.67Å; F117-I136 WeakPolarHBondContact O-CB 3.26Å; F117-L172 HydrophobicContact CD1-CD2 4.17Å
118P88.4Confident87Confident51 Ų5144.6 Ų44.633%0.33125%0.245SC..THydrogen-bonded Turntrans-58.2141.3176.8-23.135.3000112.2E120 I136 L139 L172P118-E120 PolarHBondContact O-N 3.11Å; P118-I136 CarbonylContact C-O 3.5Å; P118-I136 VanDerWaalsContact CA-O 3.29Å; P118-I136 WeakPolarHBondContact CA-O 3.18Å; P118-L139 HydrophobicContact CG-CD1 3.72Å; P118-L172 HydrophobicContact CG-CD2 4.31Å
119G87Confident85.3Confident25 Ų2555.6 Ų55.626%0.25829%0.286SS..THydrogen-bonded Turntrans78.5-4-172.300000114.7I136 Y210G119-I136 PolarHBondContact N-O 3.04Å; G119-Y210 PolarHBondContact O-OH 2.98Å
120E91.5Very high84.1Confident0 Ų056 Ų560%030%0.295CS..  trans-77.8123.7174.8-170.3165.9-158.900111.1F116 F117 P118 V122 I136 R207 Y210F116-E120 WeakPolarHBondContact CA-OE2 3.2Å; F117-E120 PolarHBondContact N-OE2 2.73Å; F117-E120 VanDerWaalsContact N-OE2 3.14Å; F117-E120 WeakPolarHBondContact O-CB 3.16Å; F117-E120 PolarHBondContact O-N 2.67Å; P118-E120 PolarHBondContact O-N 3.11Å; E120-V122 HydrophobicContact CG-CG1 4.22Å; E120-I136 PolarHBondContact O-N 2.93Å; E120-I136 VanDerWaalsContact O-N 3.09Å; E120-R207 WeakPolarHBondContact OE1-CD 3.32Å; E120-R207 IonicContact OE1-CZ 3.13Å; E120-R207 VanDerWaalsContact OE1-CZ 3.32Å; E120-R207 IonicContact OE1-NE 2.86Å; E120-R207 PolarHBondContact OE1-NE 3.06Å; E120-R207 IonicContact OE1-NH2 3.24Å; E120-R207 PolarHBondContact OE1-NH2 3.5Å; E120-R207 VanDerWaalsContact OE1-NH2 3.12Å; E120-R207 IonicContact OE2-CZ 2.78Å; E120-R207 IonicContact OE2-NE 3.97Å; E120-R207 IonicContact OE2-NH2 2.96Å; E120-R207 PolarHBondContact OE2-NH2 3.49Å; E120-Y210 HydrophobicContact CG-CD2 3.83Å; E120-Y210 HydrophobicContact CG-CE2 4.01Å; E120-Y210 HydrophobicContact CG-CG 4.44Å
121T91.5Very high83.5Confident28 Ų2857 Ų5717%0.17230%0.301CS..EExtended strand (participates in β ladder)trans-72.2125.3171.1-51.20000111.2I133 G134 F188 V208 Y210T121-I133 HydrophobicContact CG2-CG2 3.82Å; T121-G134 CarbonylContact C-O 3.5Å; T121-G134 WeakPolarHBondContact CA-O 3.19Å; T121-F188 HydrophobicContact CG2-CE2 4.06Å; T121-V208 HydrophobicContact CG2-CB 4.3Å; T121-V208 HydrophobicContact CG2-CG1 4.46Å; T121-V208 PolarHBondContact O-N 3.4Å; T121-V208 VanDerWaalsContact O-N 3.1Å; T121-Y210 VanDerWaalsContact N-CE2 3.34Å
122V92.1Very high83.1Confident0 Ų061.1 Ų61.10%032%0.317CS..EExtended strand (participates in β ladder)trans-135.6146.4-176.5-65.20000112F116 E120 I133 G134 I136 I185 I205 R206F116-V122 HydrophobicContact CD1-CG1 3.87Å; F116-V122 HydrophobicContact CE1-CG1 4.28Å; E120-V122 HydrophobicContact CG-CG1 4.22Å; V122-I133 WeakPolarHBondContact O-CA 3.5Å; V122-G134 PolarHBondContact N-O 3.46Å; V122-G134 PolarHBondContact O-N 3.15Å; V122-I136 HydrophobicContact CG1-CD1 3.89Å; V122-I136 HydrophobicContact CG1-CG1 4.27Å; V122-I136 HydrophobicContact CG2-CD1 4.23Å; V122-I136 HydrophobicContact CG2-CG1 3.83Å; V122-I185 HydrophobicContact CG2-CD1 4.03Å; V122-I185 HydrophobicContact CG2-CG2 4.26Å; V122-I205 HydrophobicContact CB-CG2 3.61Å; V122-I205 HydrophobicContact CG1-CG2 3.72Å; V122-I205 HydrophobicContact CG2-CG2 3.85Å; V122-R206 CarbonylContact C-O 3.58Å; V122-R206 VanDerWaalsContact CA-O 3.24Å; V122-R206 WeakPolarHBondContact CA-O 3.48Å; V122-R206 WeakPolarHBondContact CB-O 3.26Å
123A90.2Very high82.9Confident18 Ų1865.2 Ų65.215%0.14934%0.338CS..EExtended strand (participates in β ladder)trans-89.9138.6162.300000108.7W132 I205 R206 V208A123-W132 CarbonylContact C-O 3.32Å; A123-W132 WeakPolarHBondContact CA-O 3.19Å; A123-I205 CarbonylContact O-C 3.43Å; A123-I205 WeakPolarHBondContact O-CA 3.38Å; A123-R206 PolarHBondContact N-O 3.49Å; A123-R206 PolarHBondContact O-N 3.2Å; A123-V208 HydrophobicContact CB-CG2 3.62Å
124F89.2Confident82.8Confident4 Ų462.5 Ų62.52%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-142.8153.1177.769.7-82.7000112.7S131 W132 I185 I187 I197 V200 A204 I205F124-S131 WeakPolarHBondContact O-CA 3.44Å; F124-W132 HydrophobicContact CD1-CB 4.25Å; F124-W132 HydrophobicContact CE1-CB 3.61Å; F124-W132 HydrophobicContact CE2-CB 4.03Å; F124-W132 HydrophobicContact CE2-CG 4.37Å; F124-W132 HydrophobicContact CZ-CB 3.48Å; F124-W132 VanDerWaalsContact CZ-CB 3.48Å; F124-W132 HydrophobicContact CZ-CG 4.1Å; F124-W132 PolarHBondContact N-O 3.24Å; F124-W132 PolarHBondContact O-N 2.98Å; F124-I185 HydrophobicContact CB-CD1 3.96Å; F124-I185 HydrophobicContact CD1-CB 4.46Å; F124-I185 HydrophobicContact CD1-CD1 3.76Å; F124-I185 HydrophobicContact CD1-CG2 3.78Å; F124-I185 HydrophobicContact CD2-CD1 4.35Å; F124-I185 HydrophobicContact CE1-CB 4.27Å; F124-I185 HydrophobicContact CE1-CD1 4.38Å; F124-I185 HydrophobicContact CE1-CG2 3.54Å; F124-I185 HydrophobicContact CG-CD1 3.74Å; F124-I185 HydrophobicContact CZ-CG2 4.31Å; F124-I187 HydrophobicContact CZ-CG1 4.24Å; F124-I197 HydrophobicContact CE2-CD1 3.65Å; F124-I197 HydrophobicContact CZ-CD1 3.84Å; F124-V200 HydrophobicContact CB-CG1 4.5Å; F124-A204 CarbonylContact C-O 3.44Å; F124-A204 WeakPolarHBondContact CA-O 3.41Å; F124-A204 WeakPolarHBondContact CB-O 3.18Å; F124-I205 HydrophobicContact CB-CG1 4.24Å
125T83.7Confident82.8Confident71 Ų7161.3 Ų61.344%0.43631%0.308SS..EExtended strand (participates in β ladder)trans-108.2122.7179.148.30000111.7S130 A204T125-S130 WeakPolarHBondContact CA-O 3.17Å; T125-A204 PolarHBondContact N-O 3.04Å
126E69.9Low82.8Confident72 Ų7260.4 Ų60.434%0.33631%0.305SS..EExtended strand (participates in β ladder)trans-93.7126.4170.3-169.4-176.9177.700110.1E128 R129 S130E126-E128 PolarHBondContact O-N 3.41Å; E126-R129 PolarHBondContact O-N 2.73Å; E126-S130 PolarHBondContact N-O 3.05Å
127K64.7Low82.5Confident169 Ų16961.9 Ų61.974%0.73532%0.315SS*.THydrogen-bonded Turntrans43.742.8168.3-63.4167.1-174.21380114.1R129K127-R129 PolarHBondContact O-N 2.91Å; K127-R129 VanDerWaalsContact O-N 3.13Å
128E57.6Low82.3Confident196 Ų19662.5 Ų62.592%0.91632%0.322SS*.THydrogen-bonded Turntrans61.213.3173.5-54-173153.900117.1E126E126-E128 PolarHBondContact O-N 3.41Å
129R58.7Low82.3Confident231 Ų23161.1 Ų61.187%0.87231%0.312SS*.THydrogen-bonded Turntrans-122.8-23-172.8-68.3-176-177.2-168.6-0.4117.3E126 K127E126-R129 PolarHBondContact O-N 2.73Å; K127-R129 PolarHBondContact O-N 2.91Å; K127-R129 VanDerWaalsContact O-N 3.13Å
130S68.4Low82.2Confident61 Ų6162.6 Ų62.643%0.42731%0.314SS..EExtended strand (participates in β ladder)trans-144.4141177.7-57.20000112T125 E126T125-S130 WeakPolarHBondContact CA-O 3.17Å; E126-S130 PolarHBondContact N-O 3.05Å
131S80.1Confident81.9Confident86 Ų8669.2 Ų69.260%0.60134%0.343SS*.EExtended strand (participates in β ladder)trans-100.9123.4172.4-177.50000109.6F124F124-S131 WeakPolarHBondContact O-CA 3.44Å
132W84.2Confident81.1Confident96 Ų9673.5 Ų73.536%0.36436%0.356SS..EExtended strand (participates in β ladder)trans-115158.4-178.3-60.296.5000110.7A123 F124 I187A123-W132 CarbonylContact C-O 3.32Å; A123-W132 WeakPolarHBondContact CA-O 3.19Å; F124-W132 HydrophobicContact CD1-CB 4.25Å; F124-W132 HydrophobicContact CE1-CB 3.61Å; F124-W132 HydrophobicContact CE2-CB 4.03Å; F124-W132 HydrophobicContact CE2-CG 4.37Å; F124-W132 HydrophobicContact CZ-CB 3.48Å; F124-W132 VanDerWaalsContact CZ-CB 3.48Å; F124-W132 HydrophobicContact CZ-CG 4.1Å; F124-W132 PolarHBondContact N-O 3.24Å; F124-W132 PolarHBondContact O-N 2.98Å; W132-I187 HydrophobicContact CB-CG2 4.49Å; W132-I187 HydrophobicContact CE3-CG2 4Å
133I87.4Confident79.3Confident88 Ų8881 Ų8145%0.45140%0.396SS..EExtended strand (participates in β ladder)trans-113.3136.6171.4-52.5179.2000108.5T121 V122 F188T121-I133 HydrophobicContact CG2-CG2 3.82Å; V122-I133 WeakPolarHBondContact O-CA 3.5Å; I133-F188 HydrophobicContact CG2-CD2 4.2Å; I133-F188 PolarHBondContact O-N 3.42Å
134G88.4Confident77.1Confident0 Ų091 Ų910%043%0.43CS..EExtended strand (participates in β ladder)trans-159.1-178.8-179.800000113.7T121 V122 R186T121-G134 CarbonylContact C-O 3.5Å; T121-G134 WeakPolarHBondContact CA-O 3.19Å; V122-G134 PolarHBondContact N-O 3.46Å; V122-G134 PolarHBondContact O-N 3.15Å; G134-R186 CarbonylContact C-O 3.51Å; G134-R186 WeakPolarHBondContact CA-O 3.41Å
135E91.2Very high74.4Confident51 Ų5197 Ų9724%0.23847%0.467CS..EExtended strand (participates in β ladder)trans-112.4133.5-179.8-173.9-162.5156.400109.6T137 I185 R186 F188E135-T137 PolarHBondContact O-N 3.04Å; E135-I185 CarbonylContact O-C 3.54Å; E135-I185 WeakPolarHBondContact O-CA 3.43Å; E135-R186 PolarHBondContact N-O 3.38Å; E135-R186 PolarHBondContact O-N 2.92Å; E135-R186 IonicContact OE1-NH1 3.41Å; E135-R186 PolarHBondContact OE1-NH1 2.88Å; E135-R186 IonicContact OE2-CZ 2.68Å; E135-R186 IonicContact OE2-NH1 3.12Å; E135-R186 PolarHBondContact OE2-NH1 2.97Å; E135-F188 HydrophobicContact CB-CE1 4.4Å; E135-F188 HydrophobicContact CB-CE2 4.19Å; E135-F188 HydrophobicContact CB-CZ 3.73Å
136I90.9Very high71.8Confident0 Ų0100.1 Ų100.10%049%0.488CS..EExtended strand (participates in β ladder)trans-71.3125.3173.8-63.5177000109.7F116 F117 P118 G119 E120 V122 Y183 N184 I185F116-I136 HydrophobicContact CB-CD1 3.21Å; F116-I136 HydrophobicContact CG-CD1 4.07Å; F117-I136 WeakPolarHBondContact O-CB 3.26Å; P118-I136 CarbonylContact C-O 3.5Å; P118-I136 VanDerWaalsContact CA-O 3.29Å; P118-I136 WeakPolarHBondContact CA-O 3.18Å; G119-I136 PolarHBondContact N-O 3.04Å; E120-I136 PolarHBondContact O-N 2.93Å; E120-I136 VanDerWaalsContact O-N 3.09Å; V122-I136 HydrophobicContact CG1-CD1 3.89Å; V122-I136 HydrophobicContact CG1-CG1 4.27Å; V122-I136 HydrophobicContact CG2-CD1 4.23Å; V122-I136 HydrophobicContact CG2-CG1 3.83Å; I136-Y183 HydrophobicContact CD1-CD1 4.14Å; I136-Y183 HydrophobicContact CG2-CD1 4.12Å; I136-N184 WeakPolarHBondContact CA-O 3.49Å; I136-I185 HydrophobicContact CG1-CG1 4.39Å
137T86.6Confident69.9Low51 Ų51101.6 Ų101.631%0.31351%0.506SS..EExtended strand (participates in β ladder)trans-107.6-19.7-178.755.10000113.8E135 N184 R186E135-T137 PolarHBondContact O-N 3.04Å; T137-N184 PolarHBondContact N-O 2.94Å; T137-N184 PolarHBondContact OG1-O 2.97Å; T137-R186 HydrophobicContact CG2-CB 3.68Å
138G85.8Confident68.3Low15 Ų1599.7 Ų99.716%0.15551%0.509CS..EExtended strand (participates in β ladder)trans-176.2167.9-179.400000114N184G138-N184 PolarHBondContact O-N 3.02Å
139L89.5Confident67.1Low22 Ų2296 Ų9612%0.11551%0.505CS..EExtended strand (participates in β ladder)trans-124.6133.1-175.9-67.776.2000110.3P118 L173 I181 Y183P118-L139 HydrophobicContact CG-CD1 3.72Å; L139-L173 HydrophobicContact CB-CD1 3.78Å; L139-L173 HydrophobicContact CB-CG 4.23Å; L139-L173 HydrophobicContact CD2-CB 4.46Å; L139-I181 HydrophobicContact CB-CG2 4.19Å; L139-I181 HydrophobicContact CD2-CG2 3.92Å; L139-I181 HydrophobicContact CG-CG2 4.17Å; L139-Y183 HydrophobicContact CD2-CE1 4.08Å; L139-Y183 HydrophobicContact CG-CD1 4.03Å; L139-Y183 HydrophobicContact CG-CE1 3.98Å
140N85.4Confident65.9Low56 Ų5690.5 Ų90.530%0.29950%0.5SS..EExtended strand (participates in β ladder)trans-117.6155.7176.7-69.1-16.1000110.7L182 N184 N199N140-L182 HydrophobicContact CB-CB 4.28Å; N140-L182 PolarHBondContact N-O 2.63Å; N140-L182 PolarHBondContact O-N 3.33Å; N140-N184 PolarHBondContact ND2-OD1 3.33Å; N140-N199 PolarHBondContact ND2-OD1 3.23Å
141K84.2Confident64Low138 Ų13893.2 Ų93.260%0.651%0.513SS*.EExtended strand (participates in β ladder)trans-95.3136.6174.6-174.1178.2178.4-178.90110.7N143 V176K141-N143 PolarHBondContact O-N 3.29Å; K141-N143 VanDerWaalsContact O-N 3.15Å; K141-V176 HydrophobicContact CG-CG1 4.48Å
142R75.8Confident61.5Low118 Ų11896.9 Ų96.945%0.44553%0.525SS..  trans-62.8111.8169.9-110.9178.2178.91371.1110.5R144 K179 S180 L182R142-R144 PolarHBondContact O-N 3.3Å; R142-K179 PolarHBondContact NH1-O 3.46Å; R142-S180 PolarHBondContact N-O 2.83Å; R142-L182 HydrophobicContact CG-CD1 3.86Å; R142-L182 HydrophobicContact CG-CD2 4.01Å; R142-L182 HydrophobicContact CG-CG 3.98Å
143N53.4Low58.8Low159 Ų15996.8 Ų96.885%0.8554%0.539SS*.PPolyproline II helixtrans-69.1122.8167.6-72.6-16.8000109.6K141K141-N143 PolarHBondContact O-N 3.29Å; K141-N143 VanDerWaalsContact O-N 3.15Å
144R44Very low55.8Low228 Ų228100 Ų10086%0.8656%0.558SS**PPolyproline II helixtrans-94.3131.5169.3-74.9-173.1174.8-172.9-1.7109.4R142R142-R144 PolarHBondContact O-N 3.3Å
145T32.4Very low52.8Low129 Ų129106.5 Ų106.579%0.79160%0.601SS**PPolyproline II helixtrans-63.2141.4164.238.80000110S147T145-S147 PolarHBondContact O-N 2.99Å
146P29.3Very low49.7Very low136 Ų136109.9 Ų109.988%0.88363%0.63SS**  trans-85.1105.9-175.131.6-33.2000112
147S29.4Very low46.6Very low103 Ų103119.1 Ų119.172%0.7267%0.671SS**  trans-108103.1168.160.60000111.4T145T145-S147 PolarHBondContact O-N 2.99Å
148T32Very low43.8Very low130 Ų130128 Ų12880%0.79870%0.7SS**  trans36127148.842.20000122.4
149S31.7Very low41.1Very low117 Ų117133.6 Ų133.682%0.81873%0.726SS**  trans88146.7147.183.90000117.4
150P34.5Very low38.3Very low117 Ų117141.4 Ų141.476%0.7676%0.762SS**  -132.4-161.4-128.136.5-15.6000115
151V27.9Very low35.7Very low117 Ų117144.9 Ų144.971%0.70979%0.786SS**  trans112.6117.6157-177.10000116.1
152L27.5Very low33.4Very low163 Ų163142.3 Ų142.385%0.85378%0.779SS**  trans64.9140.5165-64.9164.2000117.7
153S28Very low31.6Very low95 Ų95144.7 Ų144.766%0.66480%0.795SS**  cis-159.3158.7-352.60000112
154N25.1Very low30.7Very low156 Ų156146.5 Ų146.583%0.83480%0.795SS**  trans34.398.1156-62.9-5.1000120.5
155C25.5Very low30.3Very low136 Ų136138.7 Ų138.792%0.91977%0.768SS**  176.8102.3121.1-105.40000111.3
156S25.1Very low30.8Very low121 Ų121137.4 Ų137.485%0.84675%0.749SS**  trans-151.876.2173.764.10000112
157K26.4Very low32Very low195 Ų195134.2 Ų134.285%0.84873%0.729SS**  trans-15685.1164.3-82.5-162.6177.8-175.70109.3
158Y28.2Very low33.3Very low238 Ų238131 Ų13193%0.93371%0.705SS**  trans-151.6140.7155.4-82.1-64.1000108.2
159D28.8Very low34.5Very low131 Ų131127.5 Ų127.570%0.70168%0.679SS**  trans-75.5162.8-159.2-80-65.1000116.1T161D159-T161 PolarHBondContact O-N 2.68Å
160E30.2Very low35.8Very low186 Ų186125.9 Ų125.987%0.86966%0.662SS**THydrogen-bonded Turntrans-71.813.2176.8-65.1-177.4117.200114
161T31.5Very low37.4Very low130 Ų130123.9 Ų123.980%0.79865%0.65SS**THydrogen-bonded Turntrans-87.3-9.5-178.749.10000114.8D159 Q163D159-T161 PolarHBondContact O-N 2.68Å; T161-Q163 VanDerWaalsContact C-N 3.33Å; T161-Q163 PolarHBondContact O-N 2.74Å
162D35.4Very low39.8Very low84 Ų84118.8 Ų118.845%0.44962%0.619SS.*  trans-84.19.6-165.7-148.229.8000115.1K164 R166D162-K164 PolarHBondContact O-N 2.68Å; D162-R166 IonicContact OD2-CZ 2.73Å; D162-R166 IonicContact OD2-NE 2.72Å; D162-R166 IonicContact OD2-NH2 2.7Å; D162-R166 PolarHBondContact OD2-NH2 2.71Å
163Q36.6Very low42.4Very low167 Ų167112.7 Ų112.778%0.7859%0.587SS**THydrogen-bonded Turntrans-77-12.8-163.4-71.8-171.76.900116.4T161T161-Q163 VanDerWaalsContact C-N 3.33Å; T161-Q163 PolarHBondContact O-N 2.74Å
164K35.3Very low45Very low197 Ų197108.9 Ų108.986%0.85756%0.559SS**THydrogen-bonded Turntrans-88.5-22.7177.6-74-177.8176.9177.20114.4D162 R166D162-K164 PolarHBondContact O-N 2.68Å; K164-R166 PolarHBondContact O-N 3.34Å
165H36.3Very low47.6Very low65 Ų65107.3 Ų107.330%0.30155%0.551SS.*THydrogen-bonded Turntrans-83.96.5-165-96.1-86.6000117.6E253H165-E253 IonicContact CE1-OE1 2.78Å; H165-E253 IonicContact CE1-OE2 2.68Å; H165-E253 VanDerWaalsContact NE2-CD 3.31Å; H165-E253 IonicContact NE2-OE1 3.9Å; H165-E253 PolarHBondContact NE2-OE1 3.44Å; H165-E253 IonicContact NE2-OE2 3.86Å; H165-E253 PolarHBondContact NE2-OE2 3.12Å
166R42.9Very low50.3Low102 Ų102101.9 Ų101.939%0.38551%0.513SS..THydrogen-bonded Turntrans-140.128.9-167.4-61.7-170.4-165.1-173.49.1115.9D162 K164 V168 F169 N170D162-R166 IonicContact OD2-CZ 2.73Å; D162-R166 IonicContact OD2-NE 2.72Å; D162-R166 IonicContact OD2-NH2 2.7Å; D162-R166 PolarHBondContact OD2-NH2 2.71Å; K164-R166 PolarHBondContact O-N 3.34Å; R166-V168 PolarHBondContact O-N 2.75Å; R166-F169 PolarHBondContact O-N 3.12Å; R166-N170 HydrophobicContact CB-CB 4.31Å; R166-N170 VanDerWaalsContact CB-CG 3.45Å; R166-N170 WeakPolarHBondContact CB-ND2 3.3Å; R166-N170 WeakPolarHBondContact CB-OD1 3.4Å; R166-N170 VanDerWaalsContact CD-OD1 3.31Å; R166-N170 WeakPolarHBondContact CD-OD1 3.48Å; R166-N170 VanDerWaalsContact O-CB 3.25Å; R166-N170 WeakPolarHBondContact O-CB 3.5Å; R166-N170 PolarHBondContact O-N 3.3Å
167S55.1Low53.1Low68 Ų68102.9 Ų102.948%0.47650%0.504SS..Hα-helixtrans-48-52.5-174.7650000112.9S171S167-S171 VanDerWaalsContact O-CB 3.24Å; S167-S171 WeakPolarHBondContact O-CB 3.22Å; S167-S171 PolarHBondContact O-N 2.99Å; S167-S171 PolarHBondContact O-OG 3.02Å
168V56.2Low55.8Low35 Ų3594.9 Ų94.921%0.21247%0.472CS..Hα-helixtrans-80.3-43.1179.2176.30000112.6R166 N170 S171 L172 L248R166-V168 PolarHBondContact O-N 2.75Å; V168-N170 PolarHBondContact O-N 3.13Å; V168-S171 PolarHBondContact O-N 3.2Å; V168-S171 VanDerWaalsContact O-N 3.15Å; V168-L172 HydrophobicContact CG1-CD1 3.77Å; V168-L172 HydrophobicContact CG1-CG 4.09Å; V168-L172 WeakPolarHBondContact O-CG 3.46Å; V168-L172 PolarHBondContact O-N 2.9Å; V168-L248 HydrophobicContact CG1-CD2 4.45Å; V168-L248 WeakPolarHBondContact CG2-O 3.34Å
169F57.2Low58.4Low58 Ų5892.1 Ų92.125%0.25447%0.465SS..Hα-helixtrans-63.6-40.1-176.9-163.7-87.8000112.7A92 R166 L173 L174A92-F169 HydrophobicContact CB-CD2 4.48Å; R166-F169 PolarHBondContact O-N 3.12Å; F169-L173 PolarHBondContact O-N 3.32Å; F169-L174 HydrophobicContact CD2-CD1 4.06Å; F169-L174 HydrophobicContact CE1-CB 4.47Å; F169-L174 HydrophobicContact CE2-CB 4.28Å; F169-L174 HydrophobicContact CE2-CD1 3.86Å; F169-L174 HydrophobicContact CZ-CB 4.08Å; F169-L174 HydrophobicContact CZ-CD1 4.49Å
170N58.9Low61.2Low83 Ų8387.3 Ų87.344%0.44444%0.442SS..Hα-helixtrans-68.8-41.8172.3-71.3-9.6000111.3R166 V168 L172 L173R166-N170 HydrophobicContact CB-CB 4.31Å; R166-N170 VanDerWaalsContact CB-CG 3.45Å; R166-N170 WeakPolarHBondContact CB-ND2 3.3Å; R166-N170 WeakPolarHBondContact CB-OD1 3.4Å; R166-N170 VanDerWaalsContact CD-OD1 3.31Å; R166-N170 WeakPolarHBondContact CD-OD1 3.48Å; R166-N170 VanDerWaalsContact O-CB 3.25Å; R166-N170 WeakPolarHBondContact O-CB 3.5Å; R166-N170 PolarHBondContact O-N 3.3Å; V168-N170 PolarHBondContact O-N 3.13Å; N170-L172 VanDerWaalsContact C-N 3.26Å; N170-L172 PolarHBondContact O-N 3.19Å; N170-L173 VanDerWaalsContact O-CD2 3.32Å; N170-L173 WeakPolarHBondContact O-CD2 3.45Å; N170-L173 PolarHBondContact O-N 3.41Å; N170-L173 VanDerWaalsContact O-N 3.14Å
171S67.7Low63.9Low74 Ų7478.5 Ų78.552%0.51740%0.401SS..Hα-helixtrans-61.7-31.1178.7-660000113.8S167 V168S167-S171 VanDerWaalsContact O-CB 3.24Å; S167-S171 WeakPolarHBondContact O-CB 3.22Å; S167-S171 PolarHBondContact O-N 2.99Å; S167-S171 PolarHBondContact O-OG 3.02Å; V168-S171 PolarHBondContact O-N 3.2Å; V168-S171 VanDerWaalsContact O-N 3.15Å
172L79.1Confident66.7Low10 Ų1073.3 Ų73.35%0.05237%0.368CS..THydrogen-bonded Turntrans-87.3-5.1178.7-63-177.3000114.1P89 A92 F117 P118 V168 N170 L174P89-L172 HydrophobicContact CB-CD1 4.27Å; P89-L172 HydrophobicContact CG-CD1 4.12Å; P89-L172 HydrophobicContact CG-CD2 4.48Å; A92-L172 HydrophobicContact CB-CD1 4.36Å; F117-L172 HydrophobicContact CD1-CD2 4.17Å; P118-L172 HydrophobicContact CG-CD2 4.31Å; V168-L172 HydrophobicContact CG1-CD1 3.77Å; V168-L172 HydrophobicContact CG1-CG 4.09Å; V168-L172 WeakPolarHBondContact O-CG 3.46Å; V168-L172 PolarHBondContact O-N 2.9Å; N170-L172 VanDerWaalsContact C-N 3.26Å; N170-L172 PolarHBondContact O-N 3.19Å; L172-L174 HydrophobicContact CB-CD2 4.33Å; L172-L174 HydrophobicContact CB-CG 3.97Å; L172-L174 PolarHBondContact O-N 3.01Å; L172-L174 VanDerWaalsContact O-N 3.1Å
173L81.8Confident69.4Low35 Ų3569.3 Ų69.318%0.18335%0.347CS..THydrogen-bonded Turntrans46.239.8179.3-62.5-178.8000113.9R115 L139 F169 N170 D175 V176 I181R115-L173 PolarHBondContact NH1-O 3.04Å; L139-L173 HydrophobicContact CB-CD1 3.78Å; L139-L173 HydrophobicContact CB-CG 4.23Å; L139-L173 HydrophobicContact CD2-CB 4.46Å; F169-L173 PolarHBondContact O-N 3.32Å; N170-L173 VanDerWaalsContact O-CD2 3.32Å; N170-L173 WeakPolarHBondContact O-CD2 3.45Å; N170-L173 PolarHBondContact O-N 3.41Å; N170-L173 VanDerWaalsContact O-N 3.14Å; L173-D175 PolarHBondContact O-N 3.12Å; L173-V176 HydrophobicContact CB-CB 4.09Å; L173-V176 HydrophobicContact CB-CG2 3.91Å; L173-V176 HydrophobicContact CD2-CG2 4.04Å; L173-V176 HydrophobicContact CG-CG2 4.41Å; L173-V176 WeakPolarHBondContact O-CB 3.11Å; L173-V176 PolarHBondContact O-N 3.44Å; L173-I181 HydrophobicContact CB-CD1 4.45Å; L173-I181 HydrophobicContact CD1-CG2 4.48Å
174L81.9Confident71.9Confident15 Ų1562.4 Ų62.48%0.07932%0.315CS..THydrogen-bonded Turntrans-62-27.3-172.8-68.4178.8000113.5A92 F93 M111 R115 F169 L172A92-L174 HydrophobicContact CB-CD1 4.02Å; F93-L174 HydrophobicContact CB-CD1 4.23Å; M111-L174 HydrophobicContact SD-CD2 4.3Å; R115-L174 PolarHBondContact NH2-O 3.1Å; F169-L174 HydrophobicContact CD2-CD1 4.06Å; F169-L174 HydrophobicContact CE1-CB 4.47Å; F169-L174 HydrophobicContact CE2-CB 4.28Å; F169-L174 HydrophobicContact CE2-CD1 3.86Å; F169-L174 HydrophobicContact CZ-CB 4.08Å; F169-L174 HydrophobicContact CZ-CD1 4.49Å; L172-L174 HydrophobicContact CB-CD2 4.33Å; L172-L174 HydrophobicContact CB-CG 3.97Å; L172-L174 PolarHBondContact O-N 3.01Å; L172-L174 VanDerWaalsContact O-N 3.1Å
175D78.7Confident74.5Confident123 Ų12353 Ų5366%0.65828%0.275SS*.THydrogen-bonded Turntrans-80.7-13.2175.5-63.3-20.6000114L173L173-D175 PolarHBondContact O-N 3.12Å
176V83.5Confident77Confident23 Ų2354.9 Ų54.914%0.13928%0.279CS..SBendtrans-85.8135.4-178-177.60000110.4R115 K141 L173 I181R115-V176 PolarHBondContact NH2-O 3.05Å; K141-V176 HydrophobicContact CG-CG1 4.48Å; L173-V176 HydrophobicContact CB-CB 4.09Å; L173-V176 HydrophobicContact CB-CG2 3.91Å; L173-V176 HydrophobicContact CD2-CG2 4.04Å; L173-V176 HydrophobicContact CG-CG2 4.41Å; L173-V176 WeakPolarHBondContact O-CB 3.11Å; L173-V176 PolarHBondContact O-N 3.44Å; V176-I181 HydrophobicContact CB-CG1 4.27Å; V176-I181 HydrophobicContact CG1-CG1 3.98Å
177Q83Confident79.1Confident141 Ų14151.2 Ų51.266%0.65927%0.267SS*.  trans-56.7130.3174.6-72.9-65.1-29.800111.3K179 S180Q177-K179 VanDerWaalsContact C-N 3.26Å; Q177-K179 PolarHBondContact O-N 3.3Å; Q177-S180 WeakPolarHBondContact O-CA 3.49Å; Q177-S180 WeakPolarHBondContact O-CB 3.27Å; Q177-S180 PolarHBondContact O-N 3.1Å
178P83.3Confident80.3Confident27 Ų2753.7 Ų53.718%0.17527%0.269CS..G310 helixtrans-54.8-34.7-171.3-28.633.8000115.4V114 R115 S180 I181 P202V114-P178 HydrophobicContact CB-CB 4.41Å; V114-P178 HydrophobicContact CB-CG 4.39Å; V114-P178 HydrophobicContact CG2-CB 4.1Å; V114-P178 HydrophobicContact CG2-CG 3.6Å; R115-P178 HydrophobicContact CG-CG 4.39Å; P178-S180 PolarHBondContact O-N 3.49Å; P178-I181 PolarHBondContact O-N 2.96Å; P178-P202 WeakPolarHBondContact O-CG 3.25Å
179K84Confident80.9Confident180 Ų18054.4 Ų54.478%0.78328%0.276SS*.G310 helixtrans-68-12.3176.6-62.6-177.1179.2-179.50114.2R142 Q177R142-K179 PolarHBondContact NH1-O 3.46Å; Q177-K179 VanDerWaalsContact C-N 3.26Å; Q177-K179 PolarHBondContact O-N 3.3Å
180S85.9Confident80.9Confident31 Ų3157.5 Ų57.522%0.21730%0.302CS..G310 helixtrans-104.71.1-179.1-57.90000113.3R142 Q177 P178R142-S180 PolarHBondContact N-O 2.83Å; Q177-S180 WeakPolarHBondContact O-CA 3.49Å; Q177-S180 WeakPolarHBondContact O-CB 3.27Å; Q177-S180 PolarHBondContact O-N 3.1Å; P178-S180 PolarHBondContact O-N 3.49Å
181I88.1Confident80.8Confident0 Ų060.7 Ų60.70%032%0.319CS..EExtended strand (participates in β ladder)trans-87.1139.5172.8-57.8175.4000108.3R115 L139 L173 V176 P178 Y183 P202R115-I181 VanDerWaalsContact NH1-CD1 3.28Å; L139-I181 HydrophobicContact CB-CG2 4.19Å; L139-I181 HydrophobicContact CD2-CG2 3.92Å; L139-I181 HydrophobicContact CG-CG2 4.17Å; L173-I181 HydrophobicContact CB-CD1 4.45Å; L173-I181 HydrophobicContact CD1-CG2 4.48Å; V176-I181 HydrophobicContact CB-CG1 4.27Å; V176-I181 HydrophobicContact CG1-CG1 3.98Å; P178-I181 PolarHBondContact O-N 2.96Å; I181-Y183 HydrophobicContact CB-CE2 4.43Å; I181-Y183 HydrophobicContact CG2-CD1 4.31Å; I181-Y183 HydrophobicContact CG2-CD2 4.42Å; I181-Y183 HydrophobicContact CG2-CE1 3.78Å; I181-Y183 HydrophobicContact CG2-CE2 3.93Å; I181-P202 VanDerWaalsContact O-CD 3.24Å; I181-P202 WeakPolarHBondContact O-CD 3.41Å; I181-P202 VanDerWaalsContact O-CG 3.31Å; I181-P202 WeakPolarHBondContact O-CG 3.27Å
182L90.3Very high80.1Confident21 Ų2161.4 Ų61.411%0.1132%0.317CS..EExtended strand (participates in β ladder)trans-120.9143.1170.4-56.4172.4000108.1N140 R142 N199 V200N140-L182 HydrophobicContact CB-CB 4.28Å; N140-L182 PolarHBondContact N-O 2.63Å; N140-L182 PolarHBondContact O-N 3.33Å; R142-L182 HydrophobicContact CG-CD1 3.86Å; R142-L182 HydrophobicContact CG-CD2 4.01Å; R142-L182 HydrophobicContact CG-CG 3.98Å; L182-N199 HydrophobicContact CB-CB 4.31Å; L182-N199 HydrophobicContact CD1-CB 4.04Å; L182-V200 WeakPolarHBondContact CA-O 3.49Å
183Y91.7Very high78.7Confident0 Ų072.8 Ų72.80%036%0.359CS..EExtended strand (participates in β ladder)trans-111.4142.9-172.3-61-87.1000112F116 I136 L139 I181 N199 V200 P202 I205F116-Y183 HydrophobicContact CB-CD1 4.49Å; F116-Y183 HydrophobicContact CB-CE1 3.94Å; F116-Y183 HydrophobicContact CD2-CE1 4.45Å; F116-Y183 AromaticContact CD2-CE2 3.99Å; F116-Y183 HydrophobicContact CD2-CE2 3.99Å; F116-Y183 AromaticContact CD2-CZ 3.86Å; F116-Y183 PolarHBondContact N-OH 2.76Å; F116-Y183 WeakPolarHBondContact O-CE1 3.37Å; I136-Y183 HydrophobicContact CD1-CD1 4.14Å; I136-Y183 HydrophobicContact CG2-CD1 4.12Å; L139-Y183 HydrophobicContact CD2-CE1 4.08Å; L139-Y183 HydrophobicContact CG-CD1 4.03Å; L139-Y183 HydrophobicContact CG-CE1 3.98Å; I181-Y183 HydrophobicContact CB-CE2 4.43Å; I181-Y183 HydrophobicContact CG2-CD1 4.31Å; I181-Y183 HydrophobicContact CG2-CD2 4.42Å; I181-Y183 HydrophobicContact CG2-CE1 3.78Å; I181-Y183 HydrophobicContact CG2-CE2 3.93Å; Y183-N199 PolarHBondContact O-N 3.23Å; Y183-V200 PolarHBondContact N-O 3.35Å; Y183-V200 PolarHBondContact O-N 3.42Å; Y183-P202 HydrophobicContact CE2-CB 4Å; Y183-P202 HydrophobicContact CE2-CG 3.89Å; Y183-I205 HydrophobicContact CD2-CD1 3.34Å; Y183-I205 HydrophobicContact CE2-CD1 4.13Å; Y183-I205 HydrophobicContact CG-CD1 3.75Å
184N89.8Confident77.5Confident23 Ų2380.5 Ų80.512%0.12339%0.386CS..EExtended strand (participates in β ladder)trans-99.3130.4168.7-55.2-35.2000108I136 T137 G138 N140 V196 I197 T198 N199I136-N184 WeakPolarHBondContact CA-O 3.49Å; T137-N184 PolarHBondContact N-O 2.94Å; T137-N184 PolarHBondContact OG1-O 2.97Å; G138-N184 PolarHBondContact O-N 3.02Å; N140-N184 PolarHBondContact ND2-OD1 3.33Å; N184-V196 HydrophobicContact CB-CG1 4.28Å; N184-I197 CarbonylContact C-O 3.55Å; N184-I197 WeakPolarHBondContact CA-O 3.42Å; N184-T198 VanDerWaalsContact OD1-CA 3.28Å; N184-T198 WeakPolarHBondContact OD1-CA 3.27Å; N184-T198 WeakPolarHBondContact OD1-CB 3.48Å; N184-N199 PolarHBondContact OD1-N 2.99Å; N184-N199 VanDerWaalsContact OD1-N 3.12Å
185I89.8Confident77Confident0 Ų085 Ų850%041%0.409CS..EExtended strand (participates in β ladder)trans-129.7123.5-171.4-53.3177.9000109.6V122 F124 E135 I136 V196 I197 V200 I205V122-I185 HydrophobicContact CG2-CD1 4.03Å; V122-I185 HydrophobicContact CG2-CG2 4.26Å; F124-I185 HydrophobicContact CB-CD1 3.96Å; F124-I185 HydrophobicContact CD1-CB 4.46Å; F124-I185 HydrophobicContact CD1-CD1 3.76Å; F124-I185 HydrophobicContact CD1-CG2 3.78Å; F124-I185 HydrophobicContact CD2-CD1 4.35Å; F124-I185 HydrophobicContact CE1-CB 4.27Å; F124-I185 HydrophobicContact CE1-CD1 4.38Å; F124-I185 HydrophobicContact CE1-CG2 3.54Å; F124-I185 HydrophobicContact CG-CD1 3.74Å; F124-I185 HydrophobicContact CZ-CG2 4.31Å; E135-I185 CarbonylContact O-C 3.54Å; E135-I185 WeakPolarHBondContact O-CA 3.43Å; I136-I185 HydrophobicContact CG1-CG1 4.39Å; I185-V196 CarbonylContact O-C 3.56Å; I185-V196 WeakPolarHBondContact O-CA 3.45Å; I185-I197 PolarHBondContact N-O 3.15Å; I185-I197 PolarHBondContact O-N 2.92Å; I185-V200 HydrophobicContact CD1-CB 4.02Å; I185-V200 HydrophobicContact CD1-CG1 4.09Å; I185-V200 HydrophobicContact CD1-CG2 3.93Å; I185-V200 HydrophobicContact CG1-CG2 4.28Å; I185-I205 HydrophobicContact CD1-CD1 4.01Å; I185-I205 HydrophobicContact CD1-CG1 4.15Å
186R88.5Confident77.2Confident103 Ų10382.2 Ų82.239%0.38940%0.397SS..EExtended strand (participates in β ladder)trans-83.5125.3171.5177.8-169.5-66.1131.6-2.4109.3G134 E135 T137 N195 V196G134-R186 CarbonylContact C-O 3.51Å; G134-R186 WeakPolarHBondContact CA-O 3.41Å; E135-R186 PolarHBondContact N-O 3.38Å; E135-R186 PolarHBondContact O-N 2.92Å; E135-R186 IonicContact OE1-NH1 3.41Å; E135-R186 PolarHBondContact OE1-NH1 2.88Å; E135-R186 IonicContact OE2-CZ 2.68Å; E135-R186 IonicContact OE2-NH1 3.12Å; E135-R186 PolarHBondContact OE2-NH1 2.97Å; T137-R186 HydrophobicContact CG2-CB 3.68Å; R186-N195 VanDerWaalsContact CA-O 3.28Å; R186-N195 WeakPolarHBondContact CA-O 3.49Å; R186-N195 WeakPolarHBondContact CG-O 3.39Å; R186-V196 HydrophobicContact CB-CG2 4.37Å
187I85.8Confident77.2Confident26 Ų2682.7 Ų82.713%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-80.4138.4-178-43.5-178.1000110.1F124 W132 S189 N195 I197F124-I187 HydrophobicContact CZ-CG1 4.24Å; W132-I187 HydrophobicContact CB-CG2 4.49Å; W132-I187 HydrophobicContact CE3-CG2 4Å; I187-S189 VanDerWaalsContact C-N 3.3Å; I187-S189 PolarHBondContact O-N 3.15Å; I187-N195 PolarHBondContact N-O 3.39Å; I187-I197 HydrophobicContact CD1-CD1 3.64Å; I187-I197 HydrophobicContact CD1-CG1 4.01Å; I187-I197 HydrophobicContact CG1-CD1 4.28Å; I187-I197 HydrophobicContact CG1-CG1 4.42Å
188F80.3Confident77.3Confident119 Ų11980 Ų8052%0.52239%0.392SS..  trans-87.365.1168.1-63.6-55.4000111.2T121 I133 E135T121-F188 HydrophobicContact CG2-CE2 4.06Å; I133-F188 HydrophobicContact CG2-CD2 4.2Å; I133-F188 PolarHBondContact O-N 3.42Å; E135-F188 HydrophobicContact CB-CE1 4.4Å; E135-F188 HydrophobicContact CB-CE2 4.19Å; E135-F188 HydrophobicContact CB-CZ 3.73Å
189S68.7Low77.4Confident51 Ų5182.5 Ų82.536%0.35740%0.404SS..  trans-124.8137.5176.2-172.40000110.7I187I187-S189 VanDerWaalsContact C-N 3.3Å; I187-S189 PolarHBondContact O-N 3.15Å
190P58.3Low77.6Confident122 Ų12274.6 Ų74.679%0.79237%0.371SS*.SBendtrans-72.9-24.5-179.5-14.629000115.1
191D56.9Low77.7Confident151 Ų15174.6 Ų74.681%0.80737%0.371SS*.SBendtrans-110.50.6-154.1-66.4-47.2000116.7
192D51.9Low77.7Confident88 Ų8875.9 Ų75.947%0.47138%0.379SS..  trans-118130.1-176.9-164.6-15.3000112.5R194 N195D192-R194 PolarHBondContact O-N 2.78Å; D192-R194 PolarHBondContact OD1-N 3.45Å; D192-N195 PolarHBondContact O-OD1 3.19Å
193R51.1Low77.5Confident250 Ų25080 Ų8094%0.94341%0.41SS*.SBendtrans-70.1-4.6175.7-70-173.1175.5-167.9-0.6113.4N195R193-N195 PolarHBondContact O-N 3.25Å
194R55.8Low77.3Confident197 Ų19781 Ų8174%0.74342%0.418SS*.  trans-91.871.5174.7-65.6-177.5-179.9178.63.9111.9D192 V196D192-R194 PolarHBondContact O-N 2.78Å; D192-R194 PolarHBondContact OD1-N 3.45Å; R194-V196 PolarHBondContact O-N 2.94Å
195N72.5Confident77.3Confident108 Ų10880.5 Ų80.558%0.57842%0.415SS*.  trans-63.1-15.4-171.1-624.5000115.7R186 I187 D192 R193R186-N195 VanDerWaalsContact CA-O 3.28Å; R186-N195 WeakPolarHBondContact CA-O 3.49Å; R186-N195 WeakPolarHBondContact CG-O 3.39Å; I187-N195 PolarHBondContact N-O 3.39Å; D192-N195 PolarHBondContact O-OD1 3.19Å; R193-N195 PolarHBondContact O-N 3.25Å
196V81.8Confident77.3Confident66 Ų6690 Ų9040%0.445%0.451SS..EExtended strand (participates in β ladder)trans-141.1125.2-177-175.50000111.5N184 I185 R186 R194 T198N184-V196 HydrophobicContact CB-CG1 4.28Å; I185-V196 CarbonylContact O-C 3.56Å; I185-V196 WeakPolarHBondContact O-CA 3.45Å; R186-V196 HydrophobicContact CB-CG2 4.37Å; R194-V196 PolarHBondContact O-N 2.94Å; V196-T198 HydrophobicContact CG1-CG2 4.41Å
197I83.1Confident77.4Confident33 Ų3387.8 Ų87.817%0.16944%0.442CS..EExtended strand (participates in β ladder)trans-90.4129.4166.6-67.7176000108.4F124 N184 I185 I187 V200F124-I197 HydrophobicContact CE2-CD1 3.65Å; F124-I197 HydrophobicContact CZ-CD1 3.84Å; N184-I197 CarbonylContact C-O 3.55Å; N184-I197 WeakPolarHBondContact CA-O 3.42Å; I185-I197 PolarHBondContact N-O 3.15Å; I185-I197 PolarHBondContact O-N 2.92Å; I187-I197 HydrophobicContact CD1-CD1 3.64Å; I187-I197 HydrophobicContact CD1-CG1 4.01Å; I187-I197 HydrophobicContact CG1-CD1 4.28Å; I187-I197 HydrophobicContact CG1-CG1 4.42Å; I197-V200 HydrophobicContact CB-CG2 4.49Å; I197-V200 HydrophobicContact CG2-CG2 3.58Å
198T85.8Confident77.4Confident84 Ų8488.1 Ų88.152%0.51545%0.446SS..EExtended strand (participates in β ladder)trans-102.2157.6-178.858.30000112.2N184 V196 V200N184-T198 VanDerWaalsContact OD1-CA 3.28Å; N184-T198 WeakPolarHBondContact OD1-CA 3.27Å; N184-T198 WeakPolarHBondContact OD1-CB 3.48Å; V196-T198 HydrophobicContact CG1-CG2 4.41Å; T198-V200 PolarHBondContact O-N 3.08Å
199N85.9Confident77.4Confident80 Ų8089.9 Ų89.943%0.42846%0.46SS..EExtended strand (participates in β ladder)trans61.531.8169.5-65.8-44.8000116.9N140 L182 Y183 N184N140-N199 PolarHBondContact ND2-OD1 3.23Å; L182-N199 HydrophobicContact CB-CB 4.31Å; L182-N199 HydrophobicContact CD1-CB 4.04Å; Y183-N199 PolarHBondContact O-N 3.23Å; N184-N199 PolarHBondContact OD1-N 2.99Å; N184-N199 VanDerWaalsContact OD1-N 3.12Å
200V87.7Confident78.2Confident14 Ų1490.5 Ų90.59%0.08546%0.455CS..EExtended strand (participates in β ladder)trans-67.7132.9177.5-172.90000111.1F124 L182 Y183 I185 I197 T198 A204 I205F124-V200 HydrophobicContact CB-CG1 4.5Å; L182-V200 WeakPolarHBondContact CA-O 3.49Å; Y183-V200 PolarHBondContact N-O 3.35Å; Y183-V200 PolarHBondContact O-N 3.42Å; I185-V200 HydrophobicContact CD1-CB 4.02Å; I185-V200 HydrophobicContact CD1-CG1 4.09Å; I185-V200 HydrophobicContact CD1-CG2 3.93Å; I185-V200 HydrophobicContact CG1-CG2 4.28Å; I197-V200 HydrophobicContact CB-CG2 4.49Å; I197-V200 HydrophobicContact CG2-CG2 3.58Å; T198-V200 PolarHBondContact O-N 3.08Å; V200-A204 HydrophobicContact CG1-CB 4.11Å; V200-I205 HydrophobicContact CB-CD1 4.23Å; V200-I205 HydrophobicContact CG1-CD1 3.9Å; V200-I205 HydrophobicContact CG1-CG1 3.72Å
201S88.1Confident79.5Confident31 Ų3193.2 Ų93.222%0.21746%0.455CS..  trans-70.8142.4178.6-177.20000111.5S203 A204S201-S203 PolarHBondContact O-N 3.31Å; S201-S203 PolarHBondContact OG-OG 3.01Å; S201-A204 PolarHBondContact O-N 3.12Å
202P87.7Confident81.1Confident27 Ų2788.6 Ų88.618%0.17543%0.43CS..G310 helixtrans-55.7-30177.8-17.123.7000113.5P178 I181 Y183 A204 I205P178-P202 WeakPolarHBondContact O-CG 3.25Å; I181-P202 VanDerWaalsContact O-CD 3.24Å; I181-P202 WeakPolarHBondContact O-CD 3.41Å; I181-P202 VanDerWaalsContact O-CG 3.31Å; I181-P202 WeakPolarHBondContact O-CG 3.27Å; Y183-P202 HydrophobicContact CE2-CB 4Å; Y183-P202 HydrophobicContact CE2-CG 3.89Å; P202-A204 PolarHBondContact O-N 3.41Å; P202-I205 PolarHBondContact O-N 3.31Å
203S86.6Confident83Confident108 Ų10884.7 Ų84.776%0.75541%0.409SS*.G310 helixtrans-67-18.1178.255.80000114.4S201S201-S203 PolarHBondContact O-N 3.31Å; S201-S203 PolarHBondContact OG-OG 3.01Å
204A86.6Confident85Confident21 Ų2175.8 Ų75.817%0.17438%0.383CS..G310 helixtrans-99.26.2-178.800000112.8F124 T125 V200 S201 P202F124-A204 CarbonylContact C-O 3.44Å; F124-A204 WeakPolarHBondContact CA-O 3.41Å; F124-A204 WeakPolarHBondContact CB-O 3.18Å; T125-A204 PolarHBondContact N-O 3.04Å; V200-A204 HydrophobicContact CG1-CB 4.11Å; S201-A204 PolarHBondContact O-N 3.12Å; P202-A204 PolarHBondContact O-N 3.41Å
205I90.4Very high86.8Confident11 Ų1170 Ų706%0.05636%0.364CS..EExtended strand (participates in β ladder)trans-120.1140.9-170.1-55.8173.1000110.3F116 V122 A123 F124 Y183 I185 V200 P202F116-I205 HydrophobicContact CD1-CG2 3.98Å; F116-I205 HydrophobicContact CD2-CB 4.44Å; F116-I205 HydrophobicContact CD2-CG2 4.12Å; F116-I205 HydrophobicContact CE1-CB 4.4Å; F116-I205 HydrophobicContact CE1-CG2 3.68Å; F116-I205 HydrophobicContact CE2-CB 3.87Å; F116-I205 HydrophobicContact CE2-CG2 3.86Å; F116-I205 HydrophobicContact CG-CG2 4.19Å; F116-I205 HydrophobicContact CZ-CB 3.84Å; F116-I205 HydrophobicContact CZ-CG2 3.63Å; F116-I205 WeakPolarHBondContact CZ-O 3.36Å; V122-I205 HydrophobicContact CB-CG2 3.61Å; V122-I205 HydrophobicContact CG1-CG2 3.72Å; V122-I205 HydrophobicContact CG2-CG2 3.85Å; A123-I205 CarbonylContact O-C 3.43Å; A123-I205 WeakPolarHBondContact O-CA 3.38Å; F124-I205 HydrophobicContact CB-CG1 4.24Å; Y183-I205 HydrophobicContact CD2-CD1 3.34Å; Y183-I205 HydrophobicContact CE2-CD1 4.13Å; Y183-I205 HydrophobicContact CG-CD1 3.75Å; I185-I205 HydrophobicContact CD1-CD1 4.01Å; I185-I205 HydrophobicContact CD1-CG1 4.15Å; V200-I205 HydrophobicContact CB-CD1 4.23Å; V200-I205 HydrophobicContact CG1-CD1 3.9Å; V200-I205 HydrophobicContact CG1-CG1 3.72Å; P202-I205 PolarHBondContact O-N 3.31Å
206R89.8Confident87.7Confident199 Ų19972.8 Ų72.875%0.75137%0.371SS*.EExtended strand (participates in β ladder)trans-136.1140.3175.5-62-176-179.6-171.80.7110.5V122 A123V122-R206 CarbonylContact C-O 3.58Å; V122-R206 VanDerWaalsContact CA-O 3.24Å; V122-R206 WeakPolarHBondContact CA-O 3.48Å; V122-R206 WeakPolarHBondContact CB-O 3.26Å; A123-R206 PolarHBondContact N-O 3.49Å; A123-R206 PolarHBondContact O-N 3.2Å
207R90.6Very high88.2Confident57 Ų5770.1 Ų70.122%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-66.1139.4176.6-63.2-175.5139.890.619.8111.1L112 R115 F116 E120L112-R207 PolarHBondContact O-NH1 3.5Å; L112-R207 PolarHBondContact O-NH2 3.42Å; R115-R207 PolarHBondContact O-NH1 2.78Å; R115-R207 PolarHBondContact O-NH2 3Å; F116-R207 HydrophobicContact CD1-CG 3.97Å; F116-R207 HydrophobicContact CE1-CG 3.66Å; E120-R207 WeakPolarHBondContact OE1-CD 3.32Å; E120-R207 IonicContact OE1-CZ 3.13Å; E120-R207 VanDerWaalsContact OE1-CZ 3.32Å; E120-R207 IonicContact OE1-NE 2.86Å; E120-R207 PolarHBondContact OE1-NE 3.06Å; E120-R207 IonicContact OE1-NH2 3.24Å; E120-R207 PolarHBondContact OE1-NH2 3.5Å; E120-R207 VanDerWaalsContact OE1-NH2 3.12Å; E120-R207 IonicContact OE2-CZ 2.78Å; E120-R207 IonicContact OE2-NE 3.97Å; E120-R207 IonicContact OE2-NH2 2.96Å; E120-R207 PolarHBondContact OE2-NH2 3.49Å
208V86.5Confident88.7Confident34 Ų3468.5 Ų68.521%0.20635%0.346CS..  trans-126.9132.4173.11760000108.5T121 A123 Y210T121-V208 HydrophobicContact CG2-CB 4.3Å; T121-V208 HydrophobicContact CG2-CG1 4.46Å; T121-V208 PolarHBondContact O-N 3.4Å; T121-V208 VanDerWaalsContact O-N 3.1Å; A123-V208 HydrophobicContact CB-CG2 3.62Å; V208-Y210 WeakPolarHBondContact O-CD2 3.49Å; V208-Y210 WeakPolarHBondContact O-CE2 3.24Å; V208-Y210 PolarHBondContact O-N 2.5Å; V208-Y210 VanDerWaalsContact O-N 3.16Å
209N80.8Confident89.1Confident155 Ų15568.1 Ų68.183%0.82934%0.335SS*.SBendtrans64.75.6178.6-56.4-21.8000117.7
210Y84.7Confident89.4Confident64 Ų6465.6 Ų65.625%0.25132%0.322SS..  trans-110130.6174.8-64.2-84000113.3A83 V85 F86 G119 E120 T121 V208A83-Y210 HydrophobicContact CB-CD1 3.83Å; A83-Y210 HydrophobicContact CB-CE1 3.97Å; V85-Y210 HydrophobicContact CG1-CE1 4.27Å; V85-Y210 HydrophobicContact CG2-CD1 3.78Å; V85-Y210 HydrophobicContact CG2-CE1 3.44Å; V85-Y210 VanDerWaalsContact CG2-CE1 3.44Å; F86-Y210 HydrophobicContact CE2-CD1 4.13Å; F86-Y210 HydrophobicContact CZ-CD1 4.2Å; F86-Y210 HydrophobicContact CZ-CG 4.23Å; G119-Y210 PolarHBondContact O-OH 2.98Å; E120-Y210 HydrophobicContact CG-CD2 3.83Å; E120-Y210 HydrophobicContact CG-CE2 4.01Å; E120-Y210 HydrophobicContact CG-CG 4.44Å; T121-Y210 VanDerWaalsContact N-CE2 3.34Å; V208-Y210 WeakPolarHBondContact O-CD2 3.49Å; V208-Y210 WeakPolarHBondContact O-CE2 3.24Å; V208-Y210 PolarHBondContact O-N 2.5Å; V208-Y210 VanDerWaalsContact O-N 3.16Å
211K86.1Confident89.7Confident180 Ų18065.1 Ų65.178%0.78332%0.319SS*.PPolyproline II helixtrans-99.4128.4168.8-175.3176.6-178.3176.20109.4
212L89.8Confident89.8Confident54 Ų5463.8 Ų63.828%0.28331%0.309SS..PPolyproline II helixtrans-63.9134.5176.7-74172.8000111.1L112 T214L112-L212 HydrophobicContact CB-CD2 3.9Å; L212-T214 PolarHBondContact O-N 3.17Å
213P91.3Very high90Very high5 Ų566.9 Ų66.93%0.03232%0.317CS..PPolyproline II helixtrans-59.5133.1176.4-27.336.5000112.8I82 F86 H109 L112 L218I82-P213 HydrophobicContact CB-CG 4.47Å; I82-P213 HydrophobicContact CD1-CB 3.74Å; I82-P213 HydrophobicContact CD1-CG 3.91Å; I82-P213 HydrophobicContact CG1-CB 4.01Å; I82-P213 HydrophobicContact CG1-CG 4Å; I82-P213 HydrophobicContact CG2-CG 4.03Å; F86-P213 HydrophobicContact CD2-CG 4.09Å; H109-P213 PolarHBondContact CD2-O 3.25Å; L112-P213 HydrophobicContact CD1-CG 4.3Å; P213-L218 HydrophobicContact CB-CD2 3.78Å; P213-L218 HydrophobicContact CB-CG 3.86Å; P213-L218 HydrophobicContact CG-CD2 4.4Å
214T93.1Very high90.1Very high64 Ų6462.5 Ų62.539%0.39329%0.286SS..PPolyproline II helixtrans-69.1156.1178.474.70000111.6L212 K216 T217 L218L212-T214 PolarHBondContact O-N 3.17Å; T214-K216 PolarHBondContact O-N 3.32Å; T214-K216 PolarHBondContact OG1-N 2.87Å; T214-T217 PolarHBondContact O-N 2.95Å; T214-T217 PolarHBondContact OG1-N 3.06Å; T214-T217 VanDerWaalsContact OG1-N 3.12Å; T214-T217 PolarHBondContact OG1-OG1 3.15Å; T214-L218 PolarHBondContact O-N 2.73Å
215H93.5Very high90.2Very high75 Ų7562.2 Ų62.235%0.34728%0.281SS..Hα-helixtrans-53.2-28.6171.6-69.7-106.9000113V105 N106 H109 R219V105-H215 HydrophobicContact CG1-CB 3.94Å; V105-H215 WeakPolarHBondContact CG1-O 3.32Å; N106-H215 PolarHBondContact OD1-CE1 2.89Å; N106-H215 PolarHBondContact OD1-ND1 3.45Å; H109-H215 AromaticContact CD2-CD2 3.95Å; H109-H215 AromaticContact CD2-NE2 3.89Å; H109-H215 AromaticContact CE1-NE2 3.85Å; H109-H215 AromaticContact CG-CE1 3.99Å; H109-H215 AromaticContact CG-NE2 3.55Å; H109-H215 AromaticContact ND1-NE2 3.53Å; H215-R219 WeakPolarHBondContact O-CB 3.36Å; H215-R219 PolarHBondContact O-N 3.31Å
216K92.4Very high90.1Very high167 Ų16761.7 Ų61.773%0.72628%0.278SS*.Hα-helixtrans-71.9-43175.8-175.1176.8-179.3175.90111.6T214 L220T214-K216 PolarHBondContact O-N 3.32Å; T214-K216 PolarHBondContact OG1-N 2.87Å; K216-L220 PolarHBondContact O-N 3.27Å
217T92.6Very high89.8Confident9 Ų954.1 Ų54.16%0.05525%0.25CC..Hα-helixtrans-70.1-45.1177.4-48.50000111E81 I82 T214 R219 L220 F221E81-T217 HydrophobicContact CB-CG2 3.56Å; E81-T217 HydrophobicContact CG-CG2 4.48Å; E81-T217 WeakPolarHBondContact OE2-CB 3.09Å; E81-T217 WeakPolarHBondContact OE2-CG2 3.02Å; E81-T217 PolarHBondContact OE2-OG1 3.35Å; I82-T217 HydrophobicContact CD1-CG2 3.83Å; I82-T217 HydrophobicContact CG1-CG2 3.48Å; I82-T217 VanDerWaalsContact CG1-CG2 3.48Å; T214-T217 PolarHBondContact O-N 2.95Å; T214-T217 PolarHBondContact OG1-N 3.06Å; T214-T217 VanDerWaalsContact OG1-N 3.12Å; T214-T217 PolarHBondContact OG1-OG1 3.15Å; T217-R219 PolarHBondContact O-N 3.44Å; T217-L220 WeakPolarHBondContact O-CB 3.4Å; T217-L220 PolarHBondContact O-N 3.31Å; T217-L220 VanDerWaalsContact O-N 3.07Å; T217-F221 PolarHBondContact O-N 2.98Å
218L94Very high89.3Confident0 Ų052 Ų520%024%0.242CC..Hα-helixtrans-58.5-44.1174.1-71.2174.4000112.1I82 I90 V105 T108 H109 L112 P213 T214 L220 F221 V222I82-L218 HydrophobicContact CD1-CD2 4.22Å; I90-L218 HydrophobicContact CD1-CD2 3.71Å; I90-L218 HydrophobicContact CG1-CD2 4.29Å; V105-L218 HydrophobicContact CG1-CB 4Å; T108-L218 HydrophobicContact CG2-CD1 4.43Å; T108-L218 HydrophobicContact CG2-CD2 3.98Å; H109-L218 HydrophobicContact CB-CD1 3.75Å; L112-L218 HydrophobicContact CD1-CD2 4.25Å; P213-L218 HydrophobicContact CB-CD2 3.78Å; P213-L218 HydrophobicContact CB-CG 3.86Å; P213-L218 HydrophobicContact CG-CD2 4.4Å; T214-L218 PolarHBondContact O-N 2.73Å; L218-L220 PolarHBondContact O-N 2.96Å; L218-F221 PolarHBondContact O-N 3.34Å; L218-V222 WeakPolarHBondContact O-CG2 3.2Å; L218-V222 PolarHBondContact O-N 2.79Å
219R93.5Very high88.4Confident75 Ų7554.9 Ų54.928%0.28325%0.252SS..Hα-helixtrans-60.3-34.3174.6-179.1-170.2-63-85.9-1.4112.7L101 N102 V105 H215 T217 R223L101-R219 HydrophobicContact CD2-CG 3.93Å; L101-R219 HydrophobicContact CG-CG 4.38Å; N102-R219 VanDerWaalsContact OD1-CZ 3.24Å; N102-R219 PolarHBondContact OD1-NH1 2.95Å; N102-R219 PolarHBondContact OD1-NH2 3.32Å; V105-R219 HydrophobicContact CG2-CB 4Å; H215-R219 WeakPolarHBondContact O-CB 3.36Å; H215-R219 PolarHBondContact O-N 3.31Å; T217-R219 PolarHBondContact O-N 3.44Å; R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 3.15Å
220L92Very high87.9Confident28 Ų2849.9 Ų49.915%0.14723%0.229CC..Hα-helixtrans-73.4-47175.3-166.766.7000110.3T56 L57 K77 V78 K216 T217 L218 V222 R223 T224T56-L220 HydrophobicContact CG2-CD1 3.74Å; T56-L220 HydrophobicContact CG2-CG 4.45Å; L57-L220 HydrophobicContact CD2-CD1 3.88Å; K77-L220 HydrophobicContact CD-CD2 4.38Å; V78-L220 HydrophobicContact CG2-CB 3.95Å; V78-L220 HydrophobicContact CG2-CD2 3.56Å; V78-L220 HydrophobicContact CG2-CG 3.51Å; K216-L220 PolarHBondContact O-N 3.27Å; T217-L220 WeakPolarHBondContact O-CB 3.4Å; T217-L220 PolarHBondContact O-N 3.31Å; T217-L220 VanDerWaalsContact O-N 3.07Å; L218-L220 PolarHBondContact O-N 2.96Å; L220-V222 PolarHBondContact O-N 2.97Å; L220-R223 PolarHBondContact O-N 3.09Å; L220-R223 VanDerWaalsContact O-N 3.12Å; L220-T224 PolarHBondContact O-N 3.48Å; L220-T224 PolarHBondContact O-OG1 3.04Å; L220-T224 VanDerWaalsContact O-OG1 3.06Å
221F93.3Very high87Confident4 Ų452.7 Ų52.72%0.01824%0.24CC..Hα-helixtrans-53.9-51.8176.4-174.9-76.9000112.3V78 I82 C87 I90 L91 T217 L218 R223 T224 F225V78-F221 HydrophobicContact CG1-CB 3.74Å; V78-F221 HydrophobicContact CG1-CD2 3.29Å; V78-F221 HydrophobicContact CG1-CE2 4.24Å; V78-F221 HydrophobicContact CG1-CG 3.9Å; I82-F221 HydrophobicContact CD1-CB 3.94Å; I82-F221 HydrophobicContact CD1-CD2 3.7Å; I82-F221 HydrophobicContact CD1-CG 4.04Å; I82-F221 HydrophobicContact CG1-CD2 4.49Å; C87-F221 HydrophobicContact CB-CE2 4.23Å; C87-F221 HydrophobicContact CB-CZ 4.22Å; I90-F221 HydrophobicContact CB-CD1 4.48Å; I90-F221 HydrophobicContact CB-CE1 3.98Å; I90-F221 HydrophobicContact CB-CZ 4.36Å; I90-F221 HydrophobicContact CG2-CD1 3.55Å; I90-F221 HydrophobicContact CG2-CE1 3.4Å; I90-F221 VanDerWaalsContact CG2-CE1 3.4Å; I90-F221 HydrophobicContact CG2-CG 4.49Å; I90-F221 HydrophobicContact CG2-CZ 4.24Å; L91-F221 HydrophobicContact CD1-CZ 4.25Å; L91-F221 HydrophobicContact CD2-CE1 3.54Å; L91-F221 HydrophobicContact CD2-CZ 3.89Å; L91-F221 HydrophobicContact CG-CE1 3.79Å; L91-F221 HydrophobicContact CG-CZ 3.8Å; T217-F221 PolarHBondContact O-N 2.98Å; L218-F221 PolarHBondContact O-N 3.34Å; F221-R223 VanDerWaalsContact C-N 3.26Å; F221-R223 PolarHBondContact O-N 3.32Å; F221-T224 PolarHBondContact O-N 3.28Å; F221-F225 HydrophobicContact CD1-CD2 4.05Å; F221-F225 AromaticContact CD2-CD2 3.82Å; F221-F225 HydrophobicContact CD2-CD2 3.82Å; F221-F225 AromaticContact CD2-CE2 3.87Å; F221-F225 HydrophobicContact CD2-CE2 3.87Å; F221-F225 HydrophobicContact CE1-CB 4.49Å; F221-F225 AromaticContact CE1-CD2 3.93Å; F221-F225 HydrophobicContact CE1-CD2 3.93Å; F221-F225 AromaticContact CE2-CD2 3.7Å; F221-F225 HydrophobicContact CE2-CD2 3.7Å; F221-F225 AromaticContact CE2-CE2 3.75Å; F221-F225 HydrophobicContact CE2-CE2 3.75Å; F221-F225 AromaticContact CG-CD2 3.98Å; F221-F225 HydrophobicContact CG-CD2 3.98Å; F221-F225 HydrophobicContact CG-CE2 4.43Å; F221-F225 AromaticContact CZ-CD2 3.75Å; F221-F225 HydrophobicContact CZ-CD2 3.75Å; F221-F225 HydrophobicContact CZ-CE2 4.22Å; F221-F225 PolarHBondContact O-N 3.22Å
222V91.3Very high85.8Confident2 Ų252.9 Ų52.91%0.01225%0.246CC..Hα-helixtrans-61.4-33.6179174.30000111.8V94 L101 L218 L220 A226 W238V94-V222 HydrophobicContact CG1-CG1 4.19Å; V94-V222 HydrophobicContact CG1-CG2 4.43Å; V94-V222 HydrophobicContact CG2-CG2 3.96Å; L101-V222 HydrophobicContact CD1-CB 3.97Å; L101-V222 HydrophobicContact CD1-CG1 3.54Å; L218-V222 WeakPolarHBondContact O-CG2 3.2Å; L218-V222 PolarHBondContact O-N 2.79Å; L220-V222 PolarHBondContact O-N 2.97Å; V222-A226 HydrophobicContact CG1-CB 4.46Å; V222-A226 CarbonylContact O-C 3.51Å; V222-A226 WeakPolarHBondContact O-CA 3.38Å; V222-A226 WeakPolarHBondContact O-CB 3.47Å; V222-A226 PolarHBondContact O-N 2.81Å; V222-W238 HydrophobicContact CG1-CD2 4.15Å; V222-W238 HydrophobicContact CG1-CE3 3.72Å; V222-W238 HydrophobicContact CG1-CH2 4.23Å; V222-W238 HydrophobicContact CG1-CZ3 3.75Å
223R90.4Very high84.6Confident93 Ų9351.4 Ų51.435%0.35124%0.241SC..Hα-helixtrans-78.8-23.7175.3-75.3-177.4173.3146.5-7.6114.1T56 L101 R219 L220 F221T56-R223 HydrophobicContact CG2-CB 4.15Å; T56-R223 WeakPolarHBondContact O-CD 3.21Å; L101-R223 HydrophobicContact CD2-CG 4.06Å; L101-R223 VanDerWaalsContact CD2-CZ 3.43Å; L101-R223 VanDerWaalsContact CD2-NE 3.26Å; R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 3.15Å; L220-R223 PolarHBondContact O-N 3.09Å; L220-R223 VanDerWaalsContact O-N 3.12Å; F221-R223 VanDerWaalsContact C-N 3.26Å; F221-R223 PolarHBondContact O-N 3.32Å
224T89.8Confident83.5Confident15 Ų1554.2 Ų54.29%0.09226%0.26CS..Hα-helixtrans-76.1-51.5175.3-59.10000110.8R55 T56 R75 L220 F221R55-T224 PolarHBondContact NH2-O 3.43Å; T56-T224 VanDerWaalsContact CG2-OG1 3.28Å; T56-T224 WeakPolarHBondContact CG2-OG1 3.49Å; R75-T224 HydrophobicContact CB-CG2 3.99Å; R75-T224 HydrophobicContact CG-CG2 4.09Å; L220-T224 PolarHBondContact O-N 3.48Å; L220-T224 PolarHBondContact O-OG1 3.04Å; L220-T224 VanDerWaalsContact O-OG1 3.06Å; F221-T224 PolarHBondContact O-N 3.28Å
225F89.1Confident82.6Confident15 Ų1557.5 Ų57.57%0.06627%0.271CS..Hα-helixtrans-1072.5-168.2-59.2-65.6000114.9R75 V78 E79 L91 F221 V240 D241 K244R75-F225 HydrophobicContact CG-CE1 3.98Å; R75-F225 HydrophobicContact CG-CZ 3.87Å; V78-F225 HydrophobicContact CG1-CE2 3.84Å; E79-F225 HydrophobicContact CG-CZ 4.29Å; L91-F225 HydrophobicContact CD2-CB 3.65Å; L91-F225 HydrophobicContact CD2-CG 4.45Å; F221-F225 HydrophobicContact CD1-CD2 4.05Å; F221-F225 AromaticContact CD2-CD2 3.82Å; F221-F225 HydrophobicContact CD2-CD2 3.82Å; F221-F225 AromaticContact CD2-CE2 3.87Å; F221-F225 HydrophobicContact CD2-CE2 3.87Å; F221-F225 HydrophobicContact CE1-CB 4.49Å; F221-F225 AromaticContact CE1-CD2 3.93Å; F221-F225 HydrophobicContact CE1-CD2 3.93Å; F221-F225 AromaticContact CE2-CD2 3.7Å; F221-F225 HydrophobicContact CE2-CD2 3.7Å; F221-F225 AromaticContact CE2-CE2 3.75Å; F221-F225 HydrophobicContact CE2-CE2 3.75Å; F221-F225 AromaticContact CG-CD2 3.98Å; F221-F225 HydrophobicContact CG-CD2 3.98Å; F221-F225 HydrophobicContact CG-CE2 4.43Å; F221-F225 AromaticContact CZ-CD2 3.75Å; F221-F225 HydrophobicContact CZ-CD2 3.75Å; F221-F225 HydrophobicContact CZ-CE2 4.22Å; F221-F225 PolarHBondContact O-N 3.22Å; F225-V240 WeakPolarHBondContact O-CA 3.38Å; F225-D241 WeakPolarHBondContact CA-OD2 3.44Å; F225-D241 PolarHBondContact O-N 2.75Å; F225-K244 HydrophobicContact CD1-CD 4.49Å; F225-K244 HydrophobicContact CD1-CG 3.9Å
226A87.8Confident81.6Confident1 Ų155.3 Ų55.31%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-141.3159173.900000112.4R55 V94 V222 W238 L239 V240R55-A226 PolarHBondContact NH2-O 2.69Å; V94-A226 HydrophobicContact CG1-CB 4.12Å; V222-A226 HydrophobicContact CG1-CB 4.46Å; V222-A226 CarbonylContact O-C 3.51Å; V222-A226 WeakPolarHBondContact O-CA 3.38Å; V222-A226 WeakPolarHBondContact O-CB 3.47Å; V222-A226 PolarHBondContact O-N 2.81Å; A226-W238 HydrophobicContact CB-CE3 4.05Å; A226-L239 CarbonylContact C-O 3.56Å; A226-L239 WeakPolarHBondContact CA-O 3.01Å; A226-L239 VanDerWaalsContact CB-O 3.24Å; A226-L239 WeakPolarHBondContact CB-O 3.42Å; A226-V240 HydrophobicContact CB-CG2 4.33Å
227Y83.8Confident81.1Confident39 Ų3948.9 Ų48.915%0.15324%0.237CC..EExtended strand (participates in β ladder)trans-141.8171.6-179.469.4-83.5000112K229 W238 L239Y227-K229 HydrophobicContact CE2-CG 4.24Å; Y227-W238 WeakPolarHBondContact O-CA 3.46Å; Y227-L239 HydrophobicContact CD1-CB 4.28Å; Y227-L239 WeakPolarHBondContact CD1-O 3.29Å; Y227-L239 HydrophobicContact CE1-CB 3.86Å; Y227-L239 HydrophobicContact CE2-CB 4.23Å; Y227-L239 HydrophobicContact CE2-CD1 3.82Å; Y227-L239 PolarHBondContact N-O 2.98Å; Y227-L239 PolarHBondContact O-N 3.41Å
228K79Confident80.8Confident12 Ų1248.7 Ų48.75%0.05224%0.235CC..  trans-125.1142.5163.2-68.3-154178.8-163.20108.6Q99 S230 S233 S234 L236 W238Q99-K228 WeakPolarHBondContact O-CE 3.39Å; Q99-K228 PolarHBondContact O-NZ 3.31Å; K228-S230 PolarHBondContact O-N 2.89Å; K228-S230 VanDerWaalsContact O-N 3.15Å; K228-S233 PolarHBondContact NZ-O 3.1Å; K228-S234 PolarHBondContact NZ-O 2.93Å; K228-L236 HydrophobicContact CD-CB 4.39Å; K228-L236 WeakPolarHBondContact CD-O 3.49Å; K228-L236 WeakPolarHBondContact CE-O 3.35Å; K228-L236 PolarHBondContact NZ-O 3.46Å; K228-W238 VanDerWaalsContact CE-CD1 3.48Å; K228-W238 HydrophobicContact CG-CD2 3.99Å; K228-W238 HydrophobicContact CG-CE3 4.24Å; K228-W238 HydrophobicContact CG-CG 4.35Å; K228-W238 HydrophobicContact CG-CZ2 4.33Å
229K68Low80.3Confident95 Ų9549.2 Ų49.241%0.41324%0.238SC..SBendtrans-58.2-26.1173.8-68.4-179-178.4173.80112.3Y227 L236 L239 E256 L260Y227-K229 HydrophobicContact CE2-CG 4.24Å; K229-L236 HydrophobicContact CB-CD1 4.16Å; K229-L239 HydrophobicContact CG-CD1 4.32Å; K229-E256 IonicContact NZ-OE1 2.75Å; K229-E256 IonicContact NZ-OE2 3.84Å; K229-E256 PolarHBondContact NZ-OE2 3.03Å; K229-L260 HydrophobicContact CD-CD1 3.93Å; K229-L260 HydrophobicContact CD-CD2 4.27Å
230S69.7Low79.9Confident50 Ų5045.7 Ų45.735%0.3523%0.225SC..  trans-142.5123.7160.4173.40000110.9K228 M232 S233K228-S230 PolarHBondContact O-N 2.89Å; K228-S230 VanDerWaalsContact O-N 3.15Å; S230-M232 PolarHBondContact O-N 2.63Å; S230-M232 PolarHBondContact OG-N 3.09Å; S230-S233 PolarHBondContact O-N 3.08Å
231Y66.6Low79.4Confident123 Ų12345.7 Ų45.748%0.48223%0.225SC..THydrogen-bonded Turntrans-67.4-17.9175.5-69.7-75.6000113.6W238Y231-W238 HydrophobicContact CD1-CH2 4.41Å; Y231-W238 HydrophobicContact CE1-CH2 4.15Å; Y231-W238 HydrophobicContact CE1-CZ3 4.28Å
232M60.2Low78.2Confident185 Ų18545.6 Ų45.691%0.91123%0.225SC*.THydrogen-bonded Turntrans-84.5-15.6177.5-56.3-160.978.800112.7S230S230-M232 PolarHBondContact O-N 2.63Å; S230-M232 PolarHBondContact OG-N 3.09Å
233S64.4Low77.3Confident23 Ų2350.3 Ų50.316%0.16125%0.25CC..  trans-88.9118176.7-178.80000111.3K228 S230 H235 L236K228-S233 PolarHBondContact NZ-O 3.1Å; S230-S233 PolarHBondContact O-N 3.08Å; S233-H235 VanDerWaalsContact C-N 3.27Å; S233-H235 PolarHBondContact OG-CD2 3.43Å; S233-H235 PolarHBondContact OG-N 3.33Å; S233-L236 PolarHBondContact OG-N 3.31Å
234S68.9Low76.5Confident64 Ų6447.7 Ų47.745%0.44824%0.241SC..SBendtrans-68.8-30.816952.30000111.6V98 K228 L236V98-S234 WeakPolarHBondContact CG1-O 3.22Å; K228-S234 PolarHBondContact NZ-O 2.93Å; S234-L236 PolarHBondContact O-N 3.39Å
235H73.4Confident75.5Confident132 Ų13247 Ų4761%0.61124%0.236SC*.SBendtrans-76-17.5-173.7-23.2-67.2000114.6V98 S233V98-H235 VanDerWaalsContact CG1-C 3.49Å; V98-H235 WeakPolarHBondContact CG1-O 3.35Å; S233-H235 VanDerWaalsContact C-N 3.27Å; S233-H235 PolarHBondContact OG-CD2 3.43Å; S233-H235 PolarHBondContact OG-N 3.33Å
236L73Confident74.4Confident29 Ų2951.3 Ų51.315%0.15226%0.257CS..SBendtrans-81.1141.6176.4-69.7174.1000111.2K228 K229 S233 S234 L260K228-L236 HydrophobicContact CD-CB 4.39Å; K228-L236 WeakPolarHBondContact CD-O 3.49Å; K228-L236 WeakPolarHBondContact CE-O 3.35Å; K228-L236 PolarHBondContact NZ-O 3.46Å; K229-L236 HydrophobicContact CB-CD1 4.16Å; S233-L236 PolarHBondContact OG-N 3.31Å; S234-L236 PolarHBondContact O-N 3.39Å; L236-L260 HydrophobicContact CD2-CD2 3.85Å
237P83.3Confident73.5Confident32 Ų3256.8 Ų56.821%0.20828%0.283CS..PPolyproline II helixtrans-68.7156.6175.729.4-35.1000111.8K97 V98 L239K97-P237 WeakPolarHBondContact O-CA 3.4Å; V98-P237 HydrophobicContact CG2-CB 4.13Å; P237-L239 HydrophobicContact CG-CD2 4.14Å; P237-L239 HydrophobicContact CG-CG 4.49Å
238W86.2Confident72.5Confident6 Ų655.1 Ų55.12%0.02328%0.276CS..PPolyproline II helixtrans-75.2127.9158.9-73.689.8000109.6V94 G96 K97 Q99 L101 V222 A226 Y227 K228 Y231V94-W238 HydrophobicContact CG1-CB 4.01Å; G96-W238 PolarHBondContact N-O 3.11Å; K97-W238 VanDerWaalsContact O-CD1 3.31Å; K97-W238 PolarHBondContact O-N 2.87Å; Q99-W238 PolarHBondContact O-NE1 2.8Å; L101-W238 HydrophobicContact CB-CH2 4.21Å; L101-W238 HydrophobicContact CB-CZ2 3.72Å; L101-W238 HydrophobicContact CD1-CH2 3.79Å; L101-W238 HydrophobicContact CD1-CZ2 3.83Å; L101-W238 HydrophobicContact CG-CH2 4.39Å; L101-W238 HydrophobicContact CG-CZ2 4.29Å; V222-W238 HydrophobicContact CG1-CD2 4.15Å; V222-W238 HydrophobicContact CG1-CE3 3.72Å; V222-W238 HydrophobicContact CG1-CH2 4.23Å; V222-W238 HydrophobicContact CG1-CZ3 3.75Å; A226-W238 HydrophobicContact CB-CE3 4.05Å; Y227-W238 WeakPolarHBondContact O-CA 3.46Å; K228-W238 VanDerWaalsContact CE-CD1 3.48Å; K228-W238 HydrophobicContact CG-CD2 3.99Å; K228-W238 HydrophobicContact CG-CE3 4.24Å; K228-W238 HydrophobicContact CG-CG 4.35Å; K228-W238 HydrophobicContact CG-CZ2 4.33Å; Y231-W238 HydrophobicContact CD1-CH2 4.41Å; Y231-W238 HydrophobicContact CE1-CH2 4.15Å; Y231-W238 HydrophobicContact CE1-CZ3 4.28Å
239L83.6Confident71.3Confident11 Ų1156.9 Ų56.96%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-111.6128.3178.3-59.9168.7000107.6A226 Y227 K229 P237 E256A226-L239 CarbonylContact C-O 3.56Å; A226-L239 WeakPolarHBondContact CA-O 3.01Å; A226-L239 VanDerWaalsContact CB-O 3.24Å; A226-L239 WeakPolarHBondContact CB-O 3.42Å; Y227-L239 HydrophobicContact CD1-CB 4.28Å; Y227-L239 WeakPolarHBondContact CD1-O 3.29Å; Y227-L239 HydrophobicContact CE1-CB 3.86Å; Y227-L239 HydrophobicContact CE2-CB 4.23Å; Y227-L239 HydrophobicContact CE2-CD1 3.82Å; Y227-L239 PolarHBondContact N-O 2.98Å; Y227-L239 PolarHBondContact O-N 3.41Å; K229-L239 HydrophobicContact CG-CD1 4.32Å; P237-L239 HydrophobicContact CG-CD2 4.14Å; P237-L239 HydrophobicContact CG-CG 4.49Å; L239-E256 WeakPolarHBondContact CD1-OE1 3.3Å; L239-E256 VanDerWaalsContact CD2-OE1 3.25Å; L239-E256 WeakPolarHBondContact CD2-OE1 3.5Å
240V84.8Confident70.6Confident1 Ų154 Ų541%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-77.7148.2173.6169.60000108.4L91 H95 F225 A226 K244 L245L91-V240 HydrophobicContact CB-CG1 4.44Å; L91-V240 HydrophobicContact CB-CG2 4.32Å; L91-V240 HydrophobicContact CD2-CG1 3.77Å; L91-V240 HydrophobicContact CD2-CG2 4.06Å; H95-V240 HydrophobicContact CB-CB 4.48Å; H95-V240 HydrophobicContact CB-CG2 3.84Å; F225-V240 WeakPolarHBondContact O-CA 3.38Å; A226-V240 HydrophobicContact CB-CG2 4.33Å; V240-K244 HydrophobicContact CG1-CB 3.74Å; V240-L245 HydrophobicContact CB-CD1 4.17Å; V240-L245 HydrophobicContact CB-CD2 4.06Å; V240-L245 HydrophobicContact CB-CG 3.99Å; V240-L245 HydrophobicContact CG1-CD2 4.18Å; V240-L245 HydrophobicContact CG1-CG 3.91Å; V240-L245 WeakPolarHBondContact O-CD1 3.38Å
241D80Confident69.4Low27 Ų2754.7 Ų54.714%0.14430%0.295CS..  trans-62.8138.6177.3-63.4-53.1000111.5R55 F225 D243 K244 L245R55-D241 IonicContact CZ-OD1 3.45Å; R55-D241 VanDerWaalsContact CZ-OD1 3.26Å; R55-D241 IonicContact CZ-OD2 3.12Å; R55-D241 IonicContact NH1-OD1 3.23Å; R55-D241 PolarHBondContact NH1-OD1 3.01Å; R55-D241 IonicContact NH1-OD2 3.47Å; R55-D241 PolarHBondContact NH1-OD2 3.21Å; R55-D241 IonicContact NH2-OD1 2.75Å; R55-D241 PolarHBondContact NH2-OD1 3.09Å; R55-D241 IonicContact NH2-OD2 3.55Å; R55-D241 PolarHBondContact NH2-OD2 3.08Å; F225-D241 WeakPolarHBondContact CA-OD2 3.44Å; F225-D241 PolarHBondContact O-N 2.75Å; D241-D243 VanDerWaalsContact C-N 3.32Å; D241-D243 PolarHBondContact O-N 3.5Å; D241-K244 WeakPolarHBondContact O-CA 3.44Å; D241-K244 WeakPolarHBondContact O-CB 3.41Å; D241-K244 PolarHBondContact O-N 2.95Å; D241-L245 PolarHBondContact O-N 2.82Å
242S68.3Low68.2Low2 Ų250.8 Ų50.81%0.01428%0.281CS..Hα-helixtrans-50.6-47.4-174.5174.50000112.9L19 K22 K244 L245 E246 E252L19-S242 WeakPolarHBondContact CD1-OG 3.44Å; K22-S242 WeakPolarHBondContact CE-OG 3.3Å; S242-K244 PolarHBondContact O-N 2.86Å; S242-L245 WeakPolarHBondContact O-CA 3.49Å; S242-L245 PolarHBondContact O-N 2.86Å; S242-E246 PolarHBondContact O-N 3.35Å; S242-E252 WeakPolarHBondContact CA-OE2 3.38Å
243D72.5Confident67.1Low102 Ų10247.9 Ų47.955%0.54527%0.265SS..Hα-helixtrans-52.8-32.3176.6-39.6-13000112.6D241 E247D241-D243 VanDerWaalsContact C-N 3.32Å; D241-D243 PolarHBondContact O-N 3.5Å; D243-E247 WeakPolarHBondContact O-CG 3.37Å; D243-E247 PolarHBondContact O-N 3.3Å
244K75.1Confident66Low37 Ų3749.1 Ų49.116%0.16128%0.282CS..Hα-helixtrans-88.5-18.1177.9-67.2-49.4-169.9-173.30113.9L91 F225 V240 D241 S242 E247 L248L91-K244 HydrophobicContact CD1-CB 4.17Å; F225-K244 HydrophobicContact CD1-CD 4.49Å; F225-K244 HydrophobicContact CD1-CG 3.9Å; V240-K244 HydrophobicContact CG1-CB 3.74Å; D241-K244 WeakPolarHBondContact O-CA 3.44Å; D241-K244 WeakPolarHBondContact O-CB 3.41Å; D241-K244 PolarHBondContact O-N 2.95Å; S242-K244 PolarHBondContact O-N 2.86Å; K244-E247 VanDerWaalsContact CD-OE2 3.24Å; K244-E247 WeakPolarHBondContact CD-OE2 3.32Å; K244-E247 IonicContact NZ-OE1 2.97Å; K244-E247 PolarHBondContact NZ-OE1 3.26Å; K244-E247 IonicContact NZ-OE2 3.79Å; K244-E247 PolarHBondContact NZ-OE2 3.5Å; K244-L248 WeakPolarHBondContact O-CD1 3.36Å; K244-L248 WeakPolarHBondContact O-CG 3.49Å; K244-L248 PolarHBondContact O-N 3.25Å
245L67.7Low64.5Low0 Ų052.6 Ų52.60%029%0.291CS..Hα-helixtrans-80-34.8169.7-70.2165.8000111.2V240 D241 S242 L248 G249 I250 E252V240-L245 HydrophobicContact CB-CD1 4.17Å; V240-L245 HydrophobicContact CB-CD2 4.06Å; V240-L245 HydrophobicContact CB-CG 3.99Å; V240-L245 HydrophobicContact CG1-CD2 4.18Å; V240-L245 HydrophobicContact CG1-CG 3.91Å; V240-L245 WeakPolarHBondContact O-CD1 3.38Å; D241-L245 PolarHBondContact O-N 2.82Å; S242-L245 WeakPolarHBondContact O-CA 3.49Å; S242-L245 PolarHBondContact O-N 2.86Å; L245-L248 HydrophobicContact CD2-CD1 4.4Å; L245-L248 CarbonylContact O-C 3.55Å; L245-L248 WeakPolarHBondContact O-CA 3.49Å; L245-L248 WeakPolarHBondContact O-CB 3.33Å; L245-L248 PolarHBondContact O-N 3.17Å; L245-L248 VanDerWaalsContact O-N 3.07Å; L245-G249 PolarHBondContact O-N 2.91Å; L245-I250 HydrophobicContact CB-CB 4.47Å; L245-I250 HydrophobicContact CD2-CB 4.15Å; L245-I250 HydrophobicContact CD2-CD1 3.96Å; L245-I250 HydrophobicContact CD2-CG2 4.22Å; L245-I250 PolarHBondContact O-N 3.43Å; L245-E252 HydrophobicContact CB-CG 4.28Å; L245-E252 HydrophobicContact CD1-CG 3.93Å; L245-E252 VanDerWaalsContact CD1-OE1 3.27Å; L245-E252 WeakPolarHBondContact CD1-OE1 3.49Å; L245-E252 WeakPolarHBondContact CD1-OE2 3.46Å
246E65.7Low63Low106 Ų10647.7 Ų47.750%0.49527%0.269SS..Hα-helixtrans-62.7-46.4170.2-69.1173.7165.100111.4K22 S242 L248 G249K22-E246 IonicContact NZ-OE1 3.6Å; K22-E246 PolarHBondContact NZ-OE1 3.19Å; K22-E246 IonicContact NZ-OE2 2.85Å; K22-E246 PolarHBondContact NZ-OE2 3.22Å; S242-E246 PolarHBondContact O-N 3.35Å; E246-L248 PolarHBondContact O-N 2.84Å; E246-L248 VanDerWaalsContact O-N 3.1Å; E246-G249 PolarHBondContact O-N 3.44Å
247E69.7Low61.2Low117 Ų11751.4 Ų51.455%0.54729%0.288SS..THydrogen-bonded Turntrans-58.2-21170.5-79.5179.8-156.300114D243 K244D243-E247 WeakPolarHBondContact O-CG 3.37Å; D243-E247 PolarHBondContact O-N 3.3Å; K244-E247 VanDerWaalsContact CD-OE2 3.24Å; K244-E247 WeakPolarHBondContact CD-OE2 3.32Å; K244-E247 IonicContact NZ-OE1 2.97Å; K244-E247 PolarHBondContact NZ-OE1 3.26Å; K244-E247 IonicContact NZ-OE2 3.79Å; K244-E247 PolarHBondContact NZ-OE2 3.5Å
248L62.6Low58.9Low3 Ų352 Ų522%0.01630%0.296CS..THydrogen-bonded Turntrans-95.6-2.8177.8-69.2167.6000113.6N88 L91 V168 K244 L245 E246 I250N88-L248 HydrophobicContact CB-CD2 3.41Å; N88-L248 VanDerWaalsContact CB-CD2 3.41Å; L91-L248 HydrophobicContact CB-CD1 3.68Å; L91-L248 HydrophobicContact CD1-CD1 4.21Å; V168-L248 HydrophobicContact CG1-CD2 4.45Å; V168-L248 WeakPolarHBondContact CG2-O 3.34Å; K244-L248 WeakPolarHBondContact O-CD1 3.36Å; K244-L248 WeakPolarHBondContact O-CG 3.49Å; K244-L248 PolarHBondContact O-N 3.25Å; L245-L248 HydrophobicContact CD2-CD1 4.4Å; L245-L248 CarbonylContact O-C 3.55Å; L245-L248 WeakPolarHBondContact O-CA 3.49Å; L245-L248 WeakPolarHBondContact O-CB 3.33Å; L245-L248 PolarHBondContact O-N 3.17Å; L245-L248 VanDerWaalsContact O-N 3.07Å; E246-L248 PolarHBondContact O-N 2.84Å; E246-L248 VanDerWaalsContact O-N 3.1Å; L248-I250 HydrophobicContact CB-CD1 3.9Å; L248-I250 HydrophobicContact CB-CG1 3.94Å; L248-I250 HydrophobicContact CD1-CD1 4.17Å; L248-I250 PolarHBondContact O-N 3.3Å
249G54.3Low56.7Low50 Ų5059.7 Ų59.752%0.51533%0.325SS..THydrogen-bonded Turntrans61.329.6-172.900000113.3L245 E246L245-G249 PolarHBondContact O-N 2.91Å; E246-G249 PolarHBondContact O-N 3.44Å
250I53.1Low54.7Low35 Ų3560.2 Ų60.218%0.17933%0.328CS..  trans-98.795174.6-59.8173.1000107.1L245 L248 E252L245-I250 HydrophobicContact CB-CB 4.47Å; L245-I250 HydrophobicContact CD2-CB 4.15Å; L245-I250 HydrophobicContact CD2-CD1 3.96Å; L245-I250 HydrophobicContact CD2-CG2 4.22Å; L245-I250 PolarHBondContact O-N 3.43Å; L248-I250 HydrophobicContact CB-CD1 3.9Å; L248-I250 HydrophobicContact CB-CG1 3.94Å; L248-I250 HydrophobicContact CD1-CD1 4.17Å; L248-I250 PolarHBondContact O-N 3.3Å; I250-E252 PolarHBondContact O-N 3.43Å
251A44.6Very low52.5Low63 Ų6366.4 Ų66.452%0.52135%0.354SS..  trans-67.112217300000109.8E253A251-E253 VanDerWaalsContact C-N 3.28Å; A251-E253 PolarHBondContact O-N 3.33Å
252E40.8Very low50.6Low41 Ų4171.4 Ų71.419%0.19238%0.377CS..  trans-85.262-177-50.8-16870.100112.1L19 S242 L245 I250 G254L19-E252 HydrophobicContact CD1-CB 3.81Å; L19-E252 HydrophobicContact CD1-CG 3.84Å; L19-E252 WeakPolarHBondContact CD1-OE2 3.21Å; L19-E252 HydrophobicContact CD2-CB 3.49Å; L19-E252 VanDerWaalsContact CD2-CB 3.49Å; L19-E252 HydrophobicContact CD2-CG 3.92Å; L19-E252 WeakPolarHBondContact CD2-OE1 3.06Å; L19-E252 WeakPolarHBondContact CD2-OE2 3.37Å; L19-E252 HydrophobicContact CG-CB 3.91Å; L19-E252 HydrophobicContact CG-CG 4.35Å; S242-E252 WeakPolarHBondContact CA-OE2 3.38Å; L245-E252 HydrophobicContact CB-CG 4.28Å; L245-E252 HydrophobicContact CD1-CG 3.93Å; L245-E252 VanDerWaalsContact CD1-OE1 3.27Å; L245-E252 WeakPolarHBondContact CD1-OE1 3.49Å; L245-E252 WeakPolarHBondContact CD1-OE2 3.46Å; I250-E252 PolarHBondContact O-N 3.43Å; E252-G254 PolarHBondContact O-N 3.25Å; E252-G254 VanDerWaalsContact O-N 3.17Å
253E38Very low49.3Very low124 Ų12473.3 Ų73.358%0.57939%0.393SS*.  trans-67.2110.7171.9-77.5-172-170.400111.2H165 A251 H255H165-E253 IonicContact CE1-OE1 2.78Å; H165-E253 IonicContact CE1-OE2 2.68Å; H165-E253 VanDerWaalsContact NE2-CD 3.31Å; H165-E253 IonicContact NE2-OE1 3.9Å; H165-E253 PolarHBondContact NE2-OE1 3.44Å; H165-E253 IonicContact NE2-OE2 3.86Å; H165-E253 PolarHBondContact NE2-OE2 3.12Å; A251-E253 VanDerWaalsContact C-N 3.28Å; A251-E253 PolarHBondContact O-N 3.33Å; E253-H255 PolarHBondContact O-N 3.19Å
254G40.7Very low47.7Very low50 Ų5073.5 Ų73.552%0.51539%0.393SS..SBendtrans59.7-23.7152.100000120.9E252 E256 N257E252-G254 PolarHBondContact O-N 3.25Å; E252-G254 VanDerWaalsContact O-N 3.17Å; G254-E256 VanDerWaalsContact C-N 3.33Å; G254-E256 PolarHBondContact O-N 3.2Å; G254-N257 PolarHBondContact O-N 3.46Å; G254-N257 VanDerWaalsContact O-N 3.16Å
255H38.3Very low45.8Very low136 Ų13676.3 Ų76.363%0.6341%0.407SS*.Hα-helixtrans-74.1-20.9-164.6-110-60.1000114.1E253 N257 A258 R259E253-H255 PolarHBondContact O-N 3.19Å; H255-N257 VanDerWaalsContact C-N 3.28Å; H255-N257 PolarHBondContact O-N 3.24Å; H255-A258 PolarHBondContact O-N 3.5Å; H255-R259 PolarHBondContact O-N 2.81Å
256E39.9Very low44.3Very low30 Ų3085 Ų8514%0.1445%0.445CS..Hα-helixtrans-50.8-52.2167.3-81.6-128.8132.200110.1K229 L239 G254 A258 L260K229-E256 IonicContact NZ-OE1 2.75Å; K229-E256 IonicContact NZ-OE2 3.84Å; K229-E256 PolarHBondContact NZ-OE2 3.03Å; L239-E256 WeakPolarHBondContact CD1-OE1 3.3Å; L239-E256 VanDerWaalsContact CD2-OE1 3.25Å; L239-E256 WeakPolarHBondContact CD2-OE1 3.5Å; G254-E256 VanDerWaalsContact C-N 3.33Å; G254-E256 PolarHBondContact O-N 3.2Å; E256-A258 VanDerWaalsContact C-N 3.35Å; E256-A258 PolarHBondContact O-N 2.84Å; E256-L260 WeakPolarHBondContact O-CB 3.07Å; E256-L260 WeakPolarHBondContact O-CD1 3.26Å; E256-L260 PolarHBondContact O-N 3.37Å
257N36.1Very low42.8Very low106 Ų10685.6 Ų85.657%0.56745%0.451SS*.Hα-helixtrans-70.6-30.5-175.7-73.2-29.9000112.3G254 H255 K261G254-N257 PolarHBondContact O-N 3.46Å; G254-N257 VanDerWaalsContact O-N 3.16Å; H255-N257 VanDerWaalsContact C-N 3.28Å; H255-N257 PolarHBondContact O-N 3.24Å; N257-K261 WeakPolarHBondContact O-CB 3.49Å; N257-K261 WeakPolarHBondContact O-CG 2.96Å; N257-K261 PolarHBondContact O-N 3.05Å
258A35.8Very low41Very low44 Ų4485.3 Ų85.336%0.36446%0.458SS..Hα-helixtrans-69.5-51.7176.500000112.4H255 E256 K261 E262H255-A258 PolarHBondContact O-N 3.5Å; E256-A258 VanDerWaalsContact C-N 3.35Å; E256-A258 PolarHBondContact O-N 2.84Å; A258-K261 WeakPolarHBondContact O-CB 3.31Å; A258-K261 PolarHBondContact O-N 3.03Å; A258-E262 PolarHBondContact O-N 3.47Å
259R39.5Very low39.4Very low169 Ų16994.5 Ų94.564%0.63850%0.498SS*.Hα-helixtrans-71.8-30.9179.1-80.6-176.8171.7169.30.6113H255 A263H255-R259 PolarHBondContact O-N 2.81Å; R259-A263 VanDerWaalsContact O-CB 3.32Å; R259-A263 WeakPolarHBondContact O-CB 3.44Å; R259-A263 PolarHBondContact O-N 2.97Å
260L40.7Very low38.3Very low21 Ų2196.6 Ų96.611%0.1150%0.504CS..Hα-helixtrans-71.1-35.3170.4-81.6150.3000111.8K229 L236 E256 A263 L264K229-L260 HydrophobicContact CD-CD1 3.93Å; K229-L260 HydrophobicContact CD-CD2 4.27Å; L236-L260 HydrophobicContact CD2-CD2 3.85Å; E256-L260 WeakPolarHBondContact O-CB 3.07Å; E256-L260 WeakPolarHBondContact O-CD1 3.26Å; E256-L260 PolarHBondContact O-N 3.37Å; L260-A263 PolarHBondContact O-N 3.2Å; L260-L264 HydrophobicContact CB-CD1 4.4Å; L260-L264 WeakPolarHBondContact O-CB 3.46Å; L260-L264 WeakPolarHBondContact O-CD1 3.48Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 3.49Å
261K40.3Very low37.2Very low131 Ų131105 Ų10557%0.5754%0.54SS*.Hα-helixtrans-57.1-57.5167.5-96.5-171.6157.2-168.50110.8N257 A258 A263 L264 E265N257-K261 WeakPolarHBondContact O-CB 3.49Å; N257-K261 WeakPolarHBondContact O-CG 2.96Å; N257-K261 PolarHBondContact O-N 3.05Å; A258-K261 WeakPolarHBondContact O-CB 3.31Å; A258-K261 PolarHBondContact O-N 3.03Å; K261-A263 PolarHBondContact O-N 3.12Å; K261-L264 PolarHBondContact O-N 2.91Å; K261-E265 VanDerWaalsContact CD-OE1 3.31Å; K261-E265 WeakPolarHBondContact CD-OE1 3.39Å; K261-E265 WeakPolarHBondContact CE-OE1 3.45Å; K261-E265 VanDerWaalsContact CG-OE1 3.32Å; K261-E265 WeakPolarHBondContact CG-OE1 3.44Å; K261-E265 IonicContact NZ-OE1 3.15Å; K261-E265 WeakPolarHBondContact O-CB 3.49Å; K261-E265 VanDerWaalsContact O-CG 3.22Å; K261-E265 WeakPolarHBondContact O-CG 3.28Å; K261-E265 PolarHBondContact O-N 3.4Å
262E39.5Very low36.3Very low133 Ų133107.5 Ų107.562%0.62155%0.553SS**Hα-helixtrans-55.1-40-179.2-70.2179.2142.700112.4A258 F266A258-E262 PolarHBondContact O-N 3.47Å; E262-F266 WeakPolarHBondContact O-CB 3.35Å; E262-F266 PolarHBondContact O-N 3.23Å
263A40.1Very low35.8Very low41 Ų41110.8 Ų110.834%0.33958%0.578SS.*Hα-helixtrans-76.8-25.3178.900000115.2R259 L260 K261 N267R259-A263 VanDerWaalsContact O-CB 3.32Å; R259-A263 WeakPolarHBondContact O-CB 3.44Å; R259-A263 PolarHBondContact O-N 2.97Å; L260-A263 PolarHBondContact O-N 3.2Å; K261-A263 PolarHBondContact O-N 3.12Å; A263-N267 PolarHBondContact O-ND2 2.95Å
264L38.6Very low35.2Very low106 Ų106110.9 Ų110.956%0.55559%0.593SS**Hα-helixtrans-88.5-38.4176.6-71.4165.5000111.5L260 K261 F266 N267 T268L260-L264 HydrophobicContact CB-CD1 4.4Å; L260-L264 WeakPolarHBondContact O-CB 3.46Å; L260-L264 WeakPolarHBondContact O-CD1 3.48Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 3.49Å; K261-L264 PolarHBondContact O-N 2.91Å; L264-F266 VanDerWaalsContact C-N 3.28Å; L264-F266 PolarHBondContact O-N 3.07Å; L264-N267 PolarHBondContact O-N 3.3Å; L264-T268 PolarHBondContact O-N 2.97Å; L264-T268 PolarHBondContact O-OG1 3.42Å
265E35.9Very low34.6Very low97 Ų97112 Ų11245%0.45360%0.604SS.*Hα-helixtrans-66.5-28.7177.1-69.4172.5-173.700111.7K261 N267 T268K261-E265 VanDerWaalsContact CD-OE1 3.31Å; K261-E265 WeakPolarHBondContact CD-OE1 3.39Å; K261-E265 WeakPolarHBondContact CE-OE1 3.45Å; K261-E265 VanDerWaalsContact CG-OE1 3.32Å; K261-E265 WeakPolarHBondContact CG-OE1 3.44Å; K261-E265 IonicContact NZ-OE1 3.15Å; K261-E265 WeakPolarHBondContact O-CB 3.49Å; K261-E265 VanDerWaalsContact O-CG 3.22Å; K261-E265 WeakPolarHBondContact O-CG 3.28Å; K261-E265 PolarHBondContact O-N 3.4Å; E265-N267 VanDerWaalsContact C-N 3.32Å; E265-T268 WeakPolarHBondContact CA-OG1 3.4Å; E265-T268 PolarHBondContact O-OG1 3.34Å
266F35.4Very low34.3Very low182 Ų182115.6 Ų115.680%0.79862%0.618SS**THydrogen-bonded Turntrans-70.5-23.3170.9-132-89.9000113.9E262 L264E262-F266 WeakPolarHBondContact O-CB 3.35Å; E262-F266 PolarHBondContact O-N 3.23Å; L264-F266 VanDerWaalsContact C-N 3.28Å; L264-F266 PolarHBondContact O-N 3.07Å
267N35.1Very low33.6Very low118 Ų118124 Ų12463%0.63165%0.654SS**THydrogen-bonded Turntrans-95.6-8.2-179.7-87.9-57.8000114A263 L264 E265A263-N267 PolarHBondContact O-ND2 2.95Å; L264-N267 PolarHBondContact O-N 3.3Å; E265-N267 VanDerWaalsContact C-N 3.32Å
268T31.8Very low33.3Very low111 Ų111128.6 Ų128.668%0.68167%0.669SS**SBendtrans-93.27.9179.844.50000114.5L264 E265L264-T268 PolarHBondContact O-N 2.97Å; L264-T268 PolarHBondContact O-OG1 3.42Å; E265-T268 WeakPolarHBondContact CA-OG1 3.4Å; E265-T268 PolarHBondContact O-OG1 3.34Å
269K29.9Very low32.9Very low196 Ų196135.2 Ų135.285%0.85269%0.689SS**SBendtrans-118.850.7179.2-72.5-177.7177.7172.60113.6
270S31.2Very low32.3Very low94 Ų94134.3 Ų134.366%0.65770%0.697SS**SBendtrans-149.598.4169.144.50000114.5
271K30Very low31.8Very low212 Ų212141.8 Ų141.892%0.92273%0.729SS**  trans28.8113.5150.9-63.8178.2176.5178.30119.6
272S24.7Very low31.1Very low115 Ų115144.8 Ų144.880%0.80474%0.742SS**  trans-76156.1149.753.90000110.7
273P30.1Very low30.6Very low111 Ų111145.2 Ų145.272%0.72174%0.744SS**  -15615492.538.5-18.8000119
274S26.3Very low29.9Very low126 Ų126153.1 Ų153.188%0.88177%0.77SS**  trans71.7141145.377.50000122.6
275G28Very low29.2Very low72 Ų72152.1 Ų152.174%0.74279%0.786SS**  trans14975.7151.300000122.6
276K30.9Very low28.6Very low212 Ų212153.2 Ų153.292%0.92280%0.803SS**  trans68.4101.2142.7-61.5176.1-179.7172.70123.3
277K25.8Very low28Very low206 Ų206150.8 Ų150.890%0.89680%0.803SS**  trans8.3132.9134.3-62.6174.9175.91750121.8
278K30.5Very low27.8Very low203 Ų203151 Ų15188%0.88381%0.808SS**  179.4116121-98.3171-179.3-179.60110
279K27.3Very low27.4Very low184 Ų184152.9 Ų152.980%0.881%0.814SS**  81.7107.382.6-103.9-167.6178.2-1740116.6
280N26.3Very low27.4Very low150 Ų150147.9 Ų147.980%0.80281%0.809SS**  trans47.4128.7141.8-56.15.4000122.3
281K29.3Very low27.1Very low178 Ų178153 Ų15377%0.77482%0.82SS**  -158.8167.2103.7-139.4-168.7175.6-154.70112.3E283K281-E283 WeakPolarHBondContact CE-OE1 3.45Å; K281-E283 IonicContact NZ-OE1 3.3Å; K281-E283 PolarHBondContact NZ-OE1 2.75Å; K281-E283 IonicContact NZ-OE2 3.34Å
282K26.5Very low27Very low193 Ų193154.6 Ų154.684%0.83982%0.82SS**  trans-137.9120.2-168.5175-171-172.8179.60108.5
283E28.4Very low27Very low142 Ų142159.2 Ų159.266%0.66483%0.825SS**  trans-157109.5169.2-102.1137.5-140.600105.9K281K281-E283 WeakPolarHBondContact CE-OE1 3.45Å; K281-E283 IonicContact NZ-OE1 3.3Å; K281-E283 PolarHBondContact NZ-OE1 2.75Å; K281-E283 IonicContact NZ-OE2 3.34Å
284K25.9Very low26.7Very low207 Ų207161.6 Ų161.690%0.983%0.829SS**  68.4122.184.9-79.8-167.1172.9-174.20112.4
285G23.3Very low26.6Very low85 Ų85164.5 Ų164.588%0.87683%0.828SS**  trans-86.4-177.6-168.100000114.7
286C24.7Very low26.5Very low121 Ų121169.7 Ų169.782%0.81883%0.831SS**  trans-142.1129.1167.8-157.30000109.5
287V22.8Very low26.3Very low131 Ų131164.9 Ų164.979%0.79482%0.822SS**  trans-82.2131.2169.6172.90000107.4
288V29.8Very low26.3Very low121 Ų121160.9 Ų160.973%0.73382%0.82SS**  trans-137.1106.5169.7-174.90000109.9
289D23.7Very low26.1Very low151 Ų151157.6 Ų157.681%0.80782%0.816SS**  trans-61.1130.3164.1-90.3-64.5000111.1
290A29.8Very low26.2Very low92 Ų92153.7 Ų153.776%0.7680%0.804SS**  trans-148.982.1169.900000112.2R292A290-R292 PolarHBondContact O-N 3.47Å
291K24.9Very low26.6Very low202 Ų202150.1 Ų150.188%0.87879%0.785SS**  trans-49.2125.6168.7-69.3171.1175.31720111.5
292R27.7Very low26.9Very low244 Ų244150.4 Ų150.492%0.92178%0.781SS**  trans-154.2102.6155.8-109.3157.3-161.6-162.83.7113.4A290A290-R292 PolarHBondContact O-N 3.47Å
293K23.9Very low27.3Very low212 Ų212151.2 Ų151.292%0.92278%0.779SS**  trans3.5120.9159.5-61.4177.3176.7-1780117.3
294M24.9Very low27.6Very low161 Ų161149.8 Ų149.879%0.79377%0.768SS**  trans-118.6121.1165.3-153-179.7-162.500109.1
295E23.3Very low28.3Very low187 Ų187145.7 Ų145.787%0.87475%0.751SS**PPolyproline II helixtrans-84.6131.8177.6-66.4-176.4151.900110.6
296F25.8Very low28.9Very low181 Ų181148.9 Ų148.979%0.79474%0.74SS**PPolyproline II helixtrans-102.2125.3-176.6-88.7-89.6000112.4S298F296-S298 PolarHBondContact O-N 3.35Å
297P27.4Very low29.2Very low112 Ų112147.6 Ų147.673%0.72773%0.729SS**PPolyproline II helixtrans-67.5121.2167.1-18.632.2000111.1T299P297-T299 PolarHBondContact O-N 3.03Å
298S25.2Very low29.6Very low122 Ų122148.4 Ų148.485%0.85372%0.724SS**  trans-74.1114.5-177.761.60000112.1F296F296-S298 PolarHBondContact O-N 3.35Å
299T27.6Very low29.7Very low133 Ų133146.7 Ų146.782%0.81671%0.714SS**  trans-133.887.9173.739.10000113.8P297P297-T299 PolarHBondContact O-N 3.03Å
300D29.9Very low30.1Very low102 Ų102144.3 Ų144.355%0.54570%0.701SS.*  trans66.581.9135.5-14913000120.4R302D300-R302 PolarHBondContact O-N 3.41Å; D300-R302 WeakPolarHBondContact OD1-CB 3.3Å; D300-R302 VanDerWaalsContact OD1-CG 3.27Å; D300-R302 WeakPolarHBondContact OD1-CG 3.19Å; D300-R302 PolarHBondContact OD1-N 3.16Å
301L33.8Very low30.2Very low75 Ų75144.4 Ų144.439%0.39370%0.702SS.*G310 helixtrans-55.8-12.8164.2-77.9159000114.4R303 Y304 F462 L469L301-R303 PolarHBondContact O-N 3.33Å; L301-Y304 PolarHBondContact O-N 3.27Å; L301-F462 HydrophobicContact CB-CE2 4.2Å; L301-F462 HydrophobicContact CB-CZ 4.05Å; L301-L469 HydrophobicContact CD1-CD1 4.33Å
302R36.4Very low30.5Very low184 Ų184143.4 Ų143.469%0.69470%0.7SS**G310 helixtrans-65.2-16.3-178.8-72.8177.9158.9175.1-3.8114.9D300 Y304D300-R302 PolarHBondContact O-N 3.41Å; D300-R302 WeakPolarHBondContact OD1-CB 3.3Å; D300-R302 VanDerWaalsContact OD1-CG 3.27Å; D300-R302 WeakPolarHBondContact OD1-CG 3.19Å; D300-R302 PolarHBondContact OD1-N 3.16Å; R302-Y304 VanDerWaalsContact C-N 3.34Å
303R33.6Very low30.8Very low211 Ų211141.7 Ų141.780%0.79669%0.694SS**G310 helixtrans-73.1-22.3175.6-78.1-174.5-178.41574.4114L301 F305L301-R303 PolarHBondContact O-N 3.33Å; R303-F305 PolarHBondContact O-N 2.98Å
304Y35.8Very low31.1Very low111 Ų111138.8 Ų138.844%0.43569%0.687SS.*G310 helixtrans-78.1-14.5-173.3-97.9-90.6000115.3L301 R302 R485L301-Y304 PolarHBondContact O-N 3.27Å; R302-Y304 VanDerWaalsContact C-N 3.34Å; Y304-R485 HydrophobicContact CE1-CG 4.27Å; Y304-R485 WeakPolarHBondContact OH-CD 3.21Å; Y304-R485 WeakPolarHBondContact OH-CG 3.36Å
305F39.1Very low31.4Very low121 Ų121135.6 Ų135.653%0.53168%0.681SS.*G310 helixtrans-125.923.4-172.3-64.2-78.1000113R303 F462R303-F305 PolarHBondContact O-N 2.98Å; F305-F462 HydrophobicContact CD2-CD2 4.05Å; F305-F462 HydrophobicContact CD2-CE2 4.07Å; F305-F462 HydrophobicContact CE2-CD2 4.03Å; F305-F462 HydrophobicContact CE2-CE2 4.11Å
306K36.5Very low31.8Very low152 Ų152133.2 Ų133.266%0.66167%0.674SS**  trans-109.225.2-171.3-147.6-176.9178.7-1710113.7
307T30.4Very low32.1Very low94 Ų94133 Ų13358%0.57768%0.679SS**SBendtrans-13744.1-17154.80000112.5
308E32.3Very low32Very low149 Ų149130.9 Ų130.970%0.69668%0.678SS**SBendtrans-131.4-5.3173.4-73.6177.4173.200113.6
309T32.6Very low32.1Very low84 Ų84132.1 Ų132.152%0.51568%0.675SS.*SBendtrans-124.2-6.7-174.159.40000116
310D31.6Very low32.3Very low102 Ų102137.9 Ų137.955%0.54568%0.681SS.*SBendtrans-101.67.7-171.7-68.4-5.1000112.8
311A31.4Very low32.3Very low94 Ų94139.8 Ų139.878%0.77769%0.692SS**SBendtrans-82.3-19.2-17600000114.6
312E32.1Very low32Very low180 Ų180147.6 Ų147.684%0.84172%0.716SS**SBendtrans-11220.1-170.8-62.5-176.3148.700114.1
313R33.1Very low31.6Very low209 Ų209145 Ų14579%0.78973%0.725SS**  trans-123.327.7-176.8-68.5-170.8-178.3168.54.7115.1
314I30.9Very low31.3Very low150 Ų150138.4 Ų138.477%0.76972%0.722SS**SBendtrans-121.260.3176.4-45.2-177.5000109.8
315S31.8Very low30.9Very low95 Ų95142.8 Ų142.866%0.66474%0.744SS**SBendtrans-133.6-42.316852.60000110.7
316D30.2Very low30.6Very low137 Ų137145.7 Ų145.773%0.73376%0.756SS**SBendtrans-108.989.9-176-57.7-50.4000113
317I31.6Very low30.1Very low176 Ų176146 Ų14690%0.90377%0.765SS**  trans-165.954.6144.8-90.1142.7000107.4
318G26.5Very low30.1Very low68 Ų68146.3 Ų146.370%0.70177%0.771SS**  trans-81.8143.715000000109.1
319N27.8Very low30Very low147 Ų147148 Ų14879%0.78678%0.779SS**  trans67.682.4159.7-15610.7000118.9
320R31.4Very low29.7Very low254 Ų254148.9 Ų148.996%0.95879%0.789SS**  trans-137.973.7142.7-80.9-163.2-176.1-176.22111.9
321N29.1Very low29.4Very low143 Ų143148.9 Ų148.977%0.76580%0.803SS**  trans-76.4134.8153.5-83.6-28.4000109.4
322R28.5Very low29.4Very low238 Ų238149 Ų14990%0.89880%0.804SS**  trans173.2138.9133.1-99.4171.6-167.7-159.33.4113.9
323C27.3Very low29.2Very low131 Ų131145.9 Ų145.989%0.88580%0.802SS**  trans55.7139.2154.2-61.60000120.1
324G27.2Very low29.1Very low72 Ų72140.8 Ų140.874%0.74280%0.798SS**  cis139134.2-1000000115.1
325K28.5Very low29Very low202 Ų202140.3 Ų140.388%0.87880%0.797SS**  trans84.4138.8150.9-97.2176-179.9175.70121.9
326K31.7Very low29.1Very low183 Ų183143.3 Ų143.380%0.79681%0.806SS**  trans82.1115.2162.3-60.9171.1-178.4-1730115.7
327N26.3Very low29.1Very low158 Ų158144.8 Ų144.885%0.84581%0.808SS**  cis88.311142.2-74.427.3000113.7
328S31.2Very low29Very low101 Ų101142.1 Ų142.171%0.70680%0.8SS**  trans165.9120.8130.658.40000108.2
329E28.8Very low29.1Very low184 Ų184144.1 Ų144.186%0.8680%0.799SS**  70.2143.3101.5-65.6166.5-170.500114.6
330S27.3Very low29.2Very low103 Ų103148.1 Ų148.172%0.7280%0.803SS**  cis-171.9149.2-16.251.20000110.6
331A25.8Very low29.3Very low102 Ų102140 Ų14084%0.84379%0.785SS**  trans60.1159.3146.800000124
332A30.6Very low29.4Very low96 Ų96139.3 Ų139.379%0.79379%0.787SS**  trans92.898.3157.200000121
333S28.4Very low29.7Very low115 Ų115132.7 Ų132.780%0.80478%0.776SS**  26135.3117.7-143.90000118.3
334S31.4Very low30.1Very low102 Ų102131.2 Ų131.271%0.71377%0.768SS**  179.5157.354.452.20000113.1
335N28.6Very low30.5Very low139 Ų139136.4 Ų136.474%0.74377%0.77SS**  trans-5.3139.6157.7-50.6-14.7000120.4
336N34.1Very low30.4Very low158 Ų158138.1 Ų138.185%0.84577%0.771SS**  -168.4147.4100.5-97-16000114.8
337E28.9Very low30.3Very low169 Ų169133.5 Ų133.579%0.7977%0.767SS**  trans-67.4161.4166.1-61.4165.8107.900109.9
338T30.8Very low30.4Very low119 Ų119130.2 Ų130.273%0.7376%0.761SS**  -174.4154.568.99.30000112.9
339T28.1Very low30.2Very low110 Ų110130.9 Ų130.968%0.67577%0.766SS**  trans13134147.163.70000119.4
340R30.1Very low30.2Very low231 Ų231126.5 Ų126.587%0.87276%0.761SS**  171.9163.965.4-115.9145.2173.5-171.3-1.7106.9
341S32.7Very low30.2Very low84 Ų84126.8 Ų126.859%0.58776%0.763SS**  cis-176.3167.1-24.953.70000109.9
342T31.9Very low30.3Very low129 Ų129130.2 Ų130.279%0.79176%0.759SS**  trans63.7142.4153.545.50000119.9
343S33.5Very low30.2Very low98 Ų98133.7 Ų133.769%0.68576%0.759SS**  cis-168156.62.249.40000114.5
344S35.8Very low30.2Very low100 Ų100135.3 Ų135.370%0.69975%0.754SS**  trans69.5150.3147.679.70000119.1
345K35.4Very low30Very low181 Ų181136.4 Ų136.479%0.78775%0.751SS**  cis-149.8138.3-4.3-111.1148.2-174.9173.80106.2
346R27.8Very low29.9Very low239 Ų239137.7 Ų137.790%0.90276%0.757SS**  45.4142.198.4-68.3-173.6179-177.50.5115.8
347A28.5Very low29.6Very low86 Ų86133.2 Ų133.271%0.71175%0.748SS**  cis-172.7155.6-13.600000111.2
348A28Very low29.7Very low88 Ų88134.1 Ų134.173%0.72775%0.752SS**  trans69.3128.4136.500000124.2
349S28.1Very low29.6Very low115 Ų115135 Ų13580%0.80475%0.752SS**  trans54.5120.5137.762.40000122
350A28.1Very low29.6Very low92 Ų92135.7 Ų135.776%0.7676%0.757SS**  160.1131.2100.100000114.2
351S28Very low29.6Very low110 Ų110129.7 Ų129.777%0.76975%0.751SS**  trans46.9126.5140.9-60.90000124.4
352K28.2Very low29.3Very low173 Ų173133.2 Ų133.275%0.75276%0.761SS**  trans74.9128138-78.8-179171.8-177.10120.8
353Q28.1Very low29.2Very low169 Ų169133.3 Ų133.379%0.7976%0.761SS**  trans69.6149.7141.7-69.5166.6-35.300115.6
354H27.9Very low29.1Very low150 Ų150133.4 Ų133.469%0.69476%0.762SS**  cis-175.8151.2-8.8165.8-106.1000107.3
355L27.2Very low29Very low125 Ų125136 Ų13665%0.65477%0.768SS**  trans67.3127.8173.1-95.338.7000116.7
356L26.1Very low28.9Very low165 Ų165135.8 Ų135.886%0.86477%0.767SS**  90.1142.570.5-76.1-167.6000114.1
357G29.4Very low29.1Very low65 Ų65130.1 Ų130.167%0.6776%0.759SS**  trans96.6104.5-177.400000111.5
358E29.1Very low29.4Very low187 Ų187134.3 Ų134.387%0.87477%0.769SS**  88.613261.3-74.8-177.715400114.7
359D28.8Very low29.5Very low137 Ų137140 Ų14073%0.73377%0.771SS**  trans71.1101.3153.1-61.9-5.8000124.8
360T29.9Very low30Very low125 Ų125140.3 Ų140.377%0.76777%0.773SS**  37.1122.7125.761.70000122.6
361S29.1Very low30.3Very low106 Ų106143.7 Ų143.774%0.74177%0.771SS**  -176.1139.1116.334.40000112.2
362I27.4Very low30.6Very low158 Ų158144.9 Ų144.981%0.8178%0.778SS**  46.7123.2102.7-30.9172.7000112
363V29.6Very low30.7Very low131 Ų131142.4 Ų142.479%0.79478%0.781SS**  -159.7159.660.9175.20000111.7
364S31.2Very low31Very low100 Ų100139 Ų13970%0.69978%0.782SS**  trans-75.7164.7176.952.20000116.7
365D33.8Very low31Very low154 Ų154137.8 Ų137.882%0.82479%0.785SS**  -151.7160.8128.9-142.2-13.2000114.9
366K31.9Very low31.4Very low177 Ų177135.6 Ų135.677%0.7778%0.78SS**  trans-106.9163.3168.3-63.5168.7-176.9167.30106.9
367T33.3Very low32.1Very low119 Ų119133.2 Ų133.273%0.7377%0.774SS**  168.6150.365-44.20000106.7
368L34.1Very low32.5Very low175 Ų175133.2 Ų133.292%0.91677%0.769SS**  trans-178.8156.4130.9-99.1161.2000111
369R31.2Very low32.9Very low207 Ų207130.4 Ų130.478%0.78176%0.755SS**  trans-154.1142.3-160.2-170.8-172.1-166.2-155.27.5110.3
370S37.9Very low33.2Very low121 Ų121130.8 Ų130.885%0.84675%0.753SS**  trans-142.8159.4157.1660000110.7
371K34.7Very low33.6Very low163 Ų163127.3 Ų127.371%0.70974%0.736SS**  trans-115.6156.9-169.2-78.3176.3165.6-176.30111.1
372C33.6Very low34.2Very low136 Ų136124.6 Ų124.692%0.91972%0.721SS**  -158.4165.4128.9-109.30000110.9
373C30.4Very low34.7Very low120 Ų120124.1 Ų124.181%0.81172%0.715SS**  trans-111.2149.9-149.3-53.30000115.8
374A33.7Very low35.2Very low99 Ų99122.7 Ų122.782%0.81870%0.702SS**  trans-161.6136139.700000109.2
375T29.4Very low35.7Very low124 Ų124123.1 Ų123.176%0.76170%0.695SS**  trans-81.2145.3-173.241.40000112.6
376S35.8Very low36.1Very low78 Ų78120.3 Ų120.355%0.54568%0.684SS.*  trans-155.2166.1176.172.40000111.4A378 E379S376-A378 PolarHBondContact O-N 3.04Å; S376-E379 PolarHBondContact O-N 2.81Å
377P39.9Very low36.7Very low115 Ų115116.6 Ų116.675%0.74768%0.68SS**THydrogen-bonded Turntrans-62.913.1-171-24.635.6000117.6
378A37.2Very low37.1Very low66 Ų66115.3 Ų115.355%0.54567%0.668SS.*Hα-helixtrans-83.2-21.2175.200000113.7S376 A382S376-A378 PolarHBondContact O-N 3.04Å; A378-A382 PolarHBondContact O-N 2.96Å
379E37.7Very low37.2Very low128 Ų128111.3 Ų111.360%0.59865%0.654SS**Hα-helixtrans-74.9-39-178.6-71.9-179.2132.900112.3S376 A381 A382 E383S376-E379 PolarHBondContact O-N 2.81Å; E379-A381 VanDerWaalsContact C-N 3.31Å; E379-A381 PolarHBondContact O-N 2.86Å; E379-A382 WeakPolarHBondContact O-CA 3.09Å; E379-A382 WeakPolarHBondContact O-CB 3.46Å; E379-A382 PolarHBondContact O-N 2.78Å; E379-E383 PolarHBondContact O-N 2.85Å
380E34.9Very low37.2Very low145 Ų145105.9 Ų105.968%0.67865%0.647SS**Hα-helixtrans-62.2-38.5174.5-166.8174-155.800111.8A382 I384E380-A382 VanDerWaalsContact C-N 3.27Å; E380-A382 PolarHBondContact O-N 2.92Å; E380-I384 WeakPolarHBondContact O-CG1 3.1Å; E380-I384 PolarHBondContact O-N 2.8Å
381A39Very low36.9Very low51 Ų51105.6 Ų105.642%0.42164%0.643SS.*Hα-helixtrans-69.1-22.7172.100000113.3E379 I385E379-A381 VanDerWaalsContact C-N 3.31Å; E379-A381 PolarHBondContact O-N 2.86Å; A381-I385 VanDerWaalsContact O-CD1 3.31Å; A381-I385 WeakPolarHBondContact O-CD1 3.16Å; A381-I385 VanDerWaalsContact O-CG1 3.24Å; A381-I385 WeakPolarHBondContact O-CG1 3.25Å; A381-I385 PolarHBondContact O-N 2.92Å
382A41Very low36.6Very low50 Ų50103.9 Ų103.941%0.41365%0.648SS.*Hα-helixtrans-80.4-39.3177.900000112A378 E379 E380 I385 T386A378-A382 PolarHBondContact O-N 2.96Å; E379-A382 WeakPolarHBondContact O-CA 3.09Å; E379-A382 WeakPolarHBondContact O-CB 3.46Å; E379-A382 PolarHBondContact O-N 2.78Å; E380-A382 VanDerWaalsContact C-N 3.27Å; E380-A382 PolarHBondContact O-N 2.92Å; A382-I385 PolarHBondContact O-N 3.35Å; A382-I385 VanDerWaalsContact O-N 3.15Å; A382-T386 PolarHBondContact O-N 3.12Å; A382-T386 PolarHBondContact O-OG1 3.13Å
383E38Very low36.5Very low147 Ų147107.2 Ų107.269%0.68765%0.647SS**Hα-helixtrans-65.4-38.6175.3-73.1-167.5135.700112.8E379 I385 T386 S387E379-E383 PolarHBondContact O-N 2.85Å; E383-I385 PolarHBondContact O-N 3.06Å; E383-T386 WeakPolarHBondContact CA-OG1 3.49Å; E383-T386 PolarHBondContact O-N 3.45Å; E383-T386 PolarHBondContact O-OG1 2.97Å; E383-T386 VanDerWaalsContact O-OG1 3.12Å; E383-S387 WeakPolarHBondContact O-CB 3.46Å; E383-S387 PolarHBondContact O-N 2.93Å
384I40.4Very low36.4Very low102 Ų102106.5 Ų106.552%0.52365%0.649SS.*Hα-helixtrans-61.8-34.8172.9-65.4167.9000110.8E380 I388E380-I384 WeakPolarHBondContact O-CG1 3.1Å; E380-I384 PolarHBondContact O-N 2.8Å; I384-I388 HydrophobicContact CG2-CD1 4.01Å; I384-I388 WeakPolarHBondContact O-CD1 3.06Å; I384-I388 VanDerWaalsContact O-CG1 3.23Å; I384-I388 WeakPolarHBondContact O-CG1 3.39Å
385I41.6Very low36.3Very low108 Ų108111.1 Ų111.155%0.55465%0.651SS**Hα-helixtrans-77.1-37.3179.2-70.8170.5000111.9A381 A382 E383 I388 C389A381-I385 VanDerWaalsContact O-CD1 3.31Å; A381-I385 WeakPolarHBondContact O-CD1 3.16Å; A381-I385 VanDerWaalsContact O-CG1 3.24Å; A381-I385 WeakPolarHBondContact O-CG1 3.25Å; A381-I385 PolarHBondContact O-N 2.92Å; A382-I385 PolarHBondContact O-N 3.35Å; A382-I385 VanDerWaalsContact O-N 3.15Å; E383-I385 PolarHBondContact O-N 3.06Å; I385-I388 PolarHBondContact O-N 3.2Å; I385-C389 WeakPolarHBondContact O-CB 3.15Å; I385-C389 PolarHBondContact O-N 3.11Å; I385-C389 PolarHBondContact O-SG 3.22Å
386T42.7Very low36.2Very low95 Ų95114.8 Ų114.858%0.58366%0.66SS**Hα-helixtrans-72.2-35.6177.147.30000112.8A382 E383 I388 C389A382-T386 PolarHBondContact O-N 3.12Å; A382-T386 PolarHBondContact O-OG1 3.13Å; E383-T386 WeakPolarHBondContact CA-OG1 3.49Å; E383-T386 PolarHBondContact O-N 3.45Å; E383-T386 PolarHBondContact O-OG1 2.97Å; E383-T386 VanDerWaalsContact O-OG1 3.12Å; T386-I388 VanDerWaalsContact C-N 3.27Å; T386-I388 PolarHBondContact O-N 2.92Å; T386-C389 PolarHBondContact O-N 2.98Å
387S44Very low36Very low99 Ų99122.3 Ų122.369%0.69268%0.676SS**Hα-helixtrans-57.7-38.7172.2-1780000112.5E383E383-S387 WeakPolarHBondContact O-CB 3.46Å; E383-S387 PolarHBondContact O-N 2.93Å
388I41.5Very low35.7Very low92 Ų92127.3 Ų127.347%0.47269%0.686SS.*Hα-helixtrans-83.2-15.7-176.3-65168.8000113.1I384 I385 T386 K410I384-I388 HydrophobicContact CG2-CD1 4.01Å; I384-I388 WeakPolarHBondContact O-CD1 3.06Å; I384-I388 VanDerWaalsContact O-CG1 3.23Å; I384-I388 WeakPolarHBondContact O-CG1 3.39Å; I385-I388 PolarHBondContact O-N 3.2Å; T386-I388 VanDerWaalsContact C-N 3.27Å; T386-I388 PolarHBondContact O-N 2.92Å; I388-K410 VanDerWaalsContact CD1-NZ 3.31Å
389C35.7Very low35.9Very low92 Ų92127.1 Ų127.162%0.62268%0.678SS**THydrogen-bonded Turntrans-95.67.6-170.7-72.80000115.9I385 T386 P391I385-C389 WeakPolarHBondContact O-CB 3.15Å; I385-C389 PolarHBondContact O-N 3.11Å; I385-C389 PolarHBondContact O-SG 3.22Å; T386-C389 PolarHBondContact O-N 2.98Å; C389-P391 WeakPolarHBondContact O-CD 3.5Å
390S32.4Very low36.4Very low93 Ų93125.4 Ų125.465%0.6568%0.68SS**SBendtrans-83.8117.9171.1-69.90000110.9P392S390-P392 WeakPolarHBondContact O-CD 3.36Å
391P30.3Very low37.1Very low115 Ų115124.7 Ų124.775%0.74768%0.677SS**PPolyproline II helixtrans-72.2123-179.427-31.1000110.7C389 K393C389-P391 WeakPolarHBondContact O-CD 3.5Å; P391-K393 PolarHBondContact O-N 3.5Å
392P30.3Very low37.8Very low126 Ų126124.9 Ų124.982%0.81868%0.684SS**PPolyproline II helixtrans-66127.6172.927.2-32.5000109.1S390 A394S390-P392 WeakPolarHBondContact O-CD 3.36Å; P392-A394 PolarHBondContact O-N 3.29Å
393K31.2Very low39Very low206 Ų206126.2 Ų126.290%0.89668%0.682SS**PPolyproline II helixtrans-56.4134.5-179.6-71.6177.3177.2176.60110.4P391 K395P391-K393 PolarHBondContact O-N 3.5Å; K393-K395 PolarHBondContact O-N 3.04Å
394A27.9Very low40.8Very low105 Ų105119.9 Ų119.987%0.86865%0.652SS**SBendtrans-58.6106.2-173.300000113P392P392-A394 PolarHBondContact O-N 3.29Å
395K30.6Very low42.7Very low197 Ų197118.8 Ų118.886%0.85765%0.648SS**  trans-144.3138.8157.6-85.2-173.6177.2179.10108.8K393 R397K393-K395 PolarHBondContact O-N 3.04Å; K395-R397 PolarHBondContact O-N 2.89Å
396Q28.9Very low44.6Very low201 Ų201115.7 Ų115.794%0.93964%0.642SS**  trans-58.1125.9-178.8-64.9165.1-26.500110.9
397R30.4Very low46.7Very low235 Ų235113.1 Ų113.189%0.88762%0.622SS**  trans-134.4130.1165.2-90.5-175.4163.1173.4-5.9109.1K395K395-R397 PolarHBondContact O-N 2.89Å
398K34Very low48.6Very low220 Ų220109.3 Ų109.396%0.95759%0.593SS**PPolyproline II helixtrans-71.5122.7169.3-64.5176.3178.4178.90107.2
399T41.9Very low50.7Low62 Ų62109 Ų10938%0.3860%0.599SS.*PPolyproline II helixtrans-96.2140.6-179.353.90000111.4E403T399-E403 VanDerWaalsContact CB-CD 3.43Å; T399-E403 WeakPolarHBondContact CB-OE2 3.46Å; T399-E403 WeakPolarHBondContact CG2-OE1 3.23Å; T399-E403 VanDerWaalsContact CG2-OE2 3.27Å; T399-E403 WeakPolarHBondContact CG2-OE2 3.38Å; T399-E403 PolarHBondContact OG1-OE2 3.43Å
400S47.7Very low53Low92 Ų92109.3 Ų109.364%0.64359%0.59SS**PPolyproline II helixtrans-92.8164.8-173.250.80000112.2G402 E403S400-G402 PolarHBondContact O-N 2.7Å; S400-G402 VanDerWaalsContact O-N 3.09Å; S400-E403 PolarHBondContact O-N 3.37Å; S400-E403 VanDerWaalsContact O-N 3.13Å
401E48.8Very low55.7Low131 Ų131105 Ų10561%0.61256%0.56SS**THydrogen-bonded Turntrans-59.7-25.6-171.2-62.9-171.5121.600114.4E403 I404 K446E401-E403 PolarHBondContact O-N 3.16Å; E401-E403 VanDerWaalsContact O-N 3.13Å; E401-I404 WeakPolarHBondContact O-CB 3.26Å; E401-I404 PolarHBondContact O-N 3.14Å; E401-K446 IonicContact OE1-NZ 3.88Å; E401-K446 PolarHBondContact OE1-NZ 3.3Å
402G54.7Low58.4Low55 Ų55101.2 Ų101.257%0.56754%0.539SS*.Hα-helixtrans-62.1-16.6176.600000115.3S400 I404S400-G402 PolarHBondContact O-N 2.7Å; S400-G402 VanDerWaalsContact O-N 3.09Å; G402-I404 VanDerWaalsContact C-N 3.33Å
403E65.9Low61Low77 Ų77102 Ų10236%0.3653%0.531SS..Hα-helixtrans-70.4-28.8172.2-71.4-170.8-178.100112.7T399 S400 E401 G406 W407T399-E403 VanDerWaalsContact CB-CD 3.43Å; T399-E403 WeakPolarHBondContact CB-OE2 3.46Å; T399-E403 WeakPolarHBondContact CG2-OE1 3.23Å; T399-E403 VanDerWaalsContact CG2-OE2 3.27Å; T399-E403 WeakPolarHBondContact CG2-OE2 3.38Å; T399-E403 PolarHBondContact OG1-OE2 3.43Å; S400-E403 PolarHBondContact O-N 3.37Å; S400-E403 VanDerWaalsContact O-N 3.13Å; E401-E403 PolarHBondContact O-N 3.16Å; E401-E403 VanDerWaalsContact O-N 3.13Å; E403-G406 PolarHBondContact O-N 3.35Å; E403-W407 HydrophobicContact CB-CH2 4.43Å; E403-W407 HydrophobicContact CB-CZ2 3.94Å; E403-W407 PolarHBondContact O-N 3.1Å; E403-W407 WeakPolarHBondContact OE2-CZ2 3.49Å
404I75.9Confident63.6Low14 Ų1494 Ų947%0.07250%0.498CS..Hα-helixtrans-69-49.5-176.5-59.2177000110.2E401 G402 G406 W407 E408 Q443 K446 F447E401-I404 WeakPolarHBondContact O-CB 3.26Å; E401-I404 PolarHBondContact O-N 3.14Å; G402-I404 VanDerWaalsContact C-N 3.33Å; I404-G406 PolarHBondContact O-N 2.68Å; I404-W407 PolarHBondContact O-N 3.31Å; I404-W407 VanDerWaalsContact O-N 3.12Å; I404-E408 WeakPolarHBondContact O-CB 3.46Å; I404-E408 PolarHBondContact O-N 3.44Å; I404-Q443 HydrophobicContact CD1-CB 4.24Å; I404-Q443 HydrophobicContact CD1-CG 4.31Å; I404-K446 HydrophobicContact CD1-CB 4.03Å; I404-K446 HydrophobicContact CD1-CD 3.98Å; I404-F447 HydrophobicContact CG2-CD2 3.99Å; I404-F447 HydrophobicContact CG2-CE2 3.91Å; I404-F447 HydrophobicContact CG2-CZ 4.37Å
405D79.4Confident66.2Low80 Ų8091.6 Ų91.643%0.42847%0.466SS..Hα-helixtrans-58.8-37.3176.1-79.1-41.8000111.9E408 S409 K448D405-E408 PolarHBondContact O-N 2.93Å; D405-S409 WeakPolarHBondContact O-CB 3.38Å; D405-S409 PolarHBondContact O-N 3.32Å; D405-K448 IonicContact OD1-NZ 2.76Å; D405-K448 PolarHBondContact OD1-NZ 3.27Å; D405-K448 IonicContact OD2-NZ 3.23Å
406G83Confident68.4Low43 Ų4386 Ų8644%0.44345%0.452SS..Hα-helixtrans-65.5-39.8175.100000113.5E403 I404 K410E403-G406 PolarHBondContact O-N 3.35Å; I404-G406 PolarHBondContact O-N 2.68Å; G406-K410 WeakPolarHBondContact O-CB 3.43Å; G406-K410 PolarHBondContact O-N 2.92Å
407W85.7Confident70.4Confident41 Ų4177.1 Ų77.116%0.15541%0.414CS..Hα-helixtrans-70.4-41.8173.7-60.4-16.8000111.8E403 I404 K410 L411 V435 I438 F447E403-W407 HydrophobicContact CB-CH2 4.43Å; E403-W407 HydrophobicContact CB-CZ2 3.94Å; E403-W407 PolarHBondContact O-N 3.1Å; E403-W407 WeakPolarHBondContact OE2-CZ2 3.49Å; I404-W407 PolarHBondContact O-N 3.31Å; I404-W407 VanDerWaalsContact O-N 3.12Å; W407-K410 PolarHBondContact O-N 2.81Å; W407-L411 WeakPolarHBondContact O-CB 3.42Å; W407-L411 WeakPolarHBondContact O-CG 3.49Å; W407-L411 PolarHBondContact O-N 3.47Å; W407-V435 HydrophobicContact CB-CG2 4.07Å; W407-V435 HydrophobicContact CD2-CG1 4.43Å; W407-V435 HydrophobicContact CD2-CG2 4.29Å; W407-V435 HydrophobicContact CE3-CG1 3.97Å; W407-V435 HydrophobicContact CG-CG2 4.03Å; W407-I438 HydrophobicContact CH2-CD1 4.11Å; W407-I438 HydrophobicContact CH2-CG1 4Å; W407-I438 HydrophobicContact CZ2-CD1 3.47Å; W407-I438 VanDerWaalsContact CZ2-CD1 3.47Å; W407-I438 HydrophobicContact CZ2-CG1 3.89Å; W407-F447 HydrophobicContact CB-CE1 4.32Å; W407-F447 HydrophobicContact CB-CZ 3.97Å; W407-F447 HydrophobicContact CE3-CE2 4.44Å; W407-F447 HydrophobicContact CE3-CZ 4.16Å
408E85.2Confident72.2Confident18 Ų1869.6 Ų69.68%0.08439%0.386CS..Hα-helixtrans-62.9-50.5-178.7176.9151.8-148.200111.9I404 D405 K410 L411 A412 F447 K448 N449I404-E408 WeakPolarHBondContact O-CB 3.46Å; I404-E408 PolarHBondContact O-N 3.44Å; D405-E408 PolarHBondContact O-N 2.93Å; E408-K410 VanDerWaalsContact C-N 3.3Å; E408-K410 PolarHBondContact O-N 3.07Å; E408-L411 PolarHBondContact O-N 2.8Å; E408-A412 WeakPolarHBondContact O-CB 3.37Å; E408-A412 PolarHBondContact O-N 2.84Å; E408-F447 HydrophobicContact CB-CD1 3.78Å; E408-F447 HydrophobicContact CB-CE1 3.8Å; E408-F447 HydrophobicContact CG-CD1 4.09Å; E408-K448 VanDerWaalsContact CD-N 3.3Å; E408-K448 WeakPolarHBondContact OE1-CA 3.5Å; E408-K448 WeakPolarHBondContact OE1-CB 3.27Å; E408-K448 PolarHBondContact OE1-N 3.17Å; E408-K448 PolarHBondContact OE2-N 2.87Å; E408-N449 WeakPolarHBondContact OE1-CB 3.48Å; E408-N449 PolarHBondContact OE1-N 3.42Å
409S84.6Confident73.5Confident86 Ų8670.2 Ų70.260%0.60138%0.382SS*.Hα-helixtrans-56-44.6176.1-178.80000111.9D405 A412 Q413D405-S409 WeakPolarHBondContact O-CB 3.38Å; D405-S409 PolarHBondContact O-N 3.32Å; S409-A412 PolarHBondContact O-N 2.9Å; S409-Q413 PolarHBondContact O-N 3.1Å
410K84.9Confident74.7Confident98 Ų9873.9 Ų73.943%0.42640%0.4SS..Hα-helixtrans-68.5-37.1179.2-165.9165.8-168.6160.60113.2I388 G406 W407 E408 L414I388-K410 VanDerWaalsContact CD1-NZ 3.31Å; G406-K410 WeakPolarHBondContact O-CB 3.43Å; G406-K410 PolarHBondContact O-N 2.92Å; W407-K410 PolarHBondContact O-N 2.81Å; E408-K410 VanDerWaalsContact C-N 3.3Å; E408-K410 PolarHBondContact O-N 3.07Å; K410-L414 WeakPolarHBondContact O-CG 3.39Å; K410-L414 PolarHBondContact O-N 3.14Å
411L89Confident75.9Confident2 Ų271.4 Ų71.41%0.0139%0.388CS..Hα-helixtrans-71.9-36.4174.6-73.5178.4000111.8W407 E408 L414 W415 Y428 A432 V435 F447 I452 L456W407-L411 WeakPolarHBondContact O-CB 3.42Å; W407-L411 WeakPolarHBondContact O-CG 3.49Å; W407-L411 PolarHBondContact O-N 3.47Å; E408-L411 PolarHBondContact O-N 2.8Å; L411-L414 CarbonylContact O-C 3.55Å; L411-L414 PolarHBondContact O-N 2.75Å; L411-W415 VanDerWaalsContact O-CB 3.3Å; L411-W415 WeakPolarHBondContact O-CB 3.21Å; L411-W415 PolarHBondContact O-N 3.23Å; L411-Y428 HydrophobicContact CB-CE2 4.23Å; L411-Y428 HydrophobicContact CD2-CD2 4.1Å; L411-Y428 HydrophobicContact CD2-CE2 3.81Å; L411-A432 HydrophobicContact CD2-CB 4.24Å; L411-V435 HydrophobicContact CD1-CG2 4.16Å; L411-F447 HydrophobicContact CD1-CE1 4.08Å; L411-I452 HydrophobicContact CB-CD1 4.17Å; L411-I452 HydrophobicContact CB-CG2 4.01Å; L411-I452 HydrophobicContact CD1-CG2 3.84Å; L411-L456 HydrophobicContact CD1-CD1 3.83Å; L411-L456 HydrophobicContact CD1-CD2 3.97Å; L411-L456 HydrophobicContact CD1-CG 4.34Å
412A86.3Confident77.2Confident37 Ų3770.2 Ų70.231%0.30638%0.383SS..Hα-helixtrans-63.9-42.7175.400000112.1E408 S409 L414 W415 S416 I452E408-A412 WeakPolarHBondContact O-CB 3.37Å; E408-A412 PolarHBondContact O-N 2.84Å; S409-A412 PolarHBondContact O-N 2.9Å; A412-L414 VanDerWaalsContact C-N 3.3Å; A412-L414 PolarHBondContact O-N 3.04Å; A412-W415 PolarHBondContact O-N 3.26Å; A412-S416 PolarHBondContact O-N 3.16Å; A412-S416 PolarHBondContact O-OG 3.17Å; A412-I452 HydrophobicContact CB-CD1 4.12Å
413Q84.4Confident78.2Confident142 Ų14276.8 Ų76.866%0.66440%0.396SS*.Hα-helixtrans-60.2-38.4173.7-167.1-175.125.500112.3S409 S416S409-Q413 PolarHBondContact O-N 3.1Å; Q413-S416 PolarHBondContact O-OG 3.07Å; Q413-S416 VanDerWaalsContact O-OG 3.07Å
414L85.9Confident78.7Confident37 Ų3774.3 Ų74.319%0.19439%0.388CS..Hα-helixtrans-79-26.9176.7-68.9172.3000113.1K410 L411 A412 R418 A427 Y428 S431K410-L414 WeakPolarHBondContact O-CG 3.39Å; K410-L414 PolarHBondContact O-N 3.14Å; L411-L414 CarbonylContact O-C 3.55Å; L411-L414 PolarHBondContact O-N 2.75Å; A412-L414 VanDerWaalsContact C-N 3.3Å; A412-L414 PolarHBondContact O-N 3.04Å; L414-R418 PolarHBondContact O-N 3.42Å; L414-A427 HydrophobicContact CD2-CB 3.88Å; L414-Y428 HydrophobicContact CB-CD2 3.93Å; L414-Y428 HydrophobicContact CB-CG 4.46Å; L414-S431 WeakPolarHBondContact CD1-OG 3.28Å
415W82.6Confident78.8Confident55 Ų5577.2 Ų77.221%0.20840%0.401CS..Hα-helixtrans-71.2-44.7176.6-170.9-102.2000111.6L411 A412 G417 R418 Y428 D451 I452 D455L411-W415 VanDerWaalsContact O-CB 3.3Å; L411-W415 WeakPolarHBondContact O-CB 3.21Å; L411-W415 PolarHBondContact O-N 3.23Å; A412-W415 PolarHBondContact O-N 3.26Å; W415-G417 VanDerWaalsContact C-N 3.34Å; W415-G417 PolarHBondContact O-N 2.67Å; W415-R418 WeakPolarHBondContact O-CB 3.3Å; W415-R418 PolarHBondContact O-N 3.31Å; W415-R418 VanDerWaalsContact O-N 3.13Å; W415-Y428 HydrophobicContact CB-CD2 4.48Å; W415-Y428 HydrophobicContact CB-CE2 4.4Å; W415-Y428 HydrophobicContact CE3-CD1 4.41Å; W415-Y428 HydrophobicContact CE3-CD2 4.16Å; W415-Y428 AromaticContact CE3-CE1 3.83Å; W415-Y428 HydrophobicContact CE3-CE1 3.83Å; W415-Y428 AromaticContact CE3-CE2 3.54Å; W415-Y428 HydrophobicContact CE3-CE2 3.54Å; W415-Y428 AromaticContact CE3-CZ 3.36Å; W415-Y428 AromaticContact CZ3-CE1 3.76Å; W415-Y428 HydrophobicContact CZ3-CE1 3.76Å; W415-Y428 HydrophobicContact CZ3-CE2 4.2Å; W415-Y428 AromaticContact CZ3-CZ 3.53Å; W415-Y428 WeakPolarHBondContact CZ3-OH 3.35Å; W415-D451 HydrophobicContact CH2-CB 4.34Å; W415-D451 HydrophobicContact CZ2-CB 3.55Å; W415-D451 PolarHBondContact NE1-OD2 2.98Å; W415-I452 HydrophobicContact CB-CD1 4.05Å; W415-I452 HydrophobicContact CB-CG1 4.34Å; W415-I452 HydrophobicContact CD2-CG1 4.04Å; W415-I452 HydrophobicContact CE3-CG1 4.13Å; W415-I452 HydrophobicContact CG-CD1 4.3Å; W415-I452 HydrophobicContact CG-CG1 4.16Å; W415-D455 HydrophobicContact CH2-CB 4.42Å; W415-D455 HydrophobicContact CZ3-CB 4.24Å
416S77.8Confident78.9Confident80 Ų8077 Ų7756%0.55940%0.399SS*.Hα-helixtrans-61.8-42.7175.964.30000111.6A412 Q413 R418A412-S416 PolarHBondContact O-N 3.16Å; A412-S416 PolarHBondContact O-OG 3.17Å; Q413-S416 PolarHBondContact O-OG 3.07Å; Q413-S416 VanDerWaalsContact O-OG 3.07Å; S416-R418 PolarHBondContact O-N 3.38Å
417G70.9Confident79Confident14 Ų1476.8 Ų76.814%0.14439%0.393CS..G310 helixtrans-70.1-7.1175.200000115.5W415 R419 N420 A424W415-G417 VanDerWaalsContact C-N 3.34Å; W415-G417 PolarHBondContact O-N 2.67Å; G417-R419 PolarHBondContact O-N 2.91Å; G417-R419 VanDerWaalsContact O-N 3.09Å; G417-N420 WeakPolarHBondContact O-CB 3.4Å; G417-N420 PolarHBondContact O-N 2.86Å; G417-A424 VanDerWaalsContact O-CB 3.24Å; G417-A424 WeakPolarHBondContact O-CB 3.42Å
418R67.3Low79.2Confident77 Ų7774.8 Ų74.829%0.29139%0.386SS..G310 helixtrans-63.4-18.8-174.1-156.2-179.9-161.9-165.37.2113.8L414 W415 S416 K425 N429L414-R418 PolarHBondContact O-N 3.42Å; W415-R418 WeakPolarHBondContact O-CB 3.3Å; W415-R418 PolarHBondContact O-N 3.31Å; W415-R418 VanDerWaalsContact O-N 3.13Å; S416-R418 PolarHBondContact O-N 3.38Å; R418-K425 HydrophobicContact CG-CB 4.19Å; R418-K425 HydrophobicContact CG-CG 4.33Å; R418-N429 PolarHBondContact NH2-OD1 2.83Å
419R62.7Low79.3Confident234 Ų23475.7 Ų75.788%0.88339%0.391SS*.G310 helixtrans-78.6-18.1172.3-76.2-174-90-168.4-6.2113.7G417 G421G417-R419 PolarHBondContact O-N 2.91Å; G417-R419 VanDerWaalsContact O-N 3.09Å; R419-G421 VanDerWaalsContact C-N 3.25Å; R419-G421 PolarHBondContact O-N 2.81Å; R419-G421 VanDerWaalsContact O-N 3.16Å
420N65.3Low79.5Confident139 Ų13979.2 Ų79.274%0.74340%0.395SS*.SBendtrans-90.529.9-170.6-58.9-7.6000113.3G417G417-N420 WeakPolarHBondContact O-CB 3.4Å; G417-N420 PolarHBondContact O-N 2.86Å
421G73.4Confident79.6Confident39 Ų3976 Ų7640%0.40239%0.386SS..  trans103171.5172.800000116.4R419 K423 A424 K425R419-G421 VanDerWaalsContact C-N 3.25Å; R419-G421 PolarHBondContact O-N 2.81Å; R419-G421 VanDerWaalsContact O-N 3.16Å; G421-K423 VanDerWaalsContact C-N 3.26Å; G421-K423 PolarHBondContact O-N 3.37Å; G421-A424 PolarHBondContact O-N 3.16Å; G421-K425 PolarHBondContact O-N 2.97Å
422E75.9Confident79.6Confident106 Ų10676 Ų7650%0.49539%0.385SS..Hα-helixtrans-64.2-26.1-167.2-161.262.4-153.900113.7K425 N426E422-K425 IonicContact OE1-NZ 2.57Å; E422-K425 PolarHBondContact OE1-NZ 3.07Å; E422-K425 WeakPolarHBondContact OE2-CD 3.22Å; E422-K425 IonicContact OE2-NZ 2.75Å; E422-K425 PolarHBondContact OE2-NZ 2.84Å; E422-N426 WeakPolarHBondContact O-CB 3.19Å; E422-N426 VanDerWaalsContact O-CG 3.31Å; E422-N426 PolarHBondContact O-N 3.07Å; E422-N426 PolarHBondContact O-ND2 3.29Å
423K75.9Confident79.6Confident193 Ų19378.2 Ų78.284%0.83939%0.392SS*.Hα-helixtrans-63.3-50.8176.1-70.4-175.7179.71790111.9G421 N426 A427G421-K423 VanDerWaalsContact C-N 3.26Å; G421-K423 PolarHBondContact O-N 3.37Å; K423-N426 PolarHBondContact O-N 3.08Å; K423-A427 PolarHBondContact O-N 3.01Å
424A76.1Confident79.7Confident25 Ų2575.8 Ų75.821%0.20738%0.384CS..Hα-helixtrans-64.5-42.218000000111.6G417 G421 N426 A427 Y428G417-A424 VanDerWaalsContact O-CB 3.24Å; G417-A424 WeakPolarHBondContact O-CB 3.42Å; G421-A424 PolarHBondContact O-N 3.16Å; A424-N426 VanDerWaalsContact C-N 3.35Å; A424-N426 PolarHBondContact O-N 3.36Å; A424-A427 WeakPolarHBondContact O-CB 3.5Å; A424-A427 PolarHBondContact O-N 2.86Å; A424-Y428 PolarHBondContact O-N 2.76Å
425K78.5Confident79.9Confident76 Ų7674.5 Ų74.533%0.3338%0.377SS..Hα-helixtrans-59.5-40.5173.4177.8-179.8163.7-138.70113R418 G421 E422 N429R418-K425 HydrophobicContact CG-CB 4.19Å; R418-K425 HydrophobicContact CG-CG 4.33Å; G421-K425 PolarHBondContact O-N 2.97Å; E422-K425 IonicContact OE1-NZ 2.57Å; E422-K425 PolarHBondContact OE1-NZ 3.07Å; E422-K425 WeakPolarHBondContact OE2-CD 3.22Å; E422-K425 IonicContact OE2-NZ 2.75Å; E422-K425 PolarHBondContact OE2-NZ 2.84Å; K425-N429 WeakPolarHBondContact O-CB 3.47Å; K425-N429 PolarHBondContact O-N 3.18Å; K425-N429 PolarHBondContact O-ND2 3.04Å; K425-N429 VanDerWaalsContact O-ND2 3.15Å
426N81.8Confident80.1Confident75 Ų7572.2 Ų72.240%0.40137%0.369SS..Hα-helixtrans-70.4-35.7174.7-79.6-32.9000113E422 K423 A424 N429 K430E422-N426 WeakPolarHBondContact O-CB 3.19Å; E422-N426 VanDerWaalsContact O-CG 3.31Å; E422-N426 PolarHBondContact O-N 3.07Å; E422-N426 PolarHBondContact O-ND2 3.29Å; K423-N426 PolarHBondContact O-N 3.08Å; A424-N426 VanDerWaalsContact C-N 3.35Å; A424-N426 PolarHBondContact O-N 3.36Å; N426-N429 PolarHBondContact O-N 2.83Å; N426-K430 WeakPolarHBondContact O-CG 3.45Å; N426-K430 PolarHBondContact O-N 3.44Å
427A85.2Confident80.6Confident38 Ų3875.1 Ų75.131%0.31437%0.372SS..Hα-helixtrans-62.4-50.1172.200000111.1L414 K423 A424 N429 K430 S431L414-A427 HydrophobicContact CD2-CB 3.88Å; K423-A427 PolarHBondContact O-N 3.01Å; A424-A427 WeakPolarHBondContact O-CB 3.5Å; A424-A427 PolarHBondContact O-N 2.86Å; A427-N429 PolarHBondContact O-N 3.43Å; A427-K430 PolarHBondContact O-N 3.23Å; A427-S431 PolarHBondContact O-N 2.93Å; A427-S431 PolarHBondContact O-OG 3.17Å
428Y90.4Very high81.3Confident0 Ų079 Ų790%039%0.388CS..Hα-helixtrans-52.8-51.4172.9177.2-94.3000111.8L411 L414 W415 A424 K430 S431 A432L411-Y428 HydrophobicContact CB-CE2 4.23Å; L411-Y428 HydrophobicContact CD2-CD2 4.1Å; L411-Y428 HydrophobicContact CD2-CE2 3.81Å; L414-Y428 HydrophobicContact CB-CD2 3.93Å; L414-Y428 HydrophobicContact CB-CG 4.46Å; W415-Y428 HydrophobicContact CB-CD2 4.48Å; W415-Y428 HydrophobicContact CB-CE2 4.4Å; W415-Y428 HydrophobicContact CE3-CD1 4.41Å; W415-Y428 HydrophobicContact CE3-CD2 4.16Å; W415-Y428 AromaticContact CE3-CE1 3.83Å; W415-Y428 HydrophobicContact CE3-CE1 3.83Å; W415-Y428 AromaticContact CE3-CE2 3.54Å; W415-Y428 HydrophobicContact CE3-CE2 3.54Å; W415-Y428 AromaticContact CE3-CZ 3.36Å; W415-Y428 AromaticContact CZ3-CE1 3.76Å; W415-Y428 HydrophobicContact CZ3-CE1 3.76Å; W415-Y428 HydrophobicContact CZ3-CE2 4.2Å; W415-Y428 AromaticContact CZ3-CZ 3.53Å; W415-Y428 WeakPolarHBondContact CZ3-OH 3.35Å; A424-Y428 PolarHBondContact O-N 2.76Å; Y428-K430 PolarHBondContact O-N 2.65Å; Y428-S431 PolarHBondContact O-N 2.9Å; Y428-A432 HydrophobicContact CE1-CB 4.01Å; Y428-A432 WeakPolarHBondContact O-CB 3.34Å; Y428-A432 PolarHBondContact O-N 3.03Å
429N86.4Confident82Confident36 Ų3676 Ų7619%0.19338%0.379CS..Hα-helixtrans-60.7-43.4-176.8-72.4-27.3000112.3R418 K425 N426 A427 D433 R459R418-N429 PolarHBondContact NH2-OD1 2.83Å; K425-N429 WeakPolarHBondContact O-CB 3.47Å; K425-N429 PolarHBondContact O-N 3.18Å; K425-N429 PolarHBondContact O-ND2 3.04Å; K425-N429 VanDerWaalsContact O-ND2 3.15Å; N426-N429 PolarHBondContact O-N 2.83Å; A427-N429 PolarHBondContact O-N 3.43Å; N429-D433 WeakPolarHBondContact O-CB 3.25Å; N429-D433 PolarHBondContact O-N 2.98Å; N429-R459 PolarHBondContact O-NH1 3.37Å; N429-R459 PolarHBondContact OD1-NH2 3.29Å
430K87.8Confident83Confident160 Ų16068.6 Ų68.670%0.69636%0.357SS*.Hα-helixtrans-63.4-42.2176.3-74.8178.9178.3-175.80112N426 A427 Y428 L434N426-K430 WeakPolarHBondContact O-CG 3.45Å; N426-K430 PolarHBondContact O-N 3.44Å; A427-K430 PolarHBondContact O-N 3.23Å; Y428-K430 PolarHBondContact O-N 2.65Å; K430-L434 WeakPolarHBondContact O-CB 3.47Å; K430-L434 PolarHBondContact O-N 3.26Å
431S88.2Confident84Confident32 Ų3264.3 Ų64.322%0.22433%0.333CS..Hα-helixtrans-66.4-44.9178-63.10000111.9L414 A427 Y428 L434 V435L414-S431 WeakPolarHBondContact CD1-OG 3.28Å; A427-S431 PolarHBondContact O-N 2.93Å; A427-S431 PolarHBondContact O-OG 3.17Å; Y428-S431 PolarHBondContact O-N 2.9Å; S431-L434 PolarHBondContact O-N 3.19Å; S431-V435 WeakPolarHBondContact O-CG2 3.3Å; S431-V435 PolarHBondContact O-N 3.3Å
432A88.9Confident84.6Confident0 Ų065.6 Ų65.60%034%0.336CS..Hα-helixtrans-63.3-42.7176.800000112.1L411 Y428 L434 V435 V436 L456L411-A432 HydrophobicContact CD2-CB 4.24Å; Y428-A432 HydrophobicContact CE1-CB 4.01Å; Y428-A432 WeakPolarHBondContact O-CB 3.34Å; Y428-A432 PolarHBondContact O-N 3.03Å; A432-L434 VanDerWaalsContact C-N 3.28Å; A432-L434 PolarHBondContact O-N 2.84Å; A432-V435 PolarHBondContact O-N 2.74Å; A432-V436 WeakPolarHBondContact O-CB 3.31Å; A432-V436 VanDerWaalsContact O-CG2 3.3Å; A432-V436 WeakPolarHBondContact O-CG2 3.17Å; A432-V436 PolarHBondContact O-N 3.45Å; A432-L456 HydrophobicContact CB-CD2 3.97Å
433D85.9Confident85Confident85 Ų8562 Ų6246%0.45532%0.32SS..Hα-helixtrans-65.1-30.5175.5-71.4-20.1000112.5N429 K437 R459N429-D433 WeakPolarHBondContact O-CB 3.25Å; N429-D433 PolarHBondContact O-N 2.98Å; D433-K437 WeakPolarHBondContact O-CB 3.33Å; D433-K437 PolarHBondContact O-N 2.89Å; D433-R459 IonicContact OD1-CZ 3.6Å; D433-R459 IonicContact OD1-NH1 2.82Å; D433-R459 PolarHBondContact OD1-NH1 3.25Å; D433-R459 IonicContact OD2-NH1 2.97Å
434L87.1Confident85.5Confident91 Ų9152.9 Ų52.948%0.47628%0.28SS..Hα-helixtrans-72.7-45.5173.7-17566.1000111.7K430 S431 A432 V436 K437 I438K430-L434 WeakPolarHBondContact O-CB 3.47Å; K430-L434 PolarHBondContact O-N 3.26Å; S431-L434 PolarHBondContact O-N 3.19Å; A432-L434 VanDerWaalsContact C-N 3.28Å; A432-L434 PolarHBondContact O-N 2.84Å; L434-V436 VanDerWaalsContact C-N 3.34Å; L434-V436 PolarHBondContact O-N 2.81Å; L434-K437 WeakPolarHBondContact O-CA 3.3Å; L434-K437 WeakPolarHBondContact O-CB 3.46Å; L434-K437 PolarHBondContact O-N 3.12Å; L434-I438 PolarHBondContact O-N 3.18Å; L434-I438 VanDerWaalsContact O-N 3.12Å
435V89.5Confident86Confident9 Ų956.5 Ų56.56%0.05529%0.292CS..Hα-helixtrans-57.3-48.2175.4169.80000110.1W407 L411 S431 A432 K437 I438 S439 L444 F447 L456W407-V435 HydrophobicContact CB-CG2 4.07Å; W407-V435 HydrophobicContact CD2-CG1 4.43Å; W407-V435 HydrophobicContact CD2-CG2 4.29Å; W407-V435 HydrophobicContact CE3-CG1 3.97Å; W407-V435 HydrophobicContact CG-CG2 4.03Å; L411-V435 HydrophobicContact CD1-CG2 4.16Å; S431-V435 WeakPolarHBondContact O-CG2 3.3Å; S431-V435 PolarHBondContact O-N 3.3Å; A432-V435 PolarHBondContact O-N 2.74Å; V435-K437 PolarHBondContact O-N 2.87Å; V435-I438 PolarHBondContact O-N 2.97Å; V435-I438 VanDerWaalsContact O-N 3.16Å; V435-S439 WeakPolarHBondContact O-CB 3.43Å; V435-S439 PolarHBondContact O-N 2.72Å; V435-S439 PolarHBondContact O-OG 2.64Å; V435-L444 HydrophobicContact CG1-CD2 3.96Å; V435-F447 HydrophobicContact CG1-CZ 3.99Å; V435-L456 HydrophobicContact CB-CD2 4.17Å; V435-L456 HydrophobicContact CG1-CD1 4.22Å; V435-L456 HydrophobicContact CG1-CD2 3.99Å
436V88Confident86.4Confident7 Ų758.1 Ų58.14%0.04230%0.3CS..Hα-helixtrans-63.8-11.5174.5172.70000113.2A432 L434 L444 L456 R459 F460A432-V436 WeakPolarHBondContact O-CB 3.31Å; A432-V436 VanDerWaalsContact O-CG2 3.3Å; A432-V436 WeakPolarHBondContact O-CG2 3.17Å; A432-V436 PolarHBondContact O-N 3.45Å; L434-V436 VanDerWaalsContact C-N 3.34Å; L434-V436 PolarHBondContact O-N 2.81Å; V436-L444 HydrophobicContact CG2-CD1 4.35Å; V436-L456 HydrophobicContact CG2-CB 4.22Å; V436-L456 HydrophobicContact CG2-CD2 3.74Å; V436-L456 WeakPolarHBondContact CG2-O 3.49Å; V436-R459 HydrophobicContact CB-CB 4.48Å; V436-R459 HydrophobicContact CG1-CB 4.15Å; V436-R459 HydrophobicContact CG2-CB 3.85Å; V436-F460 HydrophobicContact CG1-CB 4.05Å; V436-F460 HydrophobicContact CG1-CD2 4.38Å
437K87.1Confident86.6Confident142 Ų14254.9 Ų54.962%0.61728%0.282SS*.Hα-helixtrans-95.4-23.3175.6-179.7173.7-180-169.40114.9D433 L434 V435 R463D433-K437 WeakPolarHBondContact O-CB 3.33Å; D433-K437 PolarHBondContact O-N 2.89Å; L434-K437 WeakPolarHBondContact O-CA 3.3Å; L434-K437 WeakPolarHBondContact O-CB 3.46Å; L434-K437 PolarHBondContact O-N 3.12Å; V435-K437 PolarHBondContact O-N 2.87Å; K437-R463 VanDerWaalsContact CB-NH1 3.26Å
438I86.6Confident86.7Confident95 Ų9560.4 Ų60.449%0.48730%0.299SS..Hα-helixtrans-105.8-17.6-179.764.7-175.4000113.1W407 L434 V435W407-I438 HydrophobicContact CH2-CD1 4.11Å; W407-I438 HydrophobicContact CH2-CG1 4Å; W407-I438 HydrophobicContact CZ2-CD1 3.47Å; W407-I438 VanDerWaalsContact CZ2-CD1 3.47Å; W407-I438 HydrophobicContact CZ2-CG1 3.89Å; L434-I438 PolarHBondContact O-N 3.18Å; L434-I438 VanDerWaalsContact O-N 3.12Å; V435-I438 PolarHBondContact O-N 2.97Å; V435-I438 VanDerWaalsContact O-N 3.16Å
439S80.4Confident86.4Confident13 Ų1363 Ų639%0.09131%0.312CS..  trans-98157.8-177.860.10000114.3V435 Q443 L444V435-S439 WeakPolarHBondContact O-CB 3.43Å; V435-S439 PolarHBondContact O-N 2.72Å; V435-S439 PolarHBondContact O-OG 2.64Å; S439-Q443 VanDerWaalsContact CA-OE1 3.31Å; S439-L444 VanDerWaalsContact OG-CD2 3.22Å; S439-L444 WeakPolarHBondContact OG-CD2 3.44Å; S439-L444 WeakPolarHBondContact OG-CG 3.49Å
440N84.7Confident86.2Confident79 Ų7967.3 Ų67.342%0.42233%0.332SS..  trans-98.5169.6165.268.851.8000111.5S442 Q443 L444N440-S442 VanDerWaalsContact C-N 3.34Å; N440-S442 PolarHBondContact O-N 2.93Å; N440-S442 PolarHBondContact OD1-N 2.66Å; N440-S442 VanDerWaalsContact OD1-N 3.12Å; N440-Q443 PolarHBondContact ND2-OE1 3.28Å; N440-Q443 PolarHBondContact O-N 2.8Å; N440-Q443 VanDerWaalsContact O-N 3.17Å; N440-Q443 PolarHBondContact OD1-N 3.09Å; N440-L444 PolarHBondContact O-N 2.92Å
441I86Confident86Confident49 Ų4963.9 Ų63.925%0.25132%0.321SS..Hα-helixtrans-59.2-41.6-175.8-165.4167.9000112.8Q443 L444 E445 L457 F460I441-Q443 VanDerWaalsContact C-N 3.28Å; I441-Q443 PolarHBondContact O-N 3.49Å; I441-L444 WeakPolarHBondContact O-CA 3.47Å; I441-L444 WeakPolarHBondContact O-CB 3.46Å; I441-L444 PolarHBondContact O-N 2.89Å; I441-E445 HydrophobicContact CG1-CG 4.47Å; I441-E445 WeakPolarHBondContact O-CG 3.31Å; I441-E445 PolarHBondContact O-N 2.97Å; I441-L457 HydrophobicContact CG1-CD2 4.05Å; I441-F460 HydrophobicContact CB-CD1 4.31Å; I441-F460 HydrophobicContact CB-CE1 3.68Å; I441-F460 HydrophobicContact CB-CZ 3.88Å; I441-F460 HydrophobicContact CD1-CD1 4.32Å; I441-F460 HydrophobicContact CD1-CE1 4.05Å; I441-F460 HydrophobicContact CG1-CD1 4.31Å; I441-F460 HydrophobicContact CG1-CE1 4.07Å
442S85.9Confident86Confident66 Ų6662.4 Ų62.446%0.46231%0.31SS..Hα-helixtrans-69.8-22-179.6-49.90000113.7N440 E445 K446N440-S442 VanDerWaalsContact C-N 3.34Å; N440-S442 PolarHBondContact O-N 2.93Å; N440-S442 PolarHBondContact OD1-N 2.66Å; N440-S442 VanDerWaalsContact OD1-N 3.12Å; S442-E445 WeakPolarHBondContact CA-OE2 3.41Å; S442-K446 WeakPolarHBondContact O-CG 3.46Å
443Q85Confident86Confident32 Ų3266 Ų6615%0.1532%0.324CS..Hα-helixtrans-77.4-34.4168.3-71.8170.2-45.500111.6I404 S439 N440 I441 K446 F447I404-Q443 HydrophobicContact CD1-CB 4.24Å; I404-Q443 HydrophobicContact CD1-CG 4.31Å; S439-Q443 VanDerWaalsContact CA-OE1 3.31Å; N440-Q443 PolarHBondContact ND2-OE1 3.28Å; N440-Q443 PolarHBondContact O-N 2.8Å; N440-Q443 VanDerWaalsContact O-N 3.17Å; N440-Q443 PolarHBondContact OD1-N 3.09Å; I441-Q443 VanDerWaalsContact C-N 3.28Å; I441-Q443 PolarHBondContact O-N 3.49Å; Q443-K446 PolarHBondContact O-N 3.14Å; Q443-F447 WeakPolarHBondContact O-CD2 3.23Å
444L85.8Confident85.9Confident0 Ų063.5 Ų63.50%032%0.315CS..Hα-helixtrans-71.8-34.2175.8-64.9-178.2000112.4V435 V436 S439 N440 I441 K446 F447 L456 L457 F460V435-L444 HydrophobicContact CG1-CD2 3.96Å; V436-L444 HydrophobicContact CG2-CD1 4.35Å; S439-L444 VanDerWaalsContact OG-CD2 3.22Å; S439-L444 WeakPolarHBondContact OG-CD2 3.44Å; S439-L444 WeakPolarHBondContact OG-CG 3.49Å; N440-L444 PolarHBondContact O-N 2.92Å; I441-L444 WeakPolarHBondContact O-CA 3.47Å; I441-L444 WeakPolarHBondContact O-CB 3.46Å; I441-L444 PolarHBondContact O-N 2.89Å; L444-K446 PolarHBondContact O-N 3.21Å; L444-F447 HydrophobicContact CD2-CE2 4.01Å; L444-F447 WeakPolarHBondContact O-CD2 3.17Å; L444-F447 PolarHBondContact O-N 3.03Å; L444-L456 HydrophobicContact CD1-CB 4.39Å; L444-L456 HydrophobicContact CD2-CB 3.9Å; L444-L456 HydrophobicContact CD2-CD1 4Å; L444-L456 HydrophobicContact CD2-CG 4.4Å; L444-L457 HydrophobicContact CB-CD2 3.82Å; L444-L457 HydrophobicContact CB-CG 4.45Å; L444-F460 HydrophobicContact CD1-CB 3.65Å; L444-F460 HydrophobicContact CD1-CD2 3.77Å; L444-F460 HydrophobicContact CD1-CG 3.86Å
445E86.6Confident86Confident101 Ų10160.1 Ų60.147%0.47230%0.297SS..THydrogen-bonded Turntrans-65.1-22.8175.5-72.8164.9165.600113.1I441 S442 L457I441-E445 HydrophobicContact CG1-CG 4.47Å; I441-E445 WeakPolarHBondContact O-CG 3.31Å; I441-E445 PolarHBondContact O-N 2.97Å; S442-E445 WeakPolarHBondContact CA-OE2 3.41Å; E445-L457 HydrophobicContact CG-CD2 4.21Å
446K87.6Confident86Confident111 Ų11159.7 Ų59.748%0.48330%0.295SS..THydrogen-bonded Turntrans-82.1-3.9179.6-77.2-178.5174.6-169.70115.5E401 I404 S442 Q443 L444E401-K446 IonicContact OE1-NZ 3.88Å; E401-K446 PolarHBondContact OE1-NZ 3.3Å; I404-K446 HydrophobicContact CD1-CB 4.03Å; I404-K446 HydrophobicContact CD1-CD 3.98Å; S442-K446 WeakPolarHBondContact O-CG 3.46Å; Q443-K446 PolarHBondContact O-N 3.14Å; L444-K446 PolarHBondContact O-N 3.21Å
447F86.7Confident86Confident6 Ų660.6 Ų60.63%0.02630%0.299CS..  trans-67.5133.7176.2-82.6-109.9000110.7I404 W407 E408 L411 V435 Q443 L444 I452 R453 L456I404-F447 HydrophobicContact CG2-CD2 3.99Å; I404-F447 HydrophobicContact CG2-CE2 3.91Å; I404-F447 HydrophobicContact CG2-CZ 4.37Å; W407-F447 HydrophobicContact CB-CE1 4.32Å; W407-F447 HydrophobicContact CB-CZ 3.97Å; W407-F447 HydrophobicContact CE3-CE2 4.44Å; W407-F447 HydrophobicContact CE3-CZ 4.16Å; E408-F447 HydrophobicContact CB-CD1 3.78Å; E408-F447 HydrophobicContact CB-CE1 3.8Å; E408-F447 HydrophobicContact CG-CD1 4.09Å; L411-F447 HydrophobicContact CD1-CE1 4.08Å; V435-F447 HydrophobicContact CG1-CZ 3.99Å; Q443-F447 WeakPolarHBondContact O-CD2 3.23Å; L444-F447 HydrophobicContact CD2-CE2 4.01Å; L444-F447 WeakPolarHBondContact O-CD2 3.17Å; L444-F447 PolarHBondContact O-N 3.03Å; F447-I452 HydrophobicContact CD1-CG2 4.22Å; F447-R453 HydrophobicContact CB-CB 4.01Å; F447-R453 HydrophobicContact CB-CG 4.27Å; F447-R453 WeakPolarHBondContact O-CD 3.43Å; F447-L456 HydrophobicContact CD1-CD1 3.82Å; F447-L456 HydrophobicContact CD2-CD1 4.18Å; F447-L456 HydrophobicContact CE1-CD1 3.6Å; F447-L456 HydrophobicContact CE2-CD1 3.97Å; F447-L456 HydrophobicContact CG-CD1 4.11Å; F447-L456 HydrophobicContact CZ-CD1 3.68Å
448K85.4Confident85.9Confident155 Ų15558.8 Ų58.867%0.67429%0.288SS*.SBendtrans-76.4-29.3-177-63.9156-177.8161.80112.6D405 E408 E450D405-K448 IonicContact OD1-NZ 2.76Å; D405-K448 PolarHBondContact OD1-NZ 3.27Å; D405-K448 IonicContact OD2-NZ 3.23Å; E408-K448 VanDerWaalsContact CD-N 3.3Å; E408-K448 WeakPolarHBondContact OE1-CA 3.5Å; E408-K448 WeakPolarHBondContact OE1-CB 3.27Å; E408-K448 PolarHBondContact OE1-N 3.17Å; E408-K448 PolarHBondContact OE2-N 2.87Å; K448-E450 PolarHBondContact O-N 3.45Å
449N84.3Confident86Confident53 Ų5356.3 Ų56.328%0.28327%0.273SS..  trans-85.8108.1-176.2-176.6-64.9000111.4E408 D451 I452 R453E408-N449 WeakPolarHBondContact OE1-CB 3.48Å; E408-N449 PolarHBondContact OE1-N 3.42Å; N449-D451 PolarHBondContact O-N 3.43Å; N449-D451 WeakPolarHBondContact OD1-CB 3.4Å; N449-D451 PolarHBondContact OD1-N 3.4Å; N449-I452 HydrophobicContact CB-CB 4.22Å; N449-I452 HydrophobicContact CB-CD1 4.19Å; N449-I452 HydrophobicContact CB-CG1 4.46Å; N449-I452 PolarHBondContact O-N 2.9Å; N449-I452 WeakPolarHBondContact OD1-CG1 3.24Å; N449-I452 PolarHBondContact OD1-N 3Å; N449-R453 WeakPolarHBondContact O-CB 3Å; N449-R453 PolarHBondContact O-N 2.94Å
450E84Confident86.4Confident128 Ų12856.7 Ų56.760%0.59827%0.273SS*.Hα-helixtrans-46.2-51.4-180-158.678.8-104.700113.8K448 R453 A454K448-E450 PolarHBondContact O-N 3.45Å; E450-R453 IonicContact OE1-CZ 3.71Å; E450-R453 IonicContact OE1-NE 3.65Å; E450-R453 PolarHBondContact OE1-NE 3.36Å; E450-R453 IonicContact OE1-NH2 2.77Å; E450-R453 PolarHBondContact OE1-NH2 2.92Å; E450-A454 VanDerWaalsContact O-CB 3.24Å; E450-A454 WeakPolarHBondContact O-CB 3.35Å; E450-A454 PolarHBondContact O-N 3.25Å
451D83.3Confident86.3Confident88 Ų8857.8 Ų57.847%0.47128%0.275SS..Hα-helixtrans-60.1-48.5-177.4-104.8-9.1000112.2W415 N449 D455W415-D451 HydrophobicContact CH2-CB 4.34Å; W415-D451 HydrophobicContact CZ2-CB 3.55Å; W415-D451 PolarHBondContact NE1-OD2 2.98Å; N449-D451 PolarHBondContact O-N 3.43Å; N449-D451 WeakPolarHBondContact OD1-CB 3.4Å; N449-D451 PolarHBondContact OD1-N 3.4Å; D451-D455 PolarHBondContact O-N 2.71Å; D451-D455 VanDerWaalsContact O-N 3.09Å
452I87.2Confident86.1Confident0 Ų058.8 Ų58.80%028%0.278CS..Hα-helixtrans-74.3-44-177.8-66.1170.3000110L411 A412 W415 F447 N449 A454 D455 L456L411-I452 HydrophobicContact CB-CD1 4.17Å; L411-I452 HydrophobicContact CB-CG2 4.01Å; L411-I452 HydrophobicContact CD1-CG2 3.84Å; A412-I452 HydrophobicContact CB-CD1 4.12Å; W415-I452 HydrophobicContact CB-CD1 4.05Å; W415-I452 HydrophobicContact CB-CG1 4.34Å; W415-I452 HydrophobicContact CD2-CG1 4.04Å; W415-I452 HydrophobicContact CE3-CG1 4.13Å; W415-I452 HydrophobicContact CG-CD1 4.3Å; W415-I452 HydrophobicContact CG-CG1 4.16Å; F447-I452 HydrophobicContact CD1-CG2 4.22Å; N449-I452 HydrophobicContact CB-CB 4.22Å; N449-I452 HydrophobicContact CB-CD1 4.19Å; N449-I452 HydrophobicContact CB-CG1 4.46Å; N449-I452 PolarHBondContact O-N 2.9Å; N449-I452 WeakPolarHBondContact OD1-CG1 3.24Å; N449-I452 PolarHBondContact OD1-N 3Å; I452-A454 VanDerWaalsContact C-N 3.3Å; I452-A454 PolarHBondContact O-N 3.47Å; I452-D455 PolarHBondContact O-N 2.95Å; I452-D455 VanDerWaalsContact O-N 3.13Å; I452-L456 HydrophobicContact CG2-CD1 3.76Å; I452-L456 HydrophobicContact CG2-CG 4.18Å; I452-L456 WeakPolarHBondContact O-CB 3.42Å; I452-L456 VanDerWaalsContact O-CG 3.27Å; I452-L456 WeakPolarHBondContact O-CG 3.16Å; I452-L456 PolarHBondContact O-N 3.4Å
453R88.8Confident85.9Confident77 Ų7759.3 Ų59.329%0.29127%0.27SS..Hα-helixtrans-53.4-48.4173.4-173.9-178.876.987.9-2.9110.4F447 N449 E450 L456 L457F447-R453 HydrophobicContact CB-CB 4.01Å; F447-R453 HydrophobicContact CB-CG 4.27Å; F447-R453 WeakPolarHBondContact O-CD 3.43Å; N449-R453 WeakPolarHBondContact O-CB 3Å; N449-R453 PolarHBondContact O-N 2.94Å; E450-R453 IonicContact OE1-CZ 3.71Å; E450-R453 IonicContact OE1-NE 3.65Å; E450-R453 PolarHBondContact OE1-NE 3.36Å; E450-R453 IonicContact OE1-NH2 2.77Å; E450-R453 PolarHBondContact OE1-NH2 2.92Å; R453-L456 PolarHBondContact O-N 2.93Å; R453-L457 HydrophobicContact CG-CD1 4.04Å; R453-L457 WeakPolarHBondContact O-CB 3.38Å; R453-L457 VanDerWaalsContact O-CG 3.28Å; R453-L457 WeakPolarHBondContact O-CG 2.91Å; R453-L457 PolarHBondContact O-N 3.07Å
454A83.5Confident85.8Confident31 Ų3163.3 Ų63.326%0.25629%0.287SS..Hα-helixtrans-63.3-40.8176.600000112.8E450 I452 R458E450-A454 VanDerWaalsContact O-CB 3.24Å; E450-A454 WeakPolarHBondContact O-CB 3.35Å; E450-A454 PolarHBondContact O-N 3.25Å; I452-A454 VanDerWaalsContact C-N 3.3Å; I452-A454 PolarHBondContact O-N 3.47Å; A454-R458 WeakPolarHBondContact O-CB 3.36Å; A454-R458 VanDerWaalsContact O-CG 3.24Å; A454-R458 WeakPolarHBondContact O-CG 3.33Å; A454-R458 PolarHBondContact O-N 3.25Å; A454-R458 PolarHBondContact O-NE 2.9Å
455D88.8Confident85.4Confident21 Ų2165.2 Ų65.211%0.11230%0.295CS..Hα-helixtrans-66.9-41.4176.7-153.462.6000112.6W415 D451 I452 R458 R459W415-D455 HydrophobicContact CH2-CB 4.42Å; W415-D455 HydrophobicContact CZ3-CB 4.24Å; D451-D455 PolarHBondContact O-N 2.71Å; D451-D455 VanDerWaalsContact O-N 3.09Å; I452-D455 PolarHBondContact O-N 2.95Å; I452-D455 VanDerWaalsContact O-N 3.13Å; D455-R458 IonicContact OD1-NE 3.52Å; D455-R458 IonicContact OD1-NH2 3.79Å; D455-R458 PolarHBondContact OD1-NH2 3.15Å; D455-R459 WeakPolarHBondContact O-CB 3.32Å; D455-R459 VanDerWaalsContact O-CG 3.26Å; D455-R459 WeakPolarHBondContact O-CG 3.12Å; D455-R459 PolarHBondContact O-N 3.26Å; D455-R459 IonicContact OD2-CZ 3.47Å; D455-R459 VanDerWaalsContact OD2-CZ 3.24Å; D455-R459 IonicContact OD2-NE 2.63Å; D455-R459 PolarHBondContact OD2-NE 3.03Å; D455-R459 IonicContact OD2-NH2 2.61Å; D455-R459 PolarHBondContact OD2-NH2 2.93Å
456L89.9Confident85.1Confident0 Ų066.6 Ų66.60%030%0.296CS..Hα-helixtrans-66.3-45.6177.9-66.5171.4000111.5L411 A432 V435 V436 L444 F447 I452 R453 R459 F460L411-L456 HydrophobicContact CD1-CD1 3.83Å; L411-L456 HydrophobicContact CD1-CD2 3.97Å; L411-L456 HydrophobicContact CD1-CG 4.34Å; A432-L456 HydrophobicContact CB-CD2 3.97Å; V435-L456 HydrophobicContact CB-CD2 4.17Å; V435-L456 HydrophobicContact CG1-CD1 4.22Å; V435-L456 HydrophobicContact CG1-CD2 3.99Å; V436-L456 HydrophobicContact CG2-CB 4.22Å; V436-L456 HydrophobicContact CG2-CD2 3.74Å; V436-L456 WeakPolarHBondContact CG2-O 3.49Å; L444-L456 HydrophobicContact CD1-CB 4.39Å; L444-L456 HydrophobicContact CD2-CB 3.9Å; L444-L456 HydrophobicContact CD2-CD1 4Å; L444-L456 HydrophobicContact CD2-CG 4.4Å; F447-L456 HydrophobicContact CD1-CD1 3.82Å; F447-L456 HydrophobicContact CD2-CD1 4.18Å; F447-L456 HydrophobicContact CE1-CD1 3.6Å; F447-L456 HydrophobicContact CE2-CD1 3.97Å; F447-L456 HydrophobicContact CG-CD1 4.11Å; F447-L456 HydrophobicContact CZ-CD1 3.68Å; I452-L456 HydrophobicContact CG2-CD1 3.76Å; I452-L456 HydrophobicContact CG2-CG 4.18Å; I452-L456 WeakPolarHBondContact O-CB 3.42Å; I452-L456 VanDerWaalsContact O-CG 3.27Å; I452-L456 WeakPolarHBondContact O-CG 3.16Å; I452-L456 PolarHBondContact O-N 3.4Å; R453-L456 PolarHBondContact O-N 2.93Å; L456-R459 PolarHBondContact O-N 2.73Å; L456-F460 WeakPolarHBondContact O-CB 3.37Å; L456-F460 PolarHBondContact O-N 3.19Å
457L88.5Confident84.9Confident25 Ų2565.5 Ų65.513%0.13129%0.293CS..Hα-helixtrans-62.2-46.2175.5-70.5172.8000111.2I441 L444 E445 R453 R459 F460 H461I441-L457 HydrophobicContact CG1-CD2 4.05Å; L444-L457 HydrophobicContact CB-CD2 3.82Å; L444-L457 HydrophobicContact CB-CG 4.45Å; E445-L457 HydrophobicContact CG-CD2 4.21Å; R453-L457 HydrophobicContact CG-CD1 4.04Å; R453-L457 WeakPolarHBondContact O-CB 3.38Å; R453-L457 VanDerWaalsContact O-CG 3.28Å; R453-L457 WeakPolarHBondContact O-CG 2.91Å; R453-L457 PolarHBondContact O-N 3.07Å; L457-R459 VanDerWaalsContact C-N 3.33Å; L457-R459 PolarHBondContact O-N 3.09Å; L457-F460 PolarHBondContact O-N 2.95Å; L457-F460 VanDerWaalsContact O-N 3.14Å; L457-H461 PolarHBondContact O-CD2 3.5Å; L457-H461 PolarHBondContact O-N 3.01Å
458R84.4Confident84.7Confident104 Ų10470.3 Ų70.339%0.39231%0.314SS..Hα-helixtrans-55.7-45.7174.3-77.8-175.9-60.9-108.6-1.6111.9A454 D455 F462A454-R458 WeakPolarHBondContact O-CB 3.36Å; A454-R458 VanDerWaalsContact O-CG 3.24Å; A454-R458 WeakPolarHBondContact O-CG 3.33Å; A454-R458 PolarHBondContact O-N 3.25Å; A454-R458 PolarHBondContact O-NE 2.9Å; D455-R458 IonicContact OD1-NE 3.52Å; D455-R458 IonicContact OD1-NH2 3.79Å; D455-R458 PolarHBondContact OD1-NH2 3.15Å; R458-F462 WeakPolarHBondContact O-CB 3.22Å; R458-F462 PolarHBondContact O-N 2.83Å
459R88.7Confident84.4Confident44 Ų4463.5 Ų63.517%0.16629%0.285CS..Hα-helixtrans-64.2-40.3176.1-74.6173.4-164.7-108.72.3112.6N429 D433 V436 D455 L456 L457 F462 R463N429-R459 PolarHBondContact O-NH1 3.37Å; N429-R459 PolarHBondContact OD1-NH2 3.29Å; D433-R459 IonicContact OD1-CZ 3.6Å; D433-R459 IonicContact OD1-NH1 2.82Å; D433-R459 PolarHBondContact OD1-NH1 3.25Å; D433-R459 IonicContact OD2-NH1 2.97Å; V436-R459 HydrophobicContact CB-CB 4.48Å; V436-R459 HydrophobicContact CG1-CB 4.15Å; V436-R459 HydrophobicContact CG2-CB 3.85Å; D455-R459 WeakPolarHBondContact O-CB 3.32Å; D455-R459 VanDerWaalsContact O-CG 3.26Å; D455-R459 WeakPolarHBondContact O-CG 3.12Å; D455-R459 PolarHBondContact O-N 3.26Å; D455-R459 IonicContact OD2-CZ 3.47Å; D455-R459 VanDerWaalsContact OD2-CZ 3.24Å; D455-R459 IonicContact OD2-NE 2.63Å; D455-R459 PolarHBondContact OD2-NE 3.03Å; D455-R459 IonicContact OD2-NH2 2.61Å; D455-R459 PolarHBondContact OD2-NH2 2.93Å; L456-R459 PolarHBondContact O-N 2.73Å; L457-R459 VanDerWaalsContact C-N 3.33Å; L457-R459 PolarHBondContact O-N 3.09Å; R459-F462 PolarHBondContact O-N 3.25Å; R459-R463 VanDerWaalsContact O-CB 3.3Å; R459-R463 WeakPolarHBondContact O-CB 3.43Å; R459-R463 PolarHBondContact O-N 2.95Å
460F88.7Confident84.2Confident21 Ų2168.1 Ų68.19%0.09230%0.302CS..Hα-helixtrans-64.4-46.6178.1-177-90.9000111.7V436 I441 L444 L456 L457 R463 K464V436-F460 HydrophobicContact CG1-CB 4.05Å; V436-F460 HydrophobicContact CG1-CD2 4.38Å; I441-F460 HydrophobicContact CB-CD1 4.31Å; I441-F460 HydrophobicContact CB-CE1 3.68Å; I441-F460 HydrophobicContact CB-CZ 3.88Å; I441-F460 HydrophobicContact CD1-CD1 4.32Å; I441-F460 HydrophobicContact CD1-CE1 4.05Å; I441-F460 HydrophobicContact CG1-CD1 4.31Å; I441-F460 HydrophobicContact CG1-CE1 4.07Å; L444-F460 HydrophobicContact CD1-CB 3.65Å; L444-F460 HydrophobicContact CD1-CD2 3.77Å; L444-F460 HydrophobicContact CD1-CG 3.86Å; L456-F460 WeakPolarHBondContact O-CB 3.37Å; L456-F460 PolarHBondContact O-N 3.19Å; L457-F460 PolarHBondContact O-N 2.95Å; L457-F460 VanDerWaalsContact O-N 3.14Å; F460-R463 PolarHBondContact O-N 2.94Å; F460-K464 HydrophobicContact CD1-CD 4.45Å; F460-K464 HydrophobicContact CE1-CD 3.74Å; F460-K464 HydrophobicContact CE1-CG 4.26Å; F460-K464 HydrophobicContact CZ-CD 4.18Å; F460-K464 PolarHBondContact O-N 2.9Å
461H83.8Confident84.3Confident101 Ų10166.4 Ų66.447%0.46831%0.31SS..Hα-helixtrans-60.8-49.4173.2-73.9-68.1000111.7L457 R463 K464 E465L457-H461 PolarHBondContact O-CD2 3.5Å; L457-H461 PolarHBondContact O-N 3.01Å; H461-R463 PolarHBondContact O-N 3.42Å; H461-K464 PolarHBondContact O-N 3.25Å; H461-E465 WeakPolarHBondContact O-CB 3.01Å; H461-E465 PolarHBondContact O-N 3.26Å
462F81Confident84.3Confident70 Ų7064.3 Ų64.331%0.30730%0.298SS..Hα-helixtrans-58.9-35.2177.7-171.3-93.4000112.3L301 F305 R458 R459 R466L301-F462 HydrophobicContact CB-CE2 4.2Å; L301-F462 HydrophobicContact CB-CZ 4.05Å; F305-F462 HydrophobicContact CD2-CD2 4.05Å; F305-F462 HydrophobicContact CD2-CE2 4.07Å; F305-F462 HydrophobicContact CE2-CD2 4.03Å; F305-F462 HydrophobicContact CE2-CE2 4.11Å; R458-F462 WeakPolarHBondContact O-CB 3.22Å; R458-F462 PolarHBondContact O-N 2.83Å; R459-F462 PolarHBondContact O-N 3.25Å; F462-R466 VanDerWaalsContact O-CB 3.29Å; F462-R466 WeakPolarHBondContact O-CB 3.38Å; F462-R466 PolarHBondContact O-N 2.68Å
463R82.9Confident84.1Confident78 Ų7866.4 Ų66.429%0.29431%0.313SS..Hα-helixtrans-68.7-51.4175.1-179.8174.8175.7-178-9.6112.4K437 R459 F460 H461 E465 R466 E467K437-R463 VanDerWaalsContact CB-NH1 3.26Å; R459-R463 VanDerWaalsContact O-CB 3.3Å; R459-R463 WeakPolarHBondContact O-CB 3.43Å; R459-R463 PolarHBondContact O-N 2.95Å; F460-R463 PolarHBondContact O-N 2.94Å; H461-R463 PolarHBondContact O-N 3.42Å; R463-E465 PolarHBondContact O-N 3.24Å; R463-R466 PolarHBondContact O-N 3.14Å; R463-R466 VanDerWaalsContact O-N 3.14Å; R463-E467 IonicContact CZ-OE1 2.76Å; R463-E467 IonicContact NE-OE1 2.7Å; R463-E467 PolarHBondContact NE-OE1 2.89Å; R463-E467 IonicContact NH2-OE1 3.47Å; R463-E467 PolarHBondContact NH2-OE1 3Å; R463-E467 WeakPolarHBondContact O-CG 3.36Å; R463-E467 PolarHBondContact O-N 3.49Å
464K82.8Confident83.6Confident116 Ų11668.7 Ų68.750%0.50434%0.335SS..Hα-helixtrans-56.6-41.3175.6-86.8-166.5170-176.10111.3F460 H461 E467 K468F460-K464 HydrophobicContact CD1-CD 4.45Å; F460-K464 HydrophobicContact CE1-CD 3.74Å; F460-K464 HydrophobicContact CE1-CG 4.26Å; F460-K464 HydrophobicContact CZ-CD 4.18Å; F460-K464 PolarHBondContact O-N 2.9Å; H461-K464 PolarHBondContact O-N 3.25Å; K464-E467 PolarHBondContact O-N 2.64Å; K464-K468 WeakPolarHBondContact O-CB 3.27Å; K464-K468 PolarHBondContact O-N 3.3Å
465E77.3Confident83.4Confident39 Ų3974.5 Ų74.518%0.18236%0.356CS..Hα-helixtrans-68.4-38178.1-164.7158.1173.300111.7H461 R463 K468 L469 Y480 K484H461-E465 WeakPolarHBondContact O-CB 3.01Å; H461-E465 PolarHBondContact O-N 3.26Å; R463-E465 PolarHBondContact O-N 3.24Å; E465-K468 PolarHBondContact O-N 3.16Å; E465-L469 HydrophobicContact CG-CD1 4.41Å; E465-L469 WeakPolarHBondContact O-CB 3.31Å; E465-L469 WeakPolarHBondContact O-CG 3.4Å; E465-L469 PolarHBondContact O-N 2.82Å; E465-Y480 HydrophobicContact CG-CE1 4.22Å; E465-Y480 PolarHBondContact OE1-OH 3.36Å; E465-Y480 VanDerWaalsContact OE1-OH 3.1Å; E465-K484 VanDerWaalsContact CD-NZ 3.26Å; E465-K484 IonicContact OE1-NZ 2.83Å; E465-K484 PolarHBondContact OE1-NZ 2.73Å; E465-K484 IonicContact OE2-NZ 2.67Å; E465-K484 PolarHBondContact OE2-NZ 2.92Å; E465-K484 VanDerWaalsContact OE2-NZ 3.11Å
466R79.7Confident83.2Confident130 Ų13078.5 Ų78.549%0.49138%0.375SS..Hα-helixtrans-67.1-33.2172-165.9179.675.5159.60.4113.2F462 R463 K470F462-R466 VanDerWaalsContact O-CB 3.29Å; F462-R466 WeakPolarHBondContact O-CB 3.38Å; F462-R466 PolarHBondContact O-N 2.68Å; R463-R466 PolarHBondContact O-N 3.14Å; R463-R466 VanDerWaalsContact O-N 3.14Å; R466-K470 WeakPolarHBondContact O-CG 3.48Å; R466-K470 PolarHBondContact O-N 3.49Å
467E83.1Confident82.7Confident88 Ų8882.4 Ų82.441%0.41139%0.391SS..Hα-helixtrans-72-42.1174.7-74.2168.1179.800110.6R463 K464 L469 K470 A471R463-E467 IonicContact CZ-OE1 2.76Å; R463-E467 IonicContact NE-OE1 2.7Å; R463-E467 PolarHBondContact NE-OE1 2.89Å; R463-E467 IonicContact NH2-OE1 3.47Å; R463-E467 PolarHBondContact NH2-OE1 3Å; R463-E467 WeakPolarHBondContact O-CG 3.36Å; R463-E467 PolarHBondContact O-N 3.49Å; K464-E467 PolarHBondContact O-N 2.64Å; E467-L469 PolarHBondContact O-N 3.44Å; E467-K470 WeakPolarHBondContact O-CB 3.42Å; E467-K470 PolarHBondContact O-N 3.42Å; E467-A471 PolarHBondContact O-N 3.44Å; E467-A471 VanDerWaalsContact O-N 3.14Å
468K82.5Confident82.2Confident107 Ų10785.5 Ų85.547%0.46541%0.408SS..Hα-helixtrans-56.6-50.1169.7-167.3-178.6-178-177.20111.8K464 E465 K470 A471 M472K464-K468 WeakPolarHBondContact O-CB 3.27Å; K464-K468 PolarHBondContact O-N 3.3Å; E465-K468 PolarHBondContact O-N 3.16Å; K468-K470 PolarHBondContact O-N 3.45Å; K468-A471 PolarHBondContact O-N 3.39Å; K468-M472 HydrophobicContact CD-SD 4.48Å; K468-M472 HydrophobicContact CG-SD 3.92Å; K468-M472 WeakPolarHBondContact O-CG 3.25Å; K468-M472 PolarHBondContact O-N 2.92Å
469L79.4Confident82.2Confident12 Ų1285 Ų856%0.06341%0.41CS..Hα-helixtrans-64.5-6175.5-72.3168.8000115L301 E465 E467 K477 Y480 L481L301-L469 HydrophobicContact CD1-CD1 4.33Å; E465-L469 HydrophobicContact CG-CD1 4.41Å; E465-L469 WeakPolarHBondContact O-CB 3.31Å; E465-L469 WeakPolarHBondContact O-CG 3.4Å; E465-L469 PolarHBondContact O-N 2.82Å; E467-L469 PolarHBondContact O-N 3.44Å; L469-K477 HydrophobicContact CD2-CG 3.87Å; L469-K477 WeakPolarHBondContact O-CD 3.09Å; L469-K477 VanDerWaalsContact O-CE 3.26Å; L469-K477 WeakPolarHBondContact O-CE 3.46Å; L469-K477 PolarHBondContact O-NZ 3.17Å; L469-Y480 HydrophobicContact CD2-CD1 3.76Å; L469-Y480 HydrophobicContact CD2-CE1 4.24Å; L469-L481 HydrophobicContact CD2-CD2 4.16Å; L469-L481 HydrophobicContact CD2-CG 4.18Å
470K81Confident81.9Confident151 Ų15184.8 Ų84.866%0.65741%0.409SS*.Hα-helixtrans-101.1-24.8171.6-79.6178.1172.4-159.50113.1R466 E467 K468R466-K470 WeakPolarHBondContact O-CG 3.48Å; R466-K470 PolarHBondContact O-N 3.49Å; E467-K470 WeakPolarHBondContact O-CB 3.42Å; E467-K470 PolarHBondContact O-N 3.42Å; K468-K470 PolarHBondContact O-N 3.45Å
471A85.4Confident81.4Confident91 Ų9186.1 Ų86.175%0.75242%0.417SS*.Hα-helixtrans-83.8-23.6178.500000113.1E467 K468E467-A471 PolarHBondContact O-N 3.44Å; E467-A471 VanDerWaalsContact O-N 3.14Å; K468-A471 PolarHBondContact O-N 3.39Å
472M82.1Confident81.1Confident45 Ų4587.9 Ų87.922%0.22242%0.42CS..SBendtrans-78.9149.7-178.7-65.9172.481.700112.9K468 E476 K477 Y480K468-M472 HydrophobicContact CD-SD 4.48Å; K468-M472 HydrophobicContact CG-SD 3.92Å; K468-M472 WeakPolarHBondContact O-CG 3.25Å; K468-M472 PolarHBondContact O-N 2.92Å; M472-E476 VanDerWaalsContact CA-OE2 3.28Å; M472-E476 WeakPolarHBondContact CA-OE2 3.32Å; M472-E476 HydrophobicContact CB-CB 3.97Å; M472-E476 HydrophobicContact CE-CB 3.79Å; M472-E476 WeakPolarHBondContact CE-O 3.32Å; M472-K477 HydrophobicContact CB-CB 4.34Å; M472-Y480 HydrophobicContact CE-CD2 4.49Å; M472-Y480 HydrophobicContact CE-CG 4.25Å; M472-Y480 HydrophobicContact SD-CG 4.43Å
473S84.5Confident81.3Confident44 Ų4489.9 Ų89.931%0.30843%0.43SS..  trans-59.5165.5170105.20000111.5E475 E476 K477S473-E475 VanDerWaalsContact C-N 3.3Å; S473-E475 PolarHBondContact O-N 2.79Å; S473-E475 PolarHBondContact OG-N 2.84Å; S473-E475 VanDerWaalsContact OG-N 3.08Å; S473-E475 PolarHBondContact OG-OE2 3.27Å; S473-E476 PolarHBondContact N-OE2 2.79Å; S473-E476 PolarHBondContact OG-N 2.74Å; S473-E476 VanDerWaalsContact OG-N 3.11Å; S473-K477 WeakPolarHBondContact O-CB 3.49Å; S473-K477 PolarHBondContact O-N 2.81Å
474V77.3Confident81.1Confident125 Ų12589.4 Ų89.476%0.75843%0.43SS*.Hα-helixtrans-62.7-38.4175.3179.90000111.1L478V474-L478 PolarHBondContact O-N 3.41Å; V474-L478 VanDerWaalsContact O-N 3.14Å
475E79.1Confident80.5Confident152 Ų15289.8 Ų89.871%0.7143%0.429SS*.Hα-helixtrans-68.4-51.1175.8-58.698.4-176.600111.9S473 K477 L478 E479S473-E475 VanDerWaalsContact C-N 3.3Å; S473-E475 PolarHBondContact O-N 2.79Å; S473-E475 PolarHBondContact OG-N 2.84Å; S473-E475 VanDerWaalsContact OG-N 3.08Å; S473-E475 PolarHBondContact OG-OE2 3.27Å; E475-K477 VanDerWaalsContact C-N 3.26Å; E475-K477 PolarHBondContact O-N 2.91Å; E475-L478 WeakPolarHBondContact O-CB 3.44Å; E475-L478 PolarHBondContact O-N 3.43Å; E475-E479 PolarHBondContact O-N 3.14Å
476E84.5Confident80.5Confident106 Ų10695.1 Ų95.150%0.49545%0.451SS..Hα-helixtrans-56.2-43178.9-68.8-179.2142.700111.6M472 S473 L478 E479 Y480M472-E476 VanDerWaalsContact CA-OE2 3.28Å; M472-E476 WeakPolarHBondContact CA-OE2 3.32Å; M472-E476 HydrophobicContact CB-CB 3.97Å; M472-E476 HydrophobicContact CE-CB 3.79Å; M472-E476 WeakPolarHBondContact CE-O 3.32Å; S473-E476 PolarHBondContact N-OE2 2.79Å; S473-E476 PolarHBondContact OG-N 2.74Å; S473-E476 VanDerWaalsContact OG-N 3.11Å; E476-L478 VanDerWaalsContact C-N 3.34Å; E476-L478 PolarHBondContact O-N 3.25Å; E476-E479 PolarHBondContact O-N 3.05Å; E476-Y480 WeakPolarHBondContact O-CB 3.35Å; E476-Y480 PolarHBondContact O-N 2.98Å
477K80.7Confident80.4Confident81 Ų8192.9 Ų92.935%0.35245%0.446SS..Hα-helixtrans-64.5-37.1177.7-178.2175.4-174.3159.50112.3L469 M472 S473 E475 L481L469-K477 HydrophobicContact CD2-CG 3.87Å; L469-K477 WeakPolarHBondContact O-CD 3.09Å; L469-K477 VanDerWaalsContact O-CE 3.26Å; L469-K477 WeakPolarHBondContact O-CE 3.46Å; L469-K477 PolarHBondContact O-NZ 3.17Å; M472-K477 HydrophobicContact CB-CB 4.34Å; S473-K477 WeakPolarHBondContact O-CB 3.49Å; S473-K477 PolarHBondContact O-N 2.81Å; E475-K477 VanDerWaalsContact C-N 3.26Å; E475-K477 PolarHBondContact O-N 2.91Å; K477-L481 HydrophobicContact CG-CD1 4.26Å; K477-L481 WeakPolarHBondContact O-CB 3.14Å; K477-L481 WeakPolarHBondContact O-CD1 3.37Å; K477-L481 WeakPolarHBondContact O-CG 3.47Å; K477-L481 PolarHBondContact O-N 2.84Å
478L76.6Confident79.5Confident90 Ų9093 Ų9347%0.47144%0.444SS..Hα-helixtrans-64.6-43.5175.8-160.581.9000110.5V474 E475 E476 L481 R482V474-L478 PolarHBondContact O-N 3.41Å; V474-L478 VanDerWaalsContact O-N 3.14Å; E475-L478 WeakPolarHBondContact O-CB 3.44Å; E475-L478 PolarHBondContact O-N 3.43Å; E476-L478 VanDerWaalsContact C-N 3.34Å; E476-L478 PolarHBondContact O-N 3.25Å; L478-L481 PolarHBondContact O-N 2.98Å; L478-R482 WeakPolarHBondContact O-CG 3.16Å; L478-R482 PolarHBondContact O-N 3.45Å; L478-R482 VanDerWaalsContact O-N 3.07Å
479E84.4Confident78.6Confident95 Ų9596.5 Ų96.544%0.44445%0.454SS..Hα-helixtrans-70.7-42.7-178.2-162.251.9-13200112.4E475 E476 L481 R482 Q483E475-E479 PolarHBondContact O-N 3.14Å; E476-E479 PolarHBondContact O-N 3.05Å; E479-L481 VanDerWaalsContact C-N 3.26Å; E479-L481 PolarHBondContact O-N 3.34Å; E479-R482 WeakPolarHBondContact O-CA 3.24Å; E479-R482 WeakPolarHBondContact O-CB 3.38Å; E479-R482 PolarHBondContact O-N 3.07Å; E479-R482 WeakPolarHBondContact OE2-CD 3.48Å; E479-R482 IonicContact OE2-CZ 2.7Å; E479-R482 IonicContact OE2-NE 3.4Å; E479-R482 IonicContact OE2-NH1 3.43Å; E479-R482 PolarHBondContact OE2-NH1 3.46Å; E479-Q483 PolarHBondContact O-N 3.15Å
480Y83.3Confident78.4Confident38 Ų38100.9 Ų100.915%0.14948%0.477CS..Hα-helixtrans-56.4-40.5172.1-176.4-99.5000112.5E465 L469 M472 E476 R482 Q483 K484E465-Y480 HydrophobicContact CG-CE1 4.22Å; E465-Y480 PolarHBondContact OE1-OH 3.36Å; E465-Y480 VanDerWaalsContact OE1-OH 3.1Å; L469-Y480 HydrophobicContact CD2-CD1 3.76Å; L469-Y480 HydrophobicContact CD2-CE1 4.24Å; M472-Y480 HydrophobicContact CE-CD2 4.49Å; M472-Y480 HydrophobicContact CE-CG 4.25Å; M472-Y480 HydrophobicContact SD-CG 4.43Å; E476-Y480 WeakPolarHBondContact O-CB 3.35Å; E476-Y480 PolarHBondContact O-N 2.98Å; Y480-R482 VanDerWaalsContact C-N 3.31Å; Y480-R482 PolarHBondContact O-N 2.89Å; Y480-Q483 PolarHBondContact O-N 3.4Å; Y480-K484 HydrophobicContact CE1-CG 4.12Å; Y480-K484 PolarHBondContact O-N 2.82Å
481L77.4Confident78Confident50 Ų50100 Ų10026%0.26247%0.469SS..Hα-helixtrans-74.7-15.2176.3-68.8173.1000113.8L469 K477 L478 E479 R485L469-L481 HydrophobicContact CD2-CD2 4.16Å; L469-L481 HydrophobicContact CD2-CG 4.18Å; K477-L481 HydrophobicContact CG-CD1 4.26Å; K477-L481 WeakPolarHBondContact O-CB 3.14Å; K477-L481 WeakPolarHBondContact O-CD1 3.37Å; K477-L481 WeakPolarHBondContact O-CG 3.47Å; K477-L481 PolarHBondContact O-N 2.84Å; L478-L481 PolarHBondContact O-N 2.98Å; E479-L481 VanDerWaalsContact C-N 3.26Å; E479-L481 PolarHBondContact O-N 3.34Å; L481-R485 WeakPolarHBondContact O-CG 3.25Å; L481-R485 PolarHBondContact O-NE 3.03Å
482R77.5Confident77Confident137 Ų13797.7 Ų97.752%0.51744%0.444SS..Hα-helixtrans-80.8-48167.9-74.2166.1171.2170.9-3.6110.5L478 E479 Y480 K484 R485 K486L478-R482 WeakPolarHBondContact O-CG 3.16Å; L478-R482 PolarHBondContact O-N 3.45Å; L478-R482 VanDerWaalsContact O-N 3.07Å; E479-R482 WeakPolarHBondContact O-CA 3.24Å; E479-R482 WeakPolarHBondContact O-CB 3.38Å; E479-R482 PolarHBondContact O-N 3.07Å; E479-R482 WeakPolarHBondContact OE2-CD 3.48Å; E479-R482 IonicContact OE2-CZ 2.7Å; E479-R482 IonicContact OE2-NE 3.4Å; E479-R482 IonicContact OE2-NH1 3.43Å; E479-R482 PolarHBondContact OE2-NH1 3.46Å; Y480-R482 VanDerWaalsContact C-N 3.31Å; Y480-R482 PolarHBondContact O-N 2.89Å; R482-K484 PolarHBondContact O-N 3.37Å; R482-R485 WeakPolarHBondContact O-CB 3.33Å; R482-R485 PolarHBondContact O-N 3.4Å; R482-R485 VanDerWaalsContact O-N 3.1Å; R482-K486 PolarHBondContact O-N 3.49Å; R482-K486 VanDerWaalsContact O-N 3.07Å
483Q85.8Confident76.1Confident112 Ų112100 Ų10052%0.52346%0.456SS..Hα-helixtrans-58.7-49.6179.3-174175.2-400112E479 Y480 R485 K486 E487E479-Q483 PolarHBondContact O-N 3.15Å; Y480-Q483 PolarHBondContact O-N 3.4Å; Q483-R485 PolarHBondContact O-N 3.31Å; Q483-K486 WeakPolarHBondContact O-CA 3.49Å; Q483-K486 WeakPolarHBondContact O-CB 3.48Å; Q483-K486 PolarHBondContact O-N 2.69Å; Q483-E487 PolarHBondContact NE2-OE1 3.12Å; Q483-E487 PolarHBondContact O-N 2.94Å
484K78.6Confident75.2Confident69 Ų69103.3 Ų103.330%0.347%0.467SS..Hα-helixtrans-57.4-33.9174.9-85.8-76.4178.9109.50113.5E465 Y480 R482 Y488E465-K484 VanDerWaalsContact CD-NZ 3.26Å; E465-K484 IonicContact OE1-NZ 2.83Å; E465-K484 PolarHBondContact OE1-NZ 2.73Å; E465-K484 IonicContact OE2-NZ 2.67Å; E465-K484 PolarHBondContact OE2-NZ 2.92Å; E465-K484 VanDerWaalsContact OE2-NZ 3.11Å; Y480-K484 HydrophobicContact CE1-CG 4.12Å; Y480-K484 PolarHBondContact O-N 2.82Å; R482-K484 PolarHBondContact O-N 3.37Å; K484-Y488 WeakPolarHBondContact O-CB 3.31Å; K484-Y488 PolarHBondContact O-N 3.26Å; K484-Y488 VanDerWaalsContact O-N 3.1Å
485R70.8Confident74.5Confident124 Ų124103.5 Ų103.547%0.46846%0.459SS..Hα-helixtrans-69.6-34.5174.3-83.7-175.7-105.8-164.7-5.2112.6Y304 L481 R482 Q483 R489Y304-R485 HydrophobicContact CE1-CG 4.27Å; Y304-R485 WeakPolarHBondContact OH-CD 3.21Å; Y304-R485 WeakPolarHBondContact OH-CG 3.36Å; L481-R485 WeakPolarHBondContact O-CG 3.25Å; L481-R485 PolarHBondContact O-NE 3.03Å; R482-R485 WeakPolarHBondContact O-CB 3.33Å; R482-R485 PolarHBondContact O-N 3.4Å; R482-R485 VanDerWaalsContact O-N 3.1Å; Q483-R485 PolarHBondContact O-N 3.31Å; R485-R489 WeakPolarHBondContact O-CG 3.44Å; R485-R489 PolarHBondContact O-N 2.98Å
486K75.9Confident73.8Confident151 Ų151105.5 Ų105.566%0.65746%0.46SS*.Hα-helixtrans-68.5-48175.6-167.6178.3-179.3-178.50111R482 Q483 Y488 R489 L490R482-K486 PolarHBondContact O-N 3.49Å; R482-K486 VanDerWaalsContact O-N 3.07Å; Q483-K486 WeakPolarHBondContact O-CA 3.49Å; Q483-K486 WeakPolarHBondContact O-CB 3.48Å; Q483-K486 PolarHBondContact O-N 2.69Å; K486-Y488 PolarHBondContact O-N 2.97Å; K486-R489 PolarHBondContact O-N 3.22Å; K486-L490 HydrophobicContact CG-CD1 4.48Å; K486-L490 WeakPolarHBondContact O-CG 3.24Å; K486-L490 PolarHBondContact O-N 3.1Å; K486-L490 VanDerWaalsContact O-N 3.12Å
487E78.1Confident73Confident83 Ų83106 Ų10639%0.38846%0.461SS..Hα-helixtrans-58.2-45.6176.5-70168.1-172.400112.5Q483 R489 L490 R491Q483-E487 PolarHBondContact NE2-OE1 3.12Å; Q483-E487 PolarHBondContact O-N 2.94Å; E487-R489 PolarHBondContact O-N 3.31Å; E487-L490 PolarHBondContact O-N 2.81Å; E487-R491 PolarHBondContact O-N 3.07Å; E487-R491 VanDerWaalsContact O-N 3.13Å
488Y64.6Low72.5Confident91 Ų91107.3 Ų107.336%0.35747%0.467SS..Hα-helixtrans-63.1-41.4178179-101000112.6K484 K486 R491 I492K484-Y488 WeakPolarHBondContact O-CB 3.31Å; K484-Y488 PolarHBondContact O-N 3.26Å; K484-Y488 VanDerWaalsContact O-N 3.1Å; K486-Y488 PolarHBondContact O-N 2.97Å; Y488-R491 PolarHBondContact O-N 3.28Å; Y488-I492 HydrophobicContact CD1-CG1 4.5Å; Y488-I492 HydrophobicContact CE1-CG1 4.08Å; Y488-I492 HydrophobicContact CE2-CD1 4.27Å; Y488-I492 HydrophobicContact CE2-CG1 4.16Å; Y488-I492 WeakPolarHBondContact O-CG1 3.14Å; Y488-I492 PolarHBondContact O-N 3.05Å
489R64.5Low72.4Confident179 Ų179106 Ų10668%0.67546%0.462SS*.Hα-helixtrans-60.6-46.2175.7-79.3179.6174.9-177.5-2.6112R485 K486 E487 R491 I492 I493R485-R489 WeakPolarHBondContact O-CG 3.44Å; R485-R489 PolarHBondContact O-N 2.98Å; K486-R489 PolarHBondContact O-N 3.22Å; E487-R489 PolarHBondContact O-N 3.31Å; R489-R491 PolarHBondContact O-N 2.73Å; R489-I492 PolarHBondContact O-N 3.31Å; R489-I493 WeakPolarHBondContact O-CG1 3.43Å; R489-I493 PolarHBondContact O-N 3.22Å; R489-I493 VanDerWaalsContact O-N 3.12Å
490L74.9Confident72Confident105 Ų105105.3 Ų105.355%0.5546%0.459SS..Hα-helixtrans-61.4-42.2-179.9-69.9169.7000112K486 E487 I492 I493 E494K486-L490 HydrophobicContact CG-CD1 4.48Å; K486-L490 WeakPolarHBondContact O-CG 3.24Å; K486-L490 PolarHBondContact O-N 3.1Å; K486-L490 VanDerWaalsContact O-N 3.12Å; E487-L490 PolarHBondContact O-N 2.81Å; L490-I492 PolarHBondContact O-N 2.88Å; L490-I493 PolarHBondContact O-N 3.1Å; L490-E494 PolarHBondContact O-N 3.41Å
491R71.2Confident71.8Confident133 Ų133103.5 Ų103.550%0.50245%0.452SS..Hα-helixtrans-63.3-43179.5-146.4-165.9-54.4165.91.7112.7E487 Y488 R489 I493 E494 E495E487-R491 PolarHBondContact O-N 3.07Å; E487-R491 VanDerWaalsContact O-N 3.13Å; Y488-R491 PolarHBondContact O-N 3.28Å; R489-R491 PolarHBondContact O-N 2.73Å; R491-I493 VanDerWaalsContact C-N 3.3Å; R491-I493 PolarHBondContact O-N 2.93Å; R491-E494 PolarHBondContact O-N 3.12Å; R491-E495 WeakPolarHBondContact O-CG 3.31Å; R491-E495 PolarHBondContact O-N 2.85Å
492I64.6Low71.8Confident42 Ų42107.4 Ų107.422%0.21547%0.467CS..Hα-helixtrans-66.7-30.6177.2-64.5-67.5000112.2Y488 R489 L490 R496Y488-I492 HydrophobicContact CD1-CG1 4.5Å; Y488-I492 HydrophobicContact CE1-CG1 4.08Å; Y488-I492 HydrophobicContact CE2-CD1 4.27Å; Y488-I492 HydrophobicContact CE2-CG1 4.16Å; Y488-I492 WeakPolarHBondContact O-CG1 3.14Å; Y488-I492 PolarHBondContact O-N 3.05Å; R489-I492 PolarHBondContact O-N 3.31Å; L490-I492 PolarHBondContact O-N 2.88Å; I492-R496 WeakPolarHBondContact O-CB 3.4Å; I492-R496 WeakPolarHBondContact O-CD 3.35Å; I492-R496 WeakPolarHBondContact O-CG 3.43Å; I492-R496 PolarHBondContact O-N 2.79Å
493I63.5Low71.6Confident93 Ų93105.4 Ų105.448%0.47747%0.47SS..Hα-helixtrans-68.3-46.5172.9-68.7163.2000109.8R489 L490 R491 R496 K497R489-I493 WeakPolarHBondContact O-CG1 3.43Å; R489-I493 PolarHBondContact O-N 3.22Å; R489-I493 VanDerWaalsContact O-N 3.12Å; L490-I493 PolarHBondContact O-N 3.1Å; R491-I493 VanDerWaalsContact C-N 3.3Å; R491-I493 PolarHBondContact O-N 2.93Å; I493-R496 PolarHBondContact O-N 3.46Å; I493-K497 PolarHBondContact O-N 3.44Å
494E66.8Low70.7Confident113 Ų113101.6 Ų101.653%0.52845%0.453SS..Hα-helixtrans-61.3-47.7179.8-158.164.2-141.200112.3L490 R491 R496 K497L490-E494 PolarHBondContact O-N 3.41Å; R491-E494 PolarHBondContact O-N 3.12Å; E494-R496 PolarHBondContact O-N 3.29Å; E494-R496 VanDerWaalsContact O-N 3.14Å; E494-K497 PolarHBondContact O-N 3.12Å; E494-K497 WeakPolarHBondContact OE1-CD 3.37Å; E494-K497 WeakPolarHBondContact OE1-CE 3.37Å; E494-K497 IonicContact OE1-NZ 2.65Å; E494-K497 PolarHBondContact OE1-NZ 2.9Å; E494-K497 WeakPolarHBondContact OE2-CE 3.41Å; E494-K497 IonicContact OE2-NZ 3.01Å; E494-K497 PolarHBondContact OE2-NZ 3.44Å
495E62.6Low70.1Confident130 Ų130105.1 Ų105.161%0.60747%0.474SS*.Hα-helixtrans-62.1-20.1177.9-73.2168.1-165.600113.7R491R491-E495 WeakPolarHBondContact O-CG 3.31Å; R491-E495 PolarHBondContact O-N 2.85Å
496R63Low69.4Low193 Ų193104.9 Ų104.973%0.72849%0.489SS*.THydrogen-bonded Turntrans-100.7-1.7-179.3-71.6177.9179.7-163.1-0.2114.4I492 I493 E494 K498I492-R496 WeakPolarHBondContact O-CB 3.4Å; I492-R496 WeakPolarHBondContact O-CD 3.35Å; I492-R496 WeakPolarHBondContact O-CG 3.43Å; I492-R496 PolarHBondContact O-N 2.79Å; I493-R496 PolarHBondContact O-N 3.46Å; E494-R496 PolarHBondContact O-N 3.29Å; E494-R496 VanDerWaalsContact O-N 3.14Å; R496-K498 PolarHBondContact O-N 3.33Å
497K67.3Low68.9Low117 Ų117101.1 Ų101.151%0.50947%0.473SS..  trans-61.1122.4175.7-73.1-177.1-176.2169.90110I493 E494I493-K497 PolarHBondContact O-N 3.44Å; E494-K497 PolarHBondContact O-N 3.12Å; E494-K497 WeakPolarHBondContact OE1-CD 3.37Å; E494-K497 WeakPolarHBondContact OE1-CE 3.37Å; E494-K497 IonicContact OE1-NZ 2.65Å; E494-K497 PolarHBondContact OE1-NZ 2.9Å; E494-K497 WeakPolarHBondContact OE2-CE 3.41Å; E494-K497 IonicContact OE2-NZ 3.01Å; E494-K497 PolarHBondContact OE2-NZ 3.44Å
498K71.6Confident68.7Low108 Ų108100 Ų10047%0.4748%0.475SS..  trans-74.8149.5171.5-64.7-178.5179.6174.40109.7R496 R828R496-K498 PolarHBondContact O-N 3.33Å; K498-R828 HydrophobicContact CB-CB 4.48Å
499V73.3Confident69.5Low62 Ų62103.6 Ų103.638%0.37650%0.499SS..BIsolated β-bridgetrans-117.5145.7-177.5178.20000108.4D501 T503 I504 K826 G827 R828V499-D501 PolarHBondContact O-N 3.18Å; V499-T503 VanDerWaalsContact CG1-OG1 3.24Å; V499-T503 WeakPolarHBondContact CG1-OG1 3.48Å; V499-I504 HydrophobicContact CB-CD1 4.16Å; V499-I504 HydrophobicContact CB-CG1 4.05Å; V499-I504 HydrophobicContact CG1-CD1 4.49Å; V499-I504 HydrophobicContact CG1-CG1 3.87Å; V499-K826 PolarHBondContact N-O 3.04Å; V499-G827 CarbonylContact O-C 3.39Å; V499-G827 WeakPolarHBondContact O-CA 3.41Å; V499-R828 PolarHBondContact O-N 3.25Å
500E76.9Confident70.4Confident82 Ų8296.4 Ų96.438%0.38347%0.474SS..  trans-59.1127.1179.6-74.7-61.1163.300111K502 T503 R828E500-K502 PolarHBondContact O-N 3.38Å; E500-K502 VanDerWaalsContact O-N 3.12Å; E500-T503 HydrophobicContact CB-CG2 4.22Å; E500-T503 PolarHBondContact O-N 3.44Å; E500-T503 PolarHBondContact O-OG1 3.47Å; E500-R828 WeakPolarHBondContact OE1-CD 3.12Å; E500-R828 IonicContact OE1-CZ 3.4Å; E500-R828 IonicContact OE1-NE 3.98Å; E500-R828 IonicContact OE1-NH1 2.75Å; E500-R828 PolarHBondContact OE1-NH1 3.07Å
501D79.7Confident71Confident0 Ų092.8 Ų92.80%046%0.457CS..G310 helixtrans-59.7-37.9-161.7-35-85.2000112V499 T503 I504 Q507 R739 L824 G827 R828 R829 E830V499-D501 PolarHBondContact O-N 3.18Å; D501-T503 PolarHBondContact O-N 2.96Å; D501-I504 PolarHBondContact O-N 3.38Å; D501-Q507 PolarHBondContact O-NE2 3.33Å; D501-R739 HydrophobicContact CB-CB 4.12Å; D501-L824 HydrophobicContact CB-CD1 4.29Å; D501-L824 WeakPolarHBondContact O-CD1 3.05Å; D501-G827 WeakPolarHBondContact OD1-CA 3.46Å; D501-R828 PolarHBondContact OD1-N 3.25Å; D501-R829 PolarHBondContact OD1-N 3.01Å; D501-R829 IonicContact OD2-CZ 3.49Å; D501-R829 IonicContact OD2-NE 2.69Å; D501-R829 PolarHBondContact OD2-NE 3.15Å; D501-R829 IonicContact OD2-NH2 2.98Å; D501-R829 PolarHBondContact OD2-NH2 2.85Å; D501-E830 HydrophobicContact CB-CG 4.41Å; D501-E830 PolarHBondContact OD1-N 3.29Å
502K75.9Confident71.6Confident132 Ų13295 Ų9557%0.57447%0.473SS*.G310 helixtrans-65.2-18.3178.9-68.6-172.8175.5-176.40113.9E500 Q507 R739E500-K502 PolarHBondContact O-N 3.38Å; E500-K502 VanDerWaalsContact O-N 3.12Å; K502-Q507 PolarHBondContact O-NE2 3.06Å; K502-R739 WeakPolarHBondContact CE-O 3.33Å
503T73.6Confident72.7Confident95 Ų9593.9 Ų93.958%0.58347%0.468SS*.G310 helixtrans-94.2-13.8-179.667.30000113.5V499 E500 D501V499-T503 VanDerWaalsContact CG1-OG1 3.24Å; V499-T503 WeakPolarHBondContact CG1-OG1 3.48Å; E500-T503 HydrophobicContact CB-CG2 4.22Å; E500-T503 PolarHBondContact O-N 3.44Å; E500-T503 PolarHBondContact O-OG1 3.47Å; D501-T503 PolarHBondContact O-N 2.96Å
504I66.7Low73.8Confident32 Ų3292.8 Ų92.816%0.16446%0.461CS..SBendtrans-77.5127176.3-57.5169.3000107.7V499 D501 Q507 L824 K826V499-I504 HydrophobicContact CB-CD1 4.16Å; V499-I504 HydrophobicContact CB-CG1 4.05Å; V499-I504 HydrophobicContact CG1-CD1 4.49Å; V499-I504 HydrophobicContact CG1-CG1 3.87Å; D501-I504 PolarHBondContact O-N 3.38Å; I504-Q507 WeakPolarHBondContact O-CG 3.32Å; I504-Q507 PolarHBondContact O-NE2 3.42Å; I504-L824 HydrophobicContact CB-CD1 4.11Å; I504-L824 HydrophobicContact CD1-CB 4.46Å; I504-L824 HydrophobicContact CD1-CD1 4.36Å; I504-L824 HydrophobicContact CG2-CD1 4.41Å; I504-L824 HydrophobicContact CG2-CD2 3.99Å; I504-K826 HydrophobicContact CD1-CB 3.9Å
505L65.7Low74.8Confident142 Ų14291.6 Ų91.674%0.74346%0.463SS*.SBendtrans-126.4148.8175.9-69172.9000110.1
506P57.6Low75.9Confident120 Ų12086.5 Ų86.578%0.77944%0.441SS*.SBendcis-75.7158.8-4.732.8-36000112.9
507Q64.3Low76.8Confident71 Ų7185.5 Ų85.533%0.33244%0.444SS..  trans-111.4118.6176.5-78.1174.84000110.3D501 K502 I504 L824D501-Q507 PolarHBondContact O-NE2 3.33Å; K502-Q507 PolarHBondContact O-NE2 3.06Å; I504-Q507 WeakPolarHBondContact O-CG 3.32Å; I504-Q507 PolarHBondContact O-NE2 3.42Å; Q507-L824 HydrophobicContact CG-CD1 4.36Å
508S74.8Confident77.5Confident60 Ų6082.3 Ų82.342%0.4243%0.433SS..PPolyproline II helixtrans-72.3142.2164.5470000110.3R739 A822S508-R739 PolarHBondContact O-NH1 2.84Å; S508-A822 PolarHBondContact OG-O 3.31Å; S508-A822 VanDerWaalsContact OG-O 3.07Å
509L80.6Confident77.9Confident166 Ų16679 Ų7987%0.86942%0.422SS*.PPolyproline II helixtrans-58.9142.6168.2-65.2173.2000110
510L84.9Confident78.1Confident28 Ų2882.3 Ų82.315%0.14744%0.438CS..PPolyproline II helixtrans-79.3138.9170.8-62.6173.2000108.3D738 R739 A822 L823L510-D738 HydrophobicContact CD1-CB 3.74Å; L510-R739 HydrophobicContact CD1-CG 4.26Å; L510-A822 HydrophobicContact CD2-CB 3.96Å; L510-L823 HydrophobicContact CD2-CD2 4.02Å
511P87Confident78.2Confident29 Ų2981.2 Ų81.219%0.18845%0.449CS..PPolyproline II helixtrans-63.2144.717527.9-34.1000110.2Y810 Q818 L819P511-Y810 HydrophobicContact CG-CE1 4.09Å; P511-Y810 PolarHBondContact O-OH 3.48Å; P511-Q818 HydrophobicContact CB-CB 4.43Å; P511-Q818 HydrophobicContact CG-CB 4.18Å; P511-L819 HydrophobicContact CG-CB 4Å
512E84Confident78.5Confident181 Ų18181.7 Ų81.785%0.84645%0.451SS*.PPolyproline II helixtrans-77.9130177.3-63.6-167.3152.700110.5
513P87.1Confident79Confident17 Ų1778.7 Ų78.711%0.1144%0.444CS..PPolyproline II helixtrans-77.6151.9175.732.3-35.6000111.5V756 Y808 Y810P513-V756 HydrophobicContact CB-CG2 4.48Å; P513-Y808 HydrophobicContact CG-CD1 4.06Å; P513-Y808 HydrophobicContact CG-CG 3.91Å; P513-Y808 WeakPolarHBondContact O-CD1 3.37Å; P513-Y810 HydrophobicContact CB-CD1 4.48Å; P513-Y810 HydrophobicContact CB-CD2 4.16Å; P513-Y810 HydrophobicContact CB-CE1 4.09Å; P513-Y810 HydrophobicContact CB-CE2 3.74Å; P513-Y810 HydrophobicContact CG-CE2 4.47Å
514E87.5Confident79.4Confident71 Ų7175.8 Ų75.833%0.33243%0.427SS..EExtended strand (participates in β ladder)trans-65.1135.2174.9-65.2167-157.100110.1Y808 R809 N812E514-Y808 CarbonylContact O-C 3.55Å; E514-Y808 WeakPolarHBondContact O-CA 3.41Å; E514-Y808 WeakPolarHBondContact O-CB 3.35Å; E514-R809 HydrophobicContact CB-CG 4.04Å; E514-R809 PolarHBondContact N-O 3.06Å; E514-R809 PolarHBondContact O-N 3.04Å; E514-R809 IonicContact OE2-CZ 3.84Å; E514-R809 IonicContact OE2-NE 2.77Å; E514-R809 PolarHBondContact OE2-NE 3.45Å; E514-R809 IonicContact OE2-NH2 2.79Å; E514-R809 PolarHBondContact OE2-NH2 3.17Å; E514-N812 PolarHBondContact OE1-ND2 3.36Å
515P86.7Confident80Confident88 Ų8878.2 Ų78.257%0.57145%0.447SS*.EExtended strand (participates in β ladder)trans-63.2144.3169.228.4-33.8000110.3E517 Y808P515-E517 PolarHBondContact O-N 2.86Å; P515-Y808 HydrophobicContact CB-CD1 4.2Å; P515-Y808 HydrophobicContact CB-CE1 4.26Å
516V85.6Confident81Confident22 Ų2272.3 Ų72.313%0.13342%0.416CS..  trans-78.4114.6174.1-179.90000109.1L518 F527 Y755 W807 R809V516-L518 HydrophobicContact CG1-CD2 3.85Å; V516-L518 PolarHBondContact O-N 3.45Å; V516-F527 HydrophobicContact CG1-CE1 4.02Å; V516-F527 HydrophobicContact CG1-CE2 4.15Å; V516-F527 HydrophobicContact CG1-CZ 3.74Å; V516-F527 HydrophobicContact CG2-CE1 4.48Å; V516-Y755 HydrophobicContact CG2-CD1 4.04Å; V516-Y755 HydrophobicContact CG2-CE1 3.89Å; V516-W807 HydrophobicContact CB-CB 4.28Å; V516-W807 HydrophobicContact CG2-CB 4.04Å; V516-W807 PolarHBondContact N-O 2.91Å; V516-R809 HydrophobicContact CG2-CB 4.16Å; V516-R809 HydrophobicContact CG2-CG 4.36Å
517E81.3Confident82.4Confident172 Ų17266.8 Ų66.880%0.80438%0.38SS*.  trans-67.4113.2169.9-65.8177.7174.200109.7P515P515-E517 PolarHBondContact O-N 2.86Å
518L82Confident83.4Confident50 Ų5063.6 Ų63.626%0.26237%0.366SS..PPolyproline II helixtrans-94.6132.9179.9-62.3-178.9000110.7V516 F527V516-L518 HydrophobicContact CG1-CD2 3.85Å; V516-L518 PolarHBondContact O-N 3.45Å; L518-F527 HydrophobicContact CD1-CB 4.28Å; L518-F527 HydrophobicContact CD2-CB 3.68Å; L518-F527 HydrophobicContact CD2-CD1 4.07Å; L518-F527 HydrophobicContact CD2-CD2 3.35Å; L518-F527 HydrophobicContact CD2-CE2 3.95Å; L518-F527 HydrophobicContact CD2-CG 3.41Å; L518-F527 VanDerWaalsContact CD2-CG 3.41Å
519P80.4Confident83.9Confident39 Ų3962.4 Ų62.425%0.25336%0.355SS..PPolyproline II helixtrans-60142.9172.1-24.534.8000112.6G521 I522P519-G521 PolarHBondContact O-N 3.24Å; P519-I522 HydrophobicContact CB-CD1 4.29Å; P519-I522 HydrophobicContact CG-CD1 4.35Å; P519-I522 PolarHBondContact O-N 3.12Å
520D78.6Confident84.3Confident131 Ų13154.5 Ų54.570%0.70131%0.314SS*.THydrogen-bonded Turntrans-56129.8-176.8-25.6-84.4000111.8R562D520-R562 VanDerWaalsContact O-CZ 3.25Å; D520-R562 PolarHBondContact O-NE 3.42Å; D520-R562 PolarHBondContact O-NH2 2.85Å; D520-R562 IonicContact OD2-CZ 2.8Å; D520-R562 IonicContact OD2-NH1 2.75Å; D520-R562 IonicContact OD2-NH2 3.79Å; D520-R562 PolarHBondContact OD2-NH2 3.16Å
521G79.2Confident84.3Confident59 Ų5953.2 Ų53.261%0.60831%0.307SS*.THydrogen-bonded Turntrans94.3-0.4-175.400000115P519 M526P519-G521 PolarHBondContact O-N 3.24Å; G521-M526 WeakPolarHBondContact O-CE 3.36Å
522I85.2Confident84.2Confident11 Ų1152.3 Ų52.36%0.05630%0.302CS..  trans-111.2113.6172-55-176.9000109.1P519 M526 F527 L558 R562 V663P519-I522 HydrophobicContact CB-CD1 4.29Å; P519-I522 HydrophobicContact CG-CD1 4.35Å; P519-I522 PolarHBondContact O-N 3.12Å; I522-M526 HydrophobicContact CG2-CB 4.03Å; I522-F527 HydrophobicContact CG2-CB 4.23Å; I522-L558 HydrophobicContact CD1-CD2 3.63Å; I522-R562 HydrophobicContact CD1-CG 4.35Å; I522-V663 HydrophobicContact CG1-CG1 4.38Å
523T85.4Confident84.3Confident68 Ų6843.7 Ų43.742%0.41726%0.261SS..  trans-80.3167.1174.467.20000111.7S525 M526 F527T523-S525 VanDerWaalsContact C-N 3.26Å; T523-S525 PolarHBondContact O-N 3.22Å; T523-S525 PolarHBondContact OG1-OG 2.81Å; T523-M526 HydrophobicContact CG2-SD 3.97Å; T523-M526 PolarHBondContact O-N 2.99Å; T523-M526 VanDerWaalsContact O-N 3.15Å; T523-M526 VanDerWaalsContact OG1-CG 3.27Å; T523-M526 WeakPolarHBondContact OG1-CG 3.4Å; T523-M526 PolarHBondContact OG1-N 2.81Å; T523-M526 PolarHBondContact OG1-SD 3.2Å; T523-M526 VanDerWaalsContact OG1-SD 3.38Å; T523-F527 PolarHBondContact O-N 3.23Å
524S83Confident84.3Confident34 Ų3442.9 Ų42.924%0.23826%0.256CS..Hα-helixtrans-61.2-31.2176.9-48.80000113.8G528 N805 W807S524-G528 PolarHBondContact O-N 3.5Å; S524-G528 VanDerWaalsContact O-N 3.1Å; S524-N805 WeakPolarHBondContact CB-O 3.42Å; S524-W807 PolarHBondContact O-NE1 3.07Å
525S79.8Confident83.9Confident83 Ų8339.6 Ų39.658%0.5824%0.241SC*.Hα-helixtrans-70.7-43.6173.153.40000111.6T523 F527 G528 D529T523-S525 VanDerWaalsContact C-N 3.26Å; T523-S525 PolarHBondContact O-N 3.22Å; T523-S525 PolarHBondContact OG1-OG 2.81Å; S525-F527 PolarHBondContact O-N 2.86Å; S525-G528 CarbonylContact O-C 3.59Å; S525-G528 VanDerWaalsContact O-CA 3.29Å; S525-G528 WeakPolarHBondContact O-CA 3.25Å; S525-G528 PolarHBondContact O-N 3.48Å; S525-G528 VanDerWaalsContact O-N 3.09Å; S525-D529 PolarHBondContact O-N 3.33Å
526M86.2Confident83.7Confident19 Ų1935.7 Ų35.79%0.09422%0.215CC..Hα-helixtrans-65.4-36.3175.4-66.9163.765.200112.4G521 I522 T523 G528 D529 V530 V663 Q664 L667G521-M526 WeakPolarHBondContact O-CE 3.36Å; I522-M526 HydrophobicContact CG2-CB 4.03Å; T523-M526 HydrophobicContact CG2-SD 3.97Å; T523-M526 PolarHBondContact O-N 2.99Å; T523-M526 VanDerWaalsContact O-N 3.15Å; T523-M526 VanDerWaalsContact OG1-CG 3.27Å; T523-M526 WeakPolarHBondContact OG1-CG 3.4Å; T523-M526 PolarHBondContact OG1-N 2.81Å; T523-M526 PolarHBondContact OG1-SD 3.2Å; T523-M526 VanDerWaalsContact OG1-SD 3.38Å; M526-G528 VanDerWaalsContact C-N 3.28Å; M526-G528 PolarHBondContact O-N 2.98Å; M526-D529 WeakPolarHBondContact O-CB 3.4Å; M526-D529 PolarHBondContact O-N 3.37Å; M526-D529 VanDerWaalsContact O-N 3.09Å; M526-V530 WeakPolarHBondContact O-CG2 3.42Å; M526-V530 PolarHBondContact O-N 2.99Å; M526-V663 HydrophobicContact CE-CB 3.54Å; M526-V663 HydrophobicContact CE-CG1 3.42Å; M526-V663 VanDerWaalsContact CE-CG1 3.42Å; M526-Q664 HydrophobicContact CE-CB 4.26Å; M526-Q664 HydrophobicContact SD-CB 4.49Å; M526-L667 HydrophobicContact CB-CD1 3.88Å; M526-L667 HydrophobicContact CE-CD1 4.43Å; M526-L667 HydrophobicContact CG-CD1 4.34Å
527F87.7Confident83.7Confident3 Ų335 Ų351%0.01321%0.21CC..Hα-helixtrans-62.8-38.4171.1-174.8-105.5000111.5V516 L518 I522 T523 S525 V530 L531 F554 Y755 W807V516-F527 HydrophobicContact CG1-CE1 4.02Å; V516-F527 HydrophobicContact CG1-CE2 4.15Å; V516-F527 HydrophobicContact CG1-CZ 3.74Å; V516-F527 HydrophobicContact CG2-CE1 4.48Å; L518-F527 HydrophobicContact CD1-CB 4.28Å; L518-F527 HydrophobicContact CD2-CB 3.68Å; L518-F527 HydrophobicContact CD2-CD1 4.07Å; L518-F527 HydrophobicContact CD2-CD2 3.35Å; L518-F527 HydrophobicContact CD2-CE2 3.95Å; L518-F527 HydrophobicContact CD2-CG 3.41Å; L518-F527 VanDerWaalsContact CD2-CG 3.41Å; I522-F527 HydrophobicContact CG2-CB 4.23Å; T523-F527 PolarHBondContact O-N 3.23Å; S525-F527 PolarHBondContact O-N 2.86Å; F527-V530 PolarHBondContact O-N 3.45Å; F527-L531 HydrophobicContact CD1-CD1 3.77Å; F527-L531 HydrophobicContact CD1-CG 4.28Å; F527-L531 HydrophobicContact CE1-CD1 3.47Å; F527-L531 VanDerWaalsContact CE1-CD1 3.47Å; F527-L531 HydrophobicContact CE1-CD2 4.26Å; F527-L531 HydrophobicContact CE1-CG 3.95Å; F527-L531 HydrophobicContact CZ-CD1 4.17Å; F527-L531 HydrophobicContact CZ-CD2 4.12Å; F527-L531 HydrophobicContact CZ-CG 4.2Å; F527-L531 WeakPolarHBondContact O-CG 3.47Å; F527-L531 PolarHBondContact O-N 3Å; F527-F554 HydrophobicContact CE2-CE1 4.02Å; F527-F554 AromaticContact CE2-CZ 3.56Å; F527-F554 HydrophobicContact CE2-CZ 3.56Å; F527-F554 HydrophobicContact CZ-CE1 4.28Å; F527-F554 AromaticContact CZ-CZ 3.82Å; F527-F554 HydrophobicContact CZ-CZ 3.82Å; F527-Y755 HydrophobicContact CE1-CD1 4.17Å; F527-Y755 AromaticContact CE1-CE1 3.94Å; F527-Y755 HydrophobicContact CE1-CE1 3.94Å; F527-Y755 HydrophobicContact CZ-CD1 4.41Å; F527-Y755 AromaticContact CZ-CE1 3.73Å; F527-Y755 HydrophobicContact CZ-CE1 3.73Å; F527-W807 HydrophobicContact CD1-CB 4.05Å; F527-W807 AromaticContact CD1-CD1 3.71Å; F527-W807 HydrophobicContact CD1-CD2 4.09Å; F527-W807 AromaticContact CD1-CG 3.67Å; F527-W807 HydrophobicContact CD1-CG 3.67Å; F527-W807 HydrophobicContact CE1-CB 4.12Å; F527-W807 HydrophobicContact CE1-CD2 4.31Å; F527-W807 HydrophobicContact CE1-CG 4.05Å
528G84.1Confident83.5Confident5 Ų529.2 Ų29.25%0.05218%0.183CC..Hα-helixtrans-51.1-56.5164.500000111.3S524 S525 M526 V530 L531 C532 R731S524-G528 PolarHBondContact O-N 3.5Å; S524-G528 VanDerWaalsContact O-N 3.1Å; S525-G528 CarbonylContact O-C 3.59Å; S525-G528 VanDerWaalsContact O-CA 3.29Å; S525-G528 WeakPolarHBondContact O-CA 3.25Å; S525-G528 PolarHBondContact O-N 3.48Å; S525-G528 VanDerWaalsContact O-N 3.09Å; M526-G528 VanDerWaalsContact C-N 3.28Å; M526-G528 PolarHBondContact O-N 2.98Å; G528-V530 VanDerWaalsContact C-N 3.3Å; G528-V530 PolarHBondContact O-N 3.01Å; G528-L531 PolarHBondContact O-N 2.9Å; G528-C532 PolarHBondContact O-N 3.16Å; G528-R731 VanDerWaalsContact C-NH2 3.32Å; G528-R731 VanDerWaalsContact O-CZ 3.22Å; G528-R731 PolarHBondContact O-NH1 3.48Å; G528-R731 PolarHBondContact O-NH2 2.83Å
529D85.7Confident83.2Confident35 Ų3528.3 Ų28.319%0.18718%0.181CC..Hα-helixtrans-57.6-38.5-179.9-77.4-5.6000113.2S525 M526 C532 I533 L667 I671S525-D529 PolarHBondContact O-N 3.33Å; M526-D529 WeakPolarHBondContact O-CB 3.4Å; M526-D529 PolarHBondContact O-N 3.37Å; M526-D529 VanDerWaalsContact O-N 3.09Å; D529-C532 WeakPolarHBondContact O-CB 3.07Å; D529-C532 PolarHBondContact O-N 3.46Å; D529-I533 WeakPolarHBondContact O-CG1 3.42Å; D529-I533 PolarHBondContact O-N 2.89Å; D529-I533 VanDerWaalsContact O-N 3.14Å; D529-L667 HydrophobicContact CB-CB 4.4Å; D529-L667 HydrophobicContact CB-CD1 4.26Å; D529-I671 HydrophobicContact CB-CD1 3.65Å; D529-I671 WeakPolarHBondContact OD2-CD1 3.39Å
530V88.6Confident83.1Confident0 Ų026.8 Ų26.80%017%0.171CC..Hα-helixtrans-60.1-50.6173178.40000112M526 F527 G528 C532 I533 F534 F554 F557 L558 L561 L667M526-V530 WeakPolarHBondContact O-CG2 3.42Å; M526-V530 PolarHBondContact O-N 2.99Å; F527-V530 PolarHBondContact O-N 3.45Å; G528-V530 VanDerWaalsContact C-N 3.3Å; G528-V530 PolarHBondContact O-N 3.01Å; V530-C532 PolarHBondContact O-N 2.57Å; V530-I533 PolarHBondContact O-N 2.65Å; V530-I533 VanDerWaalsContact O-N 3.16Å; V530-F534 HydrophobicContact CG1-CD2 4.16Å; V530-F534 HydrophobicContact CG1-CE2 4.38Å; V530-F534 PolarHBondContact O-N 2.68Å; V530-F534 VanDerWaalsContact O-N 3.13Å; V530-F554 HydrophobicContact CG1-CD2 4.35Å; V530-F554 HydrophobicContact CG1-CE2 3.72Å; V530-F554 HydrophobicContact CG1-CZ 4.37Å; V530-F557 HydrophobicContact CG1-CD1 3.89Å; V530-F557 HydrophobicContact CG1-CE1 3.99Å; V530-F557 HydrophobicContact CG2-CE1 4.31Å; V530-L558 HydrophobicContact CB-CD2 4.47Å; V530-L558 HydrophobicContact CG1-CD2 3.98Å; V530-L558 HydrophobicContact CG1-CG 4.49Å; V530-L558 HydrophobicContact CG2-CD2 4.01Å; V530-L561 HydrophobicContact CG2-CD1 3.87Å; V530-L667 HydrophobicContact CG2-CD1 4.14Å; V530-L667 HydrophobicContact CG2-CD2 3.67Å
531L86.4Confident83.1Confident0 Ų022.4 Ų22.40%015%0.152CC..Hα-helixtrans-59.2-32.7177.9-67.9170.4000111.8F527 G528 A535 F554 F747 V751 W807F527-L531 HydrophobicContact CD1-CD1 3.77Å; F527-L531 HydrophobicContact CD1-CG 4.28Å; F527-L531 HydrophobicContact CE1-CD1 3.47Å; F527-L531 VanDerWaalsContact CE1-CD1 3.47Å; F527-L531 HydrophobicContact CE1-CD2 4.26Å; F527-L531 HydrophobicContact CE1-CG 3.95Å; F527-L531 HydrophobicContact CZ-CD1 4.17Å; F527-L531 HydrophobicContact CZ-CD2 4.12Å; F527-L531 HydrophobicContact CZ-CG 4.2Å; F527-L531 WeakPolarHBondContact O-CG 3.47Å; F527-L531 PolarHBondContact O-N 3Å; G528-L531 PolarHBondContact O-N 2.9Å; L531-A535 WeakPolarHBondContact O-CB 3.46Å; L531-A535 PolarHBondContact O-N 3.25Å; L531-F554 HydrophobicContact CD2-CE2 3.82Å; L531-F554 HydrophobicContact CD2-CZ 3.77Å; L531-F747 HydrophobicContact CB-CD2 4.41Å; L531-F747 HydrophobicContact CB-CE1 4.27Å; L531-F747 HydrophobicContact CB-CE2 4.1Å; L531-F747 HydrophobicContact CB-CZ 4.01Å; L531-F747 HydrophobicContact CD1-CD2 4.45Å; L531-F747 HydrophobicContact CD1-CE2 3.65Å; L531-F747 HydrophobicContact CD1-CZ 3.92Å; L531-F747 HydrophobicContact CD2-CD2 3.73Å; L531-F747 HydrophobicContact CD2-CE2 3.8Å; L531-F747 HydrophobicContact CD2-CG 4.44Å; L531-F747 HydrophobicContact CG-CD2 4.43Å; L531-F747 HydrophobicContact CG-CE2 4.07Å; L531-F747 HydrophobicContact CG-CZ 4.4Å; L531-V751 HydrophobicContact CD2-CG1 3.78Å; L531-W807 HydrophobicContact CD1-CD2 4.13Å; L531-W807 HydrophobicContact CD1-CE3 3.91Å; L531-W807 HydrophobicContact CD1-CH2 3.94Å; L531-W807 HydrophobicContact CD1-CZ2 4.13Å; L531-W807 HydrophobicContact CD1-CZ3 3.8Å
532C83.1Confident83Confident11 Ų1122.7 Ų22.77%0.07416%0.155CC..Hα-helixtrans-64.3-45.9176.5-142.30000112G528 D529 V530 A535 F536 R731G528-C532 PolarHBondContact O-N 3.16Å; D529-C532 WeakPolarHBondContact O-CB 3.07Å; D529-C532 PolarHBondContact O-N 3.46Å; V530-C532 PolarHBondContact O-N 2.57Å; C532-A535 PolarHBondContact O-N 2.71Å; C532-F536 PolarHBondContact O-N 2.91Å; C532-F536 VanDerWaalsContact O-N 3.08Å; C532-R731 VanDerWaalsContact SG-CD 3.56Å; C532-R731 PolarHBondContact SG-NH1 3.09Å; C532-R731 VanDerWaalsContact SG-NH1 3.44Å
533I87.1Confident82.9Confident0 Ų022.8 Ų22.80%016%0.156CC..Hα-helixtrans-63.7-45.1179-65.4161.7000110.4D529 V530 F536 I537 F557 F578 L667 F670 I671 M674D529-I533 WeakPolarHBondContact O-CG1 3.42Å; D529-I533 PolarHBondContact O-N 2.89Å; D529-I533 VanDerWaalsContact O-N 3.14Å; V530-I533 PolarHBondContact O-N 2.65Å; V530-I533 VanDerWaalsContact O-N 3.16Å; I533-F536 PolarHBondContact O-N 3.46Å; I533-I537 HydrophobicContact CG2-CD1 3.87Å; I533-I537 WeakPolarHBondContact O-CG1 3.16Å; I533-I537 PolarHBondContact O-N 3.4Å; I533-F557 HydrophobicContact CD1-CZ 4.2Å; I533-F557 HydrophobicContact CG2-CZ 4.4Å; I533-F578 HydrophobicContact CG2-CZ 4.29Å; I533-L667 HydrophobicContact CD1-CD2 3.54Å; I533-F670 HydrophobicContact CD1-CB 3.71Å; I533-F670 HydrophobicContact CD1-CD2 4.34Å; I533-F670 HydrophobicContact CD1-CG 4.35Å; I533-F670 HydrophobicContact CG1-CB 4.12Å; I533-I671 HydrophobicContact CG1-CG1 4.42Å; I533-M674 HydrophobicContact CB-SD 4.18Å; I533-M674 HydrophobicContact CG1-SD 3.73Å; I533-M674 HydrophobicContact CG2-SD 4.43Å
534F86.2Confident82.7Confident0 Ų019.5 Ų19.50%014%0.136CC..Hα-helixtrans-65.8-39.9178.2-90.1-92.3000113.5V530 F536 I537 E538 L552 F554 F557 L750 V751V530-F534 HydrophobicContact CG1-CD2 4.16Å; V530-F534 HydrophobicContact CG1-CE2 4.38Å; V530-F534 PolarHBondContact O-N 2.68Å; V530-F534 VanDerWaalsContact O-N 3.13Å; F534-F536 VanDerWaalsContact C-N 3.3Å; F534-F536 PolarHBondContact O-N 2.98Å; F534-I537 PolarHBondContact O-N 3.06Å; F534-E538 PolarHBondContact O-N 3.48Å; F534-L552 HydrophobicContact CE1-CD1 3.94Å; F534-L552 HydrophobicContact CE1-CG 4.26Å; F534-L552 HydrophobicContact CZ-CD1 3.94Å; F534-F554 HydrophobicContact CD1-CD2 4.32Å; F534-F554 AromaticContact CD2-CD2 3.83Å; F534-F554 HydrophobicContact CD2-CD2 3.83Å; F534-F554 HydrophobicContact CD2-CE2 4.32Å; F534-F554 HydrophobicContact CE1-CB 4.28Å; F534-F554 HydrophobicContact CE1-CD2 4.47Å; F534-F554 AromaticContact CE2-CD2 3.99Å; F534-F554 HydrophobicContact CE2-CD2 3.99Å; F534-F554 AromaticContact CG-CD2 4Å; F534-F554 HydrophobicContact CG-CD2 4Å; F534-F554 HydrophobicContact CZ-CB 4.37Å; F534-F554 HydrophobicContact CZ-CD2 4.32Å; F534-F557 HydrophobicContact CD2-CD1 4.45Å; F534-F557 HydrophobicContact CE2-CB 3.65Å; F534-F557 AromaticContact CE2-CD1 3.6Å; F534-F557 HydrophobicContact CE2-CD1 3.6Å; F534-F557 HydrophobicContact CE2-CD2 4.37Å; F534-F557 HydrophobicContact CE2-CE1 4.26Å; F534-F557 AromaticContact CE2-CG 3.64Å; F534-F557 HydrophobicContact CE2-CG 3.64Å; F534-F557 HydrophobicContact CZ-CB 3.68Å; F534-F557 HydrophobicContact CZ-CD1 4.49Å; F534-F557 HydrophobicContact CZ-CG 4.11Å; F534-L750 HydrophobicContact CD1-CB 3.79Å; F534-L750 HydrophobicContact CD1-CD1 4.22Å; F534-L750 HydrophobicContact CE1-CB 4.24Å; F534-V751 HydrophobicContact CB-CG2 3.61Å; F534-V751 HydrophobicContact CD1-CG2 4.14Å; F534-V751 HydrophobicContact CG-CG2 4.02Å
535A79.9Confident82.2Confident1 Ų122.3 Ų22.31%0.00815%0.148CC..Hα-helixtrans-62.3-38.4175.200000112.1L531 C532 S539 C729 F747L531-A535 WeakPolarHBondContact O-CB 3.46Å; L531-A535 PolarHBondContact O-N 3.25Å; C532-A535 PolarHBondContact O-N 2.71Å; A535-S539 PolarHBondContact O-N 3.33Å; A535-S539 VanDerWaalsContact O-N 3.14Å; A535-S539 PolarHBondContact O-OG 3.34Å; A535-C729 PolarHBondContact O-SG 2.74Å; A535-F747 HydrophobicContact CB-CD1 3.93Å
536F83.4Confident81.5Confident7 Ų719.5 Ų19.53%0.03113%0.129CC..Hα-helixtrans-65.8-44.7173.7-175.6-87.6000111.8C532 I533 F534 E538 S539 F540 L544 F578 M674 L677 L678C532-F536 PolarHBondContact O-N 2.91Å; C532-F536 VanDerWaalsContact O-N 3.08Å; I533-F536 PolarHBondContact O-N 3.46Å; F534-F536 VanDerWaalsContact C-N 3.3Å; F534-F536 PolarHBondContact O-N 2.98Å; F536-E538 PolarHBondContact O-N 3.2Å; F536-S539 WeakPolarHBondContact CA-OG 3.24Å; F536-S539 PolarHBondContact O-N 3.36Å; F536-S539 PolarHBondContact O-OG 2.92Å; F536-S539 VanDerWaalsContact O-OG 3.11Å; F536-F540 HydrophobicContact CD1-CD2 4.14Å; F536-F540 AromaticContact CD2-CD2 3.5Å; F536-F540 HydrophobicContact CD2-CD2 3.5Å; F536-F540 AromaticContact CD2-CE2 3.63Å; F536-F540 HydrophobicContact CD2-CE2 3.63Å; F536-F540 HydrophobicContact CE1-CB 4.32Å; F536-F540 HydrophobicContact CE1-CD2 4.09Å; F536-F540 HydrophobicContact CE1-CG 4.42Å; F536-F540 AromaticContact CE2-CD2 3.43Å; F536-F540 HydrophobicContact CE2-CD2 3.43Å; F536-F540 VanDerWaalsContact CE2-CD2 3.43Å; F536-F540 AromaticContact CE2-CE2 3.51Å; F536-F540 HydrophobicContact CE2-CE2 3.51Å; F536-F540 HydrophobicContact CE2-CG 4.27Å; F536-F540 HydrophobicContact CE2-CZ 4.4Å; F536-F540 AromaticContact CG-CD2 3.87Å; F536-F540 HydrophobicContact CG-CD2 3.87Å; F536-F540 HydrophobicContact CG-CE2 4.41Å; F536-F540 AromaticContact CZ-CD2 3.75Å; F536-F540 HydrophobicContact CZ-CD2 3.75Å; F536-F540 HydrophobicContact CZ-CE2 4.22Å; F536-F540 HydrophobicContact CZ-CG 4.17Å; F536-F540 WeakPolarHBondContact O-CB 3.38Å; F536-F540 WeakPolarHBondContact O-CD2 3.18Å; F536-F540 PolarHBondContact O-N 3.35Å; F536-L544 HydrophobicContact CD1-CD1 3.99Å; F536-L544 HydrophobicContact CE1-CD1 3.89Å; F536-L544 HydrophobicContact CE1-CD2 4.48Å; F536-F578 AromaticContact CD1-CE1 3.75Å; F536-F578 HydrophobicContact CD1-CE1 3.75Å; F536-F578 HydrophobicContact CE1-CD1 4.21Å; F536-F578 AromaticContact CE1-CE1 3.73Å; F536-F578 HydrophobicContact CE1-CE1 3.73Å; F536-M674 HydrophobicContact CB-CE 3.5Å; F536-M674 HydrophobicContact CB-SD 4.07Å; F536-M674 HydrophobicContact CD1-CE 4.47Å; F536-M674 HydrophobicContact CD1-CG 3.75Å; F536-M674 HydrophobicContact CD1-SD 4.3Å; F536-M674 HydrophobicContact CD2-CB 4.38Å; F536-M674 HydrophobicContact CD2-CE 3.92Å; F536-M674 HydrophobicContact CD2-CG 4.23Å; F536-M674 HydrophobicContact CE1-CG 3.93Å; F536-M674 HydrophobicContact CE2-CB 4.29Å; F536-M674 HydrophobicContact CE2-CG 4.39Å; F536-M674 HydrophobicContact CG-CE 3.73Å; F536-M674 HydrophobicContact CG-CG 3.91Å; F536-M674 HydrophobicContact CG-SD 4.12Å; F536-M674 HydrophobicContact CZ-CB 4.37Å; F536-M674 HydrophobicContact CZ-CG 4.24Å; F536-L677 HydrophobicContact CE1-CD1 3.82Å; F536-L677 HydrophobicContact CZ-CB 4.08Å; F536-L677 HydrophobicContact CZ-CD1 3.84Å; F536-L678 HydrophobicContact CE2-CD1 4.29Å; F536-L678 HydrophobicContact CE2-CD2 3.88Å; F536-L678 HydrophobicContact CE2-CG 3.89Å
537I85Confident80.1Confident7 Ų727.3 Ų27.34%0.03617%0.165CC..Hα-helixtrans-62-45.7178.7-65.2163.1000110.9I533 F534 S539 F540 A541 L544 L552 M574 F578 L750I533-I537 HydrophobicContact CG2-CD1 3.87Å; I533-I537 WeakPolarHBondContact O-CG1 3.16Å; I533-I537 PolarHBondContact O-N 3.4Å; F534-I537 PolarHBondContact O-N 3.06Å; I537-S539 PolarHBondContact O-N 3.4Å; I537-F540 CarbonylContact O-C 3.33Å; I537-F540 PolarHBondContact O-N 2.76Å; I537-A541 WeakPolarHBondContact O-CA 3.49Å; I537-A541 WeakPolarHBondContact O-CB 3.46Å; I537-A541 PolarHBondContact O-N 2.95Å; I537-L544 HydrophobicContact CB-CD1 4.41Å; I537-L544 HydrophobicContact CG1-CD1 4.21Å; I537-L552 HydrophobicContact CG2-CD2 3.81Å; I537-M574 HydrophobicContact CD1-CE 3.49Å; I537-M574 VanDerWaalsContact CD1-CE 3.49Å; I537-F578 HydrophobicContact CD1-CZ 4.15Å; I537-F578 HydrophobicContact CG1-CZ 3.97Å; I537-L750 HydrophobicContact CG2-CD1 4.23Å
538E77.7Confident78.6Confident50 Ų5030 Ų3023%0.23419%0.193CC..Hα-helixtrans-60.9-41177.9-174.883.3154.400112.6F534 F536 S749 L750F534-E538 PolarHBondContact O-N 3.48Å; F536-E538 PolarHBondContact O-N 3.2Å; E538-S749 WeakPolarHBondContact OE1-CB 3.31Å; E538-S749 PolarHBondContact OE1-N 3.25Å; E538-S749 PolarHBondContact OE1-OG 3.02Å; E538-S749 PolarHBondContact OE2-OG 2.93Å; E538-L750 HydrophobicContact CB-CD1 4.45Å; E538-L750 WeakPolarHBondContact OE2-CD1 3.12Å; E538-L750 WeakPolarHBondContact OE2-CG 3.47Å
539S74.2Confident77.6Confident31 Ų3130.6 Ų30.622%0.21720%0.195CC..Hα-helixtrans-76.4-31.8-179.342.40000114.3A535 F536 I537 C729A535-S539 PolarHBondContact O-N 3.33Å; A535-S539 VanDerWaalsContact O-N 3.14Å; A535-S539 PolarHBondContact O-OG 3.34Å; F536-S539 WeakPolarHBondContact CA-OG 3.24Å; F536-S539 PolarHBondContact O-N 3.36Å; F536-S539 PolarHBondContact O-OG 2.92Å; F536-S539 VanDerWaalsContact O-OG 3.11Å; I537-S539 PolarHBondContact O-N 3.4Å; S539-C729 VanDerWaalsContact OG-CB 3.25Å; S539-C729 WeakPolarHBondContact OG-CB 3.48Å
540F78.3Confident76.2Confident8 Ų834.4 Ų34.44%0.03522%0.221CC..Hα-helixtrans-104.316.2-180-64.3-78.4000113F536 I537 G542 L543 L544 L678 V683 F686 T687F536-F540 HydrophobicContact CD1-CD2 4.14Å; F536-F540 AromaticContact CD2-CD2 3.5Å; F536-F540 HydrophobicContact CD2-CD2 3.5Å; F536-F540 AromaticContact CD2-CE2 3.63Å; F536-F540 HydrophobicContact CD2-CE2 3.63Å; F536-F540 HydrophobicContact CE1-CB 4.32Å; F536-F540 HydrophobicContact CE1-CD2 4.09Å; F536-F540 HydrophobicContact CE1-CG 4.42Å; F536-F540 AromaticContact CE2-CD2 3.43Å; F536-F540 HydrophobicContact CE2-CD2 3.43Å; F536-F540 VanDerWaalsContact CE2-CD2 3.43Å; F536-F540 AromaticContact CE2-CE2 3.51Å; F536-F540 HydrophobicContact CE2-CE2 3.51Å; F536-F540 HydrophobicContact CE2-CG 4.27Å; F536-F540 HydrophobicContact CE2-CZ 4.4Å; F536-F540 AromaticContact CG-CD2 3.87Å; F536-F540 HydrophobicContact CG-CD2 3.87Å; F536-F540 HydrophobicContact CG-CE2 4.41Å; F536-F540 AromaticContact CZ-CD2 3.75Å; F536-F540 HydrophobicContact CZ-CD2 3.75Å; F536-F540 HydrophobicContact CZ-CE2 4.22Å; F536-F540 HydrophobicContact CZ-CG 4.17Å; F536-F540 WeakPolarHBondContact O-CB 3.38Å; F536-F540 WeakPolarHBondContact O-CD2 3.18Å; F536-F540 PolarHBondContact O-N 3.35Å; I537-F540 CarbonylContact O-C 3.33Å; I537-F540 PolarHBondContact O-N 2.76Å; F540-G542 PolarHBondContact O-N 3.31Å; F540-L543 HydrophobicContact CD1-CD2 4.34Å; F540-L543 WeakPolarHBondContact O-CA 3.29Å; F540-L543 WeakPolarHBondContact O-CB 3.43Å; F540-L543 PolarHBondContact O-N 2.88Å; F540-L544 HydrophobicContact CB-CD1 3.85Å; F540-L544 HydrophobicContact CB-CG 4.1Å; F540-L544 WeakPolarHBondContact O-CB 3.45Å; F540-L544 WeakPolarHBondContact O-CG 3.29Å; F540-L544 PolarHBondContact O-N 3.23Å; F540-L678 HydrophobicContact CE2-CD2 4.24Å; F540-L678 HydrophobicContact CZ-CD2 4.03Å; F540-V683 HydrophobicContact CE1-CG1 3.84Å; F540-V683 HydrophobicContact CZ-CG1 4.27Å; F540-F686 AromaticContact CD1-CD1 3.66Å; F540-F686 HydrophobicContact CD1-CD1 3.66Å; F540-F686 AromaticContact CD1-CE1 3.63Å; F540-F686 HydrophobicContact CD1-CE1 3.63Å; F540-F686 HydrophobicContact CE1-CD1 4.02Å; F540-F686 HydrophobicContact CE1-CE1 4.23Å; F540-T687 HydrophobicContact CE1-CG2 3.91Å; F540-T687 HydrophobicContact CZ-CG2 4.4Å
541A79.2Confident75.2Confident38 Ų3838.9 Ų38.931%0.31424%0.242SC..THydrogen-bonded Turntrans-59.3-13.4176.700000115.1I537 L544I537-A541 WeakPolarHBondContact O-CA 3.49Å; I537-A541 WeakPolarHBondContact O-CB 3.46Å; I537-A541 PolarHBondContact O-N 2.95Å; A541-L544 CarbonylContact C-O 3.57Å
542G77Confident74.7Confident65 Ų6540 Ų4067%0.6725%0.248SC*.THydrogen-bonded Turntrans-89.8-4.8170.500000114.7F540 F686F540-G542 PolarHBondContact O-N 3.31Å; G542-F686 VanDerWaalsContact C-CE2 3.41Å
543L82.5Confident74.4Confident13 Ų1340.5 Ų40.57%0.06825%0.252CS..THydrogen-bonded Turntrans-117.1-46.4-179169.261.5000111.1F540 A581 K584 T682 V683 F686F540-L543 HydrophobicContact CD1-CD2 4.34Å; F540-L543 WeakPolarHBondContact O-CA 3.29Å; F540-L543 WeakPolarHBondContact O-CB 3.43Å; F540-L543 PolarHBondContact O-N 2.88Å; L543-A581 HydrophobicContact CD1-CB 4.44Å; L543-A581 HydrophobicContact CG-CB 4.19Å; L543-K584 HydrophobicContact CD1-CD 4.38Å; L543-K584 PolarHBondContact O-NZ 3.42Å; L543-T682 HydrophobicContact CD1-CG2 3.55Å; L543-V683 HydrophobicContact CD2-CG2 3.58Å; L543-F686 HydrophobicContact CB-CD1 4.16Å; L543-F686 HydrophobicContact CB-CD2 3.91Å; L543-F686 HydrophobicContact CB-CE1 4.26Å; L543-F686 HydrophobicContact CB-CE2 4.04Å; L543-F686 HydrophobicContact CB-CG 3.97Å; L543-F686 HydrophobicContact CB-CZ 4.21Å; L543-F686 HydrophobicContact CD2-CB 4.36Å; L543-F686 HydrophobicContact CD2-CD1 4.45Å; L543-F686 HydrophobicContact CD2-CG 4.4Å
544L82.3Confident74.3Confident0 Ų041.4 Ų41.40%026%0.256CS..SBendtrans-73.5122.7164.3-57.4171.1000106.9F536 I537 F540 A541 S546 I577 F578 A581 L677F536-L544 HydrophobicContact CD1-CD1 3.99Å; F536-L544 HydrophobicContact CE1-CD1 3.89Å; F536-L544 HydrophobicContact CE1-CD2 4.48Å; I537-L544 HydrophobicContact CB-CD1 4.41Å; I537-L544 HydrophobicContact CG1-CD1 4.21Å; F540-L544 HydrophobicContact CB-CD1 3.85Å; F540-L544 HydrophobicContact CB-CG 4.1Å; F540-L544 WeakPolarHBondContact O-CB 3.45Å; F540-L544 WeakPolarHBondContact O-CG 3.29Å; F540-L544 PolarHBondContact O-N 3.23Å; A541-L544 CarbonylContact C-O 3.57Å; L544-S546 PolarHBondContact O-N 2.9Å; L544-I577 HydrophobicContact CB-CG2 3.59Å; L544-I577 HydrophobicContact CD2-CG2 3.96Å; L544-I577 HydrophobicContact CG-CG2 4.29Å; L544-F578 HydrophobicContact CD2-CD1 4.21Å; L544-A581 HydrophobicContact CD2-CB 3.81Å; L544-L677 HydrophobicContact CD2-CD1 4.01Å
545D71.6Confident74.2Confident92 Ų9247.9 Ų47.949%0.49228%0.284SS..  trans-80.258.5-177.3-155.3-12.5000111.1E547 G548D545-E547 PolarHBondContact O-N 2.96Å; D545-E547 VanDerWaalsContact O-N 3.15Å; D545-G548 PolarHBondContact O-N 3.25Å
546S64.9Low74.4Confident25 Ų2548.9 Ų48.918%0.17529%0.289CS..G310 helixtrans-68.5-11.1-171.654.30000113.7L544 G548 L549L544-S546 PolarHBondContact O-N 2.9Å; S546-G548 PolarHBondContact O-N 3.27Å; S546-L549 PolarHBondContact O-N 2.95Å; S546-L549 VanDerWaalsContact O-N 3.1Å
547E57.5Low74.6Confident183 Ų18348.6 Ų48.686%0.85529%0.288SS*.G310 helixtrans-61-22.1168.3-63.1-166.917600111.8D545 L549D545-E547 PolarHBondContact O-N 2.96Å; D545-E547 VanDerWaalsContact O-N 3.15Å; E547-L549 VanDerWaalsContact C-N 3.28Å; E547-L549 PolarHBondContact O-N 3.02Å
548G55.1Low74.7Confident58 Ų5849.1 Ų49.160%0.59829%0.291SS*.G310 helixtrans-70.7-11.5172.600000115.6D545 S546 P550D545-G548 PolarHBondContact O-N 3.25Å; S546-G548 PolarHBondContact O-N 3.27Å; G548-P550 WeakPolarHBondContact O-CD 3.46Å
549L63.8Low75Confident19 Ų1950.5 Ų50.510%0.09930%0.297CS..  trans-10192.3175.2-69.6175.2000111.4S546 E547 E551 L552 E573 M574 I577S546-L549 PolarHBondContact O-N 2.95Å; S546-L549 VanDerWaalsContact O-N 3.1Å; E547-L549 VanDerWaalsContact C-N 3.28Å; E547-L549 PolarHBondContact O-N 3.02Å; L549-E551 PolarHBondContact O-N 2.79Å; L549-E551 VanDerWaalsContact O-N 3.11Å; L549-L552 HydrophobicContact CB-CB 3.84Å; L549-L552 HydrophobicContact CD1-CB 3.97Å; L549-L552 HydrophobicContact CD1-CD1 4.19Å; L549-L552 HydrophobicContact CD1-CD2 4.06Å; L549-L552 HydrophobicContact CD1-CG 4.28Å; L549-E573 HydrophobicContact CD2-CB 3.88Å; L549-M574 HydrophobicContact CD1-SD 3.53Å; L549-M574 VanDerWaalsContact CD1-SD 3.53Å; L549-I577 HydrophobicContact CD1-CD1 3.3Å; L549-I577 HydrophobicContact CD2-CD1 3.88Å; L549-I577 HydrophobicContact CG-CD1 3.38Å
550P56.7Low75.6Confident114 Ų11450.3 Ų50.374%0.7429%0.293SS*.THydrogen-bonded Turntrans-64.7-13.617625.9-34.4000114.1G548G548-P550 WeakPolarHBondContact O-CD 3.46Å
551E66.7Low76.1Confident94 Ų9450 Ų5044%0.43929%0.292SS..THydrogen-bonded Turntrans-12416.8-171.2-60-174.6-175.100114.2L549 S553 N556L549-E551 PolarHBondContact O-N 2.79Å; L549-E551 VanDerWaalsContact O-N 3.11Å; E551-S553 PolarHBondContact O-N 3.41Å; E551-N556 PolarHBondContact O-ND2 3.09Å; E551-N556 VanDerWaalsContact O-ND2 3.1Å
552L75.8Confident76.3Confident23 Ų2353.4 Ų53.412%0.1230%0.296CS..  trans-67.893.8177.4-178.860.2000111.2F534 I537 L549 M574 L750F534-L552 HydrophobicContact CE1-CD1 3.94Å; F534-L552 HydrophobicContact CE1-CG 4.26Å; F534-L552 HydrophobicContact CZ-CD1 3.94Å; I537-L552 HydrophobicContact CG2-CD2 3.81Å; L549-L552 HydrophobicContact CB-CB 3.84Å; L549-L552 HydrophobicContact CD1-CB 3.97Å; L549-L552 HydrophobicContact CD1-CD1 4.19Å; L549-L552 HydrophobicContact CD1-CD2 4.06Å; L549-L552 HydrophobicContact CD1-CG 4.28Å; L552-M574 HydrophobicContact CD1-CE 3.98Å; L552-M574 HydrophobicContact CD1-SD 3.7Å; L552-L750 HydrophobicContact CD2-CD1 4.03Å; L552-L750 HydrophobicContact CD2-CD2 4.46Å
553S78.3Confident76.5Confident23 Ų2353.5 Ų53.516%0.16128%0.279CS..  trans-123.7145.9172.792.10000111.2E551 K555 N556 F557 Y570E551-S553 PolarHBondContact O-N 3.41Å; S553-K555 PolarHBondContact O-N 2.98Å; S553-N556 PolarHBondContact O-N 3.42Å; S553-N556 VanDerWaalsContact OG-CB 3.3Å; S553-N556 WeakPolarHBondContact OG-CB 3.45Å; S553-N556 PolarHBondContact OG-N 2.74Å; S553-N556 PolarHBondContact OG-ND2 3.45Å; S553-N556 PolarHBondContact OG-OD1 3.26Å; S553-F557 PolarHBondContact O-N 3.42Å; S553-Y570 PolarHBondContact O-OH 3.21Å
554F84.8Confident76Confident19 Ų1958.5 Ų58.58%0.08330%0.302CS..Hα-helixtrans-57.5-38.8177.7-175.7-108000112.3F527 V530 L531 F534 L558 L750 V751F527-F554 HydrophobicContact CE2-CE1 4.02Å; F527-F554 AromaticContact CE2-CZ 3.56Å; F527-F554 HydrophobicContact CE2-CZ 3.56Å; F527-F554 HydrophobicContact CZ-CE1 4.28Å; F527-F554 AromaticContact CZ-CZ 3.82Å; F527-F554 HydrophobicContact CZ-CZ 3.82Å; V530-F554 HydrophobicContact CG1-CD2 4.35Å; V530-F554 HydrophobicContact CG1-CE2 3.72Å; V530-F554 HydrophobicContact CG1-CZ 4.37Å; L531-F554 HydrophobicContact CD2-CE2 3.82Å; L531-F554 HydrophobicContact CD2-CZ 3.77Å; F534-F554 HydrophobicContact CD1-CD2 4.32Å; F534-F554 AromaticContact CD2-CD2 3.83Å; F534-F554 HydrophobicContact CD2-CD2 3.83Å; F534-F554 HydrophobicContact CD2-CE2 4.32Å; F534-F554 HydrophobicContact CE1-CB 4.28Å; F534-F554 HydrophobicContact CE1-CD2 4.47Å; F534-F554 AromaticContact CE2-CD2 3.99Å; F534-F554 HydrophobicContact CE2-CD2 3.99Å; F534-F554 AromaticContact CG-CD2 4Å; F534-F554 HydrophobicContact CG-CD2 4Å; F534-F554 HydrophobicContact CZ-CB 4.37Å; F534-F554 HydrophobicContact CZ-CD2 4.32Å; F554-L558 HydrophobicContact CD1-CD1 3.91Å; F554-L558 HydrophobicContact CE1-CD1 3.59Å; F554-L558 HydrophobicContact CZ-CD1 4.03Å; F554-L558 WeakPolarHBondContact O-CG 3.39Å; F554-L558 PolarHBondContact O-N 3.35Å; F554-L750 WeakPolarHBondContact CB-O 3.35Å; F554-V751 HydrophobicContact CD1-CG1 4.36Å; F554-V751 HydrophobicContact CD2-CB 4.44Å; F554-V751 HydrophobicContact CD2-CG1 4.03Å; F554-V751 HydrophobicContact CD2-CG2 3.83Å; F554-V751 HydrophobicContact CE1-CG1 4.26Å; F554-V751 HydrophobicContact CE2-CG1 3.92Å; F554-V751 HydrophobicContact CE2-CG2 4.15Å; F554-V751 HydrophobicContact CG-CG1 4.24Å; F554-V751 HydrophobicContact CG-CG2 4.46Å; F554-V751 HydrophobicContact CZ-CG1 4.04Å
555K83.2Confident75Confident136 Ų13664.4 Ų64.459%0.59133%0.334SS*.Hα-helixtrans-66-48.6176.1-176.2-178.9169.6-174.20111.5S553 F557 L558 E559S553-K555 PolarHBondContact O-N 2.98Å; K555-F557 VanDerWaalsContact C-N 3.31Å; K555-F557 PolarHBondContact O-N 3.44Å; K555-L558 PolarHBondContact O-N 2.86Å; K555-E559 WeakPolarHBondContact CE-OE1 3.25Å; K555-E559 IonicContact NZ-OE1 3.17Å; K555-E559 PolarHBondContact O-N 3.5Å
556N83.8Confident74.9Confident22 Ų2265.6 Ų65.612%0.11834%0.339CS..Hα-helixtrans-59.1-43.7179.4-68.1-4.5000110.6E551 S553 E559 H560 Y570E551-N556 PolarHBondContact O-ND2 3.09Å; E551-N556 VanDerWaalsContact O-ND2 3.1Å; S553-N556 PolarHBondContact O-N 3.42Å; S553-N556 VanDerWaalsContact OG-CB 3.3Å; S553-N556 WeakPolarHBondContact OG-CB 3.45Å; S553-N556 PolarHBondContact OG-N 2.74Å; S553-N556 PolarHBondContact OG-ND2 3.45Å; S553-N556 PolarHBondContact OG-OD1 3.26Å; N556-E559 PolarHBondContact O-N 3.04Å; N556-H560 WeakPolarHBondContact O-CB 3.38Å; N556-H560 PolarHBondContact O-N 3.31Å; N556-H560 PolarHBondContact O-ND1 2.92Å; N556-Y570 HydrophobicContact CB-CE2 4.28Å
557F88.1Confident75.6Confident0 Ų064.4 Ų64.40%033%0.331CS..Hα-helixtrans-62.7-43.9177.8-174.2-97.3000112.9V530 I533 F534 S553 K555 E559 H560 L561 Y570 L571 M574 L667 F670V530-F557 HydrophobicContact CG1-CD1 3.89Å; V530-F557 HydrophobicContact CG1-CE1 3.99Å; V530-F557 HydrophobicContact CG2-CE1 4.31Å; I533-F557 HydrophobicContact CD1-CZ 4.2Å; I533-F557 HydrophobicContact CG2-CZ 4.4Å; F534-F557 HydrophobicContact CD2-CD1 4.45Å; F534-F557 HydrophobicContact CE2-CB 3.65Å; F534-F557 AromaticContact CE2-CD1 3.6Å; F534-F557 HydrophobicContact CE2-CD1 3.6Å; F534-F557 HydrophobicContact CE2-CD2 4.37Å; F534-F557 HydrophobicContact CE2-CE1 4.26Å; F534-F557 AromaticContact CE2-CG 3.64Å; F534-F557 HydrophobicContact CE2-CG 3.64Å; F534-F557 HydrophobicContact CZ-CB 3.68Å; F534-F557 HydrophobicContact CZ-CD1 4.49Å; F534-F557 HydrophobicContact CZ-CG 4.11Å; S553-F557 PolarHBondContact O-N 3.42Å; K555-F557 VanDerWaalsContact C-N 3.31Å; K555-F557 PolarHBondContact O-N 3.44Å; F557-E559 VanDerWaalsContact C-N 3.3Å; F557-E559 PolarHBondContact O-N 3.4Å; F557-H560 PolarHBondContact O-N 3.33Å; F557-L561 HydrophobicContact CD1-CD1 3.74Å; F557-L561 HydrophobicContact CD1-CG 4.11Å; F557-L561 HydrophobicContact CE1-CD1 3.51Å; F557-L561 HydrophobicContact CE1-CD2 4.25Å; F557-L561 HydrophobicContact CE1-CG 3.95Å; F557-L561 HydrophobicContact CZ-CD1 4.23Å; F557-L561 HydrophobicContact CZ-CD2 4.14Å; F557-L561 HydrophobicContact CZ-CG 4.25Å; F557-L561 WeakPolarHBondContact O-CB 3.42Å; F557-L561 VanDerWaalsContact O-CG 3.3Å; F557-L561 WeakPolarHBondContact O-CG 3.45Å; F557-L561 PolarHBondContact O-N 3.47Å; F557-Y570 HydrophobicContact CB-CE1 4.04Å; F557-Y570 AromaticContact CD2-CE1 3.98Å; F557-Y570 HydrophobicContact CD2-CE1 3.98Å; F557-Y570 HydrophobicContact CG-CE1 4.49Å; F557-L571 HydrophobicContact CE2-CD2 4.39Å; F557-M574 HydrophobicContact CD2-CE 3.82Å; F557-M574 HydrophobicContact CE2-CE 3.73Å; F557-L667 HydrophobicContact CE1-CD2 4.13Å; F557-L667 HydrophobicContact CZ-CD2 4.38Å; F557-F670 HydrophobicContact CE2-CD2 4.48Å; F557-F670 HydrophobicContact CE2-CE2 4.03Å; F557-F670 HydrophobicContact CE2-CZ 4.45Å; F557-F670 HydrophobicContact CZ-CD2 4.2Å; F557-F670 HydrophobicContact CZ-CE2 4.15Å
558L87.5Confident76.9Confident18 Ų1855.9 Ų55.99%0.09429%0.291CS..Hα-helixtrans-60.6-37.5174.9-73.1170.9000112.6I522 V530 F554 K555 R562I522-L558 HydrophobicContact CD1-CD2 3.63Å; V530-L558 HydrophobicContact CB-CD2 4.47Å; V530-L558 HydrophobicContact CG1-CD2 3.98Å; V530-L558 HydrophobicContact CG1-CG 4.49Å; V530-L558 HydrophobicContact CG2-CD2 4.01Å; F554-L558 HydrophobicContact CD1-CD1 3.91Å; F554-L558 HydrophobicContact CE1-CD1 3.59Å; F554-L558 HydrophobicContact CZ-CD1 4.03Å; F554-L558 WeakPolarHBondContact O-CG 3.39Å; F554-L558 PolarHBondContact O-N 3.35Å; K555-L558 PolarHBondContact O-N 2.86Å; L558-R562 WeakPolarHBondContact O-CG 3.37Å
559E84.7Confident78.4Confident80 Ų8054.8 Ų54.837%0.37427%0.273SS..Hα-helixtrans-71.2-46.6176.5-70.8178-175.800112.2K555 N556 F557 L561 R562 Q563K555-E559 WeakPolarHBondContact CE-OE1 3.25Å; K555-E559 IonicContact NZ-OE1 3.17Å; K555-E559 PolarHBondContact O-N 3.5Å; N556-E559 PolarHBondContact O-N 3.04Å; F557-E559 VanDerWaalsContact C-N 3.3Å; F557-E559 PolarHBondContact O-N 3.4Å; E559-L561 VanDerWaalsContact C-N 3.33Å; E559-L561 PolarHBondContact O-N 3.05Å; E559-R562 PolarHBondContact O-N 2.89Å; E559-Q563 WeakPolarHBondContact O-CG 3.36Å; E559-Q563 PolarHBondContact O-N 2.9Å
560H86.6Confident79.5Confident27 Ų2754.5 Ų54.513%0.12527%0.27CS..Hα-helixtrans-70.9-24.9-178.9-70.376000112.9N556 F557 R562 S567 Y570N556-H560 WeakPolarHBondContact O-CB 3.38Å; N556-H560 PolarHBondContact O-N 3.31Å; N556-H560 PolarHBondContact O-ND1 2.92Å; F557-H560 PolarHBondContact O-N 3.33Å; H560-R562 VanDerWaalsContact C-N 3.34Å; H560-R562 PolarHBondContact O-N 2.91Å; H560-S567 WeakPolarHBondContact O-CB 3.33Å; H560-Y570 HydrophobicContact CB-CD1 3.78Å; H560-Y570 HydrophobicContact CB-CE1 4.4Å; H560-Y570 HydrophobicContact CB-CG 4.39Å; H560-Y570 AromaticContact CD2-CG 3.91Å; H560-Y570 AromaticContact CG-CD1 3.81Å; H560-Y570 AromaticContact CG-CG 3.97Å
561L87.7Confident81.1Confident1 Ų149 Ų491%0.00524%0.235CC..Hα-helixtrans-59.6-44.6170.7-83175.5000112.2V530 F557 E559 L571 V663 K666 L667V530-L561 HydrophobicContact CG2-CD1 3.87Å; F557-L561 HydrophobicContact CD1-CD1 3.74Å; F557-L561 HydrophobicContact CD1-CG 4.11Å; F557-L561 HydrophobicContact CE1-CD1 3.51Å; F557-L561 HydrophobicContact CE1-CD2 4.25Å; F557-L561 HydrophobicContact CE1-CG 3.95Å; F557-L561 HydrophobicContact CZ-CD1 4.23Å; F557-L561 HydrophobicContact CZ-CD2 4.14Å; F557-L561 HydrophobicContact CZ-CG 4.25Å; F557-L561 WeakPolarHBondContact O-CB 3.42Å; F557-L561 VanDerWaalsContact O-CG 3.3Å; F557-L561 WeakPolarHBondContact O-CG 3.45Å; F557-L561 PolarHBondContact O-N 3.47Å; E559-L561 VanDerWaalsContact C-N 3.33Å; E559-L561 PolarHBondContact O-N 3.05Å; L561-L571 HydrophobicContact CD2-CD2 4.45Å; L561-V663 HydrophobicContact CB-CG1 4.1Å; L561-V663 HydrophobicContact CD1-CG1 4.22Å; L561-V663 HydrophobicContact CD2-CG1 4.44Å; L561-K666 HydrophobicContact CD2-CB 3.82Å; L561-K666 HydrophobicContact CD2-CD 4.17Å; L561-K666 PolarHBondContact O-NZ 3.02Å; L561-L667 HydrophobicContact CD1-CD2 3.89Å; L561-L667 HydrophobicContact CD1-CG 4.37Å; L561-L667 HydrophobicContact CD2-CD2 4.24Å; L561-L667 HydrophobicContact CD2-CG 4.38Å
562R84.7Confident82.3Confident109 Ų10944.6 Ų44.641%0.41121%0.214SC..Hα-helixtrans-74.3-31.3-176-59.8172.680-156.4-0.8112.9D520 I522 L558 E559 H560D520-R562 VanDerWaalsContact O-CZ 3.25Å; D520-R562 PolarHBondContact O-NE 3.42Å; D520-R562 PolarHBondContact O-NH2 2.85Å; D520-R562 IonicContact OD2-CZ 2.8Å; D520-R562 IonicContact OD2-NH1 2.75Å; D520-R562 IonicContact OD2-NH2 3.79Å; D520-R562 PolarHBondContact OD2-NH2 3.16Å; I522-R562 HydrophobicContact CD1-CG 4.35Å; L558-R562 WeakPolarHBondContact O-CG 3.37Å; E559-R562 PolarHBondContact O-N 2.89Å; H560-R562 VanDerWaalsContact C-N 3.34Å; H560-R562 PolarHBondContact O-N 2.91Å
563Q79.5Confident82.9Confident68 Ų6846.9 Ų46.932%0.31822%0.224SC..  trans-80.3142.7-178.6-65.6174.412.900110.9E559 S567 K666E559-Q563 WeakPolarHBondContact O-CG 3.36Å; E559-Q563 PolarHBondContact O-N 2.9Å; Q563-S567 WeakPolarHBondContact O-CB 3.45Å; Q563-S567 PolarHBondContact O-OG 3.25Å; Q563-K666 PolarHBondContact O-NZ 3.32Å
564E71.9Confident83.5Confident117 Ų11746 Ų4655%0.54722%0.217SC..SBendtrans-86.4-72.1173.9-66.1179173.700109.9I566 S567 L660E564-I566 PolarHBondContact O-N 2.91Å; E564-S567 PolarHBondContact O-N 3.41Å; E564-S567 PolarHBondContact O-OG 2.84Å; E564-L660 HydrophobicContact CB-CD2 4.32Å
565N63.1Low83.9Confident124 Ų12445 Ų4566%0.66321%0.213SC*.SBendtrans-71.4-35.9-165.5-62.8-48.1000115.6S567N565-S567 VanDerWaalsContact C-N 3.32Å
566I69.4Low84.3Confident117 Ų11739.7 Ų39.760%0.619%0.191SC*.THydrogen-bonded Turntrans-77.5-24.7-179.2-59.3168.4000110.6E564 F568E564-I566 PolarHBondContact O-N 2.91Å; I566-F568 PolarHBondContact O-N 2.8Å
567S77.7Confident84.7Confident0 Ų039.5 Ų39.50%019%0.19CC..THydrogen-bonded Turntrans-69.5-15.2-173.177.30000115.3H560 Q563 E564 N565 V569 L571 H659 K666H560-S567 WeakPolarHBondContact O-CB 3.33Å; Q563-S567 WeakPolarHBondContact O-CB 3.45Å; Q563-S567 PolarHBondContact O-OG 3.25Å; E564-S567 PolarHBondContact O-N 3.41Å; E564-S567 PolarHBondContact O-OG 2.84Å; N565-S567 VanDerWaalsContact C-N 3.32Å; S567-V569 PolarHBondContact O-N 3.3Å; S567-L571 VanDerWaalsContact O-CB 3.26Å; S567-L571 WeakPolarHBondContact O-CB 3.43Å; S567-L571 WeakPolarHBondContact O-CG 3.47Å; S567-L571 PolarHBondContact O-N 3.46Å; S567-L571 WeakPolarHBondContact OG-CD1 3.48Å; S567-H659 WeakPolarHBondContact OG-CB 3.25Å; S567-K666 PolarHBondContact OG-NZ 3.17Å
568F86.3Confident84.8Confident4 Ų439.6 Ų39.62%0.01819%0.19CC..Hα-helixtrans-52.5-52.3-173.3167.8-105.7000113.8I566 N572 L605 Y606 H659 V863 H866I566-F568 PolarHBondContact O-N 2.8Å; F568-N572 WeakPolarHBondContact CD2-ND2 3.45Å; F568-N572 WeakPolarHBondContact CE2-ND2 3.34Å; F568-N572 VanDerWaalsContact O-CB 3.24Å; F568-N572 WeakPolarHBondContact O-CB 3.11Å; F568-N572 VanDerWaalsContact O-CG 3.31Å; F568-N572 PolarHBondContact O-N 2.89Å; F568-L605 HydrophobicContact CE1-CB 4.3Å; F568-L605 HydrophobicContact CZ-CB 4.03Å; F568-Y606 HydrophobicContact CE1-CD1 4.24Å; F568-Y606 AromaticContact CE1-CE1 3.76Å; F568-Y606 HydrophobicContact CE1-CE1 3.76Å; F568-Y606 HydrophobicContact CE2-CD1 4.47Å; F568-Y606 AromaticContact CZ-CD1 3.57Å; F568-Y606 HydrophobicContact CZ-CD1 3.57Å; F568-Y606 AromaticContact CZ-CE1 3.58Å; F568-Y606 HydrophobicContact CZ-CE1 3.58Å; F568-Y606 HydrophobicContact CZ-CG 4.23Å; F568-H659 HydrophobicContact CB-CB 4.23Å; F568-H659 AromaticContact CD2-ND1 3.8Å; F568-V863 HydrophobicContact CD1-CG1 4.14Å; F568-H866 AromaticContact CD2-CE1 3.39Å; F568-H866 WeakPolarHBondContact CD2-CE1 3.33Å; F568-H866 AromaticContact CD2-NE2 3.47Å; F568-H866 WeakPolarHBondContact CD2-NE2 3.24Å; F568-H866 AromaticContact CE2-CE1 3.42Å; F568-H866 VanDerWaalsContact CE2-CE1 3.42Å; F568-H866 WeakPolarHBondContact CE2-CE1 3.43Å; F568-H866 AromaticContact CE2-NE2 3.07Å; F568-H866 WeakPolarHBondContact CE2-NE2 3.33Å; F568-H866 AromaticContact CG-CE1 3.87Å; F568-H866 AromaticContact CZ-CE1 3.94Å; F568-H866 AromaticContact CZ-NE2 3.69Å
569V86Confident85.1Confident36 Ų3638.7 Ų38.722%0.21819%0.186CC..Hα-helixtrans-65.3-60.2-176.2-179.60000109.4S567 L571 N572 E573 L605 V863S567-V569 PolarHBondContact O-N 3.3Å; V569-L571 PolarHBondContact O-N 3.29Å; V569-N572 PolarHBondContact O-N 3.1Å; V569-N572 VanDerWaalsContact O-N 3.14Å; V569-E573 HydrophobicContact CG1-CG 4.29Å; V569-E573 WeakPolarHBondContact O-CG 3.37Å; V569-E573 PolarHBondContact O-N 3.03Å; V569-L605 HydrophobicContact CG1-CD1 4.25Å; V569-V863 HydrophobicContact CG2-CG1 4.19Å; V569-V863 HydrophobicContact CG2-CG2 3.87Å
570Y86.9Confident85.4Confident12 Ų1238.8 Ų38.85%0.04719%0.186CC..Hα-helixtrans-58.2-45.1-175-170.5-95000113.5S553 N556 F557 H560 N572 M574S553-Y570 PolarHBondContact O-OH 3.21Å; N556-Y570 HydrophobicContact CB-CE2 4.28Å; F557-Y570 HydrophobicContact CB-CE1 4.04Å; F557-Y570 AromaticContact CD2-CE1 3.98Å; F557-Y570 HydrophobicContact CD2-CE1 3.98Å; F557-Y570 HydrophobicContact CG-CE1 4.49Å; H560-Y570 HydrophobicContact CB-CD1 3.78Å; H560-Y570 HydrophobicContact CB-CE1 4.4Å; H560-Y570 HydrophobicContact CB-CG 4.39Å; H560-Y570 AromaticContact CD2-CG 3.91Å; H560-Y570 AromaticContact CG-CD1 3.81Å; H560-Y570 AromaticContact CG-CG 3.97Å; Y570-N572 PolarHBondContact O-N 3.35Å; Y570-M574 HydrophobicContact CE1-CG 4.39Å; Y570-M574 VanDerWaalsContact O-CG 3.24Å; Y570-M574 WeakPolarHBondContact O-CG 3.41Å; Y570-M574 PolarHBondContact O-N 2.95Å
571L90.1Very high85.6Confident0 Ų037.5 Ų37.50%018%0.18CC..Hα-helixtrans-69.8-32.7179.3-67.3-177.3000112.6F557 L561 S567 V569 M574 L575 F658 K666 F670F557-L571 HydrophobicContact CE2-CD2 4.39Å; L561-L571 HydrophobicContact CD2-CD2 4.45Å; S567-L571 VanDerWaalsContact O-CB 3.26Å; S567-L571 WeakPolarHBondContact O-CB 3.43Å; S567-L571 WeakPolarHBondContact O-CG 3.47Å; S567-L571 PolarHBondContact O-N 3.46Å; S567-L571 WeakPolarHBondContact OG-CD1 3.48Å; V569-L571 PolarHBondContact O-N 3.29Å; L571-M574 WeakPolarHBondContact O-CB 3.38Å; L571-L575 WeakPolarHBondContact O-CG 3.3Å; L571-L575 PolarHBondContact O-N 3.41Å; L571-F658 HydrophobicContact CB-CD1 4.25Å; L571-F658 HydrophobicContact CB-CE1 3.99Å; L571-K666 HydrophobicContact CD1-CD 3.7Å; L571-K666 HydrophobicContact CD1-CG 4.48Å; L571-F670 HydrophobicContact CD2-CE2 4.31Å; L571-F670 HydrophobicContact CD2-CZ 4.45Å
572N91.7Very high85.7Confident1 Ų137.4 Ų37.41%0.00518%0.18CC..Hα-helixtrans-81.8-29.2178.1-69.57.2000112.3F568 V569 Y570 M574 L575 I576 L605 P609F568-N572 WeakPolarHBondContact CD2-ND2 3.45Å; F568-N572 WeakPolarHBondContact CE2-ND2 3.34Å; F568-N572 VanDerWaalsContact O-CB 3.24Å; F568-N572 WeakPolarHBondContact O-CB 3.11Å; F568-N572 VanDerWaalsContact O-CG 3.31Å; F568-N572 PolarHBondContact O-N 2.89Å; V569-N572 PolarHBondContact O-N 3.1Å; V569-N572 VanDerWaalsContact O-N 3.14Å; Y570-N572 PolarHBondContact O-N 3.35Å; N572-M574 VanDerWaalsContact C-N 3.34Å; N572-L575 PolarHBondContact O-N 3.15Å; N572-I576 VanDerWaalsContact O-CG1 3.25Å; N572-I576 WeakPolarHBondContact O-CG1 3.48Å; N572-I576 PolarHBondContact O-N 2.99Å; N572-L605 HydrophobicContact CB-CD2 4.43Å; N572-L605 PolarHBondContact ND2-O 3.11Å; N572-P609 WeakPolarHBondContact ND2-CG 3.25Å
573E89.4Confident86Confident71 Ų7133.6 Ų33.633%0.33217%0.167SC..Hα-helixtrans-60.5-44.2165.9-71.5179.9159.900111L549 V569 L575 I576 I577 L605L549-E573 HydrophobicContact CD2-CB 3.88Å; V569-E573 HydrophobicContact CG1-CG 4.29Å; V569-E573 WeakPolarHBondContact O-CG 3.37Å; V569-E573 PolarHBondContact O-N 3.03Å; E573-L575 PolarHBondContact O-N 3.11Å; E573-I576 PolarHBondContact O-N 3Å; E573-I577 WeakPolarHBondContact O-CD1 3.27Å; E573-I577 PolarHBondContact O-N 3.41Å; E573-L605 HydrophobicContact CB-CD2 4.47Å; E573-L605 HydrophobicContact CG-CD2 3.42Å; E573-L605 VanDerWaalsContact CG-CD2 3.42Å
574M89.9Confident86.3Confident3 Ų335.1 Ų35.12%0.01517%0.173CC..Hα-helixtrans-58-47.7172-70-74.1-75.700111.4I537 L549 L552 F557 Y570 L571 N572 I576 I577 F578 F670I537-M574 HydrophobicContact CD1-CE 3.49Å; I537-M574 VanDerWaalsContact CD1-CE 3.49Å; L549-M574 HydrophobicContact CD1-SD 3.53Å; L549-M574 VanDerWaalsContact CD1-SD 3.53Å; L552-M574 HydrophobicContact CD1-CE 3.98Å; L552-M574 HydrophobicContact CD1-SD 3.7Å; F557-M574 HydrophobicContact CD2-CE 3.82Å; F557-M574 HydrophobicContact CE2-CE 3.73Å; Y570-M574 HydrophobicContact CE1-CG 4.39Å; Y570-M574 VanDerWaalsContact O-CG 3.24Å; Y570-M574 WeakPolarHBondContact O-CG 3.41Å; Y570-M574 PolarHBondContact O-N 2.95Å; L571-M574 WeakPolarHBondContact O-CB 3.38Å; N572-M574 VanDerWaalsContact C-N 3.34Å; M574-I576 VanDerWaalsContact C-N 3.35Å; M574-I576 PolarHBondContact O-N 3.35Å; M574-I577 PolarHBondContact O-N 3.27Å; M574-F578 WeakPolarHBondContact O-CD2 3.38Å; M574-F670 HydrophobicContact CB-CE1 3.78Å; M574-F670 HydrophobicContact CB-CZ 3.82Å
575L93Very high86.9Confident0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-57.5-44.1175.3-74.6179.5000112.4L571 N572 E573 I577 F578 L579 A608 P609 F658 T669 F670 L673L571-L575 WeakPolarHBondContact O-CG 3.3Å; L571-L575 PolarHBondContact O-N 3.41Å; N572-L575 PolarHBondContact O-N 3.15Å; E573-L575 PolarHBondContact O-N 3.11Å; L575-I577 PolarHBondContact O-N 3.36Å; L575-F578 PolarHBondContact O-N 2.81Å; L575-L579 HydrophobicContact CB-CD1 4.26Å; L575-L579 WeakPolarHBondContact O-CB 3.48Å; L575-L579 WeakPolarHBondContact O-CD1 3.43Å; L575-L579 WeakPolarHBondContact O-CG 3.16Å; L575-L579 PolarHBondContact O-N 3.34Å; L575-A608 HydrophobicContact CB-CB 4.2Å; L575-P609 HydrophobicContact CD1-CG 4.26Å; L575-F658 HydrophobicContact CD1-CD1 3.45Å; L575-F658 VanDerWaalsContact CD1-CD1 3.45Å; L575-F658 HydrophobicContact CD1-CE1 3.68Å; L575-F658 HydrophobicContact CD1-CG 3.98Å; L575-F658 HydrophobicContact CD1-CZ 4.4Å; L575-F658 HydrophobicContact CD2-CE1 4.11Å; L575-F658 HydrophobicContact CD2-CZ 4.23Å; L575-F658 HydrophobicContact CG-CD1 4.11Å; L575-F658 HydrophobicContact CG-CE1 3.81Å; L575-F658 HydrophobicContact CG-CZ 4.42Å; L575-T669 HydrophobicContact CD2-CG2 4.34Å; L575-F670 HydrophobicContact CD2-CD1 4.15Å; L575-F670 HydrophobicContact CD2-CE1 3.71Å; L575-F670 HydrophobicContact CD2-CZ 4.28Å; L575-F670 HydrophobicContact CG-CE1 4.08Å; L575-F670 HydrophobicContact CG-CZ 4.38Å; L575-L673 HydrophobicContact CD2-CD1 3.53Å
576I92.5Very high87.7Confident24 Ų2430.4 Ų30.412%0.12315%0.147CC..Hα-helixtrans-54.4-43.1-179.7-73.1165000110.8N572 E573 M574 F578 L579 E580 L603 L605 A608N572-I576 VanDerWaalsContact O-CG1 3.25Å; N572-I576 WeakPolarHBondContact O-CG1 3.48Å; N572-I576 PolarHBondContact O-N 2.99Å; E573-I576 PolarHBondContact O-N 3Å; M574-I576 VanDerWaalsContact C-N 3.35Å; M574-I576 PolarHBondContact O-N 3.35Å; I576-F578 PolarHBondContact O-N 3.29Å; I576-L579 CarbonylContact O-C 3.4Å; I576-L579 PolarHBondContact O-N 2.87Å; I576-L579 VanDerWaalsContact O-N 3.09Å; I576-E580 HydrophobicContact CG2-CG 3.93Å; I576-E580 WeakPolarHBondContact O-CB 3.3Å; I576-E580 WeakPolarHBondContact O-CG 3.5Å; I576-E580 PolarHBondContact O-N 3.38Å; I576-L603 HydrophobicContact CG1-CD1 4.31Å; I576-L603 HydrophobicContact CG1-CG 4.32Å; I576-L603 HydrophobicContact CG2-CD2 4.26Å; I576-L603 HydrophobicContact CG2-CG 4.46Å; I576-L605 HydrophobicContact CD1-CD2 3.92Å; I576-A608 HydrophobicContact CG1-CB 3.79Å
577I91.2Very high88.3Confident17 Ų1731.7 Ų31.79%0.08715%0.148CC..Hα-helixtrans-66.2-39.9-176.2-68.2155.5000112.4L544 L549 E573 M574 L575 A581L544-I577 HydrophobicContact CB-CG2 3.59Å; L544-I577 HydrophobicContact CD2-CG2 3.96Å; L544-I577 HydrophobicContact CG-CG2 4.29Å; L549-I577 HydrophobicContact CD1-CD1 3.3Å; L549-I577 HydrophobicContact CD2-CD1 3.88Å; L549-I577 HydrophobicContact CG-CD1 3.38Å; E573-I577 WeakPolarHBondContact O-CD1 3.27Å; E573-I577 PolarHBondContact O-N 3.41Å; M574-I577 PolarHBondContact O-N 3.27Å; L575-I577 PolarHBondContact O-N 3.36Å; I577-A581 PolarHBondContact O-N 2.63Å
578F92.2Very high88.5Confident2 Ų232.4 Ų32.41%0.00915%0.152CC..Hα-helixtrans-64.7-42.1171-68.5-79.7000111.1I533 F536 I537 L544 M574 L575 I576 A581 L582 F670 L673 M674 L677I533-F578 HydrophobicContact CG2-CZ 4.29Å; F536-F578 AromaticContact CD1-CE1 3.75Å; F536-F578 HydrophobicContact CD1-CE1 3.75Å; F536-F578 HydrophobicContact CE1-CD1 4.21Å; F536-F578 AromaticContact CE1-CE1 3.73Å; F536-F578 HydrophobicContact CE1-CE1 3.73Å; I537-F578 HydrophobicContact CD1-CZ 4.15Å; I537-F578 HydrophobicContact CG1-CZ 3.97Å; L544-F578 HydrophobicContact CD2-CD1 4.21Å; M574-F578 WeakPolarHBondContact O-CD2 3.38Å; L575-F578 PolarHBondContact O-N 2.81Å; I576-F578 PolarHBondContact O-N 3.29Å; F578-A581 PolarHBondContact O-N 3.31Å; F578-L582 VanDerWaalsContact O-CG 3.27Å; F578-L582 WeakPolarHBondContact O-CG 3.44Å; F578-L582 PolarHBondContact O-N 3.22Å; F578-F670 AromaticContact CD2-CD1 3.79Å; F578-F670 HydrophobicContact CD2-CD1 3.79Å; F578-F670 HydrophobicContact CD2-CE1 4.1Å; F578-F670 AromaticContact CE2-CD1 3.59Å; F578-F670 HydrophobicContact CE2-CD1 3.59Å; F578-F670 HydrophobicContact CE2-CE1 4.01Å; F578-F670 HydrophobicContact CZ-CD1 4.44Å; F578-L673 HydrophobicContact CB-CB 4.33Å; F578-L673 HydrophobicContact CB-CD1 4.43Å; F578-M674 HydrophobicContact CD1-CG 4.18Å; F578-M674 HydrophobicContact CE1-CG 3.53Å; F578-M674 HydrophobicContact CE1-SD 4.33Å; F578-M674 HydrophobicContact CZ-CG 4.26Å; F578-L677 HydrophobicContact CB-CD1 4.47Å; F578-L677 HydrophobicContact CD1-CD1 3.71Å
579L93.4Very high88.1Confident0 Ų035.7 Ų35.70%017%0.168CC..Hα-helixtrans-69.9-38.2-178-66.4167.8000113.2L575 I576 L582 L583 L603 A608 F611 A612 L615 L673L575-L579 HydrophobicContact CB-CD1 4.26Å; L575-L579 WeakPolarHBondContact O-CB 3.48Å; L575-L579 WeakPolarHBondContact O-CD1 3.43Å; L575-L579 WeakPolarHBondContact O-CG 3.16Å; L575-L579 PolarHBondContact O-N 3.34Å; I576-L579 CarbonylContact O-C 3.4Å; I576-L579 PolarHBondContact O-N 2.87Å; I576-L579 VanDerWaalsContact O-N 3.09Å; L579-L582 HydrophobicContact CD2-CD1 4.23Å; L579-L582 WeakPolarHBondContact O-CB 3.3Å; L579-L582 PolarHBondContact O-N 3.47Å; L579-L583 WeakPolarHBondContact O-CB 3.44Å; L579-L583 VanDerWaalsContact O-CG 3.24Å; L579-L583 WeakPolarHBondContact O-CG 3.39Å; L579-L583 PolarHBondContact O-N 2.86Å; L579-L603 HydrophobicContact CB-CD1 4.37Å; L579-L603 HydrophobicContact CB-CD2 3.84Å; L579-L603 HydrophobicContact CD1-CD1 3.96Å; L579-A608 HydrophobicContact CD1-CB 3.84Å; L579-A608 VanDerWaalsContact CD1-O 3.23Å; L579-A608 WeakPolarHBondContact CD1-O 3.37Å; L579-F611 HydrophobicContact CD1-CB 3.93Å; L579-F611 HydrophobicContact CD2-CB 4.2Å; L579-A612 HydrophobicContact CD1-CB 4.46Å; L579-A612 HydrophobicContact CD2-CB 4.16Å; L579-L615 HydrophobicContact CD2-CD1 3.72Å; L579-L673 HydrophobicContact CD2-CD2 4.29Å
580E91.2Very high87.9Confident81 Ų8143.1 Ų43.138%0.37919%0.192SC..Hα-helixtrans-65.3-39174-75.1-176162.500111.5I576 K584 L603I576-E580 HydrophobicContact CG2-CG 3.93Å; I576-E580 WeakPolarHBondContact O-CB 3.3Å; I576-E580 WeakPolarHBondContact O-CG 3.5Å; I576-E580 PolarHBondContact O-N 3.38Å; E580-K584 WeakPolarHBondContact O-CG 3.24Å; E580-K584 PolarHBondContact O-N 3.26Å; E580-L603 HydrophobicContact CG-CD2 3.76Å
581A89.6Confident87.9Confident0 Ų042.7 Ų42.70%019%0.191CC..Hα-helixtrans-66.2-38.2172.500000112.2L543 L544 I577 F578 K584 L677L543-A581 HydrophobicContact CD1-CB 4.44Å; L543-A581 HydrophobicContact CG-CB 4.19Å; L544-A581 HydrophobicContact CD2-CB 3.81Å; I577-A581 PolarHBondContact O-N 2.63Å; F578-A581 PolarHBondContact O-N 3.31Å; A581-K584 PolarHBondContact O-N 2.81Å; A581-L677 HydrophobicContact CB-CD1 4.33Å; A581-L677 HydrophobicContact CB-CD2 3.69Å
582L91.1Very high87.9Confident0 Ų046.2 Ų46.20%021%0.212CC..Hα-helixtrans-65.3-44.4174.5-74.4164.3000112F578 L579 K584 D585 I588 L615 L673 L676 L677 T680F578-L582 VanDerWaalsContact O-CG 3.27Å; F578-L582 WeakPolarHBondContact O-CG 3.44Å; F578-L582 PolarHBondContact O-N 3.22Å; L579-L582 HydrophobicContact CD2-CD1 4.23Å; L579-L582 WeakPolarHBondContact O-CB 3.3Å; L579-L582 PolarHBondContact O-N 3.47Å; L582-K584 PolarHBondContact O-N 2.92Å; L582-K584 VanDerWaalsContact O-N 3.16Å; L582-D585 WeakPolarHBondContact O-CB 3.43Å; L582-D585 PolarHBondContact O-N 2.9Å; L582-I588 HydrophobicContact CB-CD1 3.97Å; L582-I588 HydrophobicContact CD2-CD1 3.51Å; L582-I588 HydrophobicContact CG-CD1 4.36Å; L582-I588 WeakPolarHBondContact O-CB 3.34Å; L582-I588 WeakPolarHBondContact O-CG2 3.37Å; L582-L615 HydrophobicContact CB-CD1 4.05Å; L582-L615 HydrophobicContact CD1-CD1 3.91Å; L582-L673 HydrophobicContact CD1-CD2 3.82Å; L582-L676 HydrophobicContact CD1-CD2 4.21Å; L582-L676 HydrophobicContact CD2-CB 4.15Å; L582-L676 HydrophobicContact CD2-CD2 3.93Å; L582-L676 HydrophobicContact CD2-CG 3.68Å; L582-L677 HydrophobicContact CB-CD2 4.39Å; L582-L677 HydrophobicContact CD1-CG 4.48Å; L582-L677 HydrophobicContact CD2-CB 4.33Å; L582-L677 HydrophobicContact CD2-CD2 3.67Å; L582-L677 HydrophobicContact CD2-CG 3.71Å; L582-L677 HydrophobicContact CG-CD2 3.63Å; L582-L677 HydrophobicContact CG-CG 3.75Å; L582-T680 HydrophobicContact CD2-CG2 4.02Å
583L89.8Confident87.8Confident29 Ų2946.8 Ų46.815%0.15222%0.215CC..Hα-helixtrans-67.7-10.7-179.5-70.9169.3000113.7L579 D585 I588 M589 L598 V599 L603 F611L579-L583 WeakPolarHBondContact O-CB 3.44Å; L579-L583 VanDerWaalsContact O-CG 3.24Å; L579-L583 WeakPolarHBondContact O-CG 3.39Å; L579-L583 PolarHBondContact O-N 2.86Å; L583-D585 VanDerWaalsContact C-N 3.32Å; L583-I588 HydrophobicContact CD2-CG2 4.31Å; L583-M589 WeakPolarHBondContact O-CG 3.39Å; L583-L598 HydrophobicContact CD2-CB 4.26Å; L583-V599 HydrophobicContact CD2-CG2 4.38Å; L583-L603 HydrophobicContact CD1-CD2 3.87Å; L583-F611 HydrophobicContact CD1-CD1 4.14Å; L583-F611 HydrophobicContact CD1-CE1 3.95Å; L583-F611 HydrophobicContact CD2-CE1 4.46Å
584K85.6Confident87.8Confident100 Ų10044.7 Ų44.744%0.43521%0.206SC..THydrogen-bonded Turntrans-73.7-19.4168.7-67.3164.7-162.3176.80112.8L543 E580 A581 L582 T682L543-K584 HydrophobicContact CD1-CD 4.38Å; L543-K584 PolarHBondContact O-NZ 3.42Å; E580-K584 WeakPolarHBondContact O-CG 3.24Å; E580-K584 PolarHBondContact O-N 3.26Å; A581-K584 PolarHBondContact O-N 2.81Å; L582-K584 PolarHBondContact O-N 2.92Å; L582-K584 VanDerWaalsContact O-N 3.16Å; K584-T682 HydrophobicContact CB-CG2 3.93Å
585D85.8Confident87.6Confident8 Ų848.5 Ų48.54%0.04323%0.226CC..SBendtrans-78.9132.6-177.6-176-85.1000113.2L582 L583 K587 I588 M589 T680 K681 T682L582-D585 WeakPolarHBondContact O-CB 3.43Å; L582-D585 PolarHBondContact O-N 2.9Å; L583-D585 VanDerWaalsContact C-N 3.32Å; D585-K587 VanDerWaalsContact C-N 3.29Å; D585-K587 PolarHBondContact O-N 2.94Å; D585-K587 WeakPolarHBondContact OD1-CA 3.47Å; D585-K587 WeakPolarHBondContact OD1-CB 3.13Å; D585-K587 PolarHBondContact OD1-N 2.87Å; D585-I588 HydrophobicContact CB-CB 4.17Å; D585-I588 HydrophobicContact CB-CD1 4.23Å; D585-I588 HydrophobicContact CB-CG1 4.18Å; D585-I588 PolarHBondContact O-N 3.04Å; D585-I588 VanDerWaalsContact O-N 3.14Å; D585-I588 PolarHBondContact OD1-N 2.85Å; D585-M589 WeakPolarHBondContact O-CG 3.13Å; D585-M589 PolarHBondContact O-N 2.94Å; D585-T680 HydrophobicContact CB-CG2 3.84Å; D585-T680 WeakPolarHBondContact OD2-CB 3.45Å; D585-K681 PolarHBondContact OD2-N 3.38Å; D585-T682 WeakPolarHBondContact CA-OG1 3.48Å; D585-T682 VanDerWaalsContact CB-OG1 3.3Å; D585-T682 WeakPolarHBondContact CB-OG1 3.19Å; D585-T682 PolarHBondContact N-OG1 3.39Å
586Q79.2Confident87.4Confident133 Ų13348.9 Ų48.962%0.62123%0.228SC*.THydrogen-bonded Turntrans-63.4-25.2-177-68.6-172.9-2.500115.5M589Q586-M589 HydrophobicContact CB-CE 4.34Å; Q586-M589 HydrophobicContact CG-CE 3.92Å
587K81.3Confident87.3Confident145 Ų14550.9 Ų50.963%0.6324%0.239SC*.THydrogen-bonded Turntrans-76.9-43.8174.5-170.5-175.5176.3-172.30109.4D585 R590D585-K587 VanDerWaalsContact C-N 3.29Å; D585-K587 PolarHBondContact O-N 2.94Å; D585-K587 WeakPolarHBondContact OD1-CA 3.47Å; D585-K587 WeakPolarHBondContact OD1-CB 3.13Å; D585-K587 PolarHBondContact OD1-N 2.87Å; K587-R590 PolarHBondContact O-N 3.17Å
588I81.8Confident87.2Confident14 Ų1450 Ų507%0.07224%0.235CC..G310 helixtrans-69.2-36.2179.6-63.6-176.6000112L582 L583 D585 R590 T591 L615 T680L582-I588 HydrophobicContact CB-CD1 3.97Å; L582-I588 HydrophobicContact CD2-CD1 3.51Å; L582-I588 HydrophobicContact CG-CD1 4.36Å; L582-I588 WeakPolarHBondContact O-CB 3.34Å; L582-I588 WeakPolarHBondContact O-CG2 3.37Å; L583-I588 HydrophobicContact CD2-CG2 4.31Å; D585-I588 HydrophobicContact CB-CB 4.17Å; D585-I588 HydrophobicContact CB-CD1 4.23Å; D585-I588 HydrophobicContact CB-CG1 4.18Å; D585-I588 PolarHBondContact O-N 3.04Å; D585-I588 VanDerWaalsContact O-N 3.14Å; D585-I588 PolarHBondContact OD1-N 2.85Å; I588-R590 PolarHBondContact O-N 3.25Å; I588-T591 VanDerWaalsContact O-CB 3.27Å; I588-T591 WeakPolarHBondContact O-CB 3.41Å; I588-T591 PolarHBondContact O-N 3.07Å; I588-T591 PolarHBondContact O-OG1 2.96Å; I588-L615 HydrophobicContact CG2-CD1 4.31Å; I588-L615 HydrophobicContact CG2-CD2 3.62Å; I588-T680 HydrophobicContact CD1-CG2 3.73Å
589M78.8Confident87.1Confident74 Ų7453.8 Ų53.837%0.36526%0.258SS..G310 helixtrans-57.7-19.4174.4-77.2-161.9-73.400114.2L583 D585 Q586 V599L583-M589 WeakPolarHBondContact O-CG 3.39Å; D585-M589 WeakPolarHBondContact O-CG 3.13Å; D585-M589 PolarHBondContact O-N 2.94Å; Q586-M589 HydrophobicContact CB-CE 4.34Å; Q586-M589 HydrophobicContact CG-CE 3.92Å; M589-V599 HydrophobicContact CB-CG2 3.94Å; M589-V599 HydrophobicContact CG-CG2 3.86Å
590R82.4Confident86.8Confident191 Ų19158.7 Ų58.772%0.72128%0.281SS*.G310 helixtrans-90.2-1.9178.2-61.8177.8-174.5-167.5-0113.5K587 I588 V592K587-R590 PolarHBondContact O-N 3.17Å; I588-R590 PolarHBondContact O-N 3.25Å; R590-V592 PolarHBondContact O-N 3.29Å
591T87.2Confident86.8Confident4 Ų455.6 Ų55.63%0.02527%0.266CS..  trans-67.8128.1179.2-57.80000110.2I588 L598 I614 L615 Q618I588-T591 VanDerWaalsContact O-CB 3.27Å; I588-T591 WeakPolarHBondContact O-CB 3.41Å; I588-T591 PolarHBondContact O-N 3.07Å; I588-T591 PolarHBondContact O-OG1 2.96Å; T591-L598 HydrophobicContact CG2-CD1 3.64Å; T591-L598 HydrophobicContact CG2-CG 4.18Å; T591-L598 PolarHBondContact O-N 3.47Å; T591-I614 HydrophobicContact CG2-CG2 3.95Å; T591-L615 HydrophobicContact CG2-CD2 4.32Å; T591-Q618 PolarHBondContact OG1-NE2 2.84Å; T591-Q618 PolarHBondContact OG1-OE1 3.06Å
592V88.6Confident86.9Confident73 Ų7359.8 Ų59.844%0.44229%0.286SS..EExtended strand (participates in β ladder)trans-113.9144.3179.2-68.30000110.9R590 T596 L597R590-V592 PolarHBondContact O-N 3.29Å; V592-T596 CarbonylContact C-O 3.36Å; V592-T596 VanDerWaalsContact CA-O 3.25Å; V592-T596 WeakPolarHBondContact CA-O 3.43Å; V592-L597 HydrophobicContact CG1-CD2 3.69Å; V592-L597 HydrophobicContact CG1-CG 4.17Å
593E89.8Confident87Confident14 Ų1461.7 Ų61.77%0.06530%0.296CS..EExtended strand (participates in β ladder)trans-124.7122.4165.1-179.963.6-167.400107.6D595 T596 L598 I614 R617 R974 L977 I981E593-D595 PolarHBondContact O-N 3.15Å; E593-T596 PolarHBondContact N-O 3.23Å; E593-T596 WeakPolarHBondContact O-CB 3.18Å; E593-T596 PolarHBondContact O-N 3.14Å; E593-L598 HydrophobicContact CB-CD2 4.43Å; E593-I614 HydrophobicContact CB-CD1 3.96Å; E593-I614 HydrophobicContact CG-CD1 3.78Å; E593-R617 IonicContact OE2-CZ 2.69Å; E593-R617 IonicContact OE2-NH1 2.88Å; E593-R617 IonicContact OE2-NH2 2.74Å; E593-R617 PolarHBondContact OE2-NH2 3.18Å; E593-R974 IonicContact OE1-CZ 3.17Å; E593-R974 IonicContact OE1-NH1 2.7Å; E593-R974 PolarHBondContact OE1-NH1 2.98Å; E593-R974 IonicContact OE1-NH2 2.7Å; E593-R974 PolarHBondContact OE1-NH2 3.34Å; E593-L977 HydrophobicContact CG-CD2 3.96Å; E593-I981 HydrophobicContact CB-CD1 4.47Å; E593-I981 HydrophobicContact CG-CD1 4.01Å
594L89.7Confident87.1Confident27 Ų2761.9 Ų61.914%0.14130%0.297CS..THydrogen-bonded Turntrans47.658.7-175.5-56.8176.2000112.7T596 M927 T961 W962 A965 L978 I981L594-T596 PolarHBondContact O-N 3.3Å; L594-T596 PolarHBondContact O-OG1 2.84Å; L594-T596 VanDerWaalsContact O-OG1 3.13Å; L594-M927 HydrophobicContact CB-CE 4.23Å; L594-M927 WeakPolarHBondContact O-CB 3.26Å; L594-T961 HydrophobicContact CD2-CG2 3.95Å; L594-W962 HydrophobicContact CD1-CB 4.3Å; L594-W962 HydrophobicContact CD1-CG 4.44Å; L594-A965 HydrophobicContact CD1-CB 4.12Å; L594-L978 HydrophobicContact CD1-CD2 3.52Å; L594-I981 HydrophobicContact CB-CD1 4.47Å; L594-I981 HydrophobicContact CD1-CD1 4.31Å
595D86.3Confident87.4Confident83 Ų8359 Ų5944%0.44429%0.286SS..THydrogen-bonded Turntrans52.517.8-177.5-690.8000115.3E593 M927 K958E593-D595 PolarHBondContact O-N 3.15Å; D595-M927 HydrophobicContact CB-CB 4.16Å; D595-M927 HydrophobicContact CB-CE 3.91Å; D595-M927 HydrophobicContact CB-CG 4.47Å; D595-M927 HydrophobicContact CB-SD 3.84Å; D595-K958 IonicContact OD2-NZ 3.93Å; D595-K958 PolarHBondContact OD2-NZ 2.89Å
596T88.4Confident87.8Confident7 Ų759.8 Ų59.84%0.04329%0.289CS..EExtended strand (participates in β ladder)trans-116.4127.3178.8-49.50000109.3V592 E593 L594 E600 L601 A984V592-T596 CarbonylContact C-O 3.36Å; V592-T596 VanDerWaalsContact CA-O 3.25Å; V592-T596 WeakPolarHBondContact CA-O 3.43Å; E593-T596 PolarHBondContact N-O 3.23Å; E593-T596 WeakPolarHBondContact O-CB 3.18Å; E593-T596 PolarHBondContact O-N 3.14Å; L594-T596 PolarHBondContact O-N 3.3Å; L594-T596 PolarHBondContact O-OG1 2.84Å; L594-T596 VanDerWaalsContact O-OG1 3.13Å; T596-E600 HydrophobicContact CG2-CB 4.42Å; T596-L601 HydrophobicContact CG2-CD2 3.8Å; T596-L601 HydrophobicContact CG2-CG 4.23Å; T596-A984 HydrophobicContact CG2-CB 4.03Å
597L89.4Confident88.6Confident66 Ų6653.4 Ų53.435%0.34626%0.259SS..EExtended strand (participates in β ladder)trans-64.6135.6178-70.3164.2000110V592 V599 E600V592-L597 HydrophobicContact CG1-CD2 3.69Å; V592-L597 HydrophobicContact CG1-CG 4.17Å; L597-V599 PolarHBondContact O-N 2.87Å; L597-V599 VanDerWaalsContact O-N 3.15Å; L597-E600 HydrophobicContact CB-CG 4.29Å; L597-E600 WeakPolarHBondContact O-CB 3.49Å; L597-E600 PolarHBondContact O-N 3.26Å
598L90.5Very high89.2Confident0 Ų046.5 Ų46.50%023%0.229CC..G310 helixtrans-56.5-32.2176.3-75.7-177.3000112.5L583 T591 E593 E600 L601 F611 I614 L615L583-L598 HydrophobicContact CD2-CB 4.26Å; T591-L598 HydrophobicContact CG2-CD1 3.64Å; T591-L598 HydrophobicContact CG2-CG 4.18Å; T591-L598 PolarHBondContact O-N 3.47Å; E593-L598 HydrophobicContact CB-CD2 4.43Å; L598-E600 VanDerWaalsContact C-N 3.25Å; L598-E600 PolarHBondContact O-N 2.69Å; L598-L601 HydrophobicContact CD2-CD1 4.28Å; L598-L601 WeakPolarHBondContact O-CB 3.44Å; L598-L601 PolarHBondContact O-N 2.81Å; L598-L601 VanDerWaalsContact O-N 3.1Å; L598-F611 HydrophobicContact CB-CE1 4.08Å; L598-F611 HydrophobicContact CD1-CD1 4.45Å; L598-F611 HydrophobicContact CD2-CD1 4.29Å; L598-F611 HydrophobicContact CD2-CE1 4.22Å; L598-I614 HydrophobicContact CD1-CG2 3.92Å; L598-I614 HydrophobicContact CD2-CD1 4.02Å; L598-I614 HydrophobicContact CD2-CG2 4.26Å; L598-I614 HydrophobicContact CG-CG2 4.44Å; L598-L615 HydrophobicContact CD1-CD2 3.71Å; L598-L615 HydrophobicContact CD1-CG 4.31Å
599V88.6Confident89.9Confident80 Ų8046 Ų4649%0.48523%0.227SC..G310 helixtrans-70.8-16.7177.9-167.60000112.8L583 M589 L597 L601L583-V599 HydrophobicContact CD2-CG2 4.38Å; M589-V599 HydrophobicContact CB-CG2 3.94Å; M589-V599 HydrophobicContact CG-CG2 3.86Å; L597-V599 PolarHBondContact O-N 2.87Å; L597-V599 VanDerWaalsContact O-N 3.15Å; V599-L601 VanDerWaalsContact C-N 3.32Å
600E87.5Confident90.7Very high104 Ų10442.5 Ų42.549%0.48621%0.209SC..G310 helixtrans-84-4.1170.7-73.6-170-149.400113T596 L597 L598 K925T596-E600 HydrophobicContact CG2-CB 4.42Å; L597-E600 HydrophobicContact CB-CG 4.29Å; L597-E600 WeakPolarHBondContact O-CB 3.49Å; L597-E600 PolarHBondContact O-N 3.26Å; L598-E600 VanDerWaalsContact C-N 3.25Å; L598-E600 PolarHBondContact O-N 2.69Å; E600-K925 IonicContact OE2-NZ 3.18Å; E600-K925 PolarHBondContact OE2-NZ 3.3Å; E600-K925 VanDerWaalsContact OE2-NZ 3.12Å
601L92.1Very high91.3Very high15 Ų1533.4 Ų33.48%0.07918%0.175CC..SBendtrans-106.7149.6-175.5-57178.1000111.8T596 L598 V599 L603 F611 L977 I981 A984T596-L601 HydrophobicContact CG2-CD2 3.8Å; T596-L601 HydrophobicContact CG2-CG 4.23Å; L598-L601 HydrophobicContact CD2-CD1 4.28Å; L598-L601 WeakPolarHBondContact O-CB 3.44Å; L598-L601 PolarHBondContact O-N 2.81Å; L598-L601 VanDerWaalsContact O-N 3.1Å; V599-L601 VanDerWaalsContact C-N 3.32Å; L601-L603 PolarHBondContact O-N 3.15Å; L601-F611 HydrophobicContact CB-CE2 4.36Å; L601-F611 HydrophobicContact CB-CZ 3.89Å; L601-L977 HydrophobicContact CD1-CD1 3.83Å; L601-L977 HydrophobicContact CD1-CD2 4.42Å; L601-L977 HydrophobicContact CD1-CG 4.06Å; L601-I981 HydrophobicContact CD1-CD1 4.31Å; L601-I981 HydrophobicContact CD1-CG1 3.76Å; L601-I981 HydrophobicContact CD2-CB 4.49Å; L601-I981 HydrophobicContact CD2-CG1 3.8Å; L601-I981 HydrophobicContact CG-CG1 4.46Å; L601-A984 HydrophobicContact CD2-CB 4.01Å
602E91.7Very high91.7Very high88 Ų8833.2 Ų33.241%0.41117%0.174SC..  trans-75.5112.2179-67.1175.7-150.500110.6T607 Y980 R983E602-T607 PolarHBondContact O-OG1 2.84Å; E602-Y980 HydrophobicContact CB-CD1 4.07Å; E602-Y980 HydrophobicContact CB-CE1 3.83Å; E602-Y980 HydrophobicContact CB-CE2 4.34Å; E602-Y980 HydrophobicContact CB-CG 4.43Å; E602-Y980 HydrophobicContact CG-CD1 4.12Å; E602-Y980 HydrophobicContact CG-CE1 3.89Å; E602-Y980 WeakPolarHBondContact OE2-CE1 3.44Å; E602-Y980 VanDerWaalsContact OE2-CZ 3.3Å; E602-Y980 PolarHBondContact OE2-OH 3.05Å; E602-R983 IonicContact OE1-NE 3.34Å
603L93.3Very high92.1Very high40 Ų4031.4 Ų31.421%0.20916%0.159CC..  trans-80122.4166.4177.461000109.2I576 L579 E580 L583 L601 T607 A608 F611I576-L603 HydrophobicContact CG1-CD1 4.31Å; I576-L603 HydrophobicContact CG1-CG 4.32Å; I576-L603 HydrophobicContact CG2-CD2 4.26Å; I576-L603 HydrophobicContact CG2-CG 4.46Å; L579-L603 HydrophobicContact CB-CD1 4.37Å; L579-L603 HydrophobicContact CB-CD2 3.84Å; L579-L603 HydrophobicContact CD1-CD1 3.96Å; E580-L603 HydrophobicContact CG-CD2 3.76Å; L583-L603 HydrophobicContact CD1-CD2 3.87Å; L601-L603 PolarHBondContact O-N 3.15Å; L603-T607 WeakPolarHBondContact CA-OG1 3.34Å; L603-A608 HydrophobicContact CD1-CB 3.98Å; L603-F611 HydrophobicContact CB-CE1 4.31Å; L603-F611 HydrophobicContact CB-CE2 4.45Å; L603-F611 HydrophobicContact CB-CZ 4.14Å; L603-F611 HydrophobicContact CD1-CB 4.22Å; L603-F611 HydrophobicContact CD1-CD1 4.23Å; L603-F611 HydrophobicContact CD1-CD2 4.06Å; L603-F611 HydrophobicContact CD1-CE2 4.42Å; L603-F611 HydrophobicContact CD1-CG 3.94Å
604N92.1Very high92.2Very high34 Ų3430.9 Ų30.918%0.18216%0.157CC..SBendtrans-157.6-179.6177.662.553.3000110.7Y606 T607 A608 Y980N604-Y606 PolarHBondContact O-N 2.97Å; N604-Y606 WeakPolarHBondContact OD1-CB 3.38Å; N604-Y606 PolarHBondContact OD1-N 3.4Å; N604-T607 PolarHBondContact N-OG1 3.04Å; N604-T607 PolarHBondContact O-N 3.36Å; N604-T607 VanDerWaalsContact O-N 3.07Å; N604-T607 PolarHBondContact O-OG1 3.29Å; N604-T607 PolarHBondContact OD1-N 2.79Å; N604-A608 WeakPolarHBondContact O-CB 3.28Å; N604-A608 PolarHBondContact O-N 3.11Å; N604-Y980 PolarHBondContact ND2-OH 3.08Å; N604-Y980 VanDerWaalsContact ND2-OH 3.09Å
605L91.6Very high92.4Very high38 Ų3829.7 Ų29.720%0.19915%0.151CC..THydrogen-bonded Turntrans-50.9-32.3-177.5-59.7177.3000113.7F568 V569 N572 E573 I576F568-L605 HydrophobicContact CE1-CB 4.3Å; F568-L605 HydrophobicContact CZ-CB 4.03Å; V569-L605 HydrophobicContact CG1-CD1 4.25Å; N572-L605 HydrophobicContact CB-CD2 4.43Å; N572-L605 PolarHBondContact ND2-O 3.11Å; E573-L605 HydrophobicContact CB-CD2 4.47Å; E573-L605 HydrophobicContact CG-CD2 3.42Å; E573-L605 VanDerWaalsContact CG-CD2 3.42Å; I576-L605 HydrophobicContact CD1-CD2 3.92Å
606Y93.5Very high92.7Very high25 Ų2525.8 Ų25.810%0.09813%0.129CC..THydrogen-bonded Turntrans-91.3-27.4-175.8-53-86.3000112.2F568 N604 M869 S973 F976F568-Y606 HydrophobicContact CE1-CD1 4.24Å; F568-Y606 AromaticContact CE1-CE1 3.76Å; F568-Y606 HydrophobicContact CE1-CE1 3.76Å; F568-Y606 HydrophobicContact CE2-CD1 4.47Å; F568-Y606 AromaticContact CZ-CD1 3.57Å; F568-Y606 HydrophobicContact CZ-CD1 3.57Å; F568-Y606 AromaticContact CZ-CE1 3.58Å; F568-Y606 HydrophobicContact CZ-CE1 3.58Å; F568-Y606 HydrophobicContact CZ-CG 4.23Å; N604-Y606 PolarHBondContact O-N 2.97Å; N604-Y606 WeakPolarHBondContact OD1-CB 3.38Å; N604-Y606 PolarHBondContact OD1-N 3.4Å; Y606-M869 HydrophobicContact CD2-CG 4.09Å; Y606-M869 HydrophobicContact CE1-CB 3.98Å; Y606-M869 HydrophobicContact CE1-CG 4.09Å; Y606-M869 HydrophobicContact CE2-CB 4.34Å; Y606-M869 HydrophobicContact CE2-CG 3.6Å; Y606-S973 WeakPolarHBondContact O-CA 3.46Å; Y606-S973 VanDerWaalsContact O-CB 3.31Å; Y606-S973 WeakPolarHBondContact O-CB 3.37Å; Y606-S973 PolarHBondContact O-OG 3.16Å; Y606-F976 HydrophobicContact CD1-CD2 4.49Å; Y606-F976 AromaticContact CD1-CE2 3.77Å; Y606-F976 HydrophobicContact CD1-CE2 3.77Å; Y606-F976 AromaticContact CD1-CZ 3.94Å; Y606-F976 HydrophobicContact CD1-CZ 3.94Å; Y606-F976 HydrophobicContact CG-CD2 4.32Å; Y606-F976 HydrophobicContact CG-CE1 4.37Å; Y606-F976 AromaticContact CG-CE2 3.9Å; Y606-F976 HydrophobicContact CG-CE2 3.9Å; Y606-F976 AromaticContact CG-CZ 3.91Å; Y606-F976 HydrophobicContact CG-CZ 3.91Å
607T95.3Very high92.7Very high0 Ų028.7 Ų28.70%014%0.14CC..THydrogen-bonded Turntrans-93.4-21.1179.2550000113.8E602 L603 N604 E610 F611 F976 Y980E602-T607 PolarHBondContact O-OG1 2.84Å; L603-T607 WeakPolarHBondContact CA-OG1 3.34Å; N604-T607 PolarHBondContact N-OG1 3.04Å; N604-T607 PolarHBondContact O-N 3.36Å; N604-T607 VanDerWaalsContact O-N 3.07Å; N604-T607 PolarHBondContact O-OG1 3.29Å; N604-T607 PolarHBondContact OD1-N 2.79Å; T607-E610 PolarHBondContact O-N 2.89Å; T607-F611 WeakPolarHBondContact O-CD2 3.49Å; T607-F611 PolarHBondContact O-N 3.06Å; T607-F976 HydrophobicContact CG2-CB 3.96Å; T607-Y980 HydrophobicContact CG2-CD2 3.59Å; T607-Y980 HydrophobicContact CG2-CE2 3.62Å
608A95Very high92.4Very high0 Ų028.8 Ų28.80%014%0.139CC..Hα-helixtrans-52.3-44.8-174.100000115.2L575 I576 L579 L603 N604 E610 F611 A612L575-A608 HydrophobicContact CB-CB 4.2Å; I576-A608 HydrophobicContact CG1-CB 3.79Å; L579-A608 HydrophobicContact CD1-CB 3.84Å; L579-A608 VanDerWaalsContact CD1-O 3.23Å; L579-A608 WeakPolarHBondContact CD1-O 3.37Å; L603-A608 HydrophobicContact CD1-CB 3.98Å; N604-A608 WeakPolarHBondContact O-CB 3.28Å; N604-A608 PolarHBondContact O-N 3.11Å; A608-E610 VanDerWaalsContact C-N 3.28Å; A608-E610 PolarHBondContact O-N 2.91Å; A608-F611 PolarHBondContact O-N 2.95Å; A608-A612 PolarHBondContact O-N 3.29Å
609P95.8Very high91.9Very high3 Ų329.2 Ų29.22%0.01914%0.141CC..Hα-helixtrans-60.7-35.4177.1-25.636.8000113.7N572 L575 R613 L653 F658N572-P609 WeakPolarHBondContact ND2-CG 3.25Å; L575-P609 HydrophobicContact CD1-CG 4.26Å; P609-R613 PolarHBondContact O-N 3Å; P609-L653 HydrophobicContact CB-CD2 4.36Å; P609-F658 HydrophobicContact CB-CB 4.06Å; P609-F658 HydrophobicContact CG-CB 4.04Å
610E95.3Very high91.2Very high0 Ų025.8 Ų25.80%012%0.12CC..Hα-helixtrans-77.1-35.3178.9179.463.9-170.500111.7T607 A608 R613 I614 R974 L977T607-E610 PolarHBondContact O-N 2.89Å; A608-E610 VanDerWaalsContact C-N 3.28Å; A608-E610 PolarHBondContact O-N 2.91Å; E610-R613 PolarHBondContact O-N 3.28Å; E610-R613 IonicContact OE1-CZ 2.73Å; E610-R613 IonicContact OE1-NE 2.68Å; E610-R613 PolarHBondContact OE1-NE 3.26Å; E610-R613 IonicContact OE1-NH2 2.67Å; E610-R613 PolarHBondContact OE1-NH2 3.34Å; E610-R613 IonicContact OE2-CZ 3.51Å; E610-R613 IonicContact OE2-NE 3.67Å; E610-R613 PolarHBondContact OE2-NE 2.89Å; E610-R613 IonicContact OE2-NH2 3.99Å; E610-R613 PolarHBondContact OE2-NH2 3.12Å; E610-I614 HydrophobicContact CG-CD1 4Å; E610-I614 WeakPolarHBondContact O-CD1 3.39Å; E610-I614 VanDerWaalsContact O-CG1 3.26Å; E610-I614 WeakPolarHBondContact O-CG1 3.12Å; E610-I614 PolarHBondContact O-N 2.97Å; E610-R974 VanDerWaalsContact CD-CD 3.48Å; E610-R974 WeakPolarHBondContact OE1-CD 3.36Å; E610-R974 IonicContact OE1-CZ 2.69Å; E610-R974 IonicContact OE1-NE 3.11Å; E610-R974 IonicContact OE1-NH1 3.72Å; E610-R974 PolarHBondContact OE1-NH1 3.45Å; E610-L977 HydrophobicContact CG-CB 3.96Å; E610-L977 HydrophobicContact CG-CD1 4.46Å; E610-L977 HydrophobicContact CG-CD2 3.76Å; E610-L977 HydrophobicContact CG-CG 4.26Å
611F96.2Very high90.6Very high1 Ų126.5 Ų26.50%0.00412%0.122CC..Hα-helixtrans-58.9-48.4168.4-90.4-108.6000110.7L579 L583 L598 L601 L603 T607 A608 R613 I614 L615 L977L579-F611 HydrophobicContact CD1-CB 3.93Å; L579-F611 HydrophobicContact CD2-CB 4.2Å; L583-F611 HydrophobicContact CD1-CD1 4.14Å; L583-F611 HydrophobicContact CD1-CE1 3.95Å; L583-F611 HydrophobicContact CD2-CE1 4.46Å; L598-F611 HydrophobicContact CB-CE1 4.08Å; L598-F611 HydrophobicContact CD1-CD1 4.45Å; L598-F611 HydrophobicContact CD2-CD1 4.29Å; L598-F611 HydrophobicContact CD2-CE1 4.22Å; L601-F611 HydrophobicContact CB-CE2 4.36Å; L601-F611 HydrophobicContact CB-CZ 3.89Å; L603-F611 HydrophobicContact CB-CE1 4.31Å; L603-F611 HydrophobicContact CB-CE2 4.45Å; L603-F611 HydrophobicContact CB-CZ 4.14Å; L603-F611 HydrophobicContact CD1-CB 4.22Å; L603-F611 HydrophobicContact CD1-CD1 4.23Å; L603-F611 HydrophobicContact CD1-CD2 4.06Å; L603-F611 HydrophobicContact CD1-CE2 4.42Å; L603-F611 HydrophobicContact CD1-CG 3.94Å; T607-F611 WeakPolarHBondContact O-CD2 3.49Å; T607-F611 PolarHBondContact O-N 3.06Å; A608-F611 PolarHBondContact O-N 2.95Å; F611-R613 VanDerWaalsContact C-N 3.34Å; F611-R613 PolarHBondContact O-N 2.98Å; F611-I614 PolarHBondContact O-N 3.21Å; F611-L615 WeakPolarHBondContact O-CG 3.47Å; F611-L615 PolarHBondContact O-N 2.85Å; F611-L977 HydrophobicContact CD2-CD1 3.77Å; F611-L977 HydrophobicContact CE2-CD1 3.5Å; F611-L977 HydrophobicContact CZ-CD1 4.43Å
612A96.1Very high89.4Confident0 Ų029.2 Ų29.20%014%0.137CC..Hα-helixtrans-56.6-46.9175.200000111.5L579 A608 I614 L615 L616 L673L579-A612 HydrophobicContact CD1-CB 4.46Å; L579-A612 HydrophobicContact CD2-CB 4.16Å; A608-A612 PolarHBondContact O-N 3.29Å; A612-I614 PolarHBondContact O-N 3.06Å; A612-L615 PolarHBondContact O-N 3.43Å; A612-L616 WeakPolarHBondContact O-CB 3.3Å; A612-L616 VanDerWaalsContact O-CG 3.3Å; A612-L616 WeakPolarHBondContact O-CG 3.41Å; A612-L616 PolarHBondContact O-N 3.38Å; A612-L673 HydrophobicContact CB-CD1 4.14Å; A612-L673 HydrophobicContact CB-CD2 4.24Å
613R95.1Very high88Confident35 Ų3526.3 Ų26.313%0.13212%0.122CC..Hα-helixtrans-57.7-44.9176.6-165.5178.475.5102.21.3113P609 E610 F611 R617 V650 L653P609-R613 PolarHBondContact O-N 3Å; E610-R613 PolarHBondContact O-N 3.28Å; E610-R613 IonicContact OE1-CZ 2.73Å; E610-R613 IonicContact OE1-NE 2.68Å; E610-R613 PolarHBondContact OE1-NE 3.26Å; E610-R613 IonicContact OE1-NH2 2.67Å; E610-R613 PolarHBondContact OE1-NH2 3.34Å; E610-R613 IonicContact OE2-CZ 3.51Å; E610-R613 IonicContact OE2-NE 3.67Å; E610-R613 PolarHBondContact OE2-NE 2.89Å; E610-R613 IonicContact OE2-NH2 3.99Å; E610-R613 PolarHBondContact OE2-NH2 3.12Å; F611-R613 VanDerWaalsContact C-N 3.34Å; F611-R613 PolarHBondContact O-N 2.98Å; R613-R617 WeakPolarHBondContact O-CB 3.33Å; R613-R617 PolarHBondContact O-N 2.73Å; R613-V650 WeakPolarHBondContact CD-O 3.38Å; R613-V650 HydrophobicContact CG-CG1 4.29Å; R613-V650 WeakPolarHBondContact CG-O 3.26Å; R613-L653 HydrophobicContact CB-CB 3.82Å; R613-L653 HydrophobicContact CB-CD1 4.03Å; R613-L653 HydrophobicContact CG-CB 3.7Å; R613-L653 HydrophobicContact CG-CD1 4.43Å
614I93.4Very high86.3Confident2 Ų230.5 Ų30.51%0.0114%0.141CC..Hα-helixtrans-66.2-42.4-178.1-68.6162.1000110.9T591 E593 L598 E610 F611 A612 Q618 L977T591-I614 HydrophobicContact CG2-CG2 3.95Å; E593-I614 HydrophobicContact CB-CD1 3.96Å; E593-I614 HydrophobicContact CG-CD1 3.78Å; L598-I614 HydrophobicContact CD1-CG2 3.92Å; L598-I614 HydrophobicContact CD2-CD1 4.02Å; L598-I614 HydrophobicContact CD2-CG2 4.26Å; L598-I614 HydrophobicContact CG-CG2 4.44Å; E610-I614 HydrophobicContact CG-CD1 4Å; E610-I614 WeakPolarHBondContact O-CD1 3.39Å; E610-I614 VanDerWaalsContact O-CG1 3.26Å; E610-I614 WeakPolarHBondContact O-CG1 3.12Å; E610-I614 PolarHBondContact O-N 2.97Å; F611-I614 PolarHBondContact O-N 3.21Å; A612-I614 PolarHBondContact O-N 3.06Å; I614-Q618 PolarHBondContact O-N 3.38Å; I614-Q618 VanDerWaalsContact O-N 3.12Å; I614-L977 HydrophobicContact CD1-CD2 3.55Å
615L93Very high84.5Confident3 Ų335.2 Ų35.22%0.01617%0.166CC..Hα-helixtrans-67.2-48178.3-65.5-176.1000112.1L579 L582 I588 T591 L598 F611 A612 R617 Q618 Q619 L676L579-L615 HydrophobicContact CD2-CD1 3.72Å; L582-L615 HydrophobicContact CB-CD1 4.05Å; L582-L615 HydrophobicContact CD1-CD1 3.91Å; I588-L615 HydrophobicContact CG2-CD1 4.31Å; I588-L615 HydrophobicContact CG2-CD2 3.62Å; T591-L615 HydrophobicContact CG2-CD2 4.32Å; L598-L615 HydrophobicContact CD1-CD2 3.71Å; L598-L615 HydrophobicContact CD1-CG 4.31Å; F611-L615 WeakPolarHBondContact O-CG 3.47Å; F611-L615 PolarHBondContact O-N 2.85Å; A612-L615 PolarHBondContact O-N 3.43Å; L615-R617 PolarHBondContact O-N 2.81Å; L615-Q618 WeakPolarHBondContact O-CB 3.33Å; L615-Q618 PolarHBondContact O-N 3.32Å; L615-Q618 VanDerWaalsContact O-N 3.1Å; L615-Q619 PolarHBondContact O-N 2.84Å; L615-L676 HydrophobicContact CB-CD2 3.89Å
616L92.3Very high82.6Confident0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-63.7-40.3177.5-68.8-179.3000112.1A612 Q618 Q619 A620 L646 I649 V650 L653 T669 L672 L673A612-L616 WeakPolarHBondContact O-CB 3.3Å; A612-L616 VanDerWaalsContact O-CG 3.3Å; A612-L616 WeakPolarHBondContact O-CG 3.41Å; A612-L616 PolarHBondContact O-N 3.38Å; L616-Q618 PolarHBondContact O-N 3.12Å; L616-Q619 WeakPolarHBondContact O-CA 3.31Å; L616-Q619 WeakPolarHBondContact O-CB 3.47Å; L616-Q619 PolarHBondContact O-N 2.98Å; L616-A620 PolarHBondContact O-N 2.73Å; L616-L646 HydrophobicContact CB-CD1 3.88Å; L616-L646 HydrophobicContact CD2-CD1 4.19Å; L616-L646 HydrophobicContact CG-CD1 4.48Å; L616-I649 HydrophobicContact CD1-CG2 4.19Å; L616-V650 HydrophobicContact CB-CG2 3.67Å; L616-L653 HydrophobicContact CD1-CD1 4.39Å; L616-T669 HydrophobicContact CD1-CG2 4.37Å; L616-L672 HydrophobicContact CD1-CB 4.26Å; L616-L672 HydrophobicContact CD2-CB 3.7Å; L616-L673 HydrophobicContact CD1-CD2 4.36Å; L616-L673 HydrophobicContact CD2-CD2 4.05Å; L616-L673 HydrophobicContact CG-CD2 4.06Å
617R89.5Confident80.5Confident68 Ų6838.6 Ų38.626%0.25719%0.191SC..Hα-helixtrans-61.5-32.2172.9-173.4-17562.6177.2-2.6112.5E593 R613 L615 K621 V650E593-R617 IonicContact OE2-CZ 2.69Å; E593-R617 IonicContact OE2-NH1 2.88Å; E593-R617 IonicContact OE2-NH2 2.74Å; E593-R617 PolarHBondContact OE2-NH2 3.18Å; R613-R617 WeakPolarHBondContact O-CB 3.33Å; R613-R617 PolarHBondContact O-N 2.73Å; L615-R617 PolarHBondContact O-N 2.81Å; R617-K621 WeakPolarHBondContact O-CG 3.39Å; R617-K621 PolarHBondContact O-N 3.48Å; R617-V650 HydrophobicContact CB-CG1 3.69Å; R617-V650 HydrophobicContact CB-CG2 4.35Å; R617-V650 HydrophobicContact CG-CG1 3.96Å
618Q83.4Confident78.2Confident69 Ų6948 Ų4832%0.32224%0.235SC..Hα-helixtrans-75.6-29.9175.4-162.4-176.118.700111.8T591 I614 L615 L616 N622T591-Q618 PolarHBondContact OG1-NE2 2.84Å; T591-Q618 PolarHBondContact OG1-OE1 3.06Å; I614-Q618 PolarHBondContact O-N 3.38Å; I614-Q618 VanDerWaalsContact O-N 3.12Å; L615-Q618 WeakPolarHBondContact O-CB 3.33Å; L615-Q618 PolarHBondContact O-N 3.32Å; L615-Q618 VanDerWaalsContact O-N 3.1Å; L616-Q618 PolarHBondContact O-N 3.12Å; Q618-N622 VanDerWaalsContact O-CG 3.26Å; Q618-N622 PolarHBondContact O-N 2.96Å; Q618-N622 PolarHBondContact O-ND2 2.95Å
619Q78.4Confident75.7Confident9 Ų951.5 Ų51.54%0.04227%0.271CS..Hα-helixtrans-64.5-47.6169.5-175.2175.5-3.300111.4L615 L616 K621 N622 Y623 L646 D675 L676L615-Q619 PolarHBondContact O-N 2.84Å; L616-Q619 WeakPolarHBondContact O-CA 3.31Å; L616-Q619 WeakPolarHBondContact O-CB 3.47Å; L616-Q619 PolarHBondContact O-N 2.98Å; Q619-K621 VanDerWaalsContact C-N 3.3Å; Q619-K621 PolarHBondContact O-N 3.31Å; Q619-N622 WeakPolarHBondContact O-CA 3.28Å; Q619-N622 WeakPolarHBondContact O-CB 3.43Å; Q619-N622 PolarHBondContact O-N 2.87Å; Q619-Y623 HydrophobicContact CG-CD2 4.17Å; Q619-Y623 HydrophobicContact CG-CE2 3.76Å; Q619-Y623 WeakPolarHBondContact O-CD2 3.45Å; Q619-Y623 PolarHBondContact O-N 3.38Å; Q619-L646 HydrophobicContact CG-CD2 4.32Å; Q619-D675 PolarHBondContact NE2-OD2 2.97Å; Q619-L676 HydrophobicContact CB-CD1 4.28Å; Q619-L676 HydrophobicContact CG-CD1 4.39Å
620A75.6Confident73Confident7 Ų755.1 Ų55.16%0.05830%0.296CS..Hα-helixtrans-54.6-45.3175.600000112L616 N622 Y623 Q624 L646L616-A620 PolarHBondContact O-N 2.73Å; A620-N622 VanDerWaalsContact C-N 3.27Å; A620-N622 PolarHBondContact O-N 2.96Å; A620-Y623 PolarHBondContact O-N 3.12Å; A620-Q624 PolarHBondContact O-N 3.06Å; A620-L646 HydrophobicContact CB-CD2 3.79Å; A620-L646 HydrophobicContact CB-CG 4.12Å
621K73.5Confident70.3Confident119 Ų11963.4 Ų63.452%0.51734%0.34SS..Hα-helixtrans-62.8-26.7173.8-72.3-175.8179.2-165.80114.2R617 Q619 N625R617-K621 WeakPolarHBondContact O-CG 3.39Å; R617-K621 PolarHBondContact O-N 3.48Å; Q619-K621 VanDerWaalsContact C-N 3.3Å; Q619-K621 PolarHBondContact O-N 3.31Å; K621-N625 PolarHBondContact O-ND2 3.09Å
622N67.7Low67.6Low73 Ų7367.9 Ų67.939%0.3936%0.364SS..Hα-helixtrans-75.9-39.2177.5-69-42.7000111.2Q618 Q619 A620 N625 S626Q618-N622 VanDerWaalsContact O-CG 3.26Å; Q618-N622 PolarHBondContact O-N 2.96Å; Q618-N622 PolarHBondContact O-ND2 2.95Å; Q619-N622 WeakPolarHBondContact O-CA 3.28Å; Q619-N622 WeakPolarHBondContact O-CB 3.43Å; Q619-N622 PolarHBondContact O-N 2.87Å; A620-N622 VanDerWaalsContact C-N 3.27Å; A620-N622 PolarHBondContact O-N 2.96Å; N622-N625 PolarHBondContact O-N 3.3Å; N622-S626 PolarHBondContact O-N 3.48Å; N622-S626 PolarHBondContact O-OG 2.97Å
623Y61.3Low64.9Low27 Ų2772.4 Ų72.411%0.10640%0.395CS..Hα-helixtrans-60.7-47.8176.4-74-64.2000112Q619 A620 N625 S626 D627 L646 R679Q619-Y623 HydrophobicContact CG-CD2 4.17Å; Q619-Y623 HydrophobicContact CG-CE2 3.76Å; Q619-Y623 WeakPolarHBondContact O-CD2 3.45Å; Q619-Y623 PolarHBondContact O-N 3.38Å; A620-Y623 PolarHBondContact O-N 3.12Å; Y623-N625 PolarHBondContact O-N 3.23Å; Y623-S626 WeakPolarHBondContact CA-OG 3.2Å; Y623-S626 PolarHBondContact O-N 3Å; Y623-S626 PolarHBondContact O-OG 3.01Å; Y623-D627 PolarHBondContact O-N 3Å; Y623-L646 HydrophobicContact CD2-CD2 4.11Å; Y623-L646 HydrophobicContact CE2-CD2 4.03Å; Y623-R679 PolarHBondContact OH-NH1 3.19Å; Y623-R679 PolarHBondContact OH-NH2 2.87Å
624Q58Low62.1Low128 Ų12877.3 Ų77.360%0.59842%0.423SS*.Hα-helixtrans-58.4-20.6176.8-68.1174.3-4.900113.8A620A620-Q624 PolarHBondContact O-N 3.06Å
625N55.4Low59.4Low132 Ų13281.3 Ų81.371%0.70644%0.442SS*.Hα-helixtrans-98.5-9.8177.3-73.4-58.4000114K621 N622 Y623K621-N625 PolarHBondContact O-ND2 3.09Å; N622-N625 PolarHBondContact O-N 3.3Å; Y623-N625 PolarHBondContact O-N 3.23Å
626S52Low56.4Low68 Ų6888.3 Ų88.348%0.47647%0.468SS..Hα-helixtrans-93.4-20.2178.248.90000114N622 Y623 E628N622-S626 PolarHBondContact O-N 3.48Å; N622-S626 PolarHBondContact O-OG 2.97Å; Y623-S626 WeakPolarHBondContact CA-OG 3.2Å; Y623-S626 PolarHBondContact O-N 3Å; Y623-S626 PolarHBondContact O-OG 3.01Å; S626-E628 VanDerWaalsContact C-N 3.3Å; S626-E628 PolarHBondContact O-N 3.03Å
627D49.2Very low53.5Low66 Ų6694.3 Ų94.335%0.35350%0.5SS..THydrogen-bonded Turntrans-78.7-0.4-169.3-83.79.9000115.8Y623 G629Y623-D627 PolarHBondContact O-N 3Å; D627-G629 VanDerWaalsContact C-N 3.27Å; D627-G629 PolarHBondContact O-N 2.98Å
628E46.7Very low51.1Low198 Ų19895.6 Ų95.693%0.92551%0.512SS*.THydrogen-bonded Turntrans-81.73.9176.2-63.4-162.4150.600114S626S626-E628 VanDerWaalsContact C-N 3.3Å; S626-E628 PolarHBondContact O-N 3.03Å
629G41.9Very low49.4Very low73 Ų7393.9 Ų93.975%0.75351%0.505SS*.SBendtrans-128.2-7.6-164.100000119.6D627D627-G629 VanDerWaalsContact C-N 3.27Å; D627-G629 PolarHBondContact O-N 2.98Å
630S40.1Very low48Very low80 Ų8099.7 Ų99.756%0.55953%0.531SS*.  trans-132.5124.6-175.456.20000114D632S630-D632 PolarHBondContact O-N 3.49Å
631D38.2Very low47.1Very low173 Ų173102.2 Ų102.293%0.92555%0.549SS*.  trans-81.112.6-175.7-109.5-17.9000114.3C633D631-C633 PolarHBondContact O-N 2.99Å; D631-C633 VanDerWaalsContact O-N 3.17Å
632D40Very low46.4Very low95 Ų9597.8 Ų97.851%0.50853%0.53SS..  trans-8989.6-167.7-142.4-23.7000112.4S630 L634 H635S630-D632 PolarHBondContact O-N 3.49Å; D632-L634 PolarHBondContact O-N 2.73Å; D632-H635 PolarHBondContact O-N 3.19Å
633C38.2Very low46.3Very low96 Ų9695.6 Ų95.665%0.64952%0.518SS*.Hα-helixtrans-55.1-25.6-174.1-81.90000115.2D631D631-C633 PolarHBondContact O-N 2.99Å; D631-C633 VanDerWaalsContact O-N 3.17Å
634L35.9Very low47Very low138 Ų13898.5 Ų98.572%0.72354%0.539SS*.Hα-helixtrans-72.4-32.4178.2-70.7173.9000112.6D632D632-L634 PolarHBondContact O-N 2.73Å
635H37.5Very low48.3Very low85 Ų8593.9 Ų93.939%0.39452%0.52SS..Hα-helixtrans-69.3-34.6176.6-90.9-81.5000112.4D632 N637 L638 N639D632-H635 PolarHBondContact O-N 3.19Å; H635-N637 PolarHBondContact O-N 2.84Å; H635-L638 PolarHBondContact O-N 3.09Å; H635-N639 PolarHBondContact O-N 3.36Å; H635-N639 VanDerWaalsContact O-N 3.12Å
636R30.3Very low49.7Very low150 Ų15087.7 Ų87.757%0.56649%0.486SS*.Hα-helixtrans-56.9-45.8179.7-87.7-172.4169.8-174.4-1.3113.3L638 N639 H640R636-L638 PolarHBondContact O-N 3.49Å; R636-N639 PolarHBondContact O-N 3.31Å; R636-H640 WeakPolarHBondContact O-CB 3.36Å; R636-H640 PolarHBondContact O-N 3.3Å
637N31.9Very low51.5Low127 Ų12788 Ų8868%0.67948%0.482SS*.Hα-helixtrans-69.2-33.7-174.5-74.6-22.3000113.4H635H635-N637 PolarHBondContact O-N 2.84Å
638L38.5Very low53.5Low95 Ų9587.2 Ų87.250%0.49748%0.483SS..Hα-helixtrans-71.6-44.3174.5-84.2142.7000111.4H635 R636 S641H635-L638 PolarHBondContact O-N 3.09Å; R636-L638 PolarHBondContact O-N 3.49Å; L638-S641 PolarHBondContact O-N 3.44Å; L638-S641 PolarHBondContact O-OG 3.06Å
639N46.6Very low55.7Low33 Ų3377.8 Ų77.818%0.17644%0.439CS..Hα-helixtrans-63.7-44.6179.5-68.7-2.2000112H635 R636 S641 Q642 D643H635-N639 PolarHBondContact O-N 3.36Å; H635-N639 VanDerWaalsContact O-N 3.12Å; R636-N639 PolarHBondContact O-N 3.31Å; N639-S641 PolarHBondContact O-N 3.14Å; N639-S641 VanDerWaalsContact O-N 3.11Å; N639-Q642 WeakPolarHBondContact O-CA 3.27Å; N639-Q642 WeakPolarHBondContact O-CB 3.48Å; N639-Q642 PolarHBondContact O-N 3.23Å; N639-D643 PolarHBondContact O-N 3.5Å
640H49.8Very low58.1Low130 Ų13075 Ų7560%0.60241%0.407SS*.Hα-helixtrans-56.7-34.7-178.5-126.1-14.7000113.6R636 Q642 T644R636-H640 WeakPolarHBondContact O-CB 3.36Å; R636-H640 PolarHBondContact O-N 3.3Å; H640-Q642 VanDerWaalsContact C-N 3.31Å; H640-Q642 PolarHBondContact O-N 3.02Å; H640-T644 WeakPolarHBondContact O-CG2 3.23Å; H640-T644 PolarHBondContact O-N 3.35Å; H640-T644 PolarHBondContact O-OG1 3.36Å; H640-T644 VanDerWaalsContact O-OG1 3.04Å
641S56.4Low60.6Low61 Ų6177 Ų7743%0.42741%0.407SS..Hα-helixtrans-69.7-26.6175.577.30000113.4L638 N639 T644 V645L638-S641 PolarHBondContact O-N 3.44Å; L638-S641 PolarHBondContact O-OG 3.06Å; N639-S641 PolarHBondContact O-N 3.14Å; N639-S641 VanDerWaalsContact O-N 3.11Å; S641-T644 PolarHBondContact O-OG1 2.82Å; S641-V645 WeakPolarHBondContact O-CG2 3.29Å
642Q58Low63.3Low26 Ų2670.4 Ų70.412%0.12137%0.372CS..Hα-helixtrans-85.4-39.9177.8-61.6-173.813.100111.3N639 H640 T644 V645 L646N639-Q642 WeakPolarHBondContact O-CA 3.27Å; N639-Q642 WeakPolarHBondContact O-CB 3.48Å; N639-Q642 PolarHBondContact O-N 3.23Å; H640-Q642 VanDerWaalsContact C-N 3.31Å; H640-Q642 PolarHBondContact O-N 3.02Å; Q642-T644 PolarHBondContact O-N 2.92Å; Q642-V645 PolarHBondContact O-N 3.14Å; Q642-L646 WeakPolarHBondContact O-CB 3.19Å; Q642-L646 PolarHBondContact O-N 3.17Å
643D66.4Low65.8Low26 Ų2666 Ų6614%0.13935%0.348CS..Hα-helixtrans-62-44.2179.1-62.7-42.1000111.7N639 V645 L646 D647N639-D643 PolarHBondContact O-N 3.5Å; D643-V645 VanDerWaalsContact C-N 3.31Å; D643-V645 PolarHBondContact O-N 3.1Å; D643-L646 PolarHBondContact O-N 3.08Å; D643-D647 WeakPolarHBondContact O-CB 3.46Å; D643-D647 PolarHBondContact O-N 3.29Å
644T76.6Confident68.4Low88 Ų8861.9 Ų61.954%0.5432%0.322SS..Hα-helixtrans-61.9-35.8176.548.80000113.2H640 S641 Q642 S648H640-T644 WeakPolarHBondContact O-CG2 3.23Å; H640-T644 PolarHBondContact O-N 3.35Å; H640-T644 PolarHBondContact O-OG1 3.36Å; H640-T644 VanDerWaalsContact O-OG1 3.04Å; S641-T644 PolarHBondContact O-OG1 2.82Å; Q642-T644 PolarHBondContact O-N 2.92Å; T644-S648 VanDerWaalsContact O-CB 3.29Å; T644-S648 WeakPolarHBondContact O-CB 3.44Å; T644-S648 PolarHBondContact O-N 2.85Å
645V83.9Confident71.1Confident32 Ų3259.6 Ų59.619%0.19431%0.31CS..Hα-helixtrans-72.4-42.1173.9174.20000110.9S641 Q642 D643 S648 I649 Q668S641-V645 WeakPolarHBondContact O-CG2 3.29Å; Q642-V645 PolarHBondContact O-N 3.14Å; D643-V645 VanDerWaalsContact C-N 3.31Å; D643-V645 PolarHBondContact O-N 3.1Å; V645-S648 PolarHBondContact O-N 3.06Å; V645-I649 HydrophobicContact CG1-CG1 4.4Å; V645-I649 VanDerWaalsContact O-CG1 3.28Å; V645-I649 WeakPolarHBondContact O-CG1 3.47Å; V645-I649 PolarHBondContact O-N 3.47Å; V645-Q668 HydrophobicContact CG1-CB 4.32Å; V645-Q668 HydrophobicContact CG1-CG 4.19Å
646L86.8Confident73.7Confident2 Ų263 Ų631%0.0132%0.32CS..Hα-helixtrans-61.6-48.8178.6175.558.9000111.6L616 Q619 A620 Y623 Q642 D643 I649 V650 L672L616-L646 HydrophobicContact CB-CD1 3.88Å; L616-L646 HydrophobicContact CD2-CD1 4.19Å; L616-L646 HydrophobicContact CG-CD1 4.48Å; Q619-L646 HydrophobicContact CG-CD2 4.32Å; A620-L646 HydrophobicContact CB-CD2 3.79Å; A620-L646 HydrophobicContact CB-CG 4.12Å; Y623-L646 HydrophobicContact CD2-CD2 4.11Å; Y623-L646 HydrophobicContact CE2-CD2 4.03Å; Q642-L646 WeakPolarHBondContact O-CB 3.19Å; Q642-L646 PolarHBondContact O-N 3.17Å; D643-L646 PolarHBondContact O-N 3.08Å; L646-I649 PolarHBondContact O-N 3.48Å; L646-V650 HydrophobicContact CD1-CG2 4.1Å; L646-V650 WeakPolarHBondContact O-CB 3.5Å; L646-V650 VanDerWaalsContact O-CG2 3.3Å; L646-V650 WeakPolarHBondContact O-CG2 3.33Å; L646-V650 PolarHBondContact O-N 3.29Å; L646-L672 HydrophobicContact CB-CD1 4.5Å; L646-L672 HydrophobicContact CB-CD2 4.43Å; L646-L672 HydrophobicContact CD1-CD1 3.99Å; L646-L672 HydrophobicContact CD1-CD2 4.27Å
647D88.3Confident76.6Confident73 Ų7356.5 Ų56.539%0.3930%0.296SS..Hα-helixtrans-62.2-43.9178-76.8-23.9000111.3D643 I649 V650 E651D643-D647 WeakPolarHBondContact O-CB 3.46Å; D643-D647 PolarHBondContact O-N 3.29Å; D647-I649 PolarHBondContact O-N 3.3Å; D647-V650 PolarHBondContact O-N 3.41Å; D647-E651 WeakPolarHBondContact O-CB 3.31Å; D647-E651 PolarHBondContact O-N 2.73Å
648S91.3Very high79.5Confident51 Ų5150.4 Ų50.436%0.35726%0.263SS..Hα-helixtrans-59.4-43.2175.4179.10000112.7T644 V645 N652T644-S648 VanDerWaalsContact O-CB 3.29Å; T644-S648 WeakPolarHBondContact O-CB 3.44Å; T644-S648 PolarHBondContact O-N 2.85Å; V645-S648 PolarHBondContact O-N 3.06Å; S648-N652 WeakPolarHBondContact O-CB 3.31Å; S648-N652 PolarHBondContact O-N 3.3Å; S648-N652 PolarHBondContact O-ND2 3.22Å
649I92.7Very high81.9Confident0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-67-43.1176.3-68.2-65.8000111.2L616 V645 L646 D647 N652 L653 F661 M665 Q668 T669 L672L616-I649 HydrophobicContact CD1-CG2 4.19Å; V645-I649 HydrophobicContact CG1-CG1 4.4Å; V645-I649 VanDerWaalsContact O-CG1 3.28Å; V645-I649 WeakPolarHBondContact O-CG1 3.47Å; V645-I649 PolarHBondContact O-N 3.47Å; L646-I649 PolarHBondContact O-N 3.48Å; D647-I649 PolarHBondContact O-N 3.3Å; I649-N652 PolarHBondContact O-N 2.93Å; I649-L653 HydrophobicContact CG2-CD1 3.94Å; I649-L653 HydrophobicContact CG2-CG 4.4Å; I649-L653 WeakPolarHBondContact O-CB 3.44Å; I649-L653 VanDerWaalsContact O-CG 3.3Å; I649-L653 WeakPolarHBondContact O-CG 3.19Å; I649-L653 PolarHBondContact O-N 2.95Å; I649-F661 HydrophobicContact CD1-CE2 4.44Å; I649-M665 HydrophobicContact CD1-CB 3.7Å; I649-M665 HydrophobicContact CD1-CE 4.25Å; I649-M665 HydrophobicContact CD1-CG 3.91Å; I649-Q668 HydrophobicContact CD1-CB 4.16Å; I649-Q668 HydrophobicContact CG1-CB 4.35Å; I649-T669 HydrophobicContact CG2-CG2 4.37Å; I649-T669 WeakPolarHBondContact CG2-OG1 3.35Å; I649-L672 HydrophobicContact CB-CD1 4.16Å; I649-L672 HydrophobicContact CG1-CD1 4.1Å; I649-L672 HydrophobicContact CG2-CD1 4.25Å
650V93.1Very high84Confident14 Ų1448.4 Ų48.49%0.08525%0.252CS..Hα-helixtrans-64.6-39.7178.7166.90000112R613 L616 R617 L646 D647 G654R613-V650 WeakPolarHBondContact CD-O 3.38Å; R613-V650 HydrophobicContact CG-CG1 4.29Å; R613-V650 WeakPolarHBondContact CG-O 3.26Å; L616-V650 HydrophobicContact CB-CG2 3.67Å; R617-V650 HydrophobicContact CB-CG1 3.69Å; R617-V650 HydrophobicContact CB-CG2 4.35Å; R617-V650 HydrophobicContact CG-CG1 3.96Å; L646-V650 HydrophobicContact CD1-CG2 4.1Å; L646-V650 WeakPolarHBondContact O-CB 3.5Å; L646-V650 VanDerWaalsContact O-CG2 3.3Å; L646-V650 WeakPolarHBondContact O-CG2 3.33Å; L646-V650 PolarHBondContact O-N 3.29Å; D647-V650 PolarHBondContact O-N 3.41Å; V650-G654 PolarHBondContact O-N 2.86Å
651E92.8Very high86Confident123 Ų12342.7 Ų42.758%0.57523%0.226SC*.Hα-helixtrans-64.8-52173.8-176.3178.3-168.500110.8D647 L653 G654 L655D647-E651 WeakPolarHBondContact O-CB 3.31Å; D647-E651 PolarHBondContact O-N 2.73Å; E651-L653 VanDerWaalsContact C-N 3.3Å; E651-L653 PolarHBondContact O-N 3.11Å; E651-G654 WeakPolarHBondContact O-CA 3.16Å; E651-G654 PolarHBondContact O-N 3.47Å; E651-L655 HydrophobicContact CG-CD1 3.88Å; E651-L655 HydrophobicContact CG-CG 4.41Å; E651-L655 WeakPolarHBondContact O-CG 3.24Å; E651-L655 PolarHBondContact O-N 3.34Å; E651-L655 VanDerWaalsContact O-N 3.09Å
652N93.7Very high87.6Confident33 Ų3344 Ų4418%0.17623%0.228CC..Hα-helixtrans-62.9-34.4-178-83.1-84.7000113S648 I649 G654 L655 R656 F661 M665S648-N652 WeakPolarHBondContact O-CB 3.31Å; S648-N652 PolarHBondContact O-N 3.3Å; S648-N652 PolarHBondContact O-ND2 3.22Å; I649-N652 PolarHBondContact O-N 2.93Å; N652-G654 PolarHBondContact O-N 2.8Å; N652-L655 PolarHBondContact O-N 2.83Å; N652-L655 VanDerWaalsContact O-N 3.08Å; N652-R656 PolarHBondContact O-N 2.84Å; N652-F661 HydrophobicContact CB-CE1 4.03Å; N652-F661 HydrophobicContact CB-CE2 4.4Å; N652-F661 HydrophobicContact CB-CZ 3.72Å; N652-M665 HydrophobicContact CB-CE 3.42Å; N652-M665 VanDerWaalsContact CB-CE 3.42Å
653L94Very high89.2Confident3 Ų343.8 Ų43.82%0.01623%0.228CC..Hα-helixtrans-66.1-23.4174-76.8170.3000111.7P609 R613 L616 I649 E651 F658 F661 T669P609-L653 HydrophobicContact CB-CD2 4.36Å; R613-L653 HydrophobicContact CB-CB 3.82Å; R613-L653 HydrophobicContact CB-CD1 4.03Å; R613-L653 HydrophobicContact CG-CB 3.7Å; R613-L653 HydrophobicContact CG-CD1 4.43Å; L616-L653 HydrophobicContact CD1-CD1 4.39Å; I649-L653 HydrophobicContact CG2-CD1 3.94Å; I649-L653 HydrophobicContact CG2-CG 4.4Å; I649-L653 WeakPolarHBondContact O-CB 3.44Å; I649-L653 VanDerWaalsContact O-CG 3.3Å; I649-L653 WeakPolarHBondContact O-CG 3.19Å; I649-L653 PolarHBondContact O-N 2.95Å; E651-L653 VanDerWaalsContact C-N 3.3Å; E651-L653 PolarHBondContact O-N 3.11Å; L653-F658 HydrophobicContact CD2-CB 4.23Å; L653-F658 HydrophobicContact CD2-CD2 4.08Å; L653-F661 HydrophobicContact CB-CZ 4.27Å; L653-F661 HydrophobicContact CD2-CE1 4.5Å; L653-F661 HydrophobicContact CD2-CE2 3.85Å; L653-F661 HydrophobicContact CD2-CZ 3.6Å; L653-F661 HydrophobicContact CG-CE2 3.96Å; L653-F661 HydrophobicContact CG-CZ 3.68Å; L653-T669 HydrophobicContact CD1-CG2 4.41Å
654G91.4Very high90.4Very high10 Ų1047.4 Ų47.410%0.10324%0.244CC..Hα-helixtrans-78.2-34.1171.700000112.3V650 E651 N652 T970V650-G654 PolarHBondContact O-N 2.86Å; E651-G654 WeakPolarHBondContact O-CA 3.16Å; E651-G654 PolarHBondContact O-N 3.47Å; N652-G654 PolarHBondContact O-N 2.8Å; G654-T970 PolarHBondContact O-OG1 2.9Å
655L93.3Very high91.1Very high90 Ų9044.4 Ų44.447%0.47122%0.224SC..Hα-helixtrans-90.8-30.8-172.8-64.1176.9000114.6E651 N652E651-L655 HydrophobicContact CG-CD1 3.88Å; E651-L655 HydrophobicContact CG-CG 4.41Å; E651-L655 WeakPolarHBondContact O-CG 3.24Å; E651-L655 PolarHBondContact O-N 3.34Å; E651-L655 VanDerWaalsContact O-N 3.09Å; N652-L655 PolarHBondContact O-N 2.83Å; N652-L655 VanDerWaalsContact O-N 3.08Å
656R92Very high91.5Very high155 Ų15543 Ų4359%0.58522%0.215SC*.SBendtrans-142.5154.8-172.4-57.5-177-173.6-172.84.1111.7N652 F661 T971N652-R656 PolarHBondContact O-N 2.84Å; R656-F661 HydrophobicContact CB-CE1 4.29Å; R656-T971 VanDerWaalsContact C-CG2 3.41Å; R656-T971 WeakPolarHBondContact O-CG2 3.37Å
657E91.7Very high91.8Very high14 Ų1442.9 Ų42.97%0.06522%0.215CC..  trans-68.8143.8173.6-54.3-55.7153.900111.5H659 L660 T971 W972 S973E657-H659 VanDerWaalsContact C-N 3.28Å; E657-H659 WeakPolarHBondContact CB-CE1 3.48Å; E657-H659 WeakPolarHBondContact CB-ND1 3.36Å; E657-H659 PolarHBondContact O-N 3.15Å; E657-L660 HydrophobicContact CB-CD1 4.32Å; E657-L660 HydrophobicContact CB-CG 4.38Å; E657-L660 WeakPolarHBondContact O-CB 3.46Å; E657-L660 PolarHBondContact O-N 3.43Å; E657-T971 WeakPolarHBondContact OE1-CA 3.28Å; E657-T971 WeakPolarHBondContact OE1-CB 3.39Å; E657-W972 WeakPolarHBondContact OE1-CB 3.26Å; E657-W972 PolarHBondContact OE1-N 2.98Å; E657-S973 PolarHBondContact OE2-OG 3.03Å
658F93.2Very high91.9Very high0 Ų040.4 Ų40.40%020%0.201CC..G310 helixtrans-56.9-35.7-176.7-179.8-119.6000114.4L571 L575 P609 L653 L660 F661 K666 T669 F670L571-F658 HydrophobicContact CB-CD1 4.25Å; L571-F658 HydrophobicContact CB-CE1 3.99Å; L575-F658 HydrophobicContact CD1-CD1 3.45Å; L575-F658 VanDerWaalsContact CD1-CD1 3.45Å; L575-F658 HydrophobicContact CD1-CE1 3.68Å; L575-F658 HydrophobicContact CD1-CG 3.98Å; L575-F658 HydrophobicContact CD1-CZ 4.4Å; L575-F658 HydrophobicContact CD2-CE1 4.11Å; L575-F658 HydrophobicContact CD2-CZ 4.23Å; L575-F658 HydrophobicContact CG-CD1 4.11Å; L575-F658 HydrophobicContact CG-CE1 3.81Å; L575-F658 HydrophobicContact CG-CZ 4.42Å; P609-F658 HydrophobicContact CB-CB 4.06Å; P609-F658 HydrophobicContact CG-CB 4.04Å; L653-F658 HydrophobicContact CD2-CB 4.23Å; L653-F658 HydrophobicContact CD2-CD2 4.08Å; F658-L660 PolarHBondContact O-N 2.81Å; F658-F661 AromaticContact CD2-CD2 3.78Å; F658-F661 HydrophobicContact CD2-CD2 3.78Å; F658-F661 AromaticContact CD2-CE2 4Å; F658-F661 HydrophobicContact CD2-CE2 4Å; F658-F661 HydrophobicContact CD2-CG 4.27Å; F658-F661 HydrophobicContact CE2-CD2 4.14Å; F658-F661 VanDerWaalsContact O-CB 3.32Å; F658-F661 WeakPolarHBondContact O-CB 3.48Å; F658-F661 PolarHBondContact O-N 2.93Å; F658-F661 VanDerWaalsContact O-N 3.12Å; F658-K666 HydrophobicContact CE2-CB 4.39Å; F658-K666 HydrophobicContact CE2-CG 4.31Å; F658-K666 HydrophobicContact CZ-CB 4.27Å; F658-K666 HydrophobicContact CZ-CG 4.36Å; F658-T669 HydrophobicContact CD2-CG2 4.39Å; F658-T669 HydrophobicContact CE2-CG2 3.77Å; F658-T669 HydrophobicContact CZ-CG2 4.32Å; F658-F670 HydrophobicContact CE1-CE2 4.08Å; F658-F670 AromaticContact CE1-CZ 3.91Å; F658-F670 HydrophobicContact CE1-CZ 3.91Å; F658-F670 HydrophobicContact CZ-CD2 4.34Å; F658-F670 AromaticContact CZ-CE2 3.79Å; F658-F670 HydrophobicContact CZ-CE2 3.79Å; F658-F670 AromaticContact CZ-CZ 3.99Å; F658-F670 HydrophobicContact CZ-CZ 3.99Å
659H87.9Confident92Very high16 Ų1638 Ų387%0.07418%0.184CC..G310 helixtrans-65.9-20.5178.867.4-88.2000113.6S567 F568 E657 K666 H866S567-H659 WeakPolarHBondContact OG-CB 3.25Å; F568-H659 HydrophobicContact CB-CB 4.23Å; F568-H659 AromaticContact CD2-ND1 3.8Å; E657-H659 VanDerWaalsContact C-N 3.28Å; E657-H659 WeakPolarHBondContact CB-CE1 3.48Å; E657-H659 WeakPolarHBondContact CB-ND1 3.36Å; E657-H659 PolarHBondContact O-N 3.15Å; H659-K666 VanDerWaalsContact O-CE 3.23Å; H659-K666 WeakPolarHBondContact O-CE 3.46Å; H659-K666 PolarHBondContact O-NZ 3.03Å; H659-H866 AromaticContact CE1-CE1 3.45Å; H659-H866 PolarHBondContact CE1-CE1 3.4Å; H659-H866 VanDerWaalsContact CE1-CE1 3.45Å; H659-H866 AromaticContact CE1-NE2 3.97Å
660L90.6Very high92.1Very high70 Ų7038 Ų3837%0.36618%0.184SC..G310 helixtrans-91.14.5176.7-55.3177.2000113.4E564 E657 F658E564-L660 HydrophobicContact CB-CD2 4.32Å; E657-L660 HydrophobicContact CB-CD1 4.32Å; E657-L660 HydrophobicContact CB-CG 4.38Å; E657-L660 WeakPolarHBondContact O-CB 3.46Å; E657-L660 PolarHBondContact O-N 3.43Å; F658-L660 PolarHBondContact O-N 2.81Å
661F91.8Very high91.9Very high10 Ų1038.4 Ų38.44%0.04419%0.186CC..SBendtrans-73.1151.9174.1-78.119.9000110.7I649 N652 L653 R656 F658 M665 K666I649-F661 HydrophobicContact CD1-CE2 4.44Å; N652-F661 HydrophobicContact CB-CE1 4.03Å; N652-F661 HydrophobicContact CB-CE2 4.4Å; N652-F661 HydrophobicContact CB-CZ 3.72Å; L653-F661 HydrophobicContact CB-CZ 4.27Å; L653-F661 HydrophobicContact CD2-CE1 4.5Å; L653-F661 HydrophobicContact CD2-CE2 3.85Å; L653-F661 HydrophobicContact CD2-CZ 3.6Å; L653-F661 HydrophobicContact CG-CE2 3.96Å; L653-F661 HydrophobicContact CG-CZ 3.68Å; R656-F661 HydrophobicContact CB-CE1 4.29Å; F658-F661 AromaticContact CD2-CD2 3.78Å; F658-F661 HydrophobicContact CD2-CD2 3.78Å; F658-F661 AromaticContact CD2-CE2 4Å; F658-F661 HydrophobicContact CD2-CE2 4Å; F658-F661 HydrophobicContact CD2-CG 4.27Å; F658-F661 HydrophobicContact CE2-CD2 4.14Å; F658-F661 VanDerWaalsContact O-CB 3.32Å; F658-F661 WeakPolarHBondContact O-CB 3.48Å; F658-F661 PolarHBondContact O-N 2.93Å; F658-F661 VanDerWaalsContact O-N 3.12Å; F661-M665 HydrophobicContact CB-CB 4.06Å; F661-M665 HydrophobicContact CD2-CB 3.69Å; F661-M665 HydrophobicContact CD2-CE 4.04Å; F661-M665 HydrophobicContact CE2-CB 4.49Å; F661-M665 HydrophobicContact CE2-CE 4.09Å; F661-M665 HydrophobicContact CG-CB 4.19Å; F661-M665 HydrophobicContact CG-CE 4.25Å; F661-M665 HydrophobicContact CZ-CE 4.37Å; F661-K666 HydrophobicContact CB-CG 3.79Å; F661-K666 WeakPolarHBondContact O-CE 3.41Å
662N90.8Very high91.9Very high89 Ų8933.2 Ų33.248%0.47616%0.162SC..  trans-65.5160.2166.671.141.6000110.5Q664 M665 K666N662-Q664 VanDerWaalsContact C-N 3.26Å; N662-Q664 PolarHBondContact O-N 2.94Å; N662-Q664 PolarHBondContact OD1-N 3.33Å; N662-M665 PolarHBondContact ND2-SD 2.71Å; N662-M665 VanDerWaalsContact ND2-SD 3.45Å; N662-M665 PolarHBondContact O-N 3.07Å; N662-M665 VanDerWaalsContact O-N 3.16Å; N662-M665 WeakPolarHBondContact OD1-CB 3.47Å; N662-M665 WeakPolarHBondContact OD1-CG 3.46Å; N662-M665 PolarHBondContact OD1-N 3.29Å; N662-K666 PolarHBondContact O-N 3.1Å
663V91Very high91.8Very high21 Ų2131.7 Ų31.713%0.12715%0.154CC..Hα-helixtrans-57.5-39.1-174.5-178.60000112.2I522 M526 L561 K666 L667I522-V663 HydrophobicContact CG1-CG1 4.38Å; M526-V663 HydrophobicContact CE-CB 3.54Å; M526-V663 HydrophobicContact CE-CG1 3.42Å; M526-V663 VanDerWaalsContact CE-CG1 3.42Å; L561-V663 HydrophobicContact CB-CG1 4.1Å; L561-V663 HydrophobicContact CD1-CG1 4.22Å; L561-V663 HydrophobicContact CD2-CG1 4.44Å; V663-K666 PolarHBondContact O-N 2.64Å; V663-L667 HydrophobicContact CG1-CD1 4.06Å; V663-L667 HydrophobicContact CG1-CG 4.47Å; V663-L667 WeakPolarHBondContact O-CG 3.21Å; V663-L667 PolarHBondContact O-N 3.1Å
664Q90.6Very high91.6Very high101 Ų10131.7 Ų31.747%0.47215%0.154SC..Hα-helixtrans-62.7-45.8178.9179.5178.6-14.200111.7M526 N662 L667 Q668M526-Q664 HydrophobicContact CE-CB 4.26Å; M526-Q664 HydrophobicContact SD-CB 4.49Å; N662-Q664 VanDerWaalsContact C-N 3.26Å; N662-Q664 PolarHBondContact O-N 2.94Å; N662-Q664 PolarHBondContact OD1-N 3.33Å; Q664-L667 PolarHBondContact O-N 2.76Å; Q664-Q668 HydrophobicContact CG-CG 4.42Å; Q664-Q668 WeakPolarHBondContact O-CB 3.46Å; Q664-Q668 VanDerWaalsContact O-CG 3.25Å; Q664-Q668 WeakPolarHBondContact O-CG 3.4Å; Q664-Q668 PolarHBondContact O-N 2.67Å
665M91.6Very high91.2Very high25 Ų2532.1 Ų32.112%0.12315%0.153CC..Hα-helixtrans-68.3-35.6178-69.3169.968.900112.4I649 N652 F661 N662 Q668 T669I649-M665 HydrophobicContact CD1-CB 3.7Å; I649-M665 HydrophobicContact CD1-CE 4.25Å; I649-M665 HydrophobicContact CD1-CG 3.91Å; N652-M665 HydrophobicContact CB-CE 3.42Å; N652-M665 VanDerWaalsContact CB-CE 3.42Å; F661-M665 HydrophobicContact CB-CB 4.06Å; F661-M665 HydrophobicContact CD2-CB 3.69Å; F661-M665 HydrophobicContact CD2-CE 4.04Å; F661-M665 HydrophobicContact CE2-CB 4.49Å; F661-M665 HydrophobicContact CE2-CE 4.09Å; F661-M665 HydrophobicContact CG-CB 4.19Å; F661-M665 HydrophobicContact CG-CE 4.25Å; F661-M665 HydrophobicContact CZ-CE 4.37Å; N662-M665 PolarHBondContact ND2-SD 2.71Å; N662-M665 VanDerWaalsContact ND2-SD 3.45Å; N662-M665 PolarHBondContact O-N 3.07Å; N662-M665 VanDerWaalsContact O-N 3.16Å; N662-M665 WeakPolarHBondContact OD1-CB 3.47Å; N662-M665 WeakPolarHBondContact OD1-CG 3.46Å; N662-M665 PolarHBondContact OD1-N 3.29Å; M665-Q668 PolarHBondContact O-N 3.45Å; M665-T669 PolarHBondContact O-N 2.73Å; M665-T669 PolarHBondContact O-OG1 2.9Å
666K93.4Very high90.9Very high2 Ų228.9 Ų28.91%0.00914%0.137CC..Hα-helixtrans-57-50.8171.1-71.6176.8173.2176.30110.6L561 Q563 S567 L571 F658 H659 F661 N662 V663 T669 F670L561-K666 HydrophobicContact CD2-CB 3.82Å; L561-K666 HydrophobicContact CD2-CD 4.17Å; L561-K666 PolarHBondContact O-NZ 3.02Å; Q563-K666 PolarHBondContact O-NZ 3.32Å; S567-K666 PolarHBondContact OG-NZ 3.17Å; L571-K666 HydrophobicContact CD1-CD 3.7Å; L571-K666 HydrophobicContact CD1-CG 4.48Å; F658-K666 HydrophobicContact CE2-CB 4.39Å; F658-K666 HydrophobicContact CE2-CG 4.31Å; F658-K666 HydrophobicContact CZ-CB 4.27Å; F658-K666 HydrophobicContact CZ-CG 4.36Å; H659-K666 VanDerWaalsContact O-CE 3.23Å; H659-K666 WeakPolarHBondContact O-CE 3.46Å; H659-K666 PolarHBondContact O-NZ 3.03Å; F661-K666 HydrophobicContact CB-CG 3.79Å; F661-K666 WeakPolarHBondContact O-CE 3.41Å; N662-K666 PolarHBondContact O-N 3.1Å; V663-K666 PolarHBondContact O-N 2.64Å; K666-T669 PolarHBondContact O-N 3.28Å; K666-F670 WeakPolarHBondContact O-CD2 3.44Å; K666-F670 PolarHBondContact O-N 3.12Å
667L92.3Very high90.6Very high0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-63.7-45.4178-68.5170.8000112.9M526 D529 V530 I533 F557 L561 V663 Q664 T669 F670 I671M526-L667 HydrophobicContact CB-CD1 3.88Å; M526-L667 HydrophobicContact CE-CD1 4.43Å; M526-L667 HydrophobicContact CG-CD1 4.34Å; D529-L667 HydrophobicContact CB-CB 4.4Å; D529-L667 HydrophobicContact CB-CD1 4.26Å; V530-L667 HydrophobicContact CG2-CD1 4.14Å; V530-L667 HydrophobicContact CG2-CD2 3.67Å; I533-L667 HydrophobicContact CD1-CD2 3.54Å; F557-L667 HydrophobicContact CE1-CD2 4.13Å; F557-L667 HydrophobicContact CZ-CD2 4.38Å; L561-L667 HydrophobicContact CD1-CD2 3.89Å; L561-L667 HydrophobicContact CD1-CG 4.37Å; L561-L667 HydrophobicContact CD2-CD2 4.24Å; L561-L667 HydrophobicContact CD2-CG 4.38Å; V663-L667 HydrophobicContact CG1-CD1 4.06Å; V663-L667 HydrophobicContact CG1-CG 4.47Å; V663-L667 WeakPolarHBondContact O-CG 3.21Å; V663-L667 PolarHBondContact O-N 3.1Å; Q664-L667 PolarHBondContact O-N 2.76Å; L667-T669 VanDerWaalsContact C-N 3.29Å; L667-T669 PolarHBondContact O-N 3.28Å; L667-F670 PolarHBondContact O-N 2.64Å; L667-I671 WeakPolarHBondContact O-CG1 3.42Å; L667-I671 PolarHBondContact O-N 3.17Å
668Q91.8Very high90.2Very high22 Ų2223.3 Ų23.310%0.10312%0.119CC..Hα-helixtrans-59.6-38.6177.7-75.6172.7-24.500112V645 I649 Q664 M665 I671 L672V645-Q668 HydrophobicContact CG1-CB 4.32Å; V645-Q668 HydrophobicContact CG1-CG 4.19Å; I649-Q668 HydrophobicContact CD1-CB 4.16Å; I649-Q668 HydrophobicContact CG1-CB 4.35Å; Q664-Q668 HydrophobicContact CG-CG 4.42Å; Q664-Q668 WeakPolarHBondContact O-CB 3.46Å; Q664-Q668 VanDerWaalsContact O-CG 3.25Å; Q664-Q668 WeakPolarHBondContact O-CG 3.4Å; Q664-Q668 PolarHBondContact O-N 2.67Å; M665-Q668 PolarHBondContact O-N 3.45Å; Q668-I671 PolarHBondContact O-N 2.82Å; Q668-L672 WeakPolarHBondContact O-CB 3.47Å; Q668-L672 VanDerWaalsContact O-CG 3.25Å; Q668-L672 WeakPolarHBondContact O-CG 3.3Å; Q668-L672 PolarHBondContact O-N 3.35Å
669T93.3Very high89.5Confident0 Ų028 Ų280%014%0.136CC..Hα-helixtrans-61.7-45.8175.9-55.20000111.7L575 L616 I649 L653 F658 M665 K666 L667 L672 L673L575-T669 HydrophobicContact CD2-CG2 4.34Å; L616-T669 HydrophobicContact CD1-CG2 4.37Å; I649-T669 HydrophobicContact CG2-CG2 4.37Å; I649-T669 WeakPolarHBondContact CG2-OG1 3.35Å; L653-T669 HydrophobicContact CD1-CG2 4.41Å; F658-T669 HydrophobicContact CD2-CG2 4.39Å; F658-T669 HydrophobicContact CE2-CG2 3.77Å; F658-T669 HydrophobicContact CZ-CG2 4.32Å; M665-T669 PolarHBondContact O-N 2.73Å; M665-T669 PolarHBondContact O-OG1 2.9Å; K666-T669 PolarHBondContact O-N 3.28Å; L667-T669 VanDerWaalsContact C-N 3.29Å; L667-T669 PolarHBondContact O-N 3.28Å; T669-L672 PolarHBondContact O-N 2.94Å; T669-L673 HydrophobicContact CG2-CD1 4.38Å; T669-L673 WeakPolarHBondContact O-CG 3.06Å; T669-L673 PolarHBondContact O-N 2.87Å
670F93.5Very high89.2Confident0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-63.1-42.5175.6-71.7-63.9000112.2I533 F557 L571 M574 L575 F578 F658 K666 L667 L672 L673 M674I533-F670 HydrophobicContact CD1-CB 3.71Å; I533-F670 HydrophobicContact CD1-CD2 4.34Å; I533-F670 HydrophobicContact CD1-CG 4.35Å; I533-F670 HydrophobicContact CG1-CB 4.12Å; F557-F670 HydrophobicContact CE2-CD2 4.48Å; F557-F670 HydrophobicContact CE2-CE2 4.03Å; F557-F670 HydrophobicContact CE2-CZ 4.45Å; F557-F670 HydrophobicContact CZ-CD2 4.2Å; F557-F670 HydrophobicContact CZ-CE2 4.15Å; L571-F670 HydrophobicContact CD2-CE2 4.31Å; L571-F670 HydrophobicContact CD2-CZ 4.45Å; M574-F670 HydrophobicContact CB-CE1 3.78Å; M574-F670 HydrophobicContact CB-CZ 3.82Å; L575-F670 HydrophobicContact CD2-CD1 4.15Å; L575-F670 HydrophobicContact CD2-CE1 3.71Å; L575-F670 HydrophobicContact CD2-CZ 4.28Å; L575-F670 HydrophobicContact CG-CE1 4.08Å; L575-F670 HydrophobicContact CG-CZ 4.38Å; F578-F670 AromaticContact CD2-CD1 3.79Å; F578-F670 HydrophobicContact CD2-CD1 3.79Å; F578-F670 HydrophobicContact CD2-CE1 4.1Å; F578-F670 AromaticContact CE2-CD1 3.59Å; F578-F670 HydrophobicContact CE2-CD1 3.59Å; F578-F670 HydrophobicContact CE2-CE1 4.01Å; F578-F670 HydrophobicContact CZ-CD1 4.44Å; F658-F670 HydrophobicContact CE1-CE2 4.08Å; F658-F670 AromaticContact CE1-CZ 3.91Å; F658-F670 HydrophobicContact CE1-CZ 3.91Å; F658-F670 HydrophobicContact CZ-CD2 4.34Å; F658-F670 AromaticContact CZ-CE2 3.79Å; F658-F670 HydrophobicContact CZ-CE2 3.79Å; F658-F670 AromaticContact CZ-CZ 3.99Å; F658-F670 HydrophobicContact CZ-CZ 3.99Å; K666-F670 WeakPolarHBondContact O-CD2 3.44Å; K666-F670 PolarHBondContact O-N 3.12Å; L667-F670 PolarHBondContact O-N 2.64Å; F670-L672 PolarHBondContact O-N 3.46Å; F670-L673 PolarHBondContact O-N 2.98Å; F670-M674 VanDerWaalsContact O-CG 3.29Å; F670-M674 WeakPolarHBondContact O-CG 3.29Å; F670-M674 PolarHBondContact O-N 2.9Å
671I90.1Very high88.7Confident22 Ų2232 Ų3211%0.11315%0.151CC..Hα-helixtrans-62.6-41.1177.6-71.3169.4000111.8D529 I533 L667 Q668 M674 D675D529-I671 HydrophobicContact CB-CD1 3.65Å; D529-I671 WeakPolarHBondContact OD2-CD1 3.39Å; I533-I671 HydrophobicContact CG1-CG1 4.42Å; L667-I671 WeakPolarHBondContact O-CG1 3.42Å; L667-I671 PolarHBondContact O-N 3.17Å; Q668-I671 PolarHBondContact O-N 2.82Å; I671-M674 WeakPolarHBondContact O-CB 3.24Å; I671-M674 PolarHBondContact O-N 3.21Å; I671-D675 PolarHBondContact O-N 3.24Å
672L91Very high88.1Confident15 Ų1532.6 Ų32.68%0.07916%0.156CC..Hα-helixtrans-66.1-38176.2-70168.5000111.9L616 L646 I649 Q668 T669 F670 D675 L676L616-L672 HydrophobicContact CD1-CB 4.26Å; L616-L672 HydrophobicContact CD2-CB 3.7Å; L646-L672 HydrophobicContact CB-CD1 4.5Å; L646-L672 HydrophobicContact CB-CD2 4.43Å; L646-L672 HydrophobicContact CD1-CD1 3.99Å; L646-L672 HydrophobicContact CD1-CD2 4.27Å; I649-L672 HydrophobicContact CB-CD1 4.16Å; I649-L672 HydrophobicContact CG1-CD1 4.1Å; I649-L672 HydrophobicContact CG2-CD1 4.25Å; Q668-L672 WeakPolarHBondContact O-CB 3.47Å; Q668-L672 VanDerWaalsContact O-CG 3.25Å; Q668-L672 WeakPolarHBondContact O-CG 3.3Å; Q668-L672 PolarHBondContact O-N 3.35Å; T669-L672 PolarHBondContact O-N 2.94Å; F670-L672 PolarHBondContact O-N 3.46Å; L672-D675 PolarHBondContact O-N 3.32Å; L672-L676 WeakPolarHBondContact O-CB 3.44Å; L672-L676 PolarHBondContact O-N 2.83Å
673L92.4Very high87.5Confident0 Ų028.6 Ų28.60%014%0.135CC..Hα-helixtrans-68.6-34.6173.5-67.9172.6000112.6L575 F578 L579 L582 A612 L616 T669 F670 L677L575-L673 HydrophobicContact CD2-CD1 3.53Å; F578-L673 HydrophobicContact CB-CB 4.33Å; F578-L673 HydrophobicContact CB-CD1 4.43Å; L579-L673 HydrophobicContact CD2-CD2 4.29Å; L582-L673 HydrophobicContact CD1-CD2 3.82Å; A612-L673 HydrophobicContact CB-CD1 4.14Å; A612-L673 HydrophobicContact CB-CD2 4.24Å; L616-L673 HydrophobicContact CD1-CD2 4.36Å; L616-L673 HydrophobicContact CD2-CD2 4.05Å; L616-L673 HydrophobicContact CG-CD2 4.06Å; T669-L673 HydrophobicContact CG2-CD1 4.38Å; T669-L673 WeakPolarHBondContact O-CG 3.06Å; T669-L673 PolarHBondContact O-N 2.87Å; F670-L673 PolarHBondContact O-N 2.98Å; L673-L677 WeakPolarHBondContact O-CB 3.48Å; L673-L677 PolarHBondContact O-N 3.02Å
674M89.7Confident86.6Confident4 Ų428.9 Ų28.92%0.0214%0.142CC..Hα-helixtrans-65-45.6172.3-74.3166.146.200112I533 F536 F578 F670 I671 L677 L678I533-M674 HydrophobicContact CB-SD 4.18Å; I533-M674 HydrophobicContact CG1-SD 3.73Å; I533-M674 HydrophobicContact CG2-SD 4.43Å; F536-M674 HydrophobicContact CB-CE 3.5Å; F536-M674 HydrophobicContact CB-SD 4.07Å; F536-M674 HydrophobicContact CD1-CE 4.47Å; F536-M674 HydrophobicContact CD1-CG 3.75Å; F536-M674 HydrophobicContact CD1-SD 4.3Å; F536-M674 HydrophobicContact CD2-CB 4.38Å; F536-M674 HydrophobicContact CD2-CE 3.92Å; F536-M674 HydrophobicContact CD2-CG 4.23Å; F536-M674 HydrophobicContact CE1-CG 3.93Å; F536-M674 HydrophobicContact CE2-CB 4.29Å; F536-M674 HydrophobicContact CE2-CG 4.39Å; F536-M674 HydrophobicContact CG-CE 3.73Å; F536-M674 HydrophobicContact CG-CG 3.91Å; F536-M674 HydrophobicContact CG-SD 4.12Å; F536-M674 HydrophobicContact CZ-CB 4.37Å; F536-M674 HydrophobicContact CZ-CG 4.24Å; F578-M674 HydrophobicContact CD1-CG 4.18Å; F578-M674 HydrophobicContact CE1-CG 3.53Å; F578-M674 HydrophobicContact CE1-SD 4.33Å; F578-M674 HydrophobicContact CZ-CG 4.26Å; F670-M674 VanDerWaalsContact O-CG 3.29Å; F670-M674 WeakPolarHBondContact O-CG 3.29Å; F670-M674 PolarHBondContact O-N 2.9Å; I671-M674 WeakPolarHBondContact O-CB 3.24Å; I671-M674 PolarHBondContact O-N 3.21Å; M674-L677 WeakPolarHBondContact O-CB 3.37Å; M674-L677 PolarHBondContact O-N 3.13Å; M674-L678 WeakPolarHBondContact O-CG 3.47Å; M674-L678 PolarHBondContact O-N 3.43Å
675D83.5Confident85.9Confident18 Ų1829.4 Ų29.410%0.09615%0.147CC..Hα-helixtrans-60.5-44.5173.9171.461.9000111.6Q619 I671 L672 L677 L678 R679Q619-D675 PolarHBondContact NE2-OD2 2.97Å; I671-D675 PolarHBondContact O-N 3.24Å; L672-D675 PolarHBondContact O-N 3.32Å; D675-L677 VanDerWaalsContact C-N 3.32Å; D675-L677 PolarHBondContact O-N 2.91Å; D675-L678 PolarHBondContact O-N 3.07Å; D675-R679 VanDerWaalsContact CG-NE 3.29Å; D675-R679 WeakPolarHBondContact O-CG 3.37Å; D675-R679 PolarHBondContact O-N 3.14Å; D675-R679 IonicContact OD1-CZ 3.2Å; D675-R679 VanDerWaalsContact OD1-CZ 3.24Å; D675-R679 IonicContact OD1-NE 2.68Å; D675-R679 PolarHBondContact OD1-NE 3.03Å; D675-R679 IonicContact OD1-NH2 2.74Å; D675-R679 PolarHBondContact OD1-NH2 2.92Å; D675-R679 IonicContact OD2-CZ 3.78Å; D675-R679 VanDerWaalsContact OD2-CZ 3.23Å; D675-R679 IonicContact OD2-NE 2.71Å; D675-R679 PolarHBondContact OD2-NE 3.29Å; D675-R679 VanDerWaalsContact OD2-NE 3.13Å; D675-R679 IonicContact OD2-NH2 3.53Å; D675-R679 PolarHBondContact OD2-NH2 3.21Å
676L86.5Confident85.2Confident23 Ų2329.6 Ų29.612%0.1215%0.147CC..Hα-helixtrans-60.9-41174.8-173.760.1000111.9L582 L615 Q619 L672 R679 T680L582-L676 HydrophobicContact CD1-CD2 4.21Å; L582-L676 HydrophobicContact CD2-CB 4.15Å; L582-L676 HydrophobicContact CD2-CD2 3.93Å; L582-L676 HydrophobicContact CD2-CG 3.68Å; L615-L676 HydrophobicContact CB-CD2 3.89Å; Q619-L676 HydrophobicContact CB-CD1 4.28Å; Q619-L676 HydrophobicContact CG-CD1 4.39Å; L672-L676 WeakPolarHBondContact O-CB 3.44Å; L672-L676 PolarHBondContact O-N 2.83Å; L676-R679 PolarHBondContact O-N 3.32Å; L676-T680 WeakPolarHBondContact O-CG2 3.36Å; L676-T680 PolarHBondContact O-N 3.09Å
677L86.9Confident84Confident0 Ų031 Ų310%016%0.157CC..Hα-helixtrans-61.2-48.4174.8-90.1175.7000112F536 L544 F578 A581 L582 L673 M674 D675 R679 T680 V683F536-L677 HydrophobicContact CE1-CD1 3.82Å; F536-L677 HydrophobicContact CZ-CB 4.08Å; F536-L677 HydrophobicContact CZ-CD1 3.84Å; L544-L677 HydrophobicContact CD2-CD1 4.01Å; F578-L677 HydrophobicContact CB-CD1 4.47Å; F578-L677 HydrophobicContact CD1-CD1 3.71Å; A581-L677 HydrophobicContact CB-CD1 4.33Å; A581-L677 HydrophobicContact CB-CD2 3.69Å; L582-L677 HydrophobicContact CB-CD2 4.39Å; L582-L677 HydrophobicContact CD1-CG 4.48Å; L582-L677 HydrophobicContact CD2-CB 4.33Å; L582-L677 HydrophobicContact CD2-CD2 3.67Å; L582-L677 HydrophobicContact CD2-CG 3.71Å; L582-L677 HydrophobicContact CG-CD2 3.63Å; L582-L677 HydrophobicContact CG-CG 3.75Å; L673-L677 WeakPolarHBondContact O-CB 3.48Å; L673-L677 PolarHBondContact O-N 3.02Å; M674-L677 WeakPolarHBondContact O-CB 3.37Å; M674-L677 PolarHBondContact O-N 3.13Å; D675-L677 VanDerWaalsContact C-N 3.32Å; D675-L677 PolarHBondContact O-N 2.91Å; L677-R679 PolarHBondContact O-N 3.18Å; L677-R679 VanDerWaalsContact O-N 3.15Å; L677-T680 WeakPolarHBondContact O-CB 3.32Å; L677-T680 PolarHBondContact O-N 3.32Å; L677-T680 PolarHBondContact O-OG1 3.46Å; L677-V683 HydrophobicContact CB-CG2 4.33Å; L677-V683 WeakPolarHBondContact O-CG2 3.28Å
678L81.9Confident83.1Confident51 Ų5133.1 Ų33.127%0.26717%0.166SC..Hα-helixtrans-58.6-28-179-72.8168000112.4F536 F540 M674 D675 V683 F796F536-L678 HydrophobicContact CE2-CD1 4.29Å; F536-L678 HydrophobicContact CE2-CD2 3.88Å; F536-L678 HydrophobicContact CE2-CG 3.89Å; F540-L678 HydrophobicContact CE2-CD2 4.24Å; F540-L678 HydrophobicContact CZ-CD2 4.03Å; M674-L678 WeakPolarHBondContact O-CG 3.47Å; M674-L678 PolarHBondContact O-N 3.43Å; D675-L678 PolarHBondContact O-N 3.07Å; L678-V683 HydrophobicContact CD2-CG1 4.2Å; L678-F796 HydrophobicContact CD1-CE2 3.71Å; L678-F796 HydrophobicContact CD1-CZ 3.77Å
679R78.5Confident82.3Confident99 Ų9938.1 Ų38.137%0.37419%0.188SC..THydrogen-bonded Turntrans-82.8-6.5175.7-62.7167.2-168.4-136.87.1114.2Y623 D675 L676 L677Y623-R679 PolarHBondContact OH-NH1 3.19Å; Y623-R679 PolarHBondContact OH-NH2 2.87Å; D675-R679 VanDerWaalsContact CG-NE 3.29Å; D675-R679 WeakPolarHBondContact O-CG 3.37Å; D675-R679 PolarHBondContact O-N 3.14Å; D675-R679 IonicContact OD1-CZ 3.2Å; D675-R679 VanDerWaalsContact OD1-CZ 3.24Å; D675-R679 IonicContact OD1-NE 2.68Å; D675-R679 PolarHBondContact OD1-NE 3.03Å; D675-R679 IonicContact OD1-NH2 2.74Å; D675-R679 PolarHBondContact OD1-NH2 2.92Å; D675-R679 IonicContact OD2-CZ 3.78Å; D675-R679 VanDerWaalsContact OD2-CZ 3.23Å; D675-R679 IonicContact OD2-NE 2.71Å; D675-R679 PolarHBondContact OD2-NE 3.29Å; D675-R679 VanDerWaalsContact OD2-NE 3.13Å; D675-R679 IonicContact OD2-NH2 3.53Å; D675-R679 PolarHBondContact OD2-NH2 3.21Å; L676-R679 PolarHBondContact O-N 3.32Å; L677-R679 PolarHBondContact O-N 3.18Å; L677-R679 VanDerWaalsContact O-N 3.15Å
680T81.3Confident80.9Confident11 Ų1142.1 Ų42.17%0.06721%0.209CC..SBendtrans-75.1152.1176.6660000112.2L582 D585 I588 L676 L677 T682 V683 G684L582-T680 HydrophobicContact CD2-CG2 4.02Å; D585-T680 HydrophobicContact CB-CG2 3.84Å; D585-T680 WeakPolarHBondContact OD2-CB 3.45Å; I588-T680 HydrophobicContact CD1-CG2 3.73Å; L676-T680 WeakPolarHBondContact O-CG2 3.36Å; L676-T680 PolarHBondContact O-N 3.09Å; L677-T680 WeakPolarHBondContact O-CB 3.32Å; L677-T680 PolarHBondContact O-N 3.32Å; L677-T680 PolarHBondContact O-OG1 3.46Å; T680-T682 PolarHBondContact O-N 3.28Å; T680-V683 PolarHBondContact O-N 2.91Å; T680-V683 PolarHBondContact OG1-N 3.22Å; T680-V683 VanDerWaalsContact OG1-N 3.14Å; T680-G684 PolarHBondContact O-N 2.96Å
681K80.8Confident79.5Confident159 Ų15944.2 Ų44.269%0.69122%0.219SC*.Hα-helixtrans-68.2-26.4167.9-66.3-174.1177.4-174.10111.3D585 V683 G684 L685D585-K681 PolarHBondContact OD2-N 3.38Å; K681-V683 PolarHBondContact O-N 3.05Å; K681-G684 PolarHBondContact O-N 3.01Å; K681-G684 VanDerWaalsContact O-N 3.17Å; K681-L685 WeakPolarHBondContact O-CG 3.32Å; K681-L685 PolarHBondContact O-N 3.05Å
682T78.3Confident78.5Confident22 Ų2244.3 Ų44.314%0.13522%0.218CC..Hα-helixtrans-57.9-46175.6-47.40000111.9L543 K584 D585 T680 L685 F686L543-T682 HydrophobicContact CD1-CG2 3.55Å; K584-T682 HydrophobicContact CB-CG2 3.93Å; D585-T682 WeakPolarHBondContact CA-OG1 3.48Å; D585-T682 VanDerWaalsContact CB-OG1 3.3Å; D585-T682 WeakPolarHBondContact CB-OG1 3.19Å; D585-T682 PolarHBondContact N-OG1 3.39Å; T680-T682 PolarHBondContact O-N 3.28Å; T682-L685 PolarHBondContact O-N 3.2Å; T682-F686 WeakPolarHBondContact O-CB 3.46Å; T682-F686 PolarHBondContact O-N 2.66Å
683V78.1Confident77.3Confident6 Ų647.3 Ų47.34%0.03624%0.235CC..Hα-helixtrans-66-39.2174168.40000111.6F540 L543 L677 L678 T680 K681 F686 T687F540-V683 HydrophobicContact CE1-CG1 3.84Å; F540-V683 HydrophobicContact CZ-CG1 4.27Å; L543-V683 HydrophobicContact CD2-CG2 3.58Å; L677-V683 HydrophobicContact CB-CG2 4.33Å; L677-V683 WeakPolarHBondContact O-CG2 3.28Å; L678-V683 HydrophobicContact CD2-CG1 4.2Å; T680-V683 PolarHBondContact O-N 2.91Å; T680-V683 PolarHBondContact OG1-N 3.22Å; T680-V683 VanDerWaalsContact OG1-N 3.14Å; K681-V683 PolarHBondContact O-N 3.05Å; V683-F686 PolarHBondContact O-N 2.79Å; V683-T687 HydrophobicContact CG1-CG2 4.16Å; V683-T687 WeakPolarHBondContact O-CB 3.24Å; V683-T687 WeakPolarHBondContact O-CG2 3.36Å; V683-T687 PolarHBondContact O-N 3.4Å; V683-T687 PolarHBondContact O-OG1 3.29Å
684G73.5Confident75.5Confident27 Ų2751 Ų5128%0.27825%0.251SS..Hα-helixtrans-58.6-47.2173.900000112.9T680 K681 T687 Q688T680-G684 PolarHBondContact O-N 2.96Å; K681-G684 PolarHBondContact O-N 3.01Å; K681-G684 VanDerWaalsContact O-N 3.17Å; G684-T687 PolarHBondContact O-OG1 3.07Å; G684-T687 VanDerWaalsContact O-OG1 3.05Å; G684-Q688 WeakPolarHBondContact O-CB 3.45Å; G684-Q688 PolarHBondContact O-N 3.34Å
685L75.9Confident74.2Confident111 Ų11154 Ų5458%0.58126%0.264SS*.Hα-helixtrans-67.1-36.9176.5-68.8171.9000112.3K681 T682 K689K681-L685 WeakPolarHBondContact O-CG 3.32Å; K681-L685 PolarHBondContact O-N 3.05Å; T682-L685 PolarHBondContact O-N 3.2Å; L685-K689 VanDerWaalsContact O-CB 3.3Å; L685-K689 WeakPolarHBondContact O-CB 3.44Å; L685-K689 PolarHBondContact O-N 3.01Å
686F75.5Confident73.3Confident29 Ų2955.9 Ų55.913%0.12727%0.274CS..Hα-helixtrans-67.4-47.7176.3176.8-102.6000112.2F540 G542 L543 T682 V683 Q688 K689 L690F540-F686 AromaticContact CD1-CD1 3.66Å; F540-F686 HydrophobicContact CD1-CD1 3.66Å; F540-F686 AromaticContact CD1-CE1 3.63Å; F540-F686 HydrophobicContact CD1-CE1 3.63Å; F540-F686 HydrophobicContact CE1-CD1 4.02Å; F540-F686 HydrophobicContact CE1-CE1 4.23Å; G542-F686 VanDerWaalsContact C-CE2 3.41Å; L543-F686 HydrophobicContact CB-CD1 4.16Å; L543-F686 HydrophobicContact CB-CD2 3.91Å; L543-F686 HydrophobicContact CB-CE1 4.26Å; L543-F686 HydrophobicContact CB-CE2 4.04Å; L543-F686 HydrophobicContact CB-CG 3.97Å; L543-F686 HydrophobicContact CB-CZ 4.21Å; L543-F686 HydrophobicContact CD2-CB 4.36Å; L543-F686 HydrophobicContact CD2-CD1 4.45Å; L543-F686 HydrophobicContact CD2-CG 4.4Å; T682-F686 WeakPolarHBondContact O-CB 3.46Å; T682-F686 PolarHBondContact O-N 2.66Å; V683-F686 PolarHBondContact O-N 2.79Å; F686-Q688 VanDerWaalsContact C-N 3.32Å; F686-Q688 PolarHBondContact O-N 3.3Å; F686-K689 PolarHBondContact O-N 3.03Å; F686-L690 HydrophobicContact CD1-CD1 4.02Å; F686-L690 HydrophobicContact CE1-CD1 3.45Å; F686-L690 VanDerWaalsContact CE1-CD1 3.45Å; F686-L690 HydrophobicContact CE1-CG 4.2Å; F686-L690 HydrophobicContact CE2-CG 4.49Å; F686-L690 HydrophobicContact CZ-CD1 3.74Å; F686-L690 HydrophobicContact CZ-CD2 4.42Å; F686-L690 HydrophobicContact CZ-CG 4.16Å; F686-L690 WeakPolarHBondContact O-CG 3.07Å; F686-L690 PolarHBondContact O-N 3.13Å
687T69.8Low71.7Confident33 Ų3357.6 Ų57.620%0.20229%0.291CS..Hα-helixtrans-65.8-36.8177.252.80000111.5F540 V683 G684 L690 Q691F540-T687 HydrophobicContact CE1-CG2 3.91Å; F540-T687 HydrophobicContact CZ-CG2 4.4Å; V683-T687 HydrophobicContact CG1-CG2 4.16Å; V683-T687 WeakPolarHBondContact O-CB 3.24Å; V683-T687 WeakPolarHBondContact O-CG2 3.36Å; V683-T687 PolarHBondContact O-N 3.4Å; V683-T687 PolarHBondContact O-OG1 3.29Å; G684-T687 PolarHBondContact O-OG1 3.07Å; G684-T687 VanDerWaalsContact O-OG1 3.05Å; T687-L690 PolarHBondContact O-N 2.75Å; T687-Q691 WeakPolarHBondContact O-CB 3.45Å; T687-Q691 PolarHBondContact O-N 3.11Å
688Q72.1Confident70Confident44 Ų4459.5 Ų59.521%0.20631%0.305CS..Hα-helixtrans-63.4-45.7171.2175.9172.5-4.100112.5G15 G684 F686 L690 Q691 E692G15-Q688 VanDerWaalsContact C-NE2 3.3Å; G15-Q688 PolarHBondContact O-NE2 3.05Å; G684-Q688 WeakPolarHBondContact O-CB 3.45Å; G684-Q688 PolarHBondContact O-N 3.34Å; F686-Q688 VanDerWaalsContact C-N 3.32Å; F686-Q688 PolarHBondContact O-N 3.3Å; Q688-L690 VanDerWaalsContact C-N 3.33Å; Q688-L690 PolarHBondContact O-N 3.26Å; Q688-Q691 CarbonylContact O-C 3.54Å; Q688-Q691 WeakPolarHBondContact O-CA 3.31Å; Q688-Q691 VanDerWaalsContact O-CB 3.3Å; Q688-Q691 WeakPolarHBondContact O-CB 3.36Å; Q688-Q691 PolarHBondContact O-N 2.82Å; Q688-E692 VanDerWaalsContact CG-OE1 3.27Å; Q688-E692 WeakPolarHBondContact CG-OE1 3.39Å; Q688-E692 PolarHBondContact NE2-OE1 3.3Å; Q688-E692 WeakPolarHBondContact O-CG 3.4Å; Q688-E692 PolarHBondContact O-N 3.15Å
689K74.7Confident68.9Low127 Ų12761.4 Ų61.455%0.55232%0.315SS*.Hα-helixtrans-59.2-45.3174.5-177-174.2172.2-1710110.8L685 F686 Q691 E692 D693L685-K689 VanDerWaalsContact O-CB 3.3Å; L685-K689 WeakPolarHBondContact O-CB 3.44Å; L685-K689 PolarHBondContact O-N 3.01Å; F686-K689 PolarHBondContact O-N 3.03Å; K689-Q691 VanDerWaalsContact C-N 3.25Å; K689-Q691 PolarHBondContact O-N 3.03Å; K689-E692 CarbonylContact O-C 3.53Å; K689-E692 PolarHBondContact O-N 3.48Å; K689-E692 VanDerWaalsContact O-N 3.1Å; K689-D693 WeakPolarHBondContact CE-OD2 2.73Å; K689-D693 WeakPolarHBondContact O-CB 3.45Å; K689-D693 PolarHBondContact O-N 2.97Å
690L65.6Low67.7Low84 Ų8463.4 Ų63.444%0.4433%0.328SS..Hα-helixtrans-58.5-37.8172.9-71.3177.8000111.9F686 T687 Q688 F694F686-L690 HydrophobicContact CD1-CD1 4.02Å; F686-L690 HydrophobicContact CE1-CD1 3.45Å; F686-L690 VanDerWaalsContact CE1-CD1 3.45Å; F686-L690 HydrophobicContact CE1-CG 4.2Å; F686-L690 HydrophobicContact CE2-CG 4.49Å; F686-L690 HydrophobicContact CZ-CD1 3.74Å; F686-L690 HydrophobicContact CZ-CD2 4.42Å; F686-L690 HydrophobicContact CZ-CG 4.16Å; F686-L690 WeakPolarHBondContact O-CG 3.07Å; F686-L690 PolarHBondContact O-N 3.13Å; T687-L690 PolarHBondContact O-N 2.75Å; Q688-L690 VanDerWaalsContact C-N 3.33Å; Q688-L690 PolarHBondContact O-N 3.26Å; L690-F694 WeakPolarHBondContact O-CB 3.48Å; L690-F694 PolarHBondContact O-N 2.79Å
691Q63.3Low66.1Low44 Ų4465.3 Ų65.321%0.20634%0.336CS..Hα-helixtrans-68.3-36174.9-159.6-160.535.400112.5T687 Q688 K689 K695T687-Q691 WeakPolarHBondContact O-CB 3.45Å; T687-Q691 PolarHBondContact O-N 3.11Å; Q688-Q691 CarbonylContact O-C 3.54Å; Q688-Q691 WeakPolarHBondContact O-CA 3.31Å; Q688-Q691 VanDerWaalsContact O-CB 3.3Å; Q688-Q691 WeakPolarHBondContact O-CB 3.36Å; Q688-Q691 PolarHBondContact O-N 2.82Å; K689-Q691 VanDerWaalsContact C-N 3.25Å; K689-Q691 PolarHBondContact O-N 3.03Å; Q691-K695 VanDerWaalsContact CD-NZ 3.28Å; Q691-K695 WeakPolarHBondContact O-CB 3.5Å; Q691-K695 WeakPolarHBondContact O-CD 3.33Å; Q691-K695 WeakPolarHBondContact O-CG 3.37Å; Q691-K695 PolarHBondContact O-N 3.1Å
692E69.2Low64.6Low23 Ų2363.6 Ų63.611%0.10733%0.33CS..Hα-helixtrans-73.4-46.3176.2-73.6176.9-14800111.5S16 Q688 K689 F694 K695 N696S16-E692 WeakPolarHBondContact CA-OE1 3.4Å; S16-E692 WeakPolarHBondContact CB-OE1 3.48Å; Q688-E692 VanDerWaalsContact CG-OE1 3.27Å; Q688-E692 WeakPolarHBondContact CG-OE1 3.39Å; Q688-E692 PolarHBondContact NE2-OE1 3.3Å; Q688-E692 WeakPolarHBondContact O-CG 3.4Å; Q688-E692 PolarHBondContact O-N 3.15Å; K689-E692 CarbonylContact O-C 3.53Å; K689-E692 PolarHBondContact O-N 3.48Å; K689-E692 VanDerWaalsContact O-N 3.1Å; E692-F694 PolarHBondContact O-N 2.94Å; E692-K695 CarbonylContact O-C 3.59Å; E692-K695 WeakPolarHBondContact O-CB 3.2Å; E692-K695 PolarHBondContact O-N 3.09Å; E692-N696 VanDerWaalsContact O-CB 3.3Å; E692-N696 WeakPolarHBondContact O-CB 3.09Å; E692-N696 PolarHBondContact O-N 3.26Å; E692-N696 PolarHBondContact O-ND2 3.42Å
693D65.6Low63.1Low79 Ų7969.5 Ų69.542%0.42236%0.356SS..Hα-helixtrans-57.9-37.8171.6-70.9-23000110.8K689 A697K689-D693 WeakPolarHBondContact CE-OD2 2.73Å; K689-D693 WeakPolarHBondContact O-CB 3.45Å; K689-D693 PolarHBondContact O-N 2.97Å; D693-A697 WeakPolarHBondContact O-CB 3.4Å; D693-A697 PolarHBondContact O-N 2.95Å
694F54.5Low61.8Low77 Ų7771.1 Ų71.134%0.33837%0.37SS..Hα-helixtrans-69-38.6173.3178.4-91.4000113.3L690 E692 S698 F719 K723L690-F694 WeakPolarHBondContact O-CB 3.48Å; L690-F694 PolarHBondContact O-N 2.79Å; E692-F694 PolarHBondContact O-N 2.94Å; F694-S698 VanDerWaalsContact O-CB 3.3Å; F694-S698 WeakPolarHBondContact O-CB 3.46Å; F694-S698 PolarHBondContact O-N 3.11Å; F694-S698 PolarHBondContact O-OG 3.03Å; F694-F719 AromaticContact CD1-CE2 3.98Å; F694-F719 HydrophobicContact CD1-CE2 3.98Å; F694-F719 HydrophobicContact CD1-CZ 4.33Å; F694-F719 HydrophobicContact CD2-CD2 4.02Å; F694-F719 AromaticContact CD2-CE2 3.67Å; F694-F719 HydrophobicContact CD2-CE2 3.67Å; F694-F719 HydrophobicContact CD2-CZ 4.4Å; F694-F719 AromaticContact CE1-CE2 3.54Å; F694-F719 HydrophobicContact CE1-CE2 3.54Å; F694-F719 AromaticContact CE1-CZ 3.45Å; F694-F719 HydrophobicContact CE1-CZ 3.45Å; F694-F719 VanDerWaalsContact CE1-CZ 3.45Å; F694-F719 AromaticContact CE2-CD2 3.61Å; F694-F719 HydrophobicContact CE2-CD2 3.61Å; F694-F719 HydrophobicContact CE2-CE1 4.2Å; F694-F719 AromaticContact CE2-CE2 3.19Å; F694-F719 HydrophobicContact CE2-CE2 3.19Å; F694-F719 HydrophobicContact CE2-CG 4.29Å; F694-F719 AromaticContact CE2-CZ 3.55Å; F694-F719 HydrophobicContact CE2-CZ 3.55Å; F694-F719 HydrophobicContact CG-CE2 4.06Å; F694-F719 HydrophobicContact CZ-CD2 4.01Å; F694-F719 AromaticContact CZ-CE1 3.76Å; F694-F719 HydrophobicContact CZ-CE1 3.76Å; F694-F719 AromaticContact CZ-CE2 3.15Å; F694-F719 HydrophobicContact CZ-CE2 3.15Å; F694-F719 AromaticContact CZ-CZ 3.01Å; F694-F719 HydrophobicContact CZ-CZ 3.01Å; F694-K723 HydrophobicContact CE2-CB 4.48Å
695K62.4Low60.6Low67 Ų6773 Ų7329%0.29137%0.372SS..Hα-helixtrans-67.3-42.6172.2-75.8161.6-175.8162.40111.1Q691 E692 S698 L699Q691-K695 VanDerWaalsContact CD-NZ 3.28Å; Q691-K695 WeakPolarHBondContact O-CB 3.5Å; Q691-K695 WeakPolarHBondContact O-CD 3.33Å; Q691-K695 WeakPolarHBondContact O-CG 3.37Å; Q691-K695 PolarHBondContact O-N 3.1Å; E692-K695 CarbonylContact O-C 3.59Å; E692-K695 WeakPolarHBondContact O-CB 3.2Å; E692-K695 PolarHBondContact O-N 3.09Å; K695-S698 CarbonylContact O-C 3.48Å; K695-S698 WeakPolarHBondContact O-CA 3.3Å; K695-S698 WeakPolarHBondContact O-CB 2.99Å; K695-S698 PolarHBondContact O-N 2.8Å; K695-L699 WeakPolarHBondContact O-CB 3.47Å; K695-L699 WeakPolarHBondContact O-CG 3.2Å; K695-L699 PolarHBondContact O-N 3.49Å
696N64.6Low59.1Low57 Ų5773.8 Ų73.831%0.30538%0.381SS..Hα-helixtrans-67.7-48.2179.4-68.2-20.1000110.5E692 S698 L699 E700E692-N696 VanDerWaalsContact O-CB 3.3Å; E692-N696 WeakPolarHBondContact O-CB 3.09Å; E692-N696 PolarHBondContact O-N 3.26Å; E692-N696 PolarHBondContact O-ND2 3.42Å; N696-S698 PolarHBondContact O-N 2.77Å; N696-L699 CarbonylContact O-C 3.57Å; N696-L699 WeakPolarHBondContact O-CA 3.38Å; N696-L699 PolarHBondContact O-N 3.18Å; N696-E700 WeakPolarHBondContact O-CB 3.33Å; N696-E700 WeakPolarHBondContact O-CG 3.35Å; N696-E700 PolarHBondContact O-N 3.13Å
697A53.3Low57.8Low59 Ų5981.4 Ų81.449%0.48841%0.414SS..Hα-helixtrans-59.7-29.317100000112.5D693 K701D693-A697 WeakPolarHBondContact O-CB 3.4Å; D693-A697 PolarHBondContact O-N 2.95Å; A697-K701 WeakPolarHBondContact O-CB 3.47Å; A697-K701 PolarHBondContact O-N 3.08Å
698S50.4Low57Low41 Ų4183.1 Ų83.129%0.28742%0.421SS..Hα-helixtrans-74.7-34.3171.5-60.50000113.1F694 K695 N696 H702 F719F694-S698 VanDerWaalsContact O-CB 3.3Å; F694-S698 WeakPolarHBondContact O-CB 3.46Å; F694-S698 PolarHBondContact O-N 3.11Å; F694-S698 PolarHBondContact O-OG 3.03Å; K695-S698 CarbonylContact O-C 3.48Å; K695-S698 WeakPolarHBondContact O-CA 3.3Å; K695-S698 WeakPolarHBondContact O-CB 2.99Å; K695-S698 PolarHBondContact O-N 2.8Å; N696-S698 PolarHBondContact O-N 2.77Å; S698-H702 VanDerWaalsContact O-CB 3.31Å; S698-H702 WeakPolarHBondContact O-CB 3.4Å; S698-H702 PolarHBondContact O-N 2.67Å; S698-F719 WeakPolarHBondContact OG-CE2 3.33Å
699L59.4Low55.9Low91 Ų9188.8 Ų88.848%0.47645%0.446SS..Hα-helixtrans-77.3-48178.4-80.7160.3000112.3K695 N696 K701 H702 E703K695-L699 WeakPolarHBondContact O-CB 3.47Å; K695-L699 WeakPolarHBondContact O-CG 3.2Å; K695-L699 PolarHBondContact O-N 3.49Å; N696-L699 CarbonylContact O-C 3.57Å; N696-L699 WeakPolarHBondContact O-CA 3.38Å; N696-L699 PolarHBondContact O-N 3.18Å; L699-K701 PolarHBondContact O-N 3.3Å; L699-H702 CarbonylContact O-C 3.5Å; L699-H702 WeakPolarHBondContact O-CA 3.37Å; L699-H702 VanDerWaalsContact O-CB 3.29Å; L699-H702 WeakPolarHBondContact O-CB 3.09Å; L699-H702 PolarHBondContact O-N 3.03Å; L699-E703 WeakPolarHBondContact O-CG 3.47Å; L699-E703 PolarHBondContact O-N 3.33Å
700E54.1Low54.7Low140 Ų14089.6 Ų89.665%0.65446%0.456SS*.Hα-helixtrans-57.2-40.7171.5-70.9-177178.100111N696 E703 A704N696-E700 WeakPolarHBondContact O-CB 3.33Å; N696-E700 WeakPolarHBondContact O-CG 3.35Å; N696-E700 PolarHBondContact O-N 3.13Å; E700-E703 PolarHBondContact O-N 3.16Å; E700-A704 VanDerWaalsContact O-CB 3.31Å; E700-A704 WeakPolarHBondContact O-CB 3.35Å; E700-A704 PolarHBondContact O-N 3.24Å
701K47.4Very low53.6Low52 Ų5292.2 Ų92.223%0.22646%0.464CS..Hα-helixtrans-58-55.9168.5179.5-176174-173.30109.9A697 L699 E703 A704 E705 L712 A715A697-K701 WeakPolarHBondContact O-CB 3.47Å; A697-K701 PolarHBondContact O-N 3.08Å; L699-K701 PolarHBondContact O-N 3.3Å; K701-E703 VanDerWaalsContact C-N 3.27Å; K701-E703 PolarHBondContact O-N 2.81Å; K701-A704 CarbonylContact O-C 3.58Å; K701-A704 PolarHBondContact O-N 3Å; K701-A704 VanDerWaalsContact O-N 3.07Å; K701-E705 WeakPolarHBondContact O-CG 3.4Å; K701-E705 PolarHBondContact O-N 3.03Å; K701-L712 HydrophobicContact CG-CG 4.5Å; K701-A715 HydrophobicContact CD-CB 4.28Å
702H48.3Very low52.6Low123 Ų12391.5 Ų91.557%0.56946%0.461SS*.Hα-helixtrans-51.2-39.8178.6-168.2-101.7000113.4S698 L699 E705S698-H702 VanDerWaalsContact O-CB 3.31Å; S698-H702 WeakPolarHBondContact O-CB 3.4Å; S698-H702 PolarHBondContact O-N 2.67Å; L699-H702 CarbonylContact O-C 3.5Å; L699-H702 WeakPolarHBondContact O-CA 3.37Å; L699-H702 VanDerWaalsContact O-CB 3.29Å; L699-H702 WeakPolarHBondContact O-CB 3.09Å; L699-H702 PolarHBondContact O-N 3.03Å; H702-E705 WeakPolarHBondContact O-CB 3.32Å; H702-E705 WeakPolarHBondContact O-CG 3.4Å; H702-E705 PolarHBondContact O-N 2.96Å
703E47.9Very low51.5Low146 Ų14699 Ų9968%0.68249%0.488SS*.Hα-helixtrans-79.1-30.3-179.7-68.6179.9176.800112.5L699 E700 K701 E705L699-E703 WeakPolarHBondContact O-CG 3.47Å; L699-E703 PolarHBondContact O-N 3.33Å; E700-E703 PolarHBondContact O-N 3.16Å; K701-E703 VanDerWaalsContact C-N 3.27Å; K701-E703 PolarHBondContact O-N 2.81Å; E703-E705 VanDerWaalsContact C-N 3.33Å
704A50.2Low50.6Low40 Ų40101 Ų10133%0.33150%0.495SS..Hα-helixtrans-74.9-14.8169.500000114E700 K701 T706 K707 L708E700-A704 VanDerWaalsContact O-CB 3.31Å; E700-A704 WeakPolarHBondContact O-CB 3.35Å; E700-A704 PolarHBondContact O-N 3.24Å; K701-A704 CarbonylContact O-C 3.58Å; K701-A704 PolarHBondContact O-N 3Å; K701-A704 VanDerWaalsContact O-N 3.07Å; A704-T706 VanDerWaalsContact C-N 3.27Å; A704-T706 PolarHBondContact O-N 2.97Å; A704-K707 PolarHBondContact O-N 3.38Å; A704-K707 VanDerWaalsContact O-N 3.1Å; A704-L708 PolarHBondContact O-N 3.3Å
705E48Very low50.1Low67 Ų6799 Ų9931%0.31349%0.493SS..THydrogen-bonded Turntrans-63.2-26.5-170.4-60.3-155.4149.400114.9K701 H702 E703 K707 L712K701-E705 WeakPolarHBondContact O-CG 3.4Å; K701-E705 PolarHBondContact O-N 3.03Å; H702-E705 WeakPolarHBondContact O-CB 3.32Å; H702-E705 WeakPolarHBondContact O-CG 3.4Å; H702-E705 PolarHBondContact O-N 2.96Å; E703-E705 VanDerWaalsContact C-N 3.33Å; E705-K707 PolarHBondContact O-N 3.31Å; E705-L712 HydrophobicContact CB-CD1 4.27Å; E705-L712 HydrophobicContact CB-CD2 3.68Å; E705-L712 HydrophobicContact CB-CG 4.31Å; E705-L712 HydrophobicContact CG-CD1 3.87Å; E705-L712 HydrophobicContact CG-CD2 3.38Å; E705-L712 HydrophobicContact CG-CG 3.65Å; E705-L712 WeakPolarHBondContact OE1-CD2 3.34Å; E705-L712 VanDerWaalsContact OE1-CG 3.29Å; E705-L712 WeakPolarHBondContact OE1-CG 3.33Å
706T44.2Very low49.3Very low126 Ų12697 Ų9777%0.77349%0.491SS*.THydrogen-bonded Turntrans-66.4-18.2177.759.50000113.5A704A704-T706 VanDerWaalsContact C-N 3.27Å; A704-T706 PolarHBondContact O-N 2.97Å
707K49.2Very low48.6Very low189 Ų189101 Ų10182%0.82251%0.506SS*.THydrogen-bonded Turntrans-119.7-5.3-174.9-66.8175-176.8169.20114.8A704 E705A704-K707 PolarHBondContact O-N 3.38Å; A704-K707 VanDerWaalsContact O-N 3.1Å; E705-K707 PolarHBondContact O-N 3.31Å
708L51.7Low48.5Very low69 Ų69103.1 Ų103.136%0.36151%0.505SS..  trans-141.927.7-158.4-146.563.9000117.3A704 N710 K711 L712A704-L708 PolarHBondContact O-N 3.3Å; L708-N710 PolarHBondContact O-N 3.09Å; L708-K711 HydrophobicContact CD1-CD 4.25Å; L708-K711 HydrophobicContact CD1-CG 4.33Å; L708-K711 HydrophobicContact CD2-CB 4.04Å; L708-K711 HydrophobicContact CD2-CD 3.8Å; L708-K711 HydrophobicContact CD2-CG 4.14Å; L708-K711 HydrophobicContact CG-CB 3.94Å; L708-K711 HydrophobicContact CG-CD 4Å; L708-K711 HydrophobicContact CG-CG 3.88Å; L708-K711 PolarHBondContact O-N 3.48Å; L708-L712 HydrophobicContact CB-CD1 4.18Å; L708-L712 VanDerWaalsContact O-CD1 3.29Å; L708-L712 WeakPolarHBondContact O-CD1 3.46Å
709K50.3Low48.1Very low164 Ų164104.6 Ų104.671%0.71351%0.507SS*.Hα-helixtrans-45.9-26.2-167.1-148.1174.5-169.2176.30118.3
710N48.3Very low47.7Very low144 Ų144107.2 Ų107.277%0.7751%0.514SS*.Hα-helixtrans-82.2-36.6176.8-74.9-9.3000113.7L708 L712 R713L708-N710 PolarHBondContact O-N 3.09Å; N710-L712 VanDerWaalsContact C-N 3.31Å; N710-L712 PolarHBondContact O-N 3.45Å; N710-R713 PolarHBondContact O-N 3.41Å
711K43.6Very low47.8Very low139 Ų139103.1 Ų103.160%0.60449%0.493SS*.Hα-helixtrans-69.8-30.6178-59.1-160.3-164.6174.70111.7L708 R713 Q714 A715L708-K711 HydrophobicContact CD1-CD 4.25Å; L708-K711 HydrophobicContact CD1-CG 4.33Å; L708-K711 HydrophobicContact CD2-CB 4.04Å; L708-K711 HydrophobicContact CD2-CD 3.8Å; L708-K711 HydrophobicContact CD2-CG 4.14Å; L708-K711 HydrophobicContact CG-CB 3.94Å; L708-K711 HydrophobicContact CG-CD 4Å; L708-K711 HydrophobicContact CG-CG 3.88Å; L708-K711 PolarHBondContact O-N 3.48Å; K711-R713 VanDerWaalsContact C-N 3.26Å; K711-R713 PolarHBondContact O-N 3.43Å; K711-Q714 WeakPolarHBondContact O-CB 3.3Å; K711-Q714 PolarHBondContact O-N 3.07Å; K711-A715 PolarHBondContact O-N 3.26Å
712L41.2Very low47.8Very low29 Ų29103.1 Ų103.115%0.15250%0.502CS..Hα-helixtrans-52.9-42171.6-85.961.3000113.2K701 E705 L708 N710 Q714 G716K701-L712 HydrophobicContact CG-CG 4.5Å; E705-L712 HydrophobicContact CB-CD1 4.27Å; E705-L712 HydrophobicContact CB-CD2 3.68Å; E705-L712 HydrophobicContact CB-CG 4.31Å; E705-L712 HydrophobicContact CG-CD1 3.87Å; E705-L712 HydrophobicContact CG-CD2 3.38Å; E705-L712 HydrophobicContact CG-CG 3.65Å; E705-L712 WeakPolarHBondContact OE1-CD2 3.34Å; E705-L712 VanDerWaalsContact OE1-CG 3.29Å; E705-L712 WeakPolarHBondContact OE1-CG 3.33Å; L708-L712 HydrophobicContact CB-CD1 4.18Å; L708-L712 VanDerWaalsContact O-CD1 3.29Å; L708-L712 WeakPolarHBondContact O-CD1 3.46Å; N710-L712 VanDerWaalsContact C-N 3.31Å; N710-L712 PolarHBondContact O-N 3.45Å; L712-Q714 PolarHBondContact O-N 3.48Å; L712-G716 PolarHBondContact O-N 2.98Å
713R48.1Very low47.9Very low180 Ų18098.9 Ų98.968%0.67948%0.483SS*.Hα-helixtrans-68.8-26.6-178.9-172.6-179.8177.2-157.3-0.3111.3N710 K711N710-R713 PolarHBondContact O-N 3.41Å; K711-R713 VanDerWaalsContact C-N 3.26Å; K711-R713 PolarHBondContact O-N 3.43Å
714Q46.1Very low48Very low122 Ų12292.8 Ų92.857%0.5746%0.456SS*.Hα-helixtrans-82.3-52.1176.1-171.1157.2-9.500110.8K711 L712 G716 K717 E718K711-Q714 WeakPolarHBondContact O-CB 3.3Å; K711-Q714 PolarHBondContact O-N 3.07Å; L712-Q714 PolarHBondContact O-N 3.48Å; Q714-G716 PolarHBondContact O-N 2.89Å; Q714-G716 VanDerWaalsContact O-N 3.16Å; Q714-K717 WeakPolarHBondContact O-CA 3.38Å; Q714-K717 WeakPolarHBondContact O-CB 3.16Å; Q714-K717 PolarHBondContact O-N 3.44Å; Q714-E718 WeakPolarHBondContact CG-OE1 3.43Å; Q714-E718 PolarHBondContact O-N 3.41Å
715A42.7Very low48.1Very low34 Ų3493.4 Ų93.428%0.28145%0.452SS..Hα-helixtrans-57.5-31.4172.800000113K701 K711 E718 F719K701-A715 HydrophobicContact CD-CB 4.28Å; K711-A715 PolarHBondContact O-N 3.26Å; A715-E718 WeakPolarHBondContact CA-OE2 3.31Å; A715-E718 PolarHBondContact O-N 3.1Å; A715-F719 WeakPolarHBondContact O-CB 3.42Å; A715-F719 PolarHBondContact O-N 2.82Å
716G45.5Very low48Very low24 Ų2492.7 Ų92.725%0.24746%0.458CS..Hα-helixtrans-70.7-24.3173.600000114.7L712 Q714L712-G716 PolarHBondContact O-N 2.98Å; Q714-G716 PolarHBondContact O-N 2.89Å; Q714-G716 VanDerWaalsContact O-N 3.16Å
717K50.8Low48.1Very low143 Ų14390.2 Ų90.262%0.62244%0.437SS*.Hα-helixtrans-77.9-45.8169.5-71.6178.8171.4-164.60110.5Q714 F719 K720 R721Q714-K717 WeakPolarHBondContact O-CA 3.38Å; Q714-K717 WeakPolarHBondContact O-CB 3.16Å; Q714-K717 PolarHBondContact O-N 3.44Å; K717-F719 VanDerWaalsContact C-N 3.32Å; K717-F719 PolarHBondContact O-N 3.14Å; K717-K720 PolarHBondContact O-N 2.57Å; K717-R721 PolarHBondContact O-N 2.93Å
718E50.3Low48Very low103 Ų10381.4 Ų81.448%0.48140%0.399SS..Hα-helixtrans-60.2-40.5178.4-70.7156-174.600111.7Q714 A715 R721 A722Q714-E718 WeakPolarHBondContact CG-OE1 3.43Å; Q714-E718 PolarHBondContact O-N 3.41Å; A715-E718 WeakPolarHBondContact CA-OE2 3.31Å; A715-E718 PolarHBondContact O-N 3.1Å; E718-R721 WeakPolarHBondContact O-CB 3.29Å; E718-R721 PolarHBondContact O-N 3.17Å; E718-A722 PolarHBondContact O-N 3.4Å
719F43.4Very low47.6Very low71 Ų7178.8 Ų78.831%0.31139%0.386SS..Hα-helixtrans-60.6-46.4173.5177.3-88.8000113.6F694 S698 A715 K717 R721 A722 K723F694-F719 AromaticContact CD1-CE2 3.98Å; F694-F719 HydrophobicContact CD1-CE2 3.98Å; F694-F719 HydrophobicContact CD1-CZ 4.33Å; F694-F719 HydrophobicContact CD2-CD2 4.02Å; F694-F719 AromaticContact CD2-CE2 3.67Å; F694-F719 HydrophobicContact CD2-CE2 3.67Å; F694-F719 HydrophobicContact CD2-CZ 4.4Å; F694-F719 AromaticContact CE1-CE2 3.54Å; F694-F719 HydrophobicContact CE1-CE2 3.54Å; F694-F719 AromaticContact CE1-CZ 3.45Å; F694-F719 HydrophobicContact CE1-CZ 3.45Å; F694-F719 VanDerWaalsContact CE1-CZ 3.45Å; F694-F719 AromaticContact CE2-CD2 3.61Å; F694-F719 HydrophobicContact CE2-CD2 3.61Å; F694-F719 HydrophobicContact CE2-CE1 4.2Å; F694-F719 AromaticContact CE2-CE2 3.19Å; F694-F719 HydrophobicContact CE2-CE2 3.19Å; F694-F719 HydrophobicContact CE2-CG 4.29Å; F694-F719 AromaticContact CE2-CZ 3.55Å; F694-F719 HydrophobicContact CE2-CZ 3.55Å; F694-F719 HydrophobicContact CG-CE2 4.06Å; F694-F719 HydrophobicContact CZ-CD2 4.01Å; F694-F719 AromaticContact CZ-CE1 3.76Å; F694-F719 HydrophobicContact CZ-CE1 3.76Å; F694-F719 AromaticContact CZ-CE2 3.15Å; F694-F719 HydrophobicContact CZ-CE2 3.15Å; F694-F719 AromaticContact CZ-CZ 3.01Å; F694-F719 HydrophobicContact CZ-CZ 3.01Å; S698-F719 WeakPolarHBondContact OG-CE2 3.33Å; A715-F719 WeakPolarHBondContact O-CB 3.42Å; A715-F719 PolarHBondContact O-N 2.82Å; K717-F719 VanDerWaalsContact C-N 3.32Å; K717-F719 PolarHBondContact O-N 3.14Å; F719-R721 PolarHBondContact O-N 2.94Å; F719-A722 PolarHBondContact O-N 3.25Å; F719-K723 WeakPolarHBondContact O-CB 3.49Å; F719-K723 PolarHBondContact O-N 3.43Å
720K51.3Low47.2Very low146 Ų14674 Ų7464%0.63537%0.366SS*.Hα-helixtrans-61.1-35.6174.8-78.9-169.2171.6-160.80111.7K717 S724K717-K720 PolarHBondContact O-N 2.57Å; K720-S724 WeakPolarHBondContact O-CB 3.44Å; K720-S724 PolarHBondContact O-N 3.18Å
721R54.8Low47.3Very low54 Ų5469 Ų6920%0.20434%0.337CS..Hα-helixtrans-63.9-55177-150.2-170.5-157.3-151.5-6.2111.2K717 E718 F719 K723 S724 Q725 L840 P842 N843K717-R721 PolarHBondContact O-N 2.93Å; E718-R721 WeakPolarHBondContact O-CB 3.29Å; E718-R721 PolarHBondContact O-N 3.17Å; F719-R721 PolarHBondContact O-N 2.94Å; R721-K723 VanDerWaalsContact C-N 3.32Å; R721-K723 PolarHBondContact O-N 3.31Å; R721-S724 PolarHBondContact O-N 3.03Å; R721-Q725 WeakPolarHBondContact O-CG 3.46Å; R721-Q725 PolarHBondContact O-N 3.2Å; R721-L840 HydrophobicContact CG-CD2 3.8Å; R721-P842 VanDerWaalsContact NH2-CB 3.27Å; R721-N843 PolarHBondContact NE-ND2 3.5Å; R721-N843 PolarHBondContact NH1-OD1 2.87Å; R721-N843 PolarHBondContact NH2-OD1 3.27Å
722A48.3Very low47.6Very low52 Ų5267.1 Ų67.143%0.4333%0.329SS..Hα-helixtrans-61.4-40179.200000112E718 F719 Q725 A726E718-A722 PolarHBondContact O-N 3.4Å; F719-A722 PolarHBondContact O-N 3.25Å; A722-Q725 PolarHBondContact O-N 2.81Å; A722-A726 PolarHBondContact O-N 2.96Å
723K49.3Very low48.5Very low35 Ų3568.4 Ų68.415%0.15234%0.34CS..Hα-helixtrans-61.9-48.5174.1-178.4174.7176.4-81.70112.3F694 F719 R721 Q725 A726 E727 Y782F694-K723 HydrophobicContact CE2-CB 4.48Å; F719-K723 WeakPolarHBondContact O-CB 3.49Å; F719-K723 PolarHBondContact O-N 3.43Å; R721-K723 VanDerWaalsContact C-N 3.32Å; R721-K723 PolarHBondContact O-N 3.31Å; K723-Q725 VanDerWaalsContact C-N 3.28Å; K723-Q725 PolarHBondContact O-N 2.69Å; K723-A726 PolarHBondContact O-N 3.34Å; K723-E727 WeakPolarHBondContact CE-OE1 3.4Å; K723-E727 HydrophobicContact CG-CG 4.45Å; K723-E727 IonicContact NZ-OE1 3.11Å; K723-E727 PolarHBondContact NZ-OE1 2.97Å; K723-E727 IonicContact NZ-OE2 3.3Å; K723-E727 PolarHBondContact NZ-OE2 2.91Å; K723-E727 WeakPolarHBondContact O-CG 3.17Å; K723-E727 PolarHBondContact O-N 2.78Å; K723-Y782 PolarHBondContact NZ-OH 2.88Å
724S51.7Low49.7Very low17 Ų1760.7 Ų60.712%0.11932%0.315CS..Hα-helixtrans-62.7-35.3176.5174.10000112.1K720 R721 N728K720-S724 WeakPolarHBondContact O-CB 3.44Å; K720-S724 PolarHBondContact O-N 3.18Å; R721-S724 PolarHBondContact O-N 3.03Å; S724-N728 PolarHBondContact O-N 2.75Å; S724-N728 VanDerWaalsContact O-N 3.09Å; S724-N728 PolarHBondContact O-OD1 2.85Å; S724-N728 VanDerWaalsContact O-OD1 3.12Å
725Q51.8Low51.3Low54 Ų5455.8 Ų55.825%0.25229%0.293SS..Hα-helixtrans-64.4-43.5173.2-71.3176.2-92.400111.5R721 A722 K723 N728 C729 N843R721-Q725 WeakPolarHBondContact O-CG 3.46Å; R721-Q725 PolarHBondContact O-N 3.2Å; A722-Q725 PolarHBondContact O-N 2.81Å; K723-Q725 VanDerWaalsContact C-N 3.28Å; K723-Q725 PolarHBondContact O-N 2.69Å; Q725-N728 PolarHBondContact O-N 3.39Å; Q725-C729 PolarHBondContact O-SG 3.23Å; Q725-N843 PolarHBondContact NE2-ND2 2.79Å; Q725-N843 PolarHBondContact OE1-ND2 2.75Å; Q725-N843 VanDerWaalsContact OE1-ND2 3.16Å
726A45.5Very low53.1Low52 Ų5255 Ų5543%0.4329%0.287SS..Hα-helixtrans-63.9-42.9175.800000112.8A722 K723 N728 C729A722-A726 PolarHBondContact O-N 2.96Å; K723-A726 PolarHBondContact O-N 3.34Å; A726-N728 PolarHBondContact O-N 2.86Å; A726-C729 PolarHBondContact O-N 2.76Å
727E46Very low55Low74 Ų7456.5 Ų56.535%0.34629%0.289SS..Hα-helixtrans-63.7-36.7178.6-71.3175.5137.200112.7K723 C729K723-E727 WeakPolarHBondContact CE-OE1 3.4Å; K723-E727 HydrophobicContact CG-CG 4.45Å; K723-E727 IonicContact NZ-OE1 3.11Å; K723-E727 PolarHBondContact NZ-OE1 2.97Å; K723-E727 IonicContact NZ-OE2 3.3Å; K723-E727 PolarHBondContact NZ-OE2 2.91Å; K723-E727 WeakPolarHBondContact O-CG 3.17Å; K723-E727 PolarHBondContact O-N 2.78Å; E727-C729 VanDerWaalsContact C-N 3.3Å; E727-C729 PolarHBondContact O-N 2.79Å
728N46.8Very low56.7Low4 Ų449.9 Ų49.92%0.02126%0.26CS..Hα-helixtrans-65.5-29.4177.8-72.21.3000113.5S724 Q725 A726 Q730 R731 F746S724-N728 PolarHBondContact O-N 2.75Å; S724-N728 VanDerWaalsContact O-N 3.09Å; S724-N728 PolarHBondContact O-OD1 2.85Å; S724-N728 VanDerWaalsContact O-OD1 3.12Å; Q725-N728 PolarHBondContact O-N 3.39Å; A726-N728 PolarHBondContact O-N 2.86Å; N728-Q730 PolarHBondContact O-N 3.45Å; N728-R731 PolarHBondContact O-N 2.76Å; N728-F746 PolarHBondContact ND2-O 2.83Å; N728-F746 VanDerWaalsContact ND2-O 3.1Å
729C44.5Very low58.3Low14 Ų1445.5 Ų45.510%0.09524%0.239CC..Hα-helixtrans-76.9-20.8-163.6-72.90000115.1A535 S539 Q725 A726 E727 R731A535-C729 PolarHBondContact O-SG 2.74Å; S539-C729 VanDerWaalsContact OG-CB 3.25Å; S539-C729 WeakPolarHBondContact OG-CB 3.48Å; Q725-C729 PolarHBondContact O-SG 3.23Å; A726-C729 PolarHBondContact O-N 2.76Å; E727-C729 VanDerWaalsContact C-N 3.3Å; E727-C729 PolarHBondContact O-N 2.79Å; C729-R731 VanDerWaalsContact C-N 3.31Å
730Q41.5Very low60.1Low63 Ų6347.2 Ų47.229%0.29425%0.251SS..THydrogen-bonded Turntrans-9414.2176.1-65.7174-66.500112.4N728 F732N728-Q730 PolarHBondContact O-N 3.45Å; Q730-F732 HydrophobicContact CB-CD2 3.39Å; Q730-F732 HydrophobicContact CB-CE2 3.44Å; Q730-F732 VanDerWaalsContact CB-CE2 3.44Å; Q730-F732 HydrophobicContact CB-CG 4.03Å; Q730-F732 HydrophobicContact CB-CZ 4.11Å; Q730-F732 VanDerWaalsContact CD-CE2 3.43Å; Q730-F732 HydrophobicContact CG-CD2 4.3Å; Q730-F732 HydrophobicContact CG-CE2 4.03Å; Q730-F732 PolarHBondContact O-N 2.87Å; Q730-F732 VanDerWaalsContact OE1-CE2 3.3Å
731R50.6Low61.6Low38 Ų3845.5 Ų45.514%0.14324%0.244CC..SBendtrans56.33.6-171-76.9-163.1152.11471.8116.5G528 C532 N728 C729 S733G528-R731 VanDerWaalsContact C-NH2 3.32Å; G528-R731 VanDerWaalsContact O-CZ 3.22Å; G528-R731 PolarHBondContact O-NH1 3.48Å; G528-R731 PolarHBondContact O-NH2 2.83Å; C532-R731 VanDerWaalsContact SG-CD 3.56Å; C532-R731 PolarHBondContact SG-NH1 3.09Å; C532-R731 VanDerWaalsContact SG-NH1 3.44Å; N728-R731 PolarHBondContact O-N 2.76Å; C729-R731 VanDerWaalsContact C-N 3.31Å; R731-S733 PolarHBondContact O-N 3.06Å; R731-S733 VanDerWaalsContact O-N 3.1Å
732F50Low63.1Low100 Ų10043.5 Ų43.544%0.43924%0.239SC..SBendtrans-58.3-30.9-172.9-71.9-43.5000114.1Q730 I789Q730-F732 HydrophobicContact CB-CD2 3.39Å; Q730-F732 HydrophobicContact CB-CE2 3.44Å; Q730-F732 VanDerWaalsContact CB-CE2 3.44Å; Q730-F732 HydrophobicContact CB-CG 4.03Å; Q730-F732 HydrophobicContact CB-CZ 4.11Å; Q730-F732 VanDerWaalsContact CD-CE2 3.43Å; Q730-F732 HydrophobicContact CG-CD2 4.3Å; Q730-F732 HydrophobicContact CG-CE2 4.03Å; Q730-F732 PolarHBondContact O-N 2.87Å; Q730-F732 VanDerWaalsContact OE1-CE2 3.3Å; F732-I789 HydrophobicContact CE2-CG2 3.86Å; F732-I789 HydrophobicContact CZ-CG2 4.42Å
733S59.7Low64.8Low57 Ų5743 Ų4340%0.39923%0.225SC..  trans-150.9137.7174.156.50000111.9R731R731-S733 PolarHBondContact O-N 3.06Å; R731-S733 VanDerWaalsContact O-N 3.1Å
734A73.6Confident66.6Low18 Ų1841.5 Ų41.515%0.14922%0.219CC..  trans-58.6153.415800000110G736 R743 Y744 W745A734-G736 PolarHBondContact O-N 3.1Å; A734-G736 VanDerWaalsContact O-N 3.07Å; A734-R743 HydrophobicContact CB-CB 3.85Å; A734-R743 HydrophobicContact CB-CG 4.26Å; A734-Y744 CarbonylContact C-O 3.38Å; A734-Y744 WeakPolarHBondContact CB-O 3.44Å; A734-W745 HydrophobicContact CB-CD2 4.15Å; A734-W745 HydrophobicContact CB-CE3 4.39Å; A734-W745 HydrophobicContact CB-CH2 4.33Å; A734-W745 HydrophobicContact CB-CZ2 4.09Å; A734-W745 HydrophobicContact CB-CZ3 4.46Å
735I79.1Confident68.3Low19 Ų1940.9 Ų40.910%0.09721%0.214CC..SBendtrans-52.6-34.8177.1-52.3172.2000110.9Y744 F746 L754 L833 V836 L837 L840I735-Y744 WeakPolarHBondContact CB-O 3.44Å; I735-Y744 WeakPolarHBondContact CG1-O 3.41Å; I735-Y744 PolarHBondContact N-O 2.87Å; I735-F746 HydrophobicContact CD1-CB 3.51Å; I735-F746 HydrophobicContact CG1-CB 4.41Å; I735-L754 HydrophobicContact CD1-CD1 3.78Å; I735-L833 HydrophobicContact CB-CD1 4.49Å; I735-L833 HydrophobicContact CG2-CD1 4.34Å; I735-V836 HydrophobicContact CG2-CB 3.9Å; I735-V836 HydrophobicContact CG2-CG1 3.34Å; I735-L837 HydrophobicContact CD1-CD2 4.39Å; I735-L840 HydrophobicContact CD1-CD1 4.18Å; I735-L840 HydrophobicContact CG2-CD1 4.11Å
736G81.1Confident69.9Low16 Ų1638.5 Ų38.517%0.16520%0.203CC..EExtended strand (participates in β ladder)trans175.2-173.7173.300000110.7A734 Y744A734-G736 PolarHBondContact O-N 3.1Å; A734-G736 VanDerWaalsContact O-N 3.07Å; G736-Y744 PolarHBondContact O-N 2.96Å; G736-Y744 VanDerWaalsContact O-N 3.12Å
737M85.7Confident71.4Confident57 Ų5736.2 Ų36.228%0.28118%0.183SC..EExtended strand (participates in β ladder)trans-126.3149.7176.8-65.8175.4-176.600110.3S742 R743 R829M737-S742 VanDerWaalsContact CA-O 3.31Å; M737-S742 WeakPolarHBondContact CA-O 3.38Å; M737-R743 HydrophobicContact CE-CG 3.87Å; M737-R743 HydrophobicContact CG-CG 4.15Å; M737-R829 CarbonylContact O-C 3.57Å
738D85.9Confident72.7Confident3 Ų332.9 Ų32.92%0.01617%0.169CC..  trans-87-177.7170.364.123.5000112.3L510 N740 F741 S742 Y744 L823 L833L510-D738 HydrophobicContact CD1-CB 3.74Å; D738-N740 PolarHBondContact O-N 2.88Å; D738-N740 VanDerWaalsContact O-N 3.15Å; D738-N740 VanDerWaalsContact OD1-C 3.23Å; D738-N740 VanDerWaalsContact OD1-CA 3.23Å; D738-N740 WeakPolarHBondContact OD1-CA 3.44Å; D738-N740 VanDerWaalsContact OD1-CB 3.3Å; D738-N740 WeakPolarHBondContact OD1-CB 3.48Å; D738-N740 PolarHBondContact OD1-N 2.87Å; D738-F741 PolarHBondContact O-N 2.97Å; D738-F741 VanDerWaalsContact O-N 3.08Å; D738-F741 PolarHBondContact OD1-N 3.27Å; D738-S742 VanDerWaalsContact CG-OG 3.3Å; D738-S742 PolarHBondContact N-O 2.87Å; D738-S742 PolarHBondContact OD1-N 2.7Å; D738-S742 PolarHBondContact OD1-OG 2.86Å; D738-S742 VanDerWaalsContact OD1-OG 3.14Å; D738-S742 WeakPolarHBondContact OD2-CB 3.07Å; D738-S742 PolarHBondContact OD2-OG 3.35Å; D738-Y744 HydrophobicContact CB-CE2 3.75Å; D738-Y744 WeakPolarHBondContact OD2-CE2 3.39Å; D738-Y744 PolarHBondContact OD2-OH 3.03Å; D738-L823 HydrophobicContact CB-CD2 4.37Å; D738-L833 HydrophobicContact CB-CD2 4.47Å
739R83Confident74.1Confident12 Ų1236.6 Ų36.65%0.04520%0.195CC..THydrogen-bonded Turntrans-60.6-19.9175.970.8-167.570.4152.911.2114.4D501 K502 S508 L510 A822 R829 E830D501-R739 HydrophobicContact CB-CB 4.12Å; K502-R739 WeakPolarHBondContact CE-O 3.33Å; S508-R739 PolarHBondContact O-NH1 2.84Å; L510-R739 HydrophobicContact CD1-CG 4.26Å; R739-A822 PolarHBondContact NH2-O 2.92Å; R739-R829 PolarHBondContact O-NH2 3.32Å; R739-E830 VanDerWaalsContact CB-OE1 3.26Å; R739-E830 WeakPolarHBondContact CB-OE1 3.33Å; R739-E830 WeakPolarHBondContact CG-OE1 3.47Å; R739-E830 IonicContact CZ-OE1 2.71Å; R739-E830 IonicContact CZ-OE2 3.32Å; R739-E830 PolarHBondContact N-OE1 3.31Å; R739-E830 IonicContact NE-OE1 2.64Å; R739-E830 PolarHBondContact NE-OE1 2.85Å; R739-E830 IonicContact NE-OE2 2.64Å; R739-E830 PolarHBondContact NE-OE2 3.1Å; R739-E830 IonicContact NH2-OE1 3.63Å; R739-E830 PolarHBondContact NH2-OE1 3.38Å; R739-E830 IonicContact NH2-OE2 3.75Å; R739-E830 PolarHBondContact NH2-OE2 2.88Å
740N82.7Confident75.7Confident106 Ų10638.1 Ų38.157%0.56720%0.202SC*.THydrogen-bonded Turntrans-95.55.1179.2-62.1-18.7000112.9D738 S742D738-N740 PolarHBondContact O-N 2.88Å; D738-N740 VanDerWaalsContact O-N 3.15Å; D738-N740 VanDerWaalsContact OD1-C 3.23Å; D738-N740 VanDerWaalsContact OD1-CA 3.23Å; D738-N740 WeakPolarHBondContact OD1-CA 3.44Å; D738-N740 VanDerWaalsContact OD1-CB 3.3Å; D738-N740 WeakPolarHBondContact OD1-CB 3.48Å; D738-N740 PolarHBondContact OD1-N 2.87Å; N740-S742 PolarHBondContact O-N 3.22Å
741F82.8Confident77.6Confident111 Ų11135.1 Ų35.149%0.48719%0.188SC..  trans65.514.4-176.3-53.4-102.3000114.9D738 R743D738-F741 PolarHBondContact O-N 2.97Å; D738-F741 VanDerWaalsContact O-N 3.08Å; D738-F741 PolarHBondContact OD1-N 3.27Å; F741-R743 PolarHBondContact O-N 3.16Å
742S84.7Confident79.1Confident12 Ų1236.3 Ų36.38%0.08420%0.201CC..PPolyproline II helixtrans-64135.3172.7-30.30000109.7M737 D738 N740 Y744M737-S742 VanDerWaalsContact CA-O 3.31Å; M737-S742 WeakPolarHBondContact CA-O 3.38Å; D738-S742 VanDerWaalsContact CG-OG 3.3Å; D738-S742 PolarHBondContact N-O 2.87Å; D738-S742 PolarHBondContact OD1-N 2.7Å; D738-S742 PolarHBondContact OD1-OG 2.86Å; D738-S742 VanDerWaalsContact OD1-OG 3.14Å; D738-S742 WeakPolarHBondContact OD2-CB 3.07Å; D738-S742 PolarHBondContact OD2-OG 3.35Å; N740-S742 PolarHBondContact O-N 3.22Å; S742-Y744 VanDerWaalsContact O-CD2 3.31Å; S742-Y744 WeakPolarHBondContact O-CD2 3.46Å; S742-Y744 WeakPolarHBondContact O-CE2 3.24Å
743R84.6Confident80.7Confident41 Ų4131.6 Ų31.616%0.15518%0.181CC..EExtended strand (participates in β ladder)trans-95.6123.8-176.2-71.9-174.5-73.2147.81110.9A734 M737 F741 V756 E757 V759 F799A734-R743 HydrophobicContact CB-CB 3.85Å; A734-R743 HydrophobicContact CB-CG 4.26Å; M737-R743 HydrophobicContact CE-CG 3.87Å; M737-R743 HydrophobicContact CG-CG 4.15Å; F741-R743 PolarHBondContact O-N 3.16Å; R743-V756 CarbonylContact O-C 3.57Å; R743-V756 WeakPolarHBondContact O-CA 3.21Å; R743-E757 HydrophobicContact CB-CB 4.3Å; R743-E757 IonicContact CZ-OE1 2.71Å; R743-E757 IonicContact CZ-OE2 3.44Å; R743-E757 PolarHBondContact N-O 3.02Å; R743-E757 IonicContact NE-OE2 2.76Å; R743-E757 IonicContact NH1-OE1 3.79Å; R743-E757 IonicContact NH1-OE2 2.74Å; R743-E757 PolarHBondContact NH1-OE2 2.86Å; R743-E757 VanDerWaalsContact NH1-OE2 3.11Å; R743-E757 IonicContact NH2-OE1 2.68Å; R743-E757 PolarHBondContact NH2-OE1 2.97Å; R743-E757 IonicContact NH2-OE2 3.45Å; R743-E757 PolarHBondContact NH2-OE2 3.17Å; R743-E757 VanDerWaalsContact NH2-OE2 3.08Å; R743-E757 PolarHBondContact O-N 3.47Å; R743-V759 VanDerWaalsContact NH2-CG2 3.28Å; R743-F799 VanDerWaalsContact NH1-CZ 3.27Å
744Y88.1Confident82.1Confident4 Ų428.9 Ų28.92%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-98.9132.3-176-70.5-101.6000111.6A734 I735 G736 D738 S742 L754 V756 Y810 L819 L833A734-Y744 CarbonylContact C-O 3.38Å; A734-Y744 WeakPolarHBondContact CB-O 3.44Å; I735-Y744 WeakPolarHBondContact CB-O 3.44Å; I735-Y744 WeakPolarHBondContact CG1-O 3.41Å; I735-Y744 PolarHBondContact N-O 2.87Å; G736-Y744 PolarHBondContact O-N 2.96Å; G736-Y744 VanDerWaalsContact O-N 3.12Å; D738-Y744 HydrophobicContact CB-CE2 3.75Å; D738-Y744 WeakPolarHBondContact OD2-CE2 3.39Å; D738-Y744 PolarHBondContact OD2-OH 3.03Å; S742-Y744 VanDerWaalsContact O-CD2 3.31Å; S742-Y744 WeakPolarHBondContact O-CD2 3.46Å; S742-Y744 WeakPolarHBondContact O-CE2 3.24Å; Y744-L754 HydrophobicContact CD1-CD2 4.06Å; Y744-L754 HydrophobicContact CD1-CG 4.41Å; Y744-V756 HydrophobicContact CD1-CG2 3.72Å; Y744-V756 HydrophobicContact CE1-CG2 3.57Å; Y744-V756 HydrophobicContact CE2-CG1 4.49Å; Y744-V756 HydrophobicContact CG-CG2 4.46Å; Y744-Y810 AromaticContact CE1-CE2 3.93Å; Y744-Y810 HydrophobicContact CE1-CE2 3.93Å; Y744-L819 HydrophobicContact CD1-CD2 4.14Å; Y744-L819 HydrophobicContact CE1-CD1 4.01Å; Y744-L819 HydrophobicContact CE1-CD2 3.58Å; Y744-L819 HydrophobicContact CE1-CG 4.42Å; Y744-L833 HydrophobicContact CD2-CD1 4.29Å; Y744-L833 HydrophobicContact CD2-CD2 3.66Å; Y744-L833 HydrophobicContact CE2-CD2 3.85Å; Y744-L833 HydrophobicContact CG-CD1 4.1Å; Y744-L833 HydrophobicContact CG-CD2 4.15Å
745W86.8Confident82.9Confident4 Ų428.5 Ų28.52%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-132.9139.5-171.6-60.5100000112.5A734 F747 Y755 E757 W807A734-W745 HydrophobicContact CB-CD2 4.15Å; A734-W745 HydrophobicContact CB-CE3 4.39Å; A734-W745 HydrophobicContact CB-CH2 4.33Å; A734-W745 HydrophobicContact CB-CZ2 4.09Å; A734-W745 HydrophobicContact CB-CZ3 4.46Å; W745-F747 HydrophobicContact CB-CD2 4.45Å; W745-F747 HydrophobicContact CB-CE1 4.18Å; W745-F747 HydrophobicContact CB-CE2 3.61Å; W745-F747 HydrophobicContact CB-CZ 3.47Å; W745-F747 VanDerWaalsContact CB-CZ 3.47Å; W745-F747 HydrophobicContact CD2-CE1 4.49Å; W745-F747 HydrophobicContact CD2-CZ 4.18Å; W745-F747 HydrophobicContact CE3-CE1 4.17Å; W745-F747 HydrophobicContact CE3-CZ 4.33Å; W745-F747 HydrophobicContact CG-CE2 4.43Å; W745-F747 AromaticContact CG-CZ 3.88Å; W745-F747 HydrophobicContact CG-CZ 3.88Å; W745-Y755 PolarHBondContact N-O 3.41Å; W745-Y755 PolarHBondContact O-N 3.4Å; W745-E757 WeakPolarHBondContact CZ2-OE2 3.46Å; W745-E757 PolarHBondContact NE1-OE2 3.23Å; W745-W807 AromaticContact CD1-CZ3 3.67Å; W745-W807 HydrophobicContact CG-CZ3 4.26Å
746F84.7Confident83.3Confident4 Ų427.6 Ų27.62%0.01815%0.152CC..  trans-138.2117.1175.1172.8-113.3000108.3N728 I735 G748 L840 N843 I844N728-F746 PolarHBondContact ND2-O 2.83Å; N728-F746 VanDerWaalsContact ND2-O 3.1Å; I735-F746 HydrophobicContact CD1-CB 3.51Å; I735-F746 HydrophobicContact CG1-CB 4.41Å; F746-G748 WeakPolarHBondContact CE2-O 3.31Å; F746-G748 WeakPolarHBondContact CZ-O 3.4Å; F746-L840 HydrophobicContact CD1-CD1 4.46Å; F746-N843 HydrophobicContact CE1-CB 3.91Å; F746-N843 HydrophobicContact CZ-CB 3.77Å; F746-I844 HydrophobicContact CD1-CG1 4.43Å; F746-I844 HydrophobicContact CD2-CG1 3.7Å; F746-I844 HydrophobicContact CE2-CB 4.49Å; F746-I844 HydrophobicContact CE2-CG1 3.91Å; F746-I844 HydrophobicContact CG-CG1 3.98Å; F746-I844 HydrophobicContact CZ-CG1 4.37Å
747F77.2Confident83.6Confident3 Ų326.9 Ų26.91%0.01314%0.144CC..  trans-103.324.4-167.8-57-73.8000113.4L531 A535 W745 V751 Y755 W807L531-F747 HydrophobicContact CB-CD2 4.41Å; L531-F747 HydrophobicContact CB-CE1 4.27Å; L531-F747 HydrophobicContact CB-CE2 4.1Å; L531-F747 HydrophobicContact CB-CZ 4.01Å; L531-F747 HydrophobicContact CD1-CD2 4.45Å; L531-F747 HydrophobicContact CD1-CE2 3.65Å; L531-F747 HydrophobicContact CD1-CZ 3.92Å; L531-F747 HydrophobicContact CD2-CD2 3.73Å; L531-F747 HydrophobicContact CD2-CE2 3.8Å; L531-F747 HydrophobicContact CD2-CG 4.44Å; L531-F747 HydrophobicContact CG-CD2 4.43Å; L531-F747 HydrophobicContact CG-CE2 4.07Å; L531-F747 HydrophobicContact CG-CZ 4.4Å; A535-F747 HydrophobicContact CB-CD1 3.93Å; W745-F747 HydrophobicContact CB-CD2 4.45Å; W745-F747 HydrophobicContact CB-CE1 4.18Å; W745-F747 HydrophobicContact CB-CE2 3.61Å; W745-F747 HydrophobicContact CB-CZ 3.47Å; W745-F747 VanDerWaalsContact CB-CZ 3.47Å; W745-F747 HydrophobicContact CD2-CE1 4.49Å; W745-F747 HydrophobicContact CD2-CZ 4.18Å; W745-F747 HydrophobicContact CE3-CE1 4.17Å; W745-F747 HydrophobicContact CE3-CZ 4.33Å; W745-F747 HydrophobicContact CG-CE2 4.43Å; W745-F747 AromaticContact CG-CZ 3.88Å; W745-F747 HydrophobicContact CG-CZ 3.88Å; F747-V751 HydrophobicContact CB-CB 4.03Å; F747-V751 HydrophobicContact CB-CG2 3.96Å; F747-Y755 HydrophobicContact CD2-CD2 4.07Å; F747-Y755 HydrophobicContact CE2-CD2 4.2Å; F747-Y755 HydrophobicContact CE2-CG 4.18Å; F747-W807 HydrophobicContact CE2-CZ3 4.43Å; F747-W807 HydrophobicContact CZ-CH2 4.34Å; F747-W807 HydrophobicContact CZ-CZ3 4.25Å
748G74.4Confident83.5Confident5 Ų527.4 Ų27.45%0.05215%0.145CC..  trans91.7-154.4177.200000114F746F746-G748 WeakPolarHBondContact CE2-O 3.31Å; F746-G748 WeakPolarHBondContact CZ-O 3.4Å
749S75.5Confident82.5Confident82 Ų8230.5 Ų30.557%0.57316%0.164SC*.SBendtrans-88.6-26-174.3650000114E538 V751E538-S749 WeakPolarHBondContact OE1-CB 3.31Å; E538-S749 PolarHBondContact OE1-N 3.25Å; E538-S749 PolarHBondContact OE1-OG 3.02Å; E538-S749 PolarHBondContact OE2-OG 2.93Å; S749-V751 VanDerWaalsContact C-N 3.35Å
750L77.1Confident81.1Confident45 Ų4533.2 Ų33.224%0.23618%0.184CC..SBendtrans-73-22.8179.5-65.6171.4000114.1F534 I537 E538 L552 F554F534-L750 HydrophobicContact CD1-CB 3.79Å; F534-L750 HydrophobicContact CD1-CD1 4.22Å; F534-L750 HydrophobicContact CE1-CB 4.24Å; I537-L750 HydrophobicContact CG2-CD1 4.23Å; E538-L750 HydrophobicContact CB-CD1 4.45Å; E538-L750 WeakPolarHBondContact OE2-CD1 3.12Å; E538-L750 WeakPolarHBondContact OE2-CG 3.47Å; L552-L750 HydrophobicContact CD2-CD1 4.03Å; L552-L750 HydrophobicContact CD2-CD2 4.46Å; F554-L750 WeakPolarHBondContact CB-O 3.35Å
751V82.4Confident79Confident1 Ų133.2 Ų33.21%0.00620%0.199CC..SBendtrans-114.1114.7180-169.40000109.3L531 F534 F554 F747 S749 Y755L531-V751 HydrophobicContact CD2-CG1 3.78Å; F534-V751 HydrophobicContact CB-CG2 3.61Å; F534-V751 HydrophobicContact CD1-CG2 4.14Å; F534-V751 HydrophobicContact CG-CG2 4.02Å; F554-V751 HydrophobicContact CD1-CG1 4.36Å; F554-V751 HydrophobicContact CD2-CB 4.44Å; F554-V751 HydrophobicContact CD2-CG1 4.03Å; F554-V751 HydrophobicContact CD2-CG2 3.83Å; F554-V751 HydrophobicContact CE1-CG1 4.26Å; F554-V751 HydrophobicContact CE2-CG1 3.92Å; F554-V751 HydrophobicContact CE2-CG2 4.15Å; F554-V751 HydrophobicContact CG-CG1 4.24Å; F554-V751 HydrophobicContact CG-CG2 4.46Å; F554-V751 HydrophobicContact CZ-CG1 4.04Å; F747-V751 HydrophobicContact CB-CB 4.03Å; F747-V751 HydrophobicContact CB-CG2 3.96Å; S749-V751 VanDerWaalsContact C-N 3.35Å; V751-Y755 HydrophobicContact CG1-CE2 3.63Å
752P83Confident76.8Confident63 Ų6337 Ų3741%0.40922%0.215SC..  trans-75128.2-172.429.4-35.3000112.8Y755 S847P752-Y755 WeakPolarHBondContact O-CE2 3.4Å; P752-Y755 PolarHBondContact O-OH 2.94Å; P752-S847 WeakPolarHBondContact CA-O 3.3Å; P752-S847 WeakPolarHBondContact CB-O 3Å
753G83.5Confident74.3Confident1 Ų145.1 Ų45.11%0.0125%0.252CS..SBendtrans99.4-173.3166.900000116.3S847G753-S847 PolarHBondContact N-OG 3.39Å
754L88.8Confident72Confident0 Ų049.9 Ų49.90%028%0.279CS..EExtended strand (participates in β ladder)trans-109.7119.3179.3176.972.1000109I735 Y744 R809 Y810 F816 L819 L837 I844I735-L754 HydrophobicContact CD1-CD1 3.78Å; Y744-L754 HydrophobicContact CD1-CD2 4.06Å; Y744-L754 HydrophobicContact CD1-CG 4.41Å; L754-R809 CarbonylContact O-C 3.56Å; L754-R809 WeakPolarHBondContact O-CA 3.14Å; L754-Y810 HydrophobicContact CD2-CD2 4.06Å; L754-Y810 HydrophobicContact CG-CD2 4.48Å; L754-Y810 PolarHBondContact N-O 3.08Å; L754-Y810 PolarHBondContact O-N 3.01Å; L754-F816 HydrophobicContact CD2-CD2 3.95Å; L754-F816 HydrophobicContact CD2-CE2 4.07Å; L754-L819 HydrophobicContact CD2-CD2 3.7Å; L754-L837 HydrophobicContact CD1-CD2 3.91Å; L754-L837 HydrophobicContact CD2-CD2 3.91Å; L754-I844 HydrophobicContact CB-CG2 4.14Å; L754-I844 HydrophobicContact CD1-CD1 4.27Å
755Y89.2Confident69.2Low10 Ų1057 Ų574%0.03931%0.313CS..EExtended strand (participates in β ladder)trans-95.6147.9-178-71.5-96.9000111.2V516 F527 W745 F747 V751 P752 Y808 R809V516-Y755 HydrophobicContact CG2-CD1 4.04Å; V516-Y755 HydrophobicContact CG2-CE1 3.89Å; F527-Y755 HydrophobicContact CE1-CD1 4.17Å; F527-Y755 AromaticContact CE1-CE1 3.94Å; F527-Y755 HydrophobicContact CE1-CE1 3.94Å; F527-Y755 HydrophobicContact CZ-CD1 4.41Å; F527-Y755 AromaticContact CZ-CE1 3.73Å; F527-Y755 HydrophobicContact CZ-CE1 3.73Å; W745-Y755 PolarHBondContact N-O 3.41Å; W745-Y755 PolarHBondContact O-N 3.4Å; F747-Y755 HydrophobicContact CD2-CD2 4.07Å; F747-Y755 HydrophobicContact CE2-CD2 4.2Å; F747-Y755 HydrophobicContact CE2-CG 4.18Å; V751-Y755 HydrophobicContact CG1-CE2 3.63Å; P752-Y755 WeakPolarHBondContact O-CE2 3.4Å; P752-Y755 PolarHBondContact O-OH 2.94Å; Y755-Y808 CarbonylContact C-O 3.54Å; Y755-Y808 WeakPolarHBondContact CA-O 3.2Å; Y755-R809 HydrophobicContact CD1-CB 4.37Å; Y755-R809 HydrophobicContact CE1-CB 4.36Å
756V89.1Confident66.7Low0 Ų062.7 Ų62.70%034%0.335CS..EExtended strand (participates in β ladder)trans-127125.4175.6-172.70000108.9P513 R743 Y744 K758 Y808 Y810P513-V756 HydrophobicContact CB-CG2 4.48Å; R743-V756 CarbonylContact O-C 3.57Å; R743-V756 WeakPolarHBondContact O-CA 3.21Å; Y744-V756 HydrophobicContact CD1-CG2 3.72Å; Y744-V756 HydrophobicContact CE1-CG2 3.57Å; Y744-V756 HydrophobicContact CE2-CG1 4.49Å; Y744-V756 HydrophobicContact CG-CG2 4.46Å; V756-K758 HydrophobicContact CG1-CG 4.43Å; V756-Y808 PolarHBondContact N-O 3.1Å; V756-Y808 PolarHBondContact O-N 2.97Å; V756-Y810 HydrophobicContact CG2-CD2 4Å; V756-Y810 HydrophobicContact CG2-CE2 3.64Å
757E86.4Confident64Low1 Ų168.9 Ų68.91%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-102.3117.7175.4-172.7-173.1-175.300108.4R743 W745 N805 W807R743-E757 HydrophobicContact CB-CB 4.3Å; R743-E757 IonicContact CZ-OE1 2.71Å; R743-E757 IonicContact CZ-OE2 3.44Å; R743-E757 PolarHBondContact N-O 3.02Å; R743-E757 IonicContact NE-OE2 2.76Å; R743-E757 IonicContact NH1-OE1 3.79Å; R743-E757 IonicContact NH1-OE2 2.74Å; R743-E757 PolarHBondContact NH1-OE2 2.86Å; R743-E757 VanDerWaalsContact NH1-OE2 3.11Å; R743-E757 IonicContact NH2-OE1 2.68Å; R743-E757 PolarHBondContact NH2-OE1 2.97Å; R743-E757 IonicContact NH2-OE2 3.45Å; R743-E757 PolarHBondContact NH2-OE2 3.17Å; R743-E757 VanDerWaalsContact NH2-OE2 3.08Å; R743-E757 PolarHBondContact O-N 3.47Å; W745-E757 WeakPolarHBondContact CZ2-OE2 3.46Å; W745-E757 PolarHBondContact NE1-OE2 3.23Å; E757-N805 HydrophobicContact CG-CB 4.02Å; E757-N805 PolarHBondContact OE1-ND2 3.46Å; E757-W807 HydrophobicContact CB-CE3 4.13Å; E757-W807 HydrophobicContact CB-CH2 4.07Å; E757-W807 HydrophobicContact CB-CZ3 3.86Å; E757-W807 HydrophobicContact CG-CH2 4.1Å; E757-W807 HydrophobicContact CG-CZ2 4.15Å; E757-W807 HydrophobicContact CG-CZ3 4.34Å
758K83.3Confident61.8Low68 Ų6871.8 Ų71.830%0.29640%0.399SS..EExtended strand (participates in β ladder)trans-103.6124.4172.5-60.3-172.1-167.3167.60108.6V756 L806 Y808V756-K758 HydrophobicContact CG1-CG 4.43Å; K758-L806 PolarHBondContact N-O 3.32Å; K758-L806 PolarHBondContact O-N 2.75Å; K758-Y808 HydrophobicContact CB-CD2 4.44Å; K758-Y808 HydrophobicContact CB-CE2 4.04Å; K758-Y808 HydrophobicContact CD-CD2 3.88Å; K758-Y808 HydrophobicContact CD-CE2 3.47Å; K758-Y808 VanDerWaalsContact CD-CE2 3.47Å; K758-Y808 HydrophobicContact CG-CD2 3.89Å; K758-Y808 HydrophobicContact CG-CE2 3.77Å
759V66.1Low59.8Low68 Ų6876.3 Ų76.341%0.41242%0.421SS..PPolyproline II helixtrans-89.6129.2174.6-173.30000107.5R743R743-V759 VanDerWaalsContact NH2-CG2 3.28Å
760S53.6Low57.8Low69 Ų6975.4 Ų75.448%0.48341%0.41SS..PPolyproline II helixtrans-64.6144.4171.547.80000110F762S760-F762 PolarHBondContact O-N 3.36Å
761A38.4Very low55.6Low105 Ų10581.2 Ų81.287%0.86844%0.436SS*.SBendtrans-58.6112.6-155.600000114.8
762F36.8Very low53.2Low190 Ų19086.7 Ų86.783%0.83346%0.464SS*.  trans-133.1133.2153.4-130.2-91.6000108.8S760 I764S760-F762 PolarHBondContact O-N 3.36Å; F762-I764 PolarHBondContact O-N 3.02Å
763E31.5Very low51Low183 Ų18389.3 Ų89.386%0.85547%0.471SS*.  trans-70.6102.1174.1-66.4-176.4140.500108.5E765E763-E765 VanDerWaalsContact C-N 3.33Å; E763-E765 PolarHBondContact O-N 3.02Å
764I36Very low48.5Very low142 Ų14297.2 Ų97.273%0.72851%0.505SS*.  trans-70.298.2164.8-58.7177.6000106.4F762 Y766F762-I764 PolarHBondContact O-N 3.02Å; I764-Y766 PolarHBondContact O-N 2.78Å; I764-Y766 VanDerWaalsContact O-N 3.09Å
765E28.9Very low45.5Very low154 Ų154102.1 Ų102.172%0.7254%0.538SS*.  trans-52.6117.7165.3-78.2-160.2157.600108.6E763 N767E763-E765 VanDerWaalsContact C-N 3.33Å; E763-E765 PolarHBondContact O-N 3.02Å; E765-N767 PolarHBondContact O-N 2.87Å; E765-N767 PolarHBondContact OE2-ND2 3.23Å
766Y34.9Very low42.6Very low123 Ų123108.6 Ų108.648%0.48257%0.573SS.*  trans-80.237-171.9-134.4-96.5000112.6I764 G768I764-Y766 PolarHBondContact O-N 2.78Å; I764-Y766 VanDerWaalsContact O-N 3.09Å; Y766-G768 PolarHBondContact O-N 2.73Å
767N28Very low39.9Very low134 Ų134115.8 Ų115.872%0.71761%0.612SS**  trans-95.771.3-173.4-68.6-30.1000110.6E765E765-N767 PolarHBondContact O-N 2.87Å; E765-N767 PolarHBondContact OE2-ND2 3.23Å
768G30.9Very low37.3Very low63 Ų63120.6 Ų120.665%0.64964%0.637SS**SBendtrans170.6-23.1172.200000117.7Y766Y766-G768 PolarHBondContact O-N 2.73Å
769I33.3Very low35Very low101 Ų101122.1 Ų122.152%0.51866%0.663SS.*SBendtrans-99.7-16.1-172.8-59.7175.7000113E771 L772I769-E771 PolarHBondContact O-N 2.8Å; I769-L772 PolarHBondContact O-N 2.82Å
770D32.3Very low33.4Very low63 Ų63124.8 Ų124.834%0.33767%0.669SS.*THydrogen-bonded Turntrans-74.8-3.8-176.9-116.5-1.1000114.2R828D770-R828 IonicContact OD1-NH2 3.93Å; D770-R828 PolarHBondContact OD1-NH2 2.84Å; D770-R828 IonicContact OD2-NH2 3.41Å
771E30.9Very low32.5Very low167 Ų167125.3 Ų125.378%0.7867%0.669SS**THydrogen-bonded Turntrans-82.9-25.3168.7-64.5-153.9138.300113.3I769 H773I769-E771 PolarHBondContact O-N 2.8Å; E771-H773 VanDerWaalsContact C-N 3.29Å; E771-H773 PolarHBondContact O-N 3.12Å
772L31.5Very low32.2Very low116 Ų116127.9 Ų127.961%0.60766%0.658SS**THydrogen-bonded Turntrans-76.1-14.6175.6-101.882.4000113.8I769 R785I769-L772 PolarHBondContact O-N 2.82Å; L772-R785 PolarHBondContact O-NH2 2.75Å
773H37.3Very low32Very low118 Ų118122.2 Ų122.255%0.54664%0.641SS.*THydrogen-bonded Turntrans-1018.1-173.8-77.495.5000115E771E771-H773 VanDerWaalsContact C-N 3.29Å; E771-H773 PolarHBondContact O-N 3.12Å
774K30.4Very low32Very low166 Ų166118.1 Ų118.172%0.72263%0.625SS**  trans-93.24.5177.8-70.9178.4-176.7165.30115.3
775C25.9Very low31.9Very low103 Ų103117.6 Ų117.670%0.69661%0.614SS**  trans-104.755.2177.7-82.40000113.4
776D29.3Very low31.9Very low147 Ų147113.8 Ų113.879%0.78660%0.595SS**  trans-107.886.5168.1-92.3-22.9000110.1
777D32.7Very low31.7Very low150 Ų150110.6 Ų110.680%0.80259%0.594SS**SBendtrans-167.5-20.9155.9-117.4-19.1000114.6
778D31.9Very low31.8Very low102 Ų102108.4 Ų108.455%0.54559%0.585SS.*  trans-104.5106.7-178.9-81-45.9000113.5K780 T781D778-K780 PolarHBondContact O-N 3.45Å; D778-T781 PolarHBondContact O-OG1 3.27Å
779A34.3Very low31.9Very low101 Ų101108.8 Ų108.884%0.83557%0.572SS**THydrogen-bonded Turntrans-713117900000115
780K33.4Very low31.9Very low123 Ų123108.2 Ų108.254%0.53557%0.569SS.*THydrogen-bonded Turntrans-120.8-16.5-177.8-86.6-171171.9-171.10115.5L36 Y40 D778 Y782L36-K780 VanDerWaalsContact CD1-NZ 3.25Å; L36-K780 HydrophobicContact CD2-CD 4.16Å; Y40-K780 PolarHBondContact OH-NZ 3.1Å; D778-K780 PolarHBondContact O-N 3.45Å; K780-Y782 VanDerWaalsContact C-N 3.35Å
781T34Very low31.8Very low80 Ų80108.1 Ų108.149%0.49157%0.573SS.*  trans-91.912.2179.535.10000114.2D778 C783 D784D778-T781 PolarHBondContact O-OG1 3.27Å; T781-C783 VanDerWaalsContact C-N 3.26Å; T781-C783 PolarHBondContact O-N 3.07Å; T781-D784 PolarHBondContact O-N 3.12Å
782Y32.8Very low31.7Very low160 Ų160108.1 Ų108.163%0.62757%0.571SS**THydrogen-bonded Turntrans-73.8-12.1-176.5-131.7-94.4000114.5K723 K780K723-Y782 PolarHBondContact NZ-OH 2.88Å; K780-Y782 VanDerWaalsContact C-N 3.35Å
783C31.5Very low31.6Very low71 Ų71108.7 Ų108.748%0.4858%0.575SS.*THydrogen-bonded Turntrans-78.8-35.9174.4-116.80000112.3T781 R785 F786 A787T781-C783 VanDerWaalsContact C-N 3.26Å; T781-C783 PolarHBondContact O-N 3.07Å; C783-R785 PolarHBondContact O-N 3.1Å; C783-F786 PolarHBondContact O-N 3.44Å; C783-A787 PolarHBondContact O-N 2.9Å
784D32.5Very low31.2Very low97 Ų97110.9 Ų110.952%0.51958%0.583SS.*Hα-helixtrans-75.8-29-168.9-58.6-36.6000112.6T781 F786 A787 V788T781-D784 PolarHBondContact O-N 3.12Å; D784-F786 VanDerWaalsContact C-N 3.26Å; D784-F786 PolarHBondContact O-N 3.11Å; D784-A787 WeakPolarHBondContact O-CA 3.49Å; D784-A787 WeakPolarHBondContact O-CB 3.25Å; D784-A787 PolarHBondContact O-N 3.33Å; D784-V788 WeakPolarHBondContact O-CG2 3.35Å; D784-V788 PolarHBondContact O-N 3.23Å
785R32.2Very low31.2Very low130 Ų130105.6 Ų105.649%0.49157%0.565SS.*Hα-helixtrans-62.1-30.8173.5-86.8-172.9175.4173.30.6113.5L772 C783 I789L772-R785 PolarHBondContact O-NH2 2.75Å; C783-R785 PolarHBondContact O-N 3.1Å; R785-I789 WeakPolarHBondContact O-CD1 3.47Å; R785-I789 WeakPolarHBondContact O-CG1 3.32Å; R785-I789 PolarHBondContact O-N 3.01Å
786F29.1Very low31.4Very low74 Ų74104.1 Ų104.133%0.32555%0.546SS..Hα-helixtrans-77.6-29.5172.2-101.6-90.9000112.4C783 D784 I789 L790C783-F786 PolarHBondContact O-N 3.44Å; D784-F786 VanDerWaalsContact C-N 3.26Å; D784-F786 PolarHBondContact O-N 3.11Å; F786-I789 PolarHBondContact O-N 3.16Å; F786-L790 WeakPolarHBondContact O-CG 3.35Å; F786-L790 PolarHBondContact O-N 3.3Å
787A30.9Very low31.6Very low57 Ų57101.5 Ų101.547%0.47155%0.546SS..Hα-helixtrans-68.1-35.2172.400000112C783 D784 L790 S791C783-A787 PolarHBondContact O-N 2.9Å; D784-A787 WeakPolarHBondContact O-CA 3.49Å; D784-A787 WeakPolarHBondContact O-CB 3.25Å; D784-A787 PolarHBondContact O-N 3.33Å; A787-L790 CarbonylContact O-C 3.6Å; A787-L790 PolarHBondContact O-N 2.72Å; A787-S791 PolarHBondContact O-N 2.7Å
788V31.2Very low31.9Very low87 Ų8799.2 Ų99.253%0.52753%0.526SS..Hα-helixtrans-69.4-31.3174.9174.50000112.6D784 L790 S791D784-V788 WeakPolarHBondContact O-CG2 3.35Å; D784-V788 PolarHBondContact O-N 3.23Å; V788-L790 VanDerWaalsContact C-N 3.28Å; V788-S791 WeakPolarHBondContact CA-OG 3.4Å; V788-S791 PolarHBondContact O-OG 2.72Å
789I32.8Very low32.2Very low71 Ų7197.8 Ų97.836%0.36452%0.515SS..Hα-helixtrans-72.7-24.1173.5-67.4165000111.6F732 R785 F786F732-I789 HydrophobicContact CE2-CG2 3.86Å; F732-I789 HydrophobicContact CZ-CG2 4.42Å; R785-I789 WeakPolarHBondContact O-CD1 3.47Å; R785-I789 WeakPolarHBondContact O-CG1 3.32Å; R785-I789 PolarHBondContact O-N 3.01Å; F786-I789 PolarHBondContact O-N 3.16Å
790L32.3Very low32.3Very low90 Ų9097.1 Ų97.147%0.47150%0.502SS..Hα-helixtrans-98.7-8178.4-66.2170.9000113.4F786 A787 V788 F792F786-L790 WeakPolarHBondContact O-CG 3.35Å; F786-L790 PolarHBondContact O-N 3.3Å; A787-L790 CarbonylContact O-C 3.6Å; A787-L790 PolarHBondContact O-N 2.72Å; V788-L790 VanDerWaalsContact C-N 3.28Å; L790-F792 VanDerWaalsContact C-N 3.31Å; L790-F792 PolarHBondContact O-N 3.41Å; L790-F792 VanDerWaalsContact O-N 3.07Å
791S30.6Very low32.7Very low60 Ų6095.9 Ų95.942%0.4251%0.514SS..SBendtrans-81.479.6169.160.60000110.4A787 V788 D793A787-S791 PolarHBondContact O-N 2.7Å; V788-S791 WeakPolarHBondContact CA-OG 3.4Å; V788-S791 PolarHBondContact O-OG 2.72Å; S791-D793 PolarHBondContact O-N 2.97Å
792F29.1Very low33Very low168 Ų16899.5 Ų99.574%0.73753%0.531SS*.SBendtrans25-4.6154.2-111.4-95.9000125.1L790L790-F792 VanDerWaalsContact C-N 3.31Å; L790-F792 PolarHBondContact O-N 3.41Å; L790-F792 VanDerWaalsContact O-N 3.07Å
793D29Very low33.8Very low128 Ų12894.3 Ų94.368%0.68452%0.516SS*.  trans-114.3-4.8-169.5-61.8-44.1000114.6S791 V795S791-D793 PolarHBondContact O-N 2.97Å; D793-V795 PolarHBondContact O-N 3.42Å
794F29.5Very low35Very low163 Ų16398.2 Ų98.272%0.71553%0.527SS*.  trans-83.281.6178.4-120.8-91.1000112.4
795V30.4Very low36.6Very low56 Ų5694.1 Ų94.134%0.33951%0.505SS..  trans-47.3139.5168.9179.40000110.2D793 A797D793-V795 PolarHBondContact O-N 3.42Å; V795-A797 PolarHBondContact O-N 2.93Å
796F30.2Very low38.9Very low71 Ų7191.7 Ų91.731%0.31150%0.502SS..  trans-49.1114.8166.7-91.2-92000109L678 R798L678-F796 HydrophobicContact CD1-CE2 3.71Å; L678-F796 HydrophobicContact CD1-CZ 3.77Å; F796-R798 PolarHBondContact O-N 3.35Å
797A32.4Very low41.7Very low93 Ų9388.9 Ų88.977%0.76949%0.489SS*.  trans-6969.5162.500000108.5V795 F799V795-A797 PolarHBondContact O-N 2.93Å; A797-F799 PolarHBondContact O-N 3.19Å
798R39.3Very low44.5Very low101 Ų10188.5 Ų88.538%0.38148%0.476SS..PPolyproline II helixtrans-56.3122.9167.2-157.9175.6-161.5158.38.4104.9F796F796-R798 PolarHBondContact O-N 3.35Å
799F38.2Very low47.3Very low72 Ų7288.6 Ų88.632%0.31647%0.467SS..PPolyproline II helixtrans-52.1142.4-179.5-70.8-74.9000109.6R743 A797 A801R743-F799 VanDerWaalsContact NH1-CZ 3.27Å; A797-F799 PolarHBondContact O-N 3.19Å; F799-A801 PolarHBondContact O-N 3.07Å; F799-A801 VanDerWaalsContact O-N 3.17Å
800P37.5Very low50Low87 Ų8785.4 Ų85.457%0.56545%0.45SS*.PPolyproline II helixtrans-47.8128168.8-24.533.9000108.3D802 T803P800-D802 PolarHBondContact O-N 3.25Å; P800-T803 PolarHBondContact O-N 2.91Å; P800-T803 PolarHBondContact O-OG1 3.29Å
801A40.8Very low52.3Low97 Ų9782.5 Ų82.580%0.80244%0.441SS*.THydrogen-bonded Turntrans-59.8-17.9-174.100000112.7F799F799-A801 PolarHBondContact O-N 3.07Å; F799-A801 VanDerWaalsContact O-N 3.17Å
802D41.5Very low54.9Low156 Ų15682.8 Ų82.883%0.83444%0.438SS*.THydrogen-bonded Turntrans-97.55.1-169.6-47.6-42.9000114P800P800-D802 PolarHBondContact O-N 3.25Å
803T49Very low57.8Low51 Ų5179 Ų7931%0.31342%0.423SS..  trans-103.6110.5172.557.10000111.8P800 N805P800-T803 PolarHBondContact O-N 2.91Å; P800-T803 PolarHBondContact O-OG1 3.29Å; T803-N805 VanDerWaalsContact C-N 3.3Å; T803-N805 PolarHBondContact O-N 3.46Å
804E56.6Low60.6Low153 Ų15375.7 Ų75.772%0.71541%0.413SS*.  trans-68.983171.4-69.4-169.1160.200111.4L806E804-L806 PolarHBondContact O-N 3.23Å
805N66.3Low63.4Low12 Ų1268.7 Ų68.76%0.06439%0.386CS..PPolyproline II helixtrans-72.3118173.5-66-11.6000109.6S524 E757 T803S524-N805 WeakPolarHBondContact CB-O 3.42Å; E757-N805 HydrophobicContact CG-CB 4.02Å; E757-N805 PolarHBondContact OE1-ND2 3.46Å; T803-N805 VanDerWaalsContact C-N 3.3Å; T803-N805 PolarHBondContact O-N 3.46Å
806L80.9Confident66.3Low78 Ų7866 Ų6641%0.40837%0.37SS..EExtended strand (participates in β ladder)trans-90.1128.9179.8-67.2175.6000110.7K758 E804 Y808K758-L806 PolarHBondContact N-O 3.32Å; K758-L806 PolarHBondContact O-N 2.75Å; E804-L806 PolarHBondContact O-N 3.23Å; L806-Y808 HydrophobicContact CB-CD2 4.49Å; L806-Y808 HydrophobicContact CB-CE2 3.69Å
807W87.1Confident69.2Low15 Ų1565 Ų656%0.05737%0.367CS..EExtended strand (participates in β ladder)trans-96.5129.3179-6795.4000111.5V516 S524 F527 L531 W745 F747 E757V516-W807 HydrophobicContact CB-CB 4.28Å; V516-W807 HydrophobicContact CG2-CB 4.04Å; V516-W807 PolarHBondContact N-O 2.91Å; S524-W807 PolarHBondContact O-NE1 3.07Å; F527-W807 HydrophobicContact CD1-CB 4.05Å; F527-W807 AromaticContact CD1-CD1 3.71Å; F527-W807 HydrophobicContact CD1-CD2 4.09Å; F527-W807 AromaticContact CD1-CG 3.67Å; F527-W807 HydrophobicContact CD1-CG 3.67Å; F527-W807 HydrophobicContact CE1-CB 4.12Å; F527-W807 HydrophobicContact CE1-CD2 4.31Å; F527-W807 HydrophobicContact CE1-CG 4.05Å; L531-W807 HydrophobicContact CD1-CD2 4.13Å; L531-W807 HydrophobicContact CD1-CE3 3.91Å; L531-W807 HydrophobicContact CD1-CH2 3.94Å; L531-W807 HydrophobicContact CD1-CZ2 4.13Å; L531-W807 HydrophobicContact CD1-CZ3 3.8Å; W745-W807 AromaticContact CD1-CZ3 3.67Å; W745-W807 HydrophobicContact CG-CZ3 4.26Å; F747-W807 HydrophobicContact CE2-CZ3 4.43Å; F747-W807 HydrophobicContact CZ-CH2 4.34Å; F747-W807 HydrophobicContact CZ-CZ3 4.25Å; E757-W807 HydrophobicContact CB-CE3 4.13Å; E757-W807 HydrophobicContact CB-CH2 4.07Å; E757-W807 HydrophobicContact CB-CZ3 3.86Å; E757-W807 HydrophobicContact CG-CH2 4.1Å; E757-W807 HydrophobicContact CG-CZ2 4.15Å; E757-W807 HydrophobicContact CG-CZ3 4.34Å
808Y89.9Confident72Confident50 Ų5066 Ų6620%0.19636%0.356CS..EExtended strand (participates in β ladder)trans-124166.2172.6-57.9-102.3000109.4P513 E514 P515 Y755 V756 K758 L806P513-Y808 HydrophobicContact CG-CD1 4.06Å; P513-Y808 HydrophobicContact CG-CG 3.91Å; P513-Y808 WeakPolarHBondContact O-CD1 3.37Å; E514-Y808 CarbonylContact O-C 3.55Å; E514-Y808 WeakPolarHBondContact O-CA 3.41Å; E514-Y808 WeakPolarHBondContact O-CB 3.35Å; P515-Y808 HydrophobicContact CB-CD1 4.2Å; P515-Y808 HydrophobicContact CB-CE1 4.26Å; Y755-Y808 CarbonylContact C-O 3.54Å; Y755-Y808 WeakPolarHBondContact CA-O 3.2Å; V756-Y808 PolarHBondContact N-O 3.1Å; V756-Y808 PolarHBondContact O-N 2.97Å; K758-Y808 HydrophobicContact CB-CD2 4.44Å; K758-Y808 HydrophobicContact CB-CE2 4.04Å; K758-Y808 HydrophobicContact CD-CD2 3.88Å; K758-Y808 HydrophobicContact CD-CE2 3.47Å; K758-Y808 VanDerWaalsContact CD-CE2 3.47Å; K758-Y808 HydrophobicContact CG-CD2 3.89Å; K758-Y808 HydrophobicContact CG-CE2 3.77Å; L806-Y808 HydrophobicContact CB-CD2 4.49Å; L806-Y808 HydrophobicContact CB-CE2 3.69Å
809R90.2Very high74.5Confident89 Ų8961.2 Ų61.234%0.33634%0.338SS..EExtended strand (participates in β ladder)trans-138151.2177.268.5178.6-167.1-157.4-4.5112E514 V516 L754 Y755E514-R809 HydrophobicContact CB-CG 4.04Å; E514-R809 PolarHBondContact N-O 3.06Å; E514-R809 PolarHBondContact O-N 3.04Å; E514-R809 IonicContact OE2-CZ 3.84Å; E514-R809 IonicContact OE2-NE 2.77Å; E514-R809 PolarHBondContact OE2-NE 3.45Å; E514-R809 IonicContact OE2-NH2 2.79Å; E514-R809 PolarHBondContact OE2-NH2 3.17Å; V516-R809 HydrophobicContact CG2-CB 4.16Å; V516-R809 HydrophobicContact CG2-CG 4.36Å; L754-R809 CarbonylContact O-C 3.56Å; L754-R809 WeakPolarHBondContact O-CA 3.14Å; Y755-R809 HydrophobicContact CD1-CB 4.37Å; Y755-R809 HydrophobicContact CE1-CB 4.36Å
810Y89.5Confident76.9Confident4 Ų458.4 Ų58.42%0.01633%0.327CS..EExtended strand (participates in β ladder)trans-99.2111.9150.6-62.6-87.3000106.1P511 P513 Y744 L754 V756 A815 L819 M848P511-Y810 HydrophobicContact CG-CE1 4.09Å; P511-Y810 PolarHBondContact O-OH 3.48Å; P513-Y810 HydrophobicContact CB-CD1 4.48Å; P513-Y810 HydrophobicContact CB-CD2 4.16Å; P513-Y810 HydrophobicContact CB-CE1 4.09Å; P513-Y810 HydrophobicContact CB-CE2 3.74Å; P513-Y810 HydrophobicContact CG-CE2 4.47Å; Y744-Y810 AromaticContact CE1-CE2 3.93Å; Y744-Y810 HydrophobicContact CE1-CE2 3.93Å; L754-Y810 HydrophobicContact CD2-CD2 4.06Å; L754-Y810 HydrophobicContact CG-CD2 4.48Å; L754-Y810 PolarHBondContact N-O 3.08Å; L754-Y810 PolarHBondContact O-N 3.01Å; V756-Y810 HydrophobicContact CG2-CD2 4Å; V756-Y810 HydrophobicContact CG2-CE2 3.64Å; Y810-A815 HydrophobicContact CD1-CB 3.87Å; Y810-L819 HydrophobicContact CD2-CD2 4.03Å; Y810-L819 HydrophobicContact CE1-CB 4.2Å; Y810-L819 HydrophobicContact CE2-CD1 4.46Å; Y810-L819 HydrophobicContact CE2-CD2 3.69Å; Y810-L819 HydrophobicContact CE2-CG 4.47Å; Y810-M848 WeakPolarHBondContact O-CE 3.16Å
811G81.3Confident79.4Confident28 Ų2860.1 Ų60.129%0.28933%0.331SS..  trans-96.2-11.1-174.900000115.2
812N84.8Confident81.7Confident66 Ų6656 Ų5635%0.35330%0.298SS..SBendtrans-135.7156.6-173.466.673.7000112.7E514 A814 A815 F816E514-N812 PolarHBondContact OE1-ND2 3.36Å; N812-A814 VanDerWaalsContact C-N 3.33Å; N812-A814 PolarHBondContact O-N 3.06Å; N812-A814 PolarHBondContact OD1-N 3.07Å; N812-A815 PolarHBondContact O-N 3.49Å; N812-A815 WeakPolarHBondContact OD1-CB 3.46Å; N812-A815 PolarHBondContact OD1-N 3.26Å; N812-F816 PolarHBondContact O-N 3.26Å; N812-F816 VanDerWaalsContact O-N 3.14Å
813E88.8Confident83.9Confident88 Ų8848.9 Ų48.941%0.41126%0.259SS..Hα-helixtrans-62-36.4-175.3-176.6168.9-151.300113F816 D817 R841 I845E813-F816 PolarHBondContact O-N 2.95Å; E813-D817 PolarHBondContact O-N 3.07Å; E813-R841 IonicContact OE1-CZ 3.9Å; E813-R841 IonicContact OE1-NH1 2.72Å; E813-R841 PolarHBondContact OE1-NH1 2.98Å; E813-R841 IonicContact OE1-NH2 3.08Å; E813-R841 PolarHBondContact OE1-NH2 3.07Å; E813-I845 HydrophobicContact CB-CD1 3.8Å; E813-I845 HydrophobicContact CG-CD1 3.74Å; E813-I845 HydrophobicContact CG-CG1 4.12Å; E813-I845 HydrophobicContact CG-CG2 4.4Å
814A88.7Confident85.6Confident59 Ų5947.4 Ų47.449%0.48825%0.249SC..Hα-helixtrans-65.8-45.8-18000000112.2N812 F816 D817 Q818N812-A814 VanDerWaalsContact C-N 3.33Å; N812-A814 PolarHBondContact O-N 3.06Å; N812-A814 PolarHBondContact OD1-N 3.07Å; A814-F816 VanDerWaalsContact C-N 3.34Å; A814-D817 PolarHBondContact O-N 3.47Å; A814-Q818 VanDerWaalsContact O-CG 3.27Å; A814-Q818 WeakPolarHBondContact O-CG 3.38Å; A814-Q818 PolarHBondContact O-N 3.4Å
815A88.8Confident86.6Confident17 Ų1745.7 Ų45.714%0.1424%0.244CC..Hα-helixtrans-68-34.917800000111.7Y810 N812 L819Y810-A815 HydrophobicContact CD1-CB 3.87Å; N812-A815 PolarHBondContact O-N 3.49Å; N812-A815 WeakPolarHBondContact OD1-CB 3.46Å; N812-A815 PolarHBondContact OD1-N 3.26Å; A815-L819 PolarHBondContact O-N 3.05Å; A815-L819 VanDerWaalsContact O-N 3.13Å
816F90.9Very high87.1Confident0 Ų052.1 Ų52.10%027%0.272CS..Hα-helixtrans-62.4-48.1171.8176.6-87.9000112.6L754 N812 E813 A814 Q818 L819 V820 L837 R841 I844 I845 M848L754-F816 HydrophobicContact CD2-CD2 3.95Å; L754-F816 HydrophobicContact CD2-CE2 4.07Å; N812-F816 PolarHBondContact O-N 3.26Å; N812-F816 VanDerWaalsContact O-N 3.14Å; E813-F816 PolarHBondContact O-N 2.95Å; A814-F816 VanDerWaalsContact C-N 3.34Å; F816-Q818 VanDerWaalsContact C-N 3.34Å; F816-Q818 PolarHBondContact O-N 3.06Å; F816-L819 WeakPolarHBondContact O-CB 3.49Å; F816-L819 PolarHBondContact O-N 3.5Å; F816-V820 HydrophobicContact CD1-CG2 4.17Å; F816-V820 HydrophobicContact CE1-CG2 3.6Å; F816-V820 HydrophobicContact CE2-CG2 4.31Å; F816-V820 HydrophobicContact CZ-CG2 3.7Å; F816-V820 WeakPolarHBondContact O-CG2 3.33Å; F816-V820 PolarHBondContact O-N 3.11Å; F816-L837 HydrophobicContact CE2-CB 4.46Å; F816-L837 HydrophobicContact CE2-CD2 4.19Å; F816-L837 HydrophobicContact CZ-CB 4.19Å; F816-R841 HydrophobicContact CD1-CG 4.25Å; F816-R841 HydrophobicContact CE1-CB 3.82Å; F816-R841 HydrophobicContact CE1-CG 3.55Å; F816-R841 HydrophobicContact CZ-CB 4.03Å; F816-R841 HydrophobicContact CZ-CG 4.24Å; F816-I844 HydrophobicContact CD2-CG2 3.87Å; F816-I844 HydrophobicContact CE2-CB 4.35Å; F816-I844 HydrophobicContact CE2-CD1 3.6Å; F816-I844 HydrophobicContact CE2-CG2 3.93Å; F816-I844 HydrophobicContact CZ-CD1 4.13Å; F816-I845 HydrophobicContact CB-CD1 4.34Å; F816-I845 HydrophobicContact CD1-CD1 4.15Å; F816-I845 HydrophobicContact CG-CD1 4.23Å; F816-M848 HydrophobicContact CB-CE 4.35Å
817D90.6Very high87Confident49 Ų4948.4 Ų48.426%0.26225%0.252SS..Hα-helixtrans-68.1-33.9179.9-79.6-19.6000112E813 A814 V820 N821 R841E813-D817 PolarHBondContact O-N 3.07Å; A814-D817 PolarHBondContact O-N 3.47Å; D817-V820 PolarHBondContact O-N 3.29Å; D817-N821 WeakPolarHBondContact O-CB 3.19Å; D817-N821 VanDerWaalsContact O-CG 3.25Å; D817-N821 PolarHBondContact O-N 3.37Å; D817-N821 PolarHBondContact O-ND2 2.92Å; D817-R841 VanDerWaalsContact CG-NH2 3.33Å; D817-R841 IonicContact OD1-CZ 4Å; D817-R841 IonicContact OD1-NE 3.11Å; D817-R841 PolarHBondContact OD1-NE 3.06Å; D817-R841 IonicContact OD1-NH2 3.4Å; D817-R841 PolarHBondContact OD1-NH2 3.22Å; D817-R841 IonicContact OD2-CZ 2.66Å; D817-R841 IonicContact OD2-NE 3.57Å; D817-R841 IonicContact OD2-NH2 2.99Å; D817-R841 PolarHBondContact OD2-NH2 3.47Å
818Q90.9Very high86.5Confident114 Ų11452.9 Ų52.953%0.53327%0.269SS..Hα-helixtrans-59.1-45.9171.2-74.2173.121.900111.7P511 A814 F816 N821 A822P511-Q818 HydrophobicContact CB-CB 4.43Å; P511-Q818 HydrophobicContact CG-CB 4.18Å; A814-Q818 VanDerWaalsContact O-CG 3.27Å; A814-Q818 WeakPolarHBondContact O-CG 3.38Å; A814-Q818 PolarHBondContact O-N 3.4Å; F816-Q818 VanDerWaalsContact C-N 3.34Å; F816-Q818 PolarHBondContact O-N 3.06Å; Q818-N821 PolarHBondContact O-N 3.31Å; Q818-A822 PolarHBondContact O-N 3.08Å; Q818-A822 VanDerWaalsContact O-N 3.08Å
819L91.9Very high86.2Confident0 Ų052.5 Ų52.50%027%0.267CS..Hα-helixtrans-59.3-52.2175.1168.969.9000111.1P511 Y744 L754 Y810 A815 F816 N821 A822 L823 L837P511-L819 HydrophobicContact CG-CB 4Å; Y744-L819 HydrophobicContact CD1-CD2 4.14Å; Y744-L819 HydrophobicContact CE1-CD1 4.01Å; Y744-L819 HydrophobicContact CE1-CD2 3.58Å; Y744-L819 HydrophobicContact CE1-CG 4.42Å; L754-L819 HydrophobicContact CD2-CD2 3.7Å; Y810-L819 HydrophobicContact CD2-CD2 4.03Å; Y810-L819 HydrophobicContact CE1-CB 4.2Å; Y810-L819 HydrophobicContact CE2-CD1 4.46Å; Y810-L819 HydrophobicContact CE2-CD2 3.69Å; Y810-L819 HydrophobicContact CE2-CG 4.47Å; A815-L819 PolarHBondContact O-N 3.05Å; A815-L819 VanDerWaalsContact O-N 3.13Å; F816-L819 WeakPolarHBondContact O-CB 3.49Å; F816-L819 PolarHBondContact O-N 3.5Å; L819-N821 PolarHBondContact O-N 3.14Å; L819-A822 PolarHBondContact O-N 3.45Å; L819-A822 VanDerWaalsContact O-N 3.08Å; L819-L823 HydrophobicContact CD1-CD1 4.38Å; L819-L823 HydrophobicContact CD1-CG 4.32Å; L819-L823 HydrophobicContact CG-CD1 4.34Å; L819-L823 WeakPolarHBondContact O-CG 3.42Å; L819-L823 PolarHBondContact O-N 2.68Å; L819-L837 HydrophobicContact CD2-CD1 3.97Å; L819-L837 HydrophobicContact CG-CD1 4.49Å
820V90Very high86Confident13 Ų1348.3 Ų48.38%0.07925%0.251CS..Hα-helixtrans-59.4-36.3-178.2171.60000111.3F816 D817 K834 L837 I838F816-V820 HydrophobicContact CD1-CG2 4.17Å; F816-V820 HydrophobicContact CE1-CG2 3.6Å; F816-V820 HydrophobicContact CE2-CG2 4.31Å; F816-V820 HydrophobicContact CZ-CG2 3.7Å; F816-V820 WeakPolarHBondContact O-CG2 3.33Å; F816-V820 PolarHBondContact O-N 3.11Å; D817-V820 PolarHBondContact O-N 3.29Å; V820-K834 VanDerWaalsContact O-CE 3.25Å; V820-K834 WeakPolarHBondContact O-CE 3.15Å; V820-K834 PolarHBondContact O-NZ 3.3Å; V820-L837 HydrophobicContact CG2-CB 3.99Å; V820-L837 HydrophobicContact CG2-CD1 4.36Å; V820-I838 HydrophobicContact CG1-CD1 4.11Å; V820-I838 HydrophobicContact CG1-CG1 3.63Å
821N89.4Confident85.6Confident124 Ų12448.1 Ų48.166%0.66325%0.251SS*.Hα-helixtrans-67.7-40.4175.6-74.1-37.7000112.8D817 Q818 L819 L823 K834D817-N821 WeakPolarHBondContact O-CB 3.19Å; D817-N821 VanDerWaalsContact O-CG 3.25Å; D817-N821 PolarHBondContact O-N 3.37Å; D817-N821 PolarHBondContact O-ND2 2.92Å; Q818-N821 PolarHBondContact O-N 3.31Å; L819-N821 PolarHBondContact O-N 3.14Å; N821-L823 PolarHBondContact O-N 3.02Å; N821-K834 PolarHBondContact O-NZ 2.86Å
822A89.5Confident85.6Confident11 Ų1148.9 Ų48.99%0.09125%0.251CS..Hα-helixtrans-74.1-17.4-17700000115.8S508 L510 R739 Q818 L819S508-A822 PolarHBondContact OG-O 3.31Å; S508-A822 VanDerWaalsContact OG-O 3.07Å; L510-A822 HydrophobicContact CD2-CB 3.96Å; R739-A822 PolarHBondContact NH2-O 2.92Å; Q818-A822 PolarHBondContact O-N 3.08Å; Q818-A822 VanDerWaalsContact O-N 3.08Å; L819-A822 PolarHBondContact O-N 3.45Å; L819-A822 VanDerWaalsContact O-N 3.08Å
823L87.9Confident85.7Confident5 Ų545.8 Ų45.83%0.02623%0.234CC..SBendtrans-74.1146.3178.8-70.5169.9000113.6L510 D738 L819 N821 E830 L833 K834 L837L510-L823 HydrophobicContact CD2-CD2 4.02Å; D738-L823 HydrophobicContact CB-CD2 4.37Å; L819-L823 HydrophobicContact CD1-CD1 4.38Å; L819-L823 HydrophobicContact CD1-CG 4.32Å; L819-L823 HydrophobicContact CG-CD1 4.34Å; L819-L823 WeakPolarHBondContact O-CG 3.42Å; L819-L823 PolarHBondContact O-N 2.68Å; N821-L823 PolarHBondContact O-N 3.02Å; L823-E830 WeakPolarHBondContact CA-OE2 3.49Å; L823-E830 HydrophobicContact CD2-CB 4.16Å; L823-E830 HydrophobicContact CD2-CG 3.82Å; L823-L833 HydrophobicContact CD1-CD2 4.05Å; L823-L833 HydrophobicContact CD1-CG 4.02Å; L823-L833 HydrophobicContact CD2-CD2 4.02Å; L823-K834 HydrophobicContact CB-CB 4.01Å; L823-K834 HydrophobicContact CB-CD 3.98Å; L823-K834 HydrophobicContact CB-CG 4.2Å; L823-K834 HydrophobicContact CD1-CB 4.25Å; L823-K834 WeakPolarHBondContact O-CD 3.32Å; L823-K834 PolarHBondContact O-NZ 3.34Å; L823-L837 HydrophobicContact CD1-CD1 3.75Å
824L83.7Confident85.7Confident21 Ų2143.1 Ų43.111%0.1122%0.221CC..  trans-87122.9-177.7-64.3166000113.2D501 I504 Q507 K826 G827 E830 G831D501-L824 HydrophobicContact CB-CD1 4.29Å; D501-L824 WeakPolarHBondContact O-CD1 3.05Å; I504-L824 HydrophobicContact CB-CD1 4.11Å; I504-L824 HydrophobicContact CD1-CB 4.46Å; I504-L824 HydrophobicContact CD1-CD1 4.36Å; I504-L824 HydrophobicContact CG2-CD1 4.41Å; I504-L824 HydrophobicContact CG2-CD2 3.99Å; Q507-L824 HydrophobicContact CG-CD1 4.36Å; L824-K826 PolarHBondContact O-N 3.36Å; L824-G827 PolarHBondContact O-N 3.22Å; L824-E830 HydrophobicContact CB-CB 4.14Å; L824-E830 WeakPolarHBondContact CB-OE2 2.94Å; L824-E830 WeakPolarHBondContact CG-OE2 3.31Å; L824-E830 PolarHBondContact N-OE2 2.74Å; L824-E830 CarbonylContact O-C 3.59Å; L824-E830 VanDerWaalsContact O-C 3.32Å; L824-G831 WeakPolarHBondContact O-CA 3.36Å; L824-G831 PolarHBondContact O-N 3.14Å; L824-G831 VanDerWaalsContact O-N 3.07Å
825L78.7Confident85.3Confident117 Ų11745.6 Ų45.661%0.61322%0.223SC*.THydrogen-bonded Turntrans-66.7-34-179.8-173.866.7000114G831L825-G831 WeakPolarHBondContact O-CA 3.46Å
826K75.2Confident85Confident146 Ų14646.8 Ų46.864%0.63523%0.228SC*.THydrogen-bonded Turntrans-87.6-3.1-179.1-71.6-170.2175.5-173.10114.1V499 I504 L824V499-K826 PolarHBondContact N-O 3.04Å; I504-K826 HydrophobicContact CD1-CB 3.9Å; L824-K826 PolarHBondContact O-N 3.36Å
827G79Confident84.8Confident0 Ų046.8 Ų46.80%023%0.228CC..BIsolated β-bridgetrans-66.8142.7-175.800000113.3V499 D501 L824 R829 G831 P832V499-G827 CarbonylContact O-C 3.39Å; V499-G827 WeakPolarHBondContact O-CA 3.41Å; D501-G827 WeakPolarHBondContact OD1-CA 3.46Å; L824-G827 PolarHBondContact O-N 3.22Å; G827-R829 VanDerWaalsContact C-N 3.31Å; G827-R829 PolarHBondContact O-N 3.02Å; G827-G831 WeakPolarHBondContact O-CA 3.46Å; G827-G831 PolarHBondContact O-N 2.84Å; G827-P832 WeakPolarHBondContact O-CD 3.42Å
828R77.2Confident84.6Confident110 Ų11049 Ų4942%0.41524%0.239SC..THydrogen-bonded Turntrans-58.6-41.4173.6-169.7178.7176.8-160.6-4.4111.7K498 V499 E500 D501 D770 P832K498-R828 HydrophobicContact CB-CB 4.48Å; V499-R828 PolarHBondContact O-N 3.25Å; E500-R828 WeakPolarHBondContact OE1-CD 3.12Å; E500-R828 IonicContact OE1-CZ 3.4Å; E500-R828 IonicContact OE1-NE 3.98Å; E500-R828 IonicContact OE1-NH1 2.75Å; E500-R828 PolarHBondContact OE1-NH1 3.07Å; D501-R828 PolarHBondContact OD1-N 3.25Å; D770-R828 IonicContact OD1-NH2 3.93Å; D770-R828 PolarHBondContact OD1-NH2 2.84Å; D770-R828 IonicContact OD2-NH2 3.41Å; R828-P832 WeakPolarHBondContact O-CD 3.21Å; R828-P832 VanDerWaalsContact O-CG 3.25Å; R828-P832 WeakPolarHBondContact O-CG 3.44Å
829R83.2Confident83.9Confident42 Ų4245.9 Ų45.916%0.15823%0.233CC..THydrogen-bonded Turntrans-102.6-44.1179-63.3167.6-67.1160.69.6112D501 M737 R739 G827 P832 L833D501-R829 PolarHBondContact OD1-N 3.01Å; D501-R829 IonicContact OD2-CZ 3.49Å; D501-R829 IonicContact OD2-NE 2.69Å; D501-R829 PolarHBondContact OD2-NE 3.15Å; D501-R829 IonicContact OD2-NH2 2.98Å; D501-R829 PolarHBondContact OD2-NH2 2.85Å; M737-R829 CarbonylContact O-C 3.57Å; R739-R829 PolarHBondContact O-NH2 3.32Å; G827-R829 VanDerWaalsContact C-N 3.31Å; G827-R829 PolarHBondContact O-N 3.02Å; R829-P832 VanDerWaalsContact O-CD 3.28Å; R829-P832 WeakPolarHBondContact O-CD 3.28Å; R829-P832 WeakPolarHBondContact O-CG 3.36Å; R829-L833 PolarHBondContact O-N 3.35Å
830E85.2Confident83.5Confident0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-72.4-31.6-177-69.7-161.2173.700113.7D501 R739 L823 L824 L833 K834D501-E830 HydrophobicContact CB-CG 4.41Å; D501-E830 PolarHBondContact OD1-N 3.29Å; R739-E830 VanDerWaalsContact CB-OE1 3.26Å; R739-E830 WeakPolarHBondContact CB-OE1 3.33Å; R739-E830 WeakPolarHBondContact CG-OE1 3.47Å; R739-E830 IonicContact CZ-OE1 2.71Å; R739-E830 IonicContact CZ-OE2 3.32Å; R739-E830 PolarHBondContact N-OE1 3.31Å; R739-E830 IonicContact NE-OE1 2.64Å; R739-E830 PolarHBondContact NE-OE1 2.85Å; R739-E830 IonicContact NE-OE2 2.64Å; R739-E830 PolarHBondContact NE-OE2 3.1Å; R739-E830 IonicContact NH2-OE1 3.63Å; R739-E830 PolarHBondContact NH2-OE1 3.38Å; R739-E830 IonicContact NH2-OE2 3.75Å; R739-E830 PolarHBondContact NH2-OE2 2.88Å; L823-E830 WeakPolarHBondContact CA-OE2 3.49Å; L823-E830 HydrophobicContact CD2-CB 4.16Å; L823-E830 HydrophobicContact CD2-CG 3.82Å; L824-E830 HydrophobicContact CB-CB 4.14Å; L824-E830 WeakPolarHBondContact CB-OE2 2.94Å; L824-E830 WeakPolarHBondContact CG-OE2 3.31Å; L824-E830 PolarHBondContact N-OE2 2.74Å; L824-E830 CarbonylContact O-C 3.59Å; L824-E830 VanDerWaalsContact O-C 3.32Å; E830-L833 PolarHBondContact O-N 3.25Å; E830-K834 VanDerWaalsContact O-CB 3.24Å; E830-K834 WeakPolarHBondContact O-CB 3.29Å; E830-K834 PolarHBondContact O-N 2.71Å
831G82.7Confident83.3Confident0 Ų048.9 Ų48.90%024%0.243CC..Hα-helixtrans-58.6-57.117600000112.5L824 L825 G827 L833 K834 E835L824-G831 WeakPolarHBondContact O-CA 3.36Å; L824-G831 PolarHBondContact O-N 3.14Å; L824-G831 VanDerWaalsContact O-N 3.07Å; L825-G831 WeakPolarHBondContact O-CA 3.46Å; G827-G831 WeakPolarHBondContact O-CA 3.46Å; G827-G831 PolarHBondContact O-N 2.84Å; G831-L833 PolarHBondContact O-N 2.76Å; G831-K834 PolarHBondContact O-N 3.23Å; G831-E835 PolarHBondContact O-N 2.81Å
832P81.6Confident83Confident44 Ų4446.2 Ų46.229%0.28623%0.232SC..Hα-helixtrans-60.8-41.6174.315.3-21000113G827 R828 R829 K834 E835 V836G827-P832 WeakPolarHBondContact O-CD 3.42Å; R828-P832 WeakPolarHBondContact O-CD 3.21Å; R828-P832 VanDerWaalsContact O-CG 3.25Å; R828-P832 WeakPolarHBondContact O-CG 3.44Å; R829-P832 VanDerWaalsContact O-CD 3.28Å; R829-P832 WeakPolarHBondContact O-CD 3.28Å; R829-P832 WeakPolarHBondContact O-CG 3.36Å; P832-K834 PolarHBondContact O-N 2.89Å; P832-E835 PolarHBondContact O-N 2.83Å; P832-V836 WeakPolarHBondContact O-CG2 3.4Å; P832-V836 PolarHBondContact O-N 3.45Å
833L85.7Confident82.6Confident1 Ų147.1 Ų47.11%0.00524%0.235CC..Hα-helixtrans-57.4-47.5176.3176.861.3000111.5I735 D738 Y744 L823 R829 E830 G831 V836 L837I735-L833 HydrophobicContact CB-CD1 4.49Å; I735-L833 HydrophobicContact CG2-CD1 4.34Å; D738-L833 HydrophobicContact CB-CD2 4.47Å; Y744-L833 HydrophobicContact CD2-CD1 4.29Å; Y744-L833 HydrophobicContact CD2-CD2 3.66Å; Y744-L833 HydrophobicContact CE2-CD2 3.85Å; Y744-L833 HydrophobicContact CG-CD1 4.1Å; Y744-L833 HydrophobicContact CG-CD2 4.15Å; L823-L833 HydrophobicContact CD1-CD2 4.05Å; L823-L833 HydrophobicContact CD1-CG 4.02Å; L823-L833 HydrophobicContact CD2-CD2 4.02Å; R829-L833 PolarHBondContact O-N 3.35Å; E830-L833 PolarHBondContact O-N 3.25Å; G831-L833 PolarHBondContact O-N 2.76Å; L833-V836 PolarHBondContact O-N 3.33Å; L833-L837 HydrophobicContact CD1-CD1 3.86Å; L833-L837 HydrophobicContact CD1-CD2 4.36Å; L833-L837 HydrophobicContact CD1-CG 3.87Å; L833-L837 HydrophobicContact CG-CD1 3.93Å; L833-L837 HydrophobicContact CG-CG 4.31Å; L833-L837 WeakPolarHBondContact O-CB 2.94Å; L833-L837 WeakPolarHBondContact O-CG 3.23Å; L833-L837 PolarHBondContact O-N 3.23Å
834K89.5Confident82.3Confident32 Ų3246.9 Ų46.914%0.13923%0.234CC..Hα-helixtrans-62.7-43.2178.4-171.9173.6-176.1123.10112.1V820 N821 L823 E830 G831 P832 V836 I838V820-K834 VanDerWaalsContact O-CE 3.25Å; V820-K834 WeakPolarHBondContact O-CE 3.15Å; V820-K834 PolarHBondContact O-NZ 3.3Å; N821-K834 PolarHBondContact O-NZ 2.86Å; L823-K834 HydrophobicContact CB-CB 4.01Å; L823-K834 HydrophobicContact CB-CD 3.98Å; L823-K834 HydrophobicContact CB-CG 4.2Å; L823-K834 HydrophobicContact CD1-CB 4.25Å; L823-K834 WeakPolarHBondContact O-CD 3.32Å; L823-K834 PolarHBondContact O-NZ 3.34Å; E830-K834 VanDerWaalsContact O-CB 3.24Å; E830-K834 WeakPolarHBondContact O-CB 3.29Å; E830-K834 PolarHBondContact O-N 2.71Å; G831-K834 PolarHBondContact O-N 3.23Å; P832-K834 PolarHBondContact O-N 2.89Å; K834-V836 VanDerWaalsContact C-N 3.33Å; K834-V836 PolarHBondContact O-N 2.93Å; K834-I838 HydrophobicContact CG-CD1 3.89Å; K834-I838 WeakPolarHBondContact O-CB 3.3Å; K834-I838 WeakPolarHBondContact O-CD1 3.26Å; K834-I838 WeakPolarHBondContact O-CG1 3.46Å; K834-I838 PolarHBondContact O-N 3.12Å
835E80.7Confident82.4Confident112 Ų11246.4 Ų46.452%0.52323%0.232SC..Hα-helixtrans-59.1-43.1174.9-77-173.1-165.600112.2G831 P832 A839G831-E835 PolarHBondContact O-N 2.81Å; P832-E835 PolarHBondContact O-N 2.83Å; E835-A839 PolarHBondContact O-N 2.78Å; E835-A839 VanDerWaalsContact O-N 3.16Å
836V81.9Confident82.6Confident42 Ų4246.2 Ų46.226%0.25523%0.231SC..Hα-helixtrans-74.8-42.3-178.2-177.70000111.6I735 P832 L833 K834 I838 A839 L840I735-V836 HydrophobicContact CG2-CB 3.9Å; I735-V836 HydrophobicContact CG2-CG1 3.34Å; P832-V836 WeakPolarHBondContact O-CG2 3.4Å; P832-V836 PolarHBondContact O-N 3.45Å; L833-V836 PolarHBondContact O-N 3.33Å; K834-V836 VanDerWaalsContact C-N 3.33Å; K834-V836 PolarHBondContact O-N 2.93Å; V836-I838 VanDerWaalsContact C-N 3.33Å; V836-I838 PolarHBondContact O-N 2.9Å; V836-A839 CarbonylContact O-C 3.56Å; V836-A839 PolarHBondContact O-N 2.99Å; V836-A839 VanDerWaalsContact O-N 3.08Å; V836-L840 HydrophobicContact CG1-CD1 3.67Å; V836-L840 HydrophobicContact CG1-CG 4.02Å; V836-L840 WeakPolarHBondContact O-CB 2.88Å; V836-L840 WeakPolarHBondContact O-CG 3.44Å; V836-L840 PolarHBondContact O-N 2.91Å
837L86.4Confident82.7Confident0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-60.2-41.4174.7-68.7178.3000111.7I735 L754 F816 L819 V820 L823 L833 A839 L840 R841 I844I735-L837 HydrophobicContact CD1-CD2 4.39Å; L754-L837 HydrophobicContact CD1-CD2 3.91Å; L754-L837 HydrophobicContact CD2-CD2 3.91Å; F816-L837 HydrophobicContact CE2-CB 4.46Å; F816-L837 HydrophobicContact CE2-CD2 4.19Å; F816-L837 HydrophobicContact CZ-CB 4.19Å; L819-L837 HydrophobicContact CD2-CD1 3.97Å; L819-L837 HydrophobicContact CG-CD1 4.49Å; V820-L837 HydrophobicContact CG2-CB 3.99Å; V820-L837 HydrophobicContact CG2-CD1 4.36Å; L823-L837 HydrophobicContact CD1-CD1 3.75Å; L833-L837 HydrophobicContact CD1-CD1 3.86Å; L833-L837 HydrophobicContact CD1-CD2 4.36Å; L833-L837 HydrophobicContact CD1-CG 3.87Å; L833-L837 HydrophobicContact CG-CD1 3.93Å; L833-L837 HydrophobicContact CG-CG 4.31Å; L833-L837 WeakPolarHBondContact O-CB 2.94Å; L833-L837 WeakPolarHBondContact O-CG 3.23Å; L833-L837 PolarHBondContact O-N 3.23Å; L837-A839 VanDerWaalsContact C-N 3.31Å; L837-A839 PolarHBondContact O-N 2.9Å; L837-L840 PolarHBondContact O-N 3.38Å; L837-R841 PolarHBondContact O-N 3.05Å; L837-I844 HydrophobicContact CD2-CD1 4.16Å
838I86.2Confident82.8Confident94 Ų9441.4 Ų41.448%0.48221%0.213SC..Hα-helixtrans-61.9-37.7174.1-70.2167.9000111.5V820 K834 V836V820-I838 HydrophobicContact CG1-CD1 4.11Å; V820-I838 HydrophobicContact CG1-CG1 3.63Å; K834-I838 HydrophobicContact CG-CD1 3.89Å; K834-I838 WeakPolarHBondContact O-CB 3.3Å; K834-I838 WeakPolarHBondContact O-CD1 3.26Å; K834-I838 WeakPolarHBondContact O-CG1 3.46Å; K834-I838 PolarHBondContact O-N 3.12Å; V836-I838 VanDerWaalsContact C-N 3.33Å; V836-I838 PolarHBondContact O-N 2.9Å
839A76.4Confident82.5Confident49 Ų4941.4 Ų41.441%0.40522%0.22SC..Hα-helixtrans-73.4-33.1176.500000113.3E835 V836 L837E835-A839 PolarHBondContact O-N 2.78Å; E835-A839 VanDerWaalsContact O-N 3.16Å; V836-A839 CarbonylContact O-C 3.56Å; V836-A839 PolarHBondContact O-N 2.99Å; V836-A839 VanDerWaalsContact O-N 3.08Å; L837-A839 VanDerWaalsContact C-N 3.31Å; L837-A839 PolarHBondContact O-N 2.9Å
840L82.7Confident81.2Confident1 Ų142.9 Ų42.91%0.00524%0.237CC..Hα-helixtrans-86.2-16.9-179.8-70178.9000113.8R721 I735 F746 V836 L837 P842 N843 I844R721-L840 HydrophobicContact CG-CD2 3.8Å; I735-L840 HydrophobicContact CD1-CD1 4.18Å; I735-L840 HydrophobicContact CG2-CD1 4.11Å; F746-L840 HydrophobicContact CD1-CD1 4.46Å; V836-L840 HydrophobicContact CG1-CD1 3.67Å; V836-L840 HydrophobicContact CG1-CG 4.02Å; V836-L840 WeakPolarHBondContact O-CB 2.88Å; V836-L840 WeakPolarHBondContact O-CG 3.44Å; V836-L840 PolarHBondContact O-N 2.91Å; L837-L840 PolarHBondContact O-N 3.38Å; L840-P842 VanDerWaalsContact C-N 3.32Å; L840-P842 WeakPolarHBondContact O-CD 3.4Å; L840-N843 WeakPolarHBondContact O-CB 3.33Å; L840-N843 PolarHBondContact O-N 2.95Å; L840-I844 HydrophobicContact CB-CD1 3.72Å; L840-I844 HydrophobicContact CB-CG1 4.2Å; L840-I844 PolarHBondContact O-N 2.65Å; L840-I844 VanDerWaalsContact O-N 3.14Å
841R86.7Confident79.6Confident76 Ų7652.4 Ų52.429%0.28727%0.273SS..Hα-helixtrans-38.7-49.5-178.2-175.7178.8-166.6-6710.3114.4E813 F816 D817 L837 N843 I844 I845E813-R841 IonicContact OE1-CZ 3.9Å; E813-R841 IonicContact OE1-NH1 2.72Å; E813-R841 PolarHBondContact OE1-NH1 2.98Å; E813-R841 IonicContact OE1-NH2 3.08Å; E813-R841 PolarHBondContact OE1-NH2 3.07Å; F816-R841 HydrophobicContact CD1-CG 4.25Å; F816-R841 HydrophobicContact CE1-CB 3.82Å; F816-R841 HydrophobicContact CE1-CG 3.55Å; F816-R841 HydrophobicContact CZ-CB 4.03Å; F816-R841 HydrophobicContact CZ-CG 4.24Å; D817-R841 VanDerWaalsContact CG-NH2 3.33Å; D817-R841 IonicContact OD1-CZ 4Å; D817-R841 IonicContact OD1-NE 3.11Å; D817-R841 PolarHBondContact OD1-NE 3.06Å; D817-R841 IonicContact OD1-NH2 3.4Å; D817-R841 PolarHBondContact OD1-NH2 3.22Å; D817-R841 IonicContact OD2-CZ 2.66Å; D817-R841 IonicContact OD2-NE 3.57Å; D817-R841 IonicContact OD2-NH2 2.99Å; D817-R841 PolarHBondContact OD2-NH2 3.47Å; L837-R841 PolarHBondContact O-N 3.05Å; R841-N843 PolarHBondContact O-N 3.37Å; R841-I844 PolarHBondContact O-N 3.03Å; R841-I845 HydrophobicContact CG-CG1 3.94Å; R841-I845 WeakPolarHBondContact O-CG1 3.37Å; R841-I845 PolarHBondContact O-N 3Å
842P82.9Confident77.5Confident67 Ų6758.3 Ų58.344%0.43530%0.304SS..Hα-helixtrans-72-12.4-177.20.312.3000114.3R721 L840 N846R721-P842 VanDerWaalsContact NH2-CB 3.27Å; L840-P842 VanDerWaalsContact C-N 3.32Å; L840-P842 WeakPolarHBondContact O-CD 3.4Å; P842-N846 VanDerWaalsContact O-CB 3.25Å; P842-N846 WeakPolarHBondContact O-CB 3.19Å; P842-N846 PolarHBondContact O-ND2 2.83Å; P842-N846 PolarHBondContact O-OD1 3.42Å
843N80Confident75.8Confident31 Ų3161 Ų6117%0.16631%0.313CS..Hα-helixtrans-89.6-44.7173.1-85.4-3.9000109.3R721 Q725 F746 L840 R841 N846 S847R721-N843 PolarHBondContact NE-ND2 3.5Å; R721-N843 PolarHBondContact NH1-OD1 2.87Å; R721-N843 PolarHBondContact NH2-OD1 3.27Å; Q725-N843 PolarHBondContact NE2-ND2 2.79Å; Q725-N843 PolarHBondContact OE1-ND2 2.75Å; Q725-N843 VanDerWaalsContact OE1-ND2 3.16Å; F746-N843 HydrophobicContact CE1-CB 3.91Å; F746-N843 HydrophobicContact CZ-CB 3.77Å; L840-N843 WeakPolarHBondContact O-CB 3.33Å; L840-N843 PolarHBondContact O-N 2.95Å; R841-N843 PolarHBondContact O-N 3.37Å; N843-N846 PolarHBondContact O-N 3.02Å; N843-S847 PolarHBondContact O-N 3.41Å
844I82.7Confident73.3Confident0 Ų066.9 Ų66.90%035%0.349CS..Hα-helixtrans-60-51.3178.2-63.6170.5000109.7F746 L754 F816 L837 L840 R841 N846 S847 M848F746-I844 HydrophobicContact CD1-CG1 4.43Å; F746-I844 HydrophobicContact CD2-CG1 3.7Å; F746-I844 HydrophobicContact CE2-CB 4.49Å; F746-I844 HydrophobicContact CE2-CG1 3.91Å; F746-I844 HydrophobicContact CG-CG1 3.98Å; F746-I844 HydrophobicContact CZ-CG1 4.37Å; L754-I844 HydrophobicContact CB-CG2 4.14Å; L754-I844 HydrophobicContact CD1-CD1 4.27Å; F816-I844 HydrophobicContact CD2-CG2 3.87Å; F816-I844 HydrophobicContact CE2-CB 4.35Å; F816-I844 HydrophobicContact CE2-CD1 3.6Å; F816-I844 HydrophobicContact CE2-CG2 3.93Å; F816-I844 HydrophobicContact CZ-CD1 4.13Å; L837-I844 HydrophobicContact CD2-CD1 4.16Å; L840-I844 HydrophobicContact CB-CD1 3.72Å; L840-I844 HydrophobicContact CB-CG1 4.2Å; L840-I844 PolarHBondContact O-N 2.65Å; L840-I844 VanDerWaalsContact O-N 3.14Å; R841-I844 PolarHBondContact O-N 3.03Å; I844-N846 PolarHBondContact O-N 3.08Å; I844-S847 PolarHBondContact O-N 3.21Å; I844-S847 VanDerWaalsContact O-N 3.14Å; I844-S847 PolarHBondContact O-OG 2.81Å; I844-M848 HydrophobicContact CG2-CE 3.62Å; I844-M848 HydrophobicContact CG2-SD 4.2Å; I844-M848 WeakPolarHBondContact O-CG 2.99Å; I844-M848 PolarHBondContact O-N 3.3Å; I844-M848 VanDerWaalsContact O-N 3.09Å
845I85.2Confident70.8Confident11 Ų1174.1 Ų74.16%0.05638%0.381CS..Hα-helixtrans-64.4-40.7177.4-57.1-45000111.6E813 F816 R841 S847 M848 I849E813-I845 HydrophobicContact CB-CD1 3.8Å; E813-I845 HydrophobicContact CG-CD1 3.74Å; E813-I845 HydrophobicContact CG-CG1 4.12Å; E813-I845 HydrophobicContact CG-CG2 4.4Å; F816-I845 HydrophobicContact CB-CD1 4.34Å; F816-I845 HydrophobicContact CD1-CD1 4.15Å; F816-I845 HydrophobicContact CG-CD1 4.23Å; R841-I845 HydrophobicContact CG-CG1 3.94Å; R841-I845 WeakPolarHBondContact O-CG1 3.37Å; R841-I845 PolarHBondContact O-N 3Å; I845-S847 VanDerWaalsContact C-N 3.25Å; I845-S847 PolarHBondContact O-N 3.41Å; I845-M848 HydrophobicContact CD1-SD 3.52Å; I845-M848 VanDerWaalsContact CD1-SD 3.52Å; I845-M848 WeakPolarHBondContact O-CB 3.24Å; I845-M848 PolarHBondContact O-N 3.45Å; I845-I849 HydrophobicContact CG2-CD1 4.16Å; I845-I849 HydrophobicContact CG2-CG1 4.44Å; I845-I849 WeakPolarHBondContact O-CG1 3.38Å; I845-I849 PolarHBondContact O-N 3.26Å
846N82.4Confident68.6Low112 Ų11277 Ų7760%0.59939%0.394SS*.Hα-helixtrans-63.5-28.7175.3-76.18.3000113.3P842 N843 I844P842-N846 VanDerWaalsContact O-CB 3.25Å; P842-N846 WeakPolarHBondContact O-CB 3.19Å; P842-N846 PolarHBondContact O-ND2 2.83Å; P842-N846 PolarHBondContact O-OD1 3.42Å; N843-N846 PolarHBondContact O-N 3.02Å; I844-N846 PolarHBondContact O-N 3.08Å
847S78Confident66.5Low13 Ų1380.4 Ų80.49%0.09141%0.41CS..Hα-helixtrans-75-28172.576.40000112.8P752 G753 N843 I844 I845P752-S847 WeakPolarHBondContact CA-O 3.3Å; P752-S847 WeakPolarHBondContact CB-O 3Å; G753-S847 PolarHBondContact N-OG 3.39Å; N843-S847 PolarHBondContact O-N 3.41Å; I844-S847 PolarHBondContact O-N 3.21Å; I844-S847 VanDerWaalsContact O-N 3.14Å; I844-S847 PolarHBondContact O-OG 2.81Å; I845-S847 VanDerWaalsContact C-N 3.25Å; I845-S847 PolarHBondContact O-N 3.41Å
848M80.8Confident64.1Low32 Ų3284.8 Ų84.816%0.15844%0.44CS..Hα-helixtrans-79.6-28.5177.4-67164.9167.700113Y810 F816 I844 I845 S850Y810-M848 WeakPolarHBondContact O-CE 3.16Å; F816-M848 HydrophobicContact CB-CE 4.35Å; I844-M848 HydrophobicContact CG2-CE 3.62Å; I844-M848 HydrophobicContact CG2-SD 4.2Å; I844-M848 WeakPolarHBondContact O-CG 2.99Å; I844-M848 PolarHBondContact O-N 3.3Å; I844-M848 VanDerWaalsContact O-N 3.09Å; I845-M848 HydrophobicContact CD1-SD 3.52Å; I845-M848 VanDerWaalsContact CD1-SD 3.52Å; I845-M848 WeakPolarHBondContact O-CB 3.24Å; I845-M848 PolarHBondContact O-N 3.45Å; M848-S850 VanDerWaalsContact C-N 3.34Å; M848-S850 PolarHBondContact O-N 3.16Å
849I70.7Confident61.7Low110 Ų11089.1 Ų89.156%0.56446%0.456SS*.SBendtrans-67.898.7174.9-66.3165.8000106.9I845 R851I845-I849 HydrophobicContact CG2-CD1 4.16Å; I845-I849 HydrophobicContact CG2-CG1 4.44Å; I845-I849 WeakPolarHBondContact O-CG1 3.38Å; I845-I849 PolarHBondContact O-N 3.26Å; I849-R851 PolarHBondContact O-N 3.47Å; I849-R851 VanDerWaalsContact O-N 3.15Å
850S55.8Low59.8Low74 Ų7492 Ų9252%0.51747%0.472SS..  trans-40.9120.4178.8-173.50000110.4M848 D852M848-S850 VanDerWaalsContact C-N 3.34Å; M848-S850 PolarHBondContact O-N 3.16Å; S850-D852 WeakPolarHBondContact CB-OD1 3.41Å; S850-D852 PolarHBondContact O-N 3.19Å; S850-D852 PolarHBondContact OG-N 2.83Å; S850-D852 PolarHBondContact OG-OD1 2.92Å
851R52.2Low58Low200 Ų200100 Ų10076%0.75551%0.51SS*.  trans-65.197.1143.5-71.7-163-175.4-178.13.9105.1I849 E853I849-R851 PolarHBondContact O-N 3.47Å; I849-R851 VanDerWaalsContact O-N 3.15Å; R851-E853 HydrophobicContact CB-CG 4.12Å; R851-E853 WeakPolarHBondContact CD-OE1 3.4Å; R851-E853 IonicContact CZ-OE1 2.65Å; R851-E853 IonicContact NE-OE1 3.24Å; R851-E853 IonicContact NH1-OE1 3.35Å; R851-E853 PolarHBondContact NH1-OE1 3.2Å; R851-E853 PolarHBondContact O-N 3.14Å
852D39.8Very low56Low124 Ų124102.4 Ų102.466%0.66353%0.533SS*.  trans-66.875.2166.5-85-6000108.1S850 T854S850-D852 WeakPolarHBondContact CB-OD1 3.41Å; S850-D852 PolarHBondContact O-N 3.19Å; S850-D852 PolarHBondContact OG-N 2.83Å; S850-D852 PolarHBondContact OG-OD1 2.92Å; D852-T854 PolarHBondContact O-N 3.29Å
853E45.3Very low54.6Low99 Ų99103.6 Ų103.646%0.46354%0.539SS..  trans-77.441.2165.8-74.6169.8-168.500109R851 K855R851-E853 HydrophobicContact CB-CG 4.12Å; R851-E853 WeakPolarHBondContact CD-OE1 3.4Å; R851-E853 IonicContact CZ-OE1 2.65Å; R851-E853 IonicContact NE-OE1 3.24Å; R851-E853 IonicContact NH1-OE1 3.35Å; R851-E853 PolarHBondContact NH1-OE1 3.2Å; R851-E853 PolarHBondContact O-N 3.14Å; E853-K855 PolarHBondContact O-N 3.45Å
854T33.5Very low53.9Low125 Ų125104 Ų10477%0.76754%0.544SS*.  trans-7357.4151.958.50000109.2D852D852-T854 PolarHBondContact O-N 3.29Å
855K35.9Very low53.7Low185 Ų185106.2 Ų106.280%0.80456%0.56SS**SBendtrans-111.7110.9152.3-80.2-172.5176.7177.80105.5E853 I857E853-K855 PolarHBondContact O-N 3.45Å; K855-I857 PolarHBondContact O-N 2.98Å
856E35.2Very low53.8Low173 Ų173106.9 Ų106.981%0.80856%0.562SS**  trans-47.4130.6179.8-60.8170.4135.800110.4S858E856-S858 PolarHBondContact O-N 3.24Å; E856-S858 PolarHBondContact O-OG 3.03Å
857I37.9Very low54.2Low112 Ų112103.1 Ų103.157%0.57454%0.54SS*.  trans-70.677.6170.1-58.6171.9000107.1K855K855-I857 PolarHBondContact O-N 2.98Å
858S35.1Very low54.8Low92 Ų92105.7 Ų105.764%0.64355%0.553SS**  trans-11236.9177.155.50000111.1E856E856-S858 PolarHBondContact O-N 3.24Å; E856-S858 PolarHBondContact O-OG 3.03Å
859K36.7Very low55.3Low186 Ų186105.5 Ų105.581%0.80955%0.552SS**  trans-113.777.6150.7-74.7-174.8-178.81750109.2Q861K859-Q861 PolarHBondContact O-N 3.43Å
860S36.3Very low56.4Low108 Ų108100.3 Ų100.376%0.75553%0.525SS*.  trans-62.977.5149.747.70000108.7T862S860-T862 PolarHBondContact O-N 3.13Å
861Q44.9Very low58.3Low170 Ų17098.4 Ų98.479%0.79451%0.508SS*.  trans-52.9114.5150-108.4-177.2-7.800104.7K859 V863K859-Q861 PolarHBondContact O-N 3.43Å; Q861-V863 PolarHBondContact O-N 3.44Å
862T44.5Very low60.3Low127 Ų12793.2 Ų93.278%0.77949%0.493SS*.  trans-60102.3-176.949.10000107.3S860 S864S860-T862 PolarHBondContact O-N 3.13Å; T862-S864 VanDerWaalsContact C-N 3.32Å; T862-S864 PolarHBondContact O-N 3.46Å
863V54Low62.9Low92 Ų9290.2 Ų90.256%0.55847%0.474SS*.  trans-60.6101.6178.1-178.60000105.6F568 V569 Q861 S865F568-V863 HydrophobicContact CD1-CG1 4.14Å; V569-V863 HydrophobicContact CG2-CG1 4.19Å; V569-V863 HydrophobicContact CG2-CG2 3.87Å; Q861-V863 PolarHBondContact O-N 3.44Å; V863-S865 PolarHBondContact O-N 3.24Å
864S64.6Low65.3Low38 Ų3885.5 Ų85.527%0.26645%0.452SS..  trans-60.6130.1173.910.50000105.6T862 M869T862-S864 VanDerWaalsContact C-N 3.32Å; T862-S864 PolarHBondContact O-N 3.46Å; S864-M869 VanDerWaalsContact OG-CE 3.31Å; S864-M869 WeakPolarHBondContact OG-CE 3.28Å
865S78.1Confident68.2Low47 Ų4780.6 Ų80.633%0.32942%0.42SS..  trans-60.1153.1178760000108.6V863 R867 D868 M869V863-S865 PolarHBondContact O-N 3.24Å; S865-R867 PolarHBondContact O-N 3.24Å; S865-R867 PolarHBondContact OG-N 2.89Å; S865-D868 VanDerWaalsContact CB-OD2 3.31Å; S865-D868 WeakPolarHBondContact CB-OD2 3.46Å; S865-D868 PolarHBondContact N-OD2 3.48Å; S865-D868 PolarHBondContact O-N 3.37Å; S865-D868 PolarHBondContact OG-N 3.16Å; S865-D868 VanDerWaalsContact OG-N 3.16Å; S865-D868 PolarHBondContact OG-OD2 3.43Å; S865-M869 PolarHBondContact O-N 3.12Å
866H87.5Confident70.9Confident25 Ų2575.8 Ų75.812%0.11640%0.401CS..Hα-helixtrans-48-36.3174.4-68.174.9000111.3F568 H659 F870 W972F568-H866 AromaticContact CD2-CE1 3.39Å; F568-H866 WeakPolarHBondContact CD2-CE1 3.33Å; F568-H866 AromaticContact CD2-NE2 3.47Å; F568-H866 WeakPolarHBondContact CD2-NE2 3.24Å; F568-H866 AromaticContact CE2-CE1 3.42Å; F568-H866 VanDerWaalsContact CE2-CE1 3.42Å; F568-H866 WeakPolarHBondContact CE2-CE1 3.43Å; F568-H866 AromaticContact CE2-NE2 3.07Å; F568-H866 WeakPolarHBondContact CE2-NE2 3.33Å; F568-H866 AromaticContact CG-CE1 3.87Å; F568-H866 AromaticContact CZ-CE1 3.94Å; F568-H866 AromaticContact CZ-NE2 3.69Å; H659-H866 AromaticContact CE1-CE1 3.45Å; H659-H866 PolarHBondContact CE1-CE1 3.4Å; H659-H866 VanDerWaalsContact CE1-CE1 3.45Å; H659-H866 AromaticContact CE1-NE2 3.97Å; H866-F870 WeakPolarHBondContact O-CB 3.36Å; H866-F870 PolarHBondContact O-N 3.12Å; H866-W972 HydrophobicContact CB-CB 3.94Å; H866-W972 HydrophobicContact CB-CD2 3.67Å; H866-W972 HydrophobicContact CB-CE3 4.28Å; H866-W972 HydrophobicContact CB-CG 3.49Å; H866-W972 VanDerWaalsContact CB-CG 3.49Å
867R91.5Very high73.6Confident33 Ų3367.8 Ų67.813%0.12536%0.363CS..Hα-helixtrans-65.1-46.2175.9178-97.6170.1-135.1-18.6113.1S865 F870 E871 T900 A902 F908 W972S865-R867 PolarHBondContact O-N 3.24Å; S865-R867 PolarHBondContact OG-N 2.89Å; R867-F870 PolarHBondContact O-N 3.49Å; R867-E871 IonicContact CZ-OE2 3.03Å; R867-E871 IonicContact NH1-OE2 3.41Å; R867-E871 PolarHBondContact NH1-OE2 3.28Å; R867-E871 IonicContact NH2-OE2 3.92Å; R867-E871 PolarHBondContact NH2-OE2 3.43Å; R867-E871 WeakPolarHBondContact O-CB 3.48Å; R867-E871 PolarHBondContact O-N 3.06Å; R867-T900 PolarHBondContact NH2-O 3.2Å; R867-T900 VanDerWaalsContact NH2-O 3.09Å; R867-A902 VanDerWaalsContact CZ-O 3.27Å; R867-A902 PolarHBondContact NE-O 2.92Å; R867-A902 PolarHBondContact NH2-O 3.1Å; R867-F908 HydrophobicContact CG-CE2 3.81Å; R867-F908 HydrophobicContact CG-CZ 4.03Å; R867-W972 HydrophobicContact CB-CH2 3.57Å; R867-W972 HydrophobicContact CB-CZ2 3.76Å; R867-W972 HydrophobicContact CB-CZ3 4.32Å; R867-W972 HydrophobicContact CG-CH2 3.95Å; R867-W972 HydrophobicContact CG-CZ2 4.42Å
868D90.7Very high76.1Confident67 Ų6762.4 Ų62.436%0.35834%0.336SS..Hα-helixtrans-72.2-40.7-177.9-52.9-45000111.6S865 F870 E871 Q872S865-D868 VanDerWaalsContact CB-OD2 3.31Å; S865-D868 WeakPolarHBondContact CB-OD2 3.46Å; S865-D868 PolarHBondContact N-OD2 3.48Å; S865-D868 PolarHBondContact O-N 3.37Å; S865-D868 PolarHBondContact OG-N 3.16Å; S865-D868 VanDerWaalsContact OG-N 3.16Å; S865-D868 PolarHBondContact OG-OD2 3.43Å; D868-F870 VanDerWaalsContact C-N 3.34Å; D868-E871 PolarHBondContact O-N 3.22Å; D868-Q872 WeakPolarHBondContact O-CB 3.15Å; D868-Q872 PolarHBondContact O-N 3.4Å
869M91.5Very high78.7Confident29 Ų2962 Ų6214%0.14332%0.324CS..Hα-helixtrans-66.1-38.2174.2-176.258.853.500111.4Y606 S864 S865 Q872 K873 F976Y606-M869 HydrophobicContact CD2-CG 4.09Å; Y606-M869 HydrophobicContact CE1-CB 3.98Å; Y606-M869 HydrophobicContact CE1-CG 4.09Å; Y606-M869 HydrophobicContact CE2-CB 4.34Å; Y606-M869 HydrophobicContact CE2-CG 3.6Å; S864-M869 VanDerWaalsContact OG-CE 3.31Å; S864-M869 WeakPolarHBondContact OG-CE 3.28Å; S865-M869 PolarHBondContact O-N 3.12Å; M869-Q872 PolarHBondContact O-N 3.1Å; M869-K873 HydrophobicContact CG-CG 4.41Å; M869-K873 WeakPolarHBondContact O-CB 3.12Å; M869-K873 VanDerWaalsContact O-CG 3.29Å; M869-K873 WeakPolarHBondContact O-CG 3.38Å; M869-K873 PolarHBondContact O-N 3.5Å; M869-K873 HydrophobicContact SD-CG 4.03Å; M869-F976 HydrophobicContact CB-CZ 4.13Å; M869-F976 HydrophobicContact CG-CE1 4.2Å; M869-F976 HydrophobicContact CG-CZ 3.98Å
870F94.5Very high81Confident0 Ų053.9 Ų53.90%029%0.292CS..Hα-helixtrans-68.4-41.3176.3-167.3-90.1000111.5H866 R867 D868 K873 L874 F908 L912 W972 L975 F976 M979H866-F870 WeakPolarHBondContact O-CB 3.36Å; H866-F870 PolarHBondContact O-N 3.12Å; R867-F870 PolarHBondContact O-N 3.49Å; D868-F870 VanDerWaalsContact C-N 3.34Å; F870-K873 PolarHBondContact O-N 3.01Å; F870-L874 HydrophobicContact CD1-CB 4.48Å; F870-L874 HydrophobicContact CE1-CB 4.22Å; F870-L874 HydrophobicContact CE1-CD2 4.01Å; F870-L874 WeakPolarHBondContact O-CB 3Å; F870-L874 PolarHBondContact O-N 2.88Å; F870-F908 HydrophobicContact CD1-CB 4.05Å; F870-F908 AromaticContact CD1-CD1 3.63Å; F870-F908 HydrophobicContact CD1-CD1 3.63Å; F870-F908 HydrophobicContact CD1-CE1 4.21Å; F870-F908 AromaticContact CD1-CG 3.85Å; F870-F908 HydrophobicContact CD1-CG 3.85Å; F870-F908 HydrophobicContact CE1-CB 3.8Å; F870-F908 AromaticContact CE1-CD1 3.93Å; F870-F908 HydrophobicContact CE1-CD1 3.93Å; F870-F908 HydrophobicContact CE1-CG 4.08Å; F870-L912 HydrophobicContact CZ-CD2 4.44Å; F870-W972 HydrophobicContact CB-CE3 4Å; F870-W972 HydrophobicContact CB-CZ3 3.81Å; F870-W972 HydrophobicContact CD1-CZ3 4.31Å; F870-W972 HydrophobicContact CG-CE3 4.24Å; F870-W972 HydrophobicContact CG-CZ3 4.08Å; F870-L975 HydrophobicContact CD1-CD2 4.23Å; F870-L975 HydrophobicContact CD2-CD2 4.36Å; F870-L975 HydrophobicContact CD2-CG 4.38Å; F870-L975 HydrophobicContact CE1-CD2 3.81Å; F870-L975 HydrophobicContact CE1-CG 4.21Å; F870-L975 HydrophobicContact CE2-CB 4.38Å; F870-L975 HydrophobicContact CE2-CD2 3.97Å; F870-L975 HydrophobicContact CE2-CG 3.64Å; F870-L975 HydrophobicContact CZ-CD1 4.22Å; F870-L975 HydrophobicContact CZ-CD2 3.68Å; F870-L975 HydrophobicContact CZ-CG 3.55Å; F870-F976 HydrophobicContact CB-CE1 4.14Å; F870-F976 HydrophobicContact CB-CE2 3.95Å; F870-F976 HydrophobicContact CB-CZ 3.59Å; F870-F976 AromaticContact CD2-CD1 3.76Å; F870-F976 HydrophobicContact CD2-CD1 3.76Å; F870-F976 AromaticContact CD2-CD2 3.93Å; F870-F976 HydrophobicContact CD2-CD2 3.93Å; F870-F976 AromaticContact CD2-CE1 3.74Å; F870-F976 HydrophobicContact CD2-CE1 3.74Å; F870-F976 AromaticContact CD2-CE2 3.9Å; F870-F976 HydrophobicContact CD2-CE2 3.9Å; F870-F976 AromaticContact CD2-CG 3.86Å; F870-F976 HydrophobicContact CD2-CG 3.86Å; F870-F976 AromaticContact CD2-CZ 3.82Å; F870-F976 HydrophobicContact CD2-CZ 3.82Å; F870-F976 HydrophobicContact CE2-CD1 4.32Å; F870-F976 HydrophobicContact CE2-CG 4.36Å; F870-F976 HydrophobicContact CG-CE1 4.41Å; F870-F976 HydrophobicContact CG-CE2 4.42Å; F870-F976 HydrophobicContact CG-CZ 4.22Å; F870-M979 HydrophobicContact CD2-CE 4.49Å; F870-M979 HydrophobicContact CE2-CB 4.2Å; F870-M979 HydrophobicContact CE2-CE 4.13Å; F870-M979 HydrophobicContact CE2-SD 3.93Å; F870-M979 HydrophobicContact CZ-CB 4.39Å; F870-M979 HydrophobicContact CZ-SD 4.07Å
871E95.3Very high83.4Confident34 Ų3448.8 Ų48.816%0.15926%0.257CS..Hα-helixtrans-55.4-54.1171.7-170.8-162.4142.300110.5R867 D868 K873 L874 L875 V899 T900 F908R867-E871 IonicContact CZ-OE2 3.03Å; R867-E871 IonicContact NH1-OE2 3.41Å; R867-E871 PolarHBondContact NH1-OE2 3.28Å; R867-E871 IonicContact NH2-OE2 3.92Å; R867-E871 PolarHBondContact NH2-OE2 3.43Å; R867-E871 WeakPolarHBondContact O-CB 3.48Å; R867-E871 PolarHBondContact O-N 3.06Å; D868-E871 PolarHBondContact O-N 3.22Å; E871-K873 PolarHBondContact O-N 3.3Å; E871-L874 PolarHBondContact O-N 3.03Å; E871-L875 HydrophobicContact CG-CD1 4Å; E871-L875 HydrophobicContact CG-CG 4.4Å; E871-L875 WeakPolarHBondContact O-CB 3.39Å; E871-L875 WeakPolarHBondContact O-CG 3.42Å; E871-L875 PolarHBondContact O-N 2.93Å; E871-V899 HydrophobicContact CG-CG1 3.76Å; E871-T900 WeakPolarHBondContact OE1-CG2 3.28Å; E871-F908 HydrophobicContact CB-CE1 4.14Å; E871-F908 HydrophobicContact CB-CZ 4.32Å; E871-F908 HydrophobicContact CG-CE1 4.48Å
872Q93.9Very high85.1Confident92 Ų9243.9 Ų43.943%0.4324%0.235SC..Hα-helixtrans-55.3-51.2179.5-178.6-175.5-16.400111.3D868 M869 L874 L875 E876D868-Q872 WeakPolarHBondContact O-CB 3.15Å; D868-Q872 PolarHBondContact O-N 3.4Å; M869-Q872 PolarHBondContact O-N 3.1Å; Q872-L874 PolarHBondContact O-N 3.23Å; Q872-L875 PolarHBondContact O-N 3.21Å; Q872-E876 HydrophobicContact CG-CG 4.45Å; Q872-E876 WeakPolarHBondContact CG-OE1 3.19Å; Q872-E876 PolarHBondContact NE2-OE1 3.2Å; Q872-E876 WeakPolarHBondContact O-CB 3.41Å; Q872-E876 VanDerWaalsContact O-CG 3.31Å; Q872-E876 WeakPolarHBondContact O-CG 3.47Å; Q872-E876 PolarHBondContact O-N 3.17Å
873K94.1Very high86.8Confident61 Ų6142.2 Ų42.227%0.26523%0.228SC..Hα-helixtrans-67.2-34.5-177.7-68.1-71153.2-149.60112.8M869 F870 E871 E876 F877 F976 M979M869-K873 HydrophobicContact CG-CG 4.41Å; M869-K873 WeakPolarHBondContact O-CB 3.12Å; M869-K873 VanDerWaalsContact O-CG 3.29Å; M869-K873 WeakPolarHBondContact O-CG 3.38Å; M869-K873 PolarHBondContact O-N 3.5Å; M869-K873 HydrophobicContact SD-CG 4.03Å; F870-K873 PolarHBondContact O-N 3.01Å; E871-K873 PolarHBondContact O-N 3.3Å; K873-E876 IonicContact NZ-OE1 2.93Å; K873-E876 PolarHBondContact NZ-OE1 3.43Å; K873-E876 IonicContact NZ-OE2 3.31Å; K873-E876 PolarHBondContact NZ-OE2 3.1Å; K873-F877 VanDerWaalsContact O-CB 3.31Å; K873-F877 WeakPolarHBondContact O-CB 3.4Å; K873-F877 PolarHBondContact O-N 2.81Å; K873-F976 HydrophobicContact CG-CE1 4.45Å; K873-M979 HydrophobicContact CB-CE 3.73Å; K873-M979 HydrophobicContact CB-SD 4.32Å
874L95.2Very high87.7Confident0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-69.9-42176.1-174.765.4000111.4F870 E871 Q872 F877 G878 W895 V899 F908 P911 L912 L915 M979F870-L874 HydrophobicContact CD1-CB 4.48Å; F870-L874 HydrophobicContact CE1-CB 4.22Å; F870-L874 HydrophobicContact CE1-CD2 4.01Å; F870-L874 WeakPolarHBondContact O-CB 3Å; F870-L874 PolarHBondContact O-N 2.88Å; E871-L874 PolarHBondContact O-N 3.03Å; Q872-L874 PolarHBondContact O-N 3.23Å; L874-F877 WeakPolarHBondContact O-CB 3.38Å; L874-F877 PolarHBondContact O-N 3.06Å; L874-G878 PolarHBondContact O-N 3.19Å; L874-W895 HydrophobicContact CD1-CZ2 4.24Å; L874-W895 HydrophobicContact CD2-CZ2 4.22Å; L874-W895 HydrophobicContact CG-CH2 4.05Å; L874-W895 HydrophobicContact CG-CZ2 3.93Å; L874-V899 HydrophobicContact CD2-CG1 4.02Å; L874-V899 HydrophobicContact CD2-CG2 3.72Å; L874-V899 HydrophobicContact CG-CG1 4.5Å; L874-V899 HydrophobicContact CG-CG2 4.48Å; L874-F908 HydrophobicContact CD2-CD1 4.16Å; L874-P911 HydrophobicContact CD2-CB 4.04Å; L874-L912 HydrophobicContact CD1-CB 4.46Å; L874-L912 HydrophobicContact CD1-CD1 3.96Å; L874-L915 HydrophobicContact CD1-CD1 4.02Å; L874-M979 HydrophobicContact CB-SD 4.47Å; L874-M979 HydrophobicContact CD1-SD 4.4Å
875L94.3Very high88Confident21 Ų2141.4 Ų41.411%0.1122%0.218CC..Hα-helixtrans-63.9-48.2174.7-69.8178.4000111.5E871 Q872 F877 G878 E879 W895 K896 V899 T900E871-L875 HydrophobicContact CG-CD1 4Å; E871-L875 HydrophobicContact CG-CG 4.4Å; E871-L875 WeakPolarHBondContact O-CB 3.39Å; E871-L875 WeakPolarHBondContact O-CG 3.42Å; E871-L875 PolarHBondContact O-N 2.93Å; Q872-L875 PolarHBondContact O-N 3.21Å; L875-F877 PolarHBondContact O-N 2.8Å; L875-G878 PolarHBondContact O-N 3.02Å; L875-G878 VanDerWaalsContact O-N 3.11Å; L875-E879 WeakPolarHBondContact O-CG 3.35Å; L875-E879 PolarHBondContact O-N 2.97Å; L875-W895 HydrophobicContact CD2-CH2 4.42Å; L875-W895 HydrophobicContact CD2-CZ3 3.91Å; L875-K896 HydrophobicContact CD2-CB 4.45Å; L875-K896 HydrophobicContact CD2-CD 4.46Å; L875-K896 HydrophobicContact CD2-CG 3.88Å; L875-V899 HydrophobicContact CD1-CG1 4.44Å; L875-V899 HydrophobicContact CD2-CB 3.98Å; L875-V899 HydrophobicContact CD2-CG1 3.62Å; L875-V899 HydrophobicContact CG-CG1 3.74Å; L875-T900 HydrophobicContact CD1-CG2 4.15Å
876E92.4Very high88.2Confident85 Ų8539.2 Ų39.240%0.39720%0.202SC..Hα-helixtrans-54.5-38.8173.1-76.2174.3-169.300111.8Q872 K873 G880Q872-E876 HydrophobicContact CG-CG 4.45Å; Q872-E876 WeakPolarHBondContact CG-OE1 3.19Å; Q872-E876 PolarHBondContact NE2-OE1 3.2Å; Q872-E876 WeakPolarHBondContact O-CB 3.41Å; Q872-E876 VanDerWaalsContact O-CG 3.31Å; Q872-E876 WeakPolarHBondContact O-CG 3.47Å; Q872-E876 PolarHBondContact O-N 3.17Å; K873-E876 IonicContact NZ-OE1 2.93Å; K873-E876 PolarHBondContact NZ-OE1 3.43Å; K873-E876 IonicContact NZ-OE2 3.31Å; K873-E876 PolarHBondContact NZ-OE2 3.1Å; E876-G880 PolarHBondContact O-N 2.98Å
877F93Very high87.7Confident4 Ų438.1 Ų38.12%0.01820%0.198CC..Hα-helixtrans-68.5-46176.2-169.8-174.7000111.4K873 L874 L875 E879 G880 L881 L915 M979 L982 R983 I986 W988K873-F877 VanDerWaalsContact O-CB 3.31Å; K873-F877 WeakPolarHBondContact O-CB 3.4Å; K873-F877 PolarHBondContact O-N 2.81Å; L874-F877 WeakPolarHBondContact O-CB 3.38Å; L874-F877 PolarHBondContact O-N 3.06Å; L875-F877 PolarHBondContact O-N 2.8Å; F877-E879 PolarHBondContact O-N 2.93Å; F877-G880 PolarHBondContact O-N 3.29Å; F877-L881 HydrophobicContact CD2-CD1 4.4Å; F877-L881 HydrophobicContact CD2-CD2 4.39Å; F877-L881 HydrophobicContact CD2-CG 4.08Å; F877-L881 HydrophobicContact CE2-CD1 4.2Å; F877-L881 HydrophobicContact CE2-CD2 3.91Å; F877-L881 HydrophobicContact CE2-CG 4.01Å; F877-L881 WeakPolarHBondContact O-CG 3.34Å; F877-L881 PolarHBondContact O-N 3.19Å; F877-L915 HydrophobicContact CB-CD1 4.42Å; F877-L915 HydrophobicContact CD1-CD1 4.4Å; F877-L915 HydrophobicContact CD1-CD2 3.68Å; F877-L915 HydrophobicContact CD2-CD2 4.19Å; F877-L915 HydrophobicContact CE1-CD2 3.5Å; F877-L915 VanDerWaalsContact CE1-CD2 3.5Å; F877-L915 HydrophobicContact CE2-CD2 3.99Å; F877-L915 HydrophobicContact CG-CD1 4.29Å; F877-L915 HydrophobicContact CG-CD2 4.03Å; F877-L915 HydrophobicContact CZ-CD2 3.66Å; F877-M979 HydrophobicContact CD1-CG 3.79Å; F877-M979 HydrophobicContact CD1-SD 4.38Å; F877-M979 HydrophobicContact CE1-CG 4.07Å; F877-L982 HydrophobicContact CE1-CB 4.39Å; F877-L982 HydrophobicContact CE1-CD2 3.95Å; F877-L982 HydrophobicContact CE1-CG 4.07Å; F877-L982 HydrophobicContact CZ-CD2 4.16Å; F877-L982 HydrophobicContact CZ-CG 3.95Å; F877-R983 HydrophobicContact CE1-CB 4.04Å; F877-R983 HydrophobicContact CE2-CB 4.41Å; F877-R983 HydrophobicContact CZ-CB 3.86Å; F877-I986 HydrophobicContact CE2-CD1 3.82Å; F877-I986 HydrophobicContact CZ-CD1 3.77Å; F877-W988 AromaticContact CD2-CH2 3.87Å; F877-W988 HydrophobicContact CD2-CH2 3.87Å; F877-W988 HydrophobicContact CD2-CZ2 4.02Å; F877-W988 AromaticContact CE2-CH2 3.77Å; F877-W988 HydrophobicContact CE2-CH2 3.77Å; F877-W988 AromaticContact CE2-CZ2 3.54Å; F877-W988 HydrophobicContact CE2-CZ2 3.54Å; F877-W988 HydrophobicContact CZ-CZ2 4.49Å
878G91.1Very high87.2Confident0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-58-48.7175.900000112.6L874 L875 G880 L881 M882L874-G878 PolarHBondContact O-N 3.19Å; L875-G878 PolarHBondContact O-N 3.02Å; L875-G878 VanDerWaalsContact O-N 3.11Å; G878-G880 VanDerWaalsContact C-N 3.31Å; G878-G880 PolarHBondContact O-N 2.75Å; G878-L881 PolarHBondContact O-N 2.93Å; G878-L881 VanDerWaalsContact O-N 3.14Å; G878-M882 WeakPolarHBondContact O-CG 3.48Å; G878-M882 PolarHBondContact O-N 2.93Å; G878-M882 VanDerWaalsContact O-N 3.16Å
879E88.1Confident86.8Confident84 Ų8439.2 Ų39.239%0.39321%0.205SC..Hα-helixtrans-63.9-37.3176.7-67.2-177.1174.900111.5L875 F877 L881 M882 S883 Y892 K896L875-E879 WeakPolarHBondContact O-CG 3.35Å; L875-E879 PolarHBondContact O-N 2.97Å; F877-E879 PolarHBondContact O-N 2.93Å; E879-L881 VanDerWaalsContact C-N 3.34Å; E879-L881 PolarHBondContact O-N 2.72Å; E879-M882 PolarHBondContact O-N 2.74Å; E879-S883 VanDerWaalsContact O-CB 3.28Å; E879-S883 WeakPolarHBondContact O-CB 3.41Å; E879-S883 PolarHBondContact O-N 3.29Å; E879-S883 PolarHBondContact O-OG 2.82Å; E879-Y892 WeakPolarHBondContact CG-OH 3.45Å; E879-Y892 PolarHBondContact OE1-OH 2.93Å; E879-K896 IonicContact OE1-NZ 3.69Å; E879-K896 PolarHBondContact OE1-NZ 3.14Å
880G86.3Confident86.3Confident14 Ų1441.7 Ų41.714%0.14423%0.23CC..Hα-helixtrans-61.6-34.9172.200000114.1E876 F877 G878 S883 N884E876-G880 PolarHBondContact O-N 2.98Å; F877-G880 PolarHBondContact O-N 3.29Å; G878-G880 VanDerWaalsContact C-N 3.31Å; G878-G880 PolarHBondContact O-N 2.75Å; G880-S883 WeakPolarHBondContact CA-OG 3.38Å; G880-S883 PolarHBondContact O-OG 2.76Å; G880-N884 WeakPolarHBondContact O-CB 3.47Å; G880-N884 PolarHBondContact O-N 2.88Å; G880-N884 PolarHBondContact O-ND2 3.47Å
881L86.4Confident85.8Confident1 Ų146.6 Ų46.61%0.00526%0.256CS..Hα-helixtrans-72.9-41.8176.3-67.8179.2000112.5F877 G878 E879 N885 I886 L915 V919 I986 W988F877-L881 HydrophobicContact CD2-CD1 4.4Å; F877-L881 HydrophobicContact CD2-CD2 4.39Å; F877-L881 HydrophobicContact CD2-CG 4.08Å; F877-L881 HydrophobicContact CE2-CD1 4.2Å; F877-L881 HydrophobicContact CE2-CD2 3.91Å; F877-L881 HydrophobicContact CE2-CG 4.01Å; F877-L881 WeakPolarHBondContact O-CG 3.34Å; F877-L881 PolarHBondContact O-N 3.19Å; G878-L881 PolarHBondContact O-N 2.93Å; G878-L881 VanDerWaalsContact O-N 3.14Å; E879-L881 VanDerWaalsContact C-N 3.34Å; E879-L881 PolarHBondContact O-N 2.72Å; L881-N885 PolarHBondContact O-N 3.45Å; L881-I886 HydrophobicContact CD2-CB 3.82Å; L881-I886 HydrophobicContact CD2-CD1 4.08Å; L881-I886 HydrophobicContact CD2-CG2 3.5Å; L881-I886 VanDerWaalsContact CD2-CG2 3.5Å; L881-I886 PolarHBondContact O-N 2.97Å; L881-L915 HydrophobicContact CD1-CD1 4.2Å; L881-L915 HydrophobicContact CD1-CD2 3.61Å; L881-L915 HydrophobicContact CD1-CG 3.61Å; L881-V919 HydrophobicContact CD1-CG2 3.98Å; L881-V919 HydrophobicContact CD2-CG2 4.12Å; L881-I986 HydrophobicContact CD2-CD1 3.92Å; L881-W988 HydrophobicContact CD2-CH2 3.89Å; L881-W988 HydrophobicContact CD2-CZ2 4.42Å; L881-W988 HydrophobicContact CD2-CZ3 4.43Å
882M81.2Confident85.4Confident68 Ų6847.1 Ų47.134%0.33526%0.257SS..Hα-helixtrans-68.6-52.2-179.6-64.9-62.2-68.300111.2G878 E879 N884 N885 I889 Y892G878-M882 WeakPolarHBondContact O-CG 3.48Å; G878-M882 PolarHBondContact O-N 2.93Å; G878-M882 VanDerWaalsContact O-N 3.16Å; E879-M882 PolarHBondContact O-N 2.74Å; M882-N884 PolarHBondContact O-N 2.89Å; M882-N885 PolarHBondContact O-N 3.33Å; M882-I889 HydrophobicContact SD-CB 4.15Å; M882-I889 HydrophobicContact SD-CG1 4.1Å; M882-I889 PolarHBondContact SD-N 2.64Å; M882-Y892 HydrophobicContact CG-CD2 4.29Å; M882-Y892 HydrophobicContact CG-CE2 4.46Å
883S79.3Confident85.2Confident91 Ų9148.7 Ų48.764%0.63627%0.269SS*.Hα-helixtrans-59.1-32.6-17954.30000113.7E879 G880E879-S883 VanDerWaalsContact O-CB 3.28Å; E879-S883 WeakPolarHBondContact O-CB 3.41Å; E879-S883 PolarHBondContact O-N 3.29Å; E879-S883 PolarHBondContact O-OG 2.82Å; G880-S883 WeakPolarHBondContact CA-OG 3.38Å; G880-S883 PolarHBondContact O-OG 2.76Å
884N72Confident85Confident64 Ų6450.6 Ų50.634%0.34228%0.278SS..THydrogen-bonded Turntrans-94.99.3177.2-65.1-73.6000113.6G880 M882 I886 S991 V992G880-N884 WeakPolarHBondContact O-CB 3.47Å; G880-N884 PolarHBondContact O-N 2.88Å; G880-N884 PolarHBondContact O-ND2 3.47Å; M882-N884 PolarHBondContact O-N 2.89Å; N884-I886 HydrophobicContact CB-CD1 3.7Å; N884-I886 HydrophobicContact CB-CG1 3.9Å; N884-I886 PolarHBondContact O-N 2.9Å; N884-I886 VanDerWaalsContact O-N 3.08Å; N884-S991 VanDerWaalsContact O-CB 3.32Å; N884-S991 WeakPolarHBondContact O-CB 3.38Å; N884-V992 WeakPolarHBondContact O-CG2 3.38Å
885N72.6Confident84.9Confident50 Ų5051 Ų5127%0.26728%0.28SS..THydrogen-bonded Turntrans48.336.2-177-1649.5000113.6L881 M882 K920 V992 Y1009L881-N885 PolarHBondContact O-N 3.45Å; M882-N885 PolarHBondContact O-N 3.33Å; N885-K920 VanDerWaalsContact CG-NZ 3.26Å; N885-K920 PolarHBondContact O-NZ 2.69Å; N885-K920 PolarHBondContact OD1-NZ 3.3Å; N885-V992 HydrophobicContact CB-CG2 3.76Å; N885-Y1009 PolarHBondContact ND2-OH 2.63Å
886I80.9Confident84.9Confident0 Ų053.2 Ų53.20%029%0.289CS..SBendtrans-79.2-35.1178-67.3163.8000110.4L881 N884 V919 K920 L923 I986 W988 S991L881-I886 HydrophobicContact CD2-CB 3.82Å; L881-I886 HydrophobicContact CD2-CD1 4.08Å; L881-I886 HydrophobicContact CD2-CG2 3.5Å; L881-I886 VanDerWaalsContact CD2-CG2 3.5Å; L881-I886 PolarHBondContact O-N 2.97Å; N884-I886 HydrophobicContact CB-CD1 3.7Å; N884-I886 HydrophobicContact CB-CG1 3.9Å; N884-I886 PolarHBondContact O-N 2.9Å; N884-I886 VanDerWaalsContact O-N 3.08Å; I886-V919 HydrophobicContact CG2-CG1 3.85Å; I886-V919 HydrophobicContact CG2-CG2 4.47Å; I886-K920 WeakPolarHBondContact O-CB 3.45Å; I886-K920 VanDerWaalsContact O-CG 3.26Å; I886-K920 WeakPolarHBondContact O-CG 3.2Å; I886-K920 PolarHBondContact O-N 2.7Å; I886-L923 HydrophobicContact CB-CD1 4.14Å; I886-L923 HydrophobicContact CG1-CD1 4.25Å; I886-L923 HydrophobicContact CG2-CD1 3.89Å; I886-I986 HydrophobicContact CD1-CG2 4.29Å; I886-I986 HydrophobicContact CG2-CG2 3.85Å; I886-W988 HydrophobicContact CD1-CD2 3.98Å; I886-W988 HydrophobicContact CD1-CE3 3.22Å; I886-W988 HydrophobicContact CD1-CH2 4.09Å; I886-W988 HydrophobicContact CD1-CZ3 3.29Å; I886-S991 WeakPolarHBondContact CD1-OG 3.44Å; I886-S991 VanDerWaalsContact CG1-OG 3.24Å; I886-S991 WeakPolarHBondContact CG1-OG 3.37Å
887G77.4Confident84.8Confident2 Ų255.4 Ų55.42%0.02130%0.299CS..BIsolated β-bridgetrans-152.4167.6179.900000110.9C918G887-C918 WeakPolarHBondContact CA-O 3.4Å
888I80Confident84.9Confident115 Ų11560.7 Ų60.759%0.5932%0.319SS*.  trans-123.4118.6172.4-60.3176.5000106.8A890 C918I888-A890 PolarHBondContact O-N 3.29Å; I888-C918 PolarHBondContact N-O 3.14Å; I888-C918 WeakPolarHBondContact O-CB 3.25Å; I888-C918 PolarHBondContact O-SG 3.4Å
889I83.8Confident85Confident8 Ų860.7 Ų60.74%0.04132%0.319CS..  trans-87.1107.3173.7-57.2175.2000107.2M882 N891 Y892 W895 C918M882-I889 HydrophobicContact SD-CB 4.15Å; M882-I889 HydrophobicContact SD-CG1 4.1Å; M882-I889 PolarHBondContact SD-N 2.64Å; I889-N891 PolarHBondContact O-N 2.71Å; I889-Y892 HydrophobicContact CB-CD2 4.14Å; I889-Y892 HydrophobicContact CD1-CD2 4.05Å; I889-Y892 HydrophobicContact CD1-CE2 4.24Å; I889-Y892 HydrophobicContact CG2-CD2 4.35Å; I889-Y892 PolarHBondContact O-N 3Å; I889-W895 HydrophobicContact CD1-CD2 4.34Å; I889-W895 HydrophobicContact CD1-CE3 4.26Å; I889-W895 HydrophobicContact CD1-CZ3 4.43Å; I889-W895 HydrophobicContact CG2-CB 3.77Å; I889-W895 HydrophobicContact CG2-CD2 4.26Å; I889-W895 HydrophobicContact CG2-CG 3.83Å; I889-C918 HydrophobicContact CG1-CB 3.97Å
890A80Confident85.3Confident82 Ų8259.2 Ų59.268%0.67832%0.316SS*.THydrogen-bonded Turntrans-59.9132.1173.800000109.6I888I888-A890 PolarHBondContact O-N 3.29Å
891N84.4Confident85.6Confident103 Ų10361.7 Ų61.755%0.55133%0.33SS*.THydrogen-bonded Turntrans50.857-172.4-55.8-8.3000112.6I889 D893 Q894 W895I889-N891 PolarHBondContact O-N 2.71Å; N891-D893 PolarHBondContact O-N 3Å; N891-D893 VanDerWaalsContact O-N 3.13Å; N891-Q894 HydrophobicContact CB-CB 3.98Å; N891-Q894 HydrophobicContact CB-CG 4.01Å; N891-Q894 PolarHBondContact ND2-OE1 3.31Å; N891-Q894 WeakPolarHBondContact O-CB 3.44Å; N891-Q894 PolarHBondContact O-N 3.43Å; N891-W895 PolarHBondContact O-N 2.9Å
892Y87.3Confident85.9Confident44 Ų4461.8 Ų61.817%0.17333%0.331CS..Hα-helixtrans-47.2-42.8-178.9179.2-105.5000113.4E879 M882 I889 Q894 W895 K896E879-Y892 WeakPolarHBondContact CG-OH 3.45Å; E879-Y892 PolarHBondContact OE1-OH 2.93Å; M882-Y892 HydrophobicContact CG-CD2 4.29Å; M882-Y892 HydrophobicContact CG-CE2 4.46Å; I889-Y892 HydrophobicContact CB-CD2 4.14Å; I889-Y892 HydrophobicContact CD1-CD2 4.05Å; I889-Y892 HydrophobicContact CD1-CE2 4.24Å; I889-Y892 HydrophobicContact CG2-CD2 4.35Å; I889-Y892 PolarHBondContact O-N 3Å; Y892-Q894 PolarHBondContact O-N 3.46Å; Y892-W895 HydrophobicContact CD2-CE3 4.26Å; Y892-W895 AromaticContact CE2-CE3 3.91Å; Y892-W895 HydrophobicContact CE2-CE3 3.91Å; Y892-W895 HydrophobicContact CE2-CZ3 4.01Å; Y892-W895 PolarHBondContact O-N 3.09Å; Y892-K896 HydrophobicContact CE1-CD 3.89Å; Y892-K896 WeakPolarHBondContact O-CB 3.41Å; Y892-K896 PolarHBondContact O-N 3.14Å
893D88.9Confident86.4Confident126 Ų12666 Ų6667%0.67434%0.343SS*.Hα-helixtrans-64.5-39.1179.5-54.8-57.4000112.6N891 K896 E897N891-D893 PolarHBondContact O-N 3Å; N891-D893 VanDerWaalsContact O-N 3.13Å; D893-K896 PolarHBondContact O-N 3.32Å; D893-E897 WeakPolarHBondContact O-CB 3.29Å; D893-E897 PolarHBondContact O-N 2.88Å
894Q90.7Very high87Confident101 Ų10168.1 Ų68.147%0.47234%0.341SS..Hα-helixtrans-69.1-34.7174.4-64.7178.5-3.500112N891 Y892 R898N891-Q894 HydrophobicContact CB-CB 3.98Å; N891-Q894 HydrophobicContact CB-CG 4.01Å; N891-Q894 PolarHBondContact ND2-OE1 3.31Å; N891-Q894 WeakPolarHBondContact O-CB 3.44Å; N891-Q894 PolarHBondContact O-N 3.43Å; Y892-Q894 PolarHBondContact O-N 3.46Å; Q894-R898 VanDerWaalsContact O-CG 3.3Å; Q894-R898 WeakPolarHBondContact O-CG 3.48Å; Q894-R898 PolarHBondContact O-N 3Å
895W93.2Very high87.9Confident7 Ų766.1 Ų66.13%0.02733%0.331CS..Hα-helixtrans-67.8-43.6173.4177.690.9000110.7L874 L875 I889 N891 Y892 R898 V899 P911 L915L874-W895 HydrophobicContact CD1-CZ2 4.24Å; L874-W895 HydrophobicContact CD2-CZ2 4.22Å; L874-W895 HydrophobicContact CG-CH2 4.05Å; L874-W895 HydrophobicContact CG-CZ2 3.93Å; L875-W895 HydrophobicContact CD2-CH2 4.42Å; L875-W895 HydrophobicContact CD2-CZ3 3.91Å; I889-W895 HydrophobicContact CD1-CD2 4.34Å; I889-W895 HydrophobicContact CD1-CE3 4.26Å; I889-W895 HydrophobicContact CD1-CZ3 4.43Å; I889-W895 HydrophobicContact CG2-CB 3.77Å; I889-W895 HydrophobicContact CG2-CD2 4.26Å; I889-W895 HydrophobicContact CG2-CG 3.83Å; N891-W895 PolarHBondContact O-N 2.9Å; Y892-W895 HydrophobicContact CD2-CE3 4.26Å; Y892-W895 AromaticContact CE2-CE3 3.91Å; Y892-W895 HydrophobicContact CE2-CE3 3.91Å; Y892-W895 HydrophobicContact CE2-CZ3 4.01Å; Y892-W895 PolarHBondContact O-N 3.09Å; W895-R898 PolarHBondContact O-N 3.05Å; W895-V899 HydrophobicContact CD2-CG2 4.19Å; W895-V899 HydrophobicContact CE3-CG2 4.41Å; W895-V899 HydrophobicContact CH2-CG2 4.11Å; W895-V899 HydrophobicContact CZ2-CG2 3.87Å; W895-V899 HydrophobicContact CZ3-CG2 4.38Å; W895-V899 WeakPolarHBondContact O-CG2 3.43Å; W895-V899 PolarHBondContact O-N 3.15Å; W895-P911 PolarHBondContact NE1-O 3.41Å; W895-L915 HydrophobicContact CH2-CD1 3.84Å; W895-L915 HydrophobicContact CZ2-CB 4.27Å; W895-L915 HydrophobicContact CZ2-CD1 3.59Å
896K92.9Very high88.9Confident69 Ų6967 Ų6730%0.334%0.34SS..Hα-helixtrans-60.9-44.5175.6-176159.2-173.8165.60111.3L875 E879 Y892 D893 R898 V899 T900L875-K896 HydrophobicContact CD2-CB 4.45Å; L875-K896 HydrophobicContact CD2-CD 4.46Å; L875-K896 HydrophobicContact CD2-CG 3.88Å; E879-K896 IonicContact OE1-NZ 3.69Å; E879-K896 PolarHBondContact OE1-NZ 3.14Å; Y892-K896 HydrophobicContact CE1-CD 3.89Å; Y892-K896 WeakPolarHBondContact O-CB 3.41Å; Y892-K896 PolarHBondContact O-N 3.14Å; D893-K896 PolarHBondContact O-N 3.32Å; K896-R898 PolarHBondContact O-N 3.3Å; K896-V899 PolarHBondContact O-N 3.03Å; K896-T900 HydrophobicContact CG-CG2 4.49Å; K896-T900 WeakPolarHBondContact O-CG2 3.46Å; K896-T900 PolarHBondContact O-N 2.84Å; K896-T900 PolarHBondContact O-OG1 3.27Å
897E92.2Very high89.6Confident130 Ų13070.7 Ų70.761%0.60736%0.358SS*.Hα-helixtrans-61.5-40.7174.4-173.5-179-162.900112.7D893 V899 T900 S901D893-E897 WeakPolarHBondContact O-CB 3.29Å; D893-E897 PolarHBondContact O-N 2.88Å; E897-V899 VanDerWaalsContact C-N 3.32Å; E897-V899 PolarHBondContact O-N 3.4Å; E897-T900 WeakPolarHBondContact CA-OG1 3.48Å; E897-T900 PolarHBondContact O-N 2.79Å; E897-T900 PolarHBondContact O-OG1 3.22Å; E897-S901 WeakPolarHBondContact O-CB 3.22Å; E897-S901 PolarHBondContact O-N 3.47Å; E897-S901 PolarHBondContact O-OG 2.7Å
898R93.1Very high90.5Very high116 Ų11670.6 Ų70.644%0.43836%0.357SS..Hα-helixtrans-63.3-37.6173.6-74.7176.1-170.7-141.71.3112.5Q894 W895 K896 S901 A902 E910Q894-R898 VanDerWaalsContact O-CG 3.3Å; Q894-R898 WeakPolarHBondContact O-CG 3.48Å; Q894-R898 PolarHBondContact O-N 3Å; W895-R898 PolarHBondContact O-N 3.05Å; K896-R898 PolarHBondContact O-N 3.3Å; R898-S901 WeakPolarHBondContact CA-OG 3.04Å; R898-S901 PolarHBondContact O-OG 3.47Å; R898-A902 WeakPolarHBondContact O-CB 3.44Å; R898-A902 PolarHBondContact O-N 2.83Å; R898-A902 VanDerWaalsContact O-N 3.12Å; R898-E910 IonicContact NH1-OE1 3.73Å; R898-E910 PolarHBondContact NH1-OE1 3.08Å; R898-E910 VanDerWaalsContact NH1-OE1 3.11Å; R898-E910 IonicContact NH1-OE2 3.08Å
899V94.1Very high91.2Very high0 Ų066.5 Ų66.50%034%0.335CS..Hα-helixtrans-70.8-43.2178.2172.20000111.4E871 L874 L875 W895 K896 E897 F908 P911E871-V899 HydrophobicContact CG-CG1 3.76Å; L874-V899 HydrophobicContact CD2-CG1 4.02Å; L874-V899 HydrophobicContact CD2-CG2 3.72Å; L874-V899 HydrophobicContact CG-CG1 4.5Å; L874-V899 HydrophobicContact CG-CG2 4.48Å; L875-V899 HydrophobicContact CD1-CG1 4.44Å; L875-V899 HydrophobicContact CD2-CB 3.98Å; L875-V899 HydrophobicContact CD2-CG1 3.62Å; L875-V899 HydrophobicContact CG-CG1 3.74Å; W895-V899 HydrophobicContact CD2-CG2 4.19Å; W895-V899 HydrophobicContact CE3-CG2 4.41Å; W895-V899 HydrophobicContact CH2-CG2 4.11Å; W895-V899 HydrophobicContact CZ2-CG2 3.87Å; W895-V899 HydrophobicContact CZ3-CG2 4.38Å; W895-V899 WeakPolarHBondContact O-CG2 3.43Å; W895-V899 PolarHBondContact O-N 3.15Å; K896-V899 PolarHBondContact O-N 3.03Å; E897-V899 VanDerWaalsContact C-N 3.32Å; E897-V899 PolarHBondContact O-N 3.4Å; V899-F908 HydrophobicContact CG1-CE1 4.21Å; V899-P911 HydrophobicContact CG2-CB 3.61Å; V899-P911 HydrophobicContact CG2-CG 4.1Å
900T94.1Very high91.7Very high53 Ų5370.1 Ų70.133%0.32535%0.351SS..Hα-helixtrans-73.7-28.4178.459.70000113.2R867 E871 L875 K896 E897 R903R867-T900 PolarHBondContact NH2-O 3.2Å; R867-T900 VanDerWaalsContact NH2-O 3.09Å; E871-T900 WeakPolarHBondContact OE1-CG2 3.28Å; L875-T900 HydrophobicContact CD1-CG2 4.15Å; K896-T900 HydrophobicContact CG-CG2 4.49Å; K896-T900 WeakPolarHBondContact O-CG2 3.46Å; K896-T900 PolarHBondContact O-N 2.84Å; K896-T900 PolarHBondContact O-OG1 3.27Å; E897-T900 WeakPolarHBondContact CA-OG1 3.48Å; E897-T900 PolarHBondContact O-N 2.79Å; E897-T900 PolarHBondContact O-OG1 3.22Å; T900-R903 PolarHBondContact O-NH1 3.49Å
901S93.3Very high92.4Very high65 Ų6566.3 Ų66.346%0.45532%0.32SS..Hα-helixtrans-81.3-24.9175.757.70000113.7E897 R898 R903E897-S901 WeakPolarHBondContact O-CB 3.22Å; E897-S901 PolarHBondContact O-N 3.47Å; E897-S901 PolarHBondContact O-OG 2.7Å; R898-S901 WeakPolarHBondContact CA-OG 3.04Å; R898-S901 PolarHBondContact O-OG 3.47Å; S901-R903 PolarHBondContact O-N 3.25Å; S901-R903 PolarHBondContact O-NH1 3.11Å
902A93.3Very high92.9Very high3 Ų361.4 Ų61.43%0.02529%0.294CS..  trans-57.8134.2178.600000112.4R867 R898 E907 F908R867-A902 VanDerWaalsContact CZ-O 3.27Å; R867-A902 PolarHBondContact NE-O 2.92Å; R867-A902 PolarHBondContact NH2-O 3.1Å; R898-A902 WeakPolarHBondContact O-CB 3.44Å; R898-A902 PolarHBondContact O-N 2.83Å; R898-A902 VanDerWaalsContact O-N 3.12Å; A902-E907 WeakPolarHBondContact CA-OE2 3.42Å; A902-E907 HydrophobicContact CB-CB 3.78Å; A902-F908 HydrophobicContact CB-CD1 4.22Å; A902-F908 HydrophobicContact CB-CD2 3.93Å; A902-F908 HydrophobicContact CB-CE1 3.9Å; A902-F908 HydrophobicContact CB-CE2 3.56Å; A902-F908 HydrophobicContact CB-CG 4.24Å; A902-F908 HydrophobicContact CB-CZ 3.56Å
903R90.2Very high93.2Very high156 Ų15660.2 Ų60.259%0.58929%0.29SS*.  trans-118.1-30.9179.7-60.7-62.9176.7-107.43.8112.3T900 S901 E907T900-R903 PolarHBondContact O-NH1 3.49Å; S901-R903 PolarHBondContact O-N 3.25Å; S901-R903 PolarHBondContact O-NH1 3.11Å; R903-E907 PolarHBondContact N-OE2 2.8Å
904K91.6Very high93.4Very high137 Ų13756.9 Ų56.960%0.59627%0.269SS*.SBendtrans-108.1150-178.8-60.6178.5-177.9174.70111.9S906 E907 F908K904-S906 PolarHBondContact O-N 3.23Å; K904-S906 VanDerWaalsContact O-N 3.1Å; K904-E907 HydrophobicContact CB-CG 4.45Å; K904-E907 WeakPolarHBondContact CB-OE1 3.34Å; K904-E907 PolarHBondContact N-OE2 3.35Å; K904-E907 WeakPolarHBondContact O-CB 3.38Å; K904-E907 PolarHBondContact O-N 3.05Å; K904-F908 WeakPolarHBondContact O-CD2 3.21Å
905L92.8Very high93.4Very high22 Ų2252 Ų5212%0.11525%0.247CC..Hα-helixtrans-49.6-37.9174.3176.4146000113E907 F908 C969 T971 W972 L975L905-E907 VanDerWaalsContact C-N 3.26Å; L905-E907 PolarHBondContact O-N 2.88Å; L905-F908 PolarHBondContact O-N 3.05Å; L905-C969 WeakPolarHBondContact CD2-O 3.24Å; L905-T971 WeakPolarHBondContact CD1-O 3.49Å; L905-W972 HydrophobicContact CB-CD2 4.38Å; L905-W972 HydrophobicContact CB-CH2 4.18Å; L905-W972 HydrophobicContact CB-CZ2 3.88Å; L905-W972 HydrophobicContact CD1-CB 4.39Å; L905-W972 HydrophobicContact CD1-CD2 3.95Å; L905-W972 HydrophobicContact CD1-CE3 4.39Å; L905-W972 HydrophobicContact CD1-CG 3.94Å; L905-L975 HydrophobicContact CG-CD2 4.16Å
906S93Very high93.4Very high68 Ų6852.1 Ų52.148%0.47625%0.248SC..Hα-helixtrans-60.5-31.9178.149.70000113.9K904K904-S906 PolarHBondContact O-N 3.23Å; K904-S906 VanDerWaalsContact O-N 3.1Å
907E95Very high93.2Very high77 Ų7754.4 Ų54.436%0.3626%0.259SS..Hα-helixtrans-78.6-25-176-66.5149.5-156.400111.8A902 R903 K904 L905 K909 P911A902-E907 WeakPolarHBondContact CA-OE2 3.42Å; A902-E907 HydrophobicContact CB-CB 3.78Å; R903-E907 PolarHBondContact N-OE2 2.8Å; K904-E907 HydrophobicContact CB-CG 4.45Å; K904-E907 WeakPolarHBondContact CB-OE1 3.34Å; K904-E907 PolarHBondContact N-OE2 3.35Å; K904-E907 WeakPolarHBondContact O-CB 3.38Å; K904-E907 PolarHBondContact O-N 3.05Å; L905-E907 VanDerWaalsContact C-N 3.26Å; L905-E907 PolarHBondContact O-N 2.88Å; E907-K909 VanDerWaalsContact C-N 3.34Å; E907-P911 WeakPolarHBondContact O-CD 3.46Å
908F95.8Very high93Very high0 Ų049.6 Ų49.60%024%0.24CC..Hα-helixtrans-77.8-15176.2-72.8-82.3000114.2R867 F870 E871 L874 V899 A902 K904 L905 L912 W972 L975R867-F908 HydrophobicContact CG-CE2 3.81Å; R867-F908 HydrophobicContact CG-CZ 4.03Å; F870-F908 HydrophobicContact CD1-CB 4.05Å; F870-F908 AromaticContact CD1-CD1 3.63Å; F870-F908 HydrophobicContact CD1-CD1 3.63Å; F870-F908 HydrophobicContact CD1-CE1 4.21Å; F870-F908 AromaticContact CD1-CG 3.85Å; F870-F908 HydrophobicContact CD1-CG 3.85Å; F870-F908 HydrophobicContact CE1-CB 3.8Å; F870-F908 AromaticContact CE1-CD1 3.93Å; F870-F908 HydrophobicContact CE1-CD1 3.93Å; F870-F908 HydrophobicContact CE1-CG 4.08Å; E871-F908 HydrophobicContact CB-CE1 4.14Å; E871-F908 HydrophobicContact CB-CZ 4.32Å; E871-F908 HydrophobicContact CG-CE1 4.48Å; L874-F908 HydrophobicContact CD2-CD1 4.16Å; V899-F908 HydrophobicContact CG1-CE1 4.21Å; A902-F908 HydrophobicContact CB-CD1 4.22Å; A902-F908 HydrophobicContact CB-CD2 3.93Å; A902-F908 HydrophobicContact CB-CE1 3.9Å; A902-F908 HydrophobicContact CB-CE2 3.56Å; A902-F908 HydrophobicContact CB-CG 4.24Å; A902-F908 HydrophobicContact CB-CZ 3.56Å; K904-F908 WeakPolarHBondContact O-CD2 3.21Å; L905-F908 PolarHBondContact O-N 3.05Å; F908-L912 PolarHBondContact O-N 3.46Å; F908-W972 AromaticContact CD2-CH2 3.76Å; F908-W972 HydrophobicContact CD2-CH2 3.76Å; F908-W972 AromaticContact CD2-CZ3 3.95Å; F908-W972 HydrophobicContact CD2-CZ3 3.95Å; F908-W972 AromaticContact CE2-CH2 3.78Å; F908-W972 HydrophobicContact CE2-CH2 3.78Å; F908-W972 HydrophobicContact CE2-CZ3 4.19Å; F908-L975 HydrophobicContact CB-CD2 4.01Å
909K95.4Very high92.7Very high30 Ų3044.4 Ų44.413%0.1322%0.221CC..Hα-helixtrans-62.9-48.5-179.4-66.1176.3170.5179.20112.5E907 L912 I913 V966 L967 C969E907-K909 VanDerWaalsContact C-N 3.34Å; K909-L912 PolarHBondContact O-N 3.37Å; K909-I913 VanDerWaalsContact O-CG1 3.27Å; K909-I913 WeakPolarHBondContact O-CG1 3.4Å; K909-I913 PolarHBondContact O-N 2.89Å; K909-V966 HydrophobicContact CB-CG1 4.11Å; K909-V966 VanDerWaalsContact CD-O 3.26Å; K909-V966 WeakPolarHBondContact CD-O 3.5Å; K909-V966 WeakPolarHBondContact CE-O 3.47Å; K909-V966 HydrophobicContact CG-CG1 4.27Å; K909-V966 WeakPolarHBondContact CG-O 3.33Å; K909-L967 WeakPolarHBondContact CE-O 3.35Å; K909-L967 PolarHBondContact NZ-O 2.96Å; K909-C969 WeakPolarHBondContact CE-O 3.44Å; K909-C969 WeakPolarHBondContact CE-SG 3.1Å; K909-C969 PolarHBondContact NZ-O 3.07Å
910E93.9Very high92.2Very high83 Ų8347.6 Ų47.639%0.38824%0.235SC..Hα-helixtrans-66.9-44.9-178.8-170.9-113.7-144.600112.8R898 L912 I913 K914R898-E910 IonicContact NH1-OE1 3.73Å; R898-E910 PolarHBondContact NH1-OE1 3.08Å; R898-E910 VanDerWaalsContact NH1-OE1 3.11Å; R898-E910 IonicContact NH1-OE2 3.08Å; E910-L912 PolarHBondContact O-N 3.45Å; E910-I913 PolarHBondContact O-N 3.25Å; E910-K914 PolarHBondContact O-N 3.08Å; E910-K914 WeakPolarHBondContact OE1-CE 3.36Å; E910-K914 IonicContact OE1-NZ 3.77Å; E910-K914 PolarHBondContact OE1-NZ 3.25Å; E910-K914 VanDerWaalsContact OE2-CE 3.31Å; E910-K914 WeakPolarHBondContact OE2-CE 3.43Å; E910-K914 IonicContact OE2-NZ 2.87Å; E910-K914 PolarHBondContact OE2-NZ 3.25Å
911P94.3Very high91.7Very high3 Ų352.7 Ų52.72%0.01925%0.252CS..Hα-helixtrans-55.6-41.1171-3036.7000114.8L874 W895 V899 E907 K914 L915L874-P911 HydrophobicContact CD2-CB 4.04Å; W895-P911 PolarHBondContact NE1-O 3.41Å; V899-P911 HydrophobicContact CG2-CB 3.61Å; V899-P911 HydrophobicContact CG2-CG 4.1Å; E907-P911 WeakPolarHBondContact O-CD 3.46Å; P911-K914 PolarHBondContact O-N 3.48Å; P911-L915 WeakPolarHBondContact O-CB 3.2Å; P911-L915 PolarHBondContact O-N 2.95Å
912L95.3Very high91Very high0 Ų053.4 Ų53.40%025%0.247CC..Hα-helixtrans-68.1-40.4177179.162000112F870 L874 F908 K909 E910 L915 Q916 W962 V966 L975 M979 L982F870-L912 HydrophobicContact CZ-CD2 4.44Å; L874-L912 HydrophobicContact CD1-CB 4.46Å; L874-L912 HydrophobicContact CD1-CD1 3.96Å; F908-L912 PolarHBondContact O-N 3.46Å; K909-L912 PolarHBondContact O-N 3.37Å; E910-L912 PolarHBondContact O-N 3.45Å; L912-L915 PolarHBondContact O-N 3.01Å; L912-Q916 PolarHBondContact O-N 3.26Å; L912-Q916 VanDerWaalsContact O-N 3.12Å; L912-W962 HydrophobicContact CD2-CH2 4.48Å; L912-W962 HydrophobicContact CD2-CZ2 4.23Å; L912-W962 HydrophobicContact CG-CH2 4.01Å; L912-W962 HydrophobicContact CG-CZ2 4.16Å; L912-V966 HydrophobicContact CD2-CG1 4.1Å; L912-V966 HydrophobicContact CD2-CG2 4.09Å; L912-L975 HydrophobicContact CD2-CD1 3.68Å; L912-M979 HydrophobicContact CD1-CB 4.03Å; L912-M979 HydrophobicContact CD1-CG 4.04Å; L912-M979 HydrophobicContact CD2-CB 4.25Å; L912-L982 HydrophobicContact CD1-CD2 3.99Å
913I94.6Very high90.6Very high18 Ų1854 Ų549%0.09225%0.25CC..Hα-helixtrans-65.6-39.7176.5-69.6169.5000111K909 E910 Q916 Q917 W962 V966 L967K909-I913 VanDerWaalsContact O-CG1 3.27Å; K909-I913 WeakPolarHBondContact O-CG1 3.4Å; K909-I913 PolarHBondContact O-N 2.89Å; E910-I913 PolarHBondContact O-N 3.25Å; I913-Q916 WeakPolarHBondContact O-CB 3.48Å; I913-Q916 PolarHBondContact O-N 3.13Å; I913-Q917 WeakPolarHBondContact O-CG 3.34Å; I913-Q917 PolarHBondContact O-N 3.37Å; I913-W962 HydrophobicContact CG1-CZ3 4.39Å; I913-V966 HydrophobicContact CD1-CB 4.32Å; I913-V966 HydrophobicContact CD1-CG1 3.97Å; I913-V966 HydrophobicContact CG1-CB 4.28Å; I913-V966 HydrophobicContact CG1-CG1 3.87Å; I913-L967 HydrophobicContact CD1-CD2 3.63Å; I913-L967 HydrophobicContact CD1-CG 3.84Å
914K92.5Very high90.3Very high56 Ų5646.8 Ų46.824%0.24322%0.223CC..Hα-helixtrans-61.5-45.5171.5-79.6176.5175.3160.30112.2E910 P911 Q916 Q917 C918E910-K914 PolarHBondContact O-N 3.08Å; E910-K914 WeakPolarHBondContact OE1-CE 3.36Å; E910-K914 IonicContact OE1-NZ 3.77Å; E910-K914 PolarHBondContact OE1-NZ 3.25Å; E910-K914 VanDerWaalsContact OE2-CE 3.31Å; E910-K914 WeakPolarHBondContact OE2-CE 3.43Å; E910-K914 IonicContact OE2-NZ 2.87Å; E910-K914 PolarHBondContact OE2-NZ 3.25Å; P911-K914 PolarHBondContact O-N 3.48Å; K914-Q916 PolarHBondContact O-N 3.01Å; K914-Q917 WeakPolarHBondContact O-CA 3.4Å; K914-Q917 WeakPolarHBondContact O-CB 3.42Å; K914-Q917 PolarHBondContact O-N 3.4Å; K914-C918 PolarHBondContact O-N 2.98Å; K914-C918 PolarHBondContact O-SG 2.97Å
915L92Very high90.1Very high0 Ų043.7 Ų43.70%021%0.21CC..Hα-helixtrans-58.4-35.8178.9-173.8144.4000111.6L874 F877 L881 W895 P911 L912 L982L874-L915 HydrophobicContact CD1-CD1 4.02Å; F877-L915 HydrophobicContact CB-CD1 4.42Å; F877-L915 HydrophobicContact CD1-CD1 4.4Å; F877-L915 HydrophobicContact CD1-CD2 3.68Å; F877-L915 HydrophobicContact CD2-CD2 4.19Å; F877-L915 HydrophobicContact CE1-CD2 3.5Å; F877-L915 VanDerWaalsContact CE1-CD2 3.5Å; F877-L915 HydrophobicContact CE2-CD2 3.99Å; F877-L915 HydrophobicContact CG-CD1 4.29Å; F877-L915 HydrophobicContact CG-CD2 4.03Å; F877-L915 HydrophobicContact CZ-CD2 3.66Å; L881-L915 HydrophobicContact CD1-CD1 4.2Å; L881-L915 HydrophobicContact CD1-CD2 3.61Å; L881-L915 HydrophobicContact CD1-CG 3.61Å; W895-L915 HydrophobicContact CH2-CD1 3.84Å; W895-L915 HydrophobicContact CZ2-CB 4.27Å; W895-L915 HydrophobicContact CZ2-CD1 3.59Å; P911-L915 WeakPolarHBondContact O-CB 3.2Å; P911-L915 PolarHBondContact O-N 2.95Å; L912-L915 PolarHBondContact O-N 3.01Å; L915-L982 HydrophobicContact CD2-CD2 3.69Å
916Q91.8Very high89.7Confident9 Ų945 Ų454%0.04223%0.229CC..Hα-helixtrans-63-44.7169.4-175.4-78.8-28.700112.9L912 I913 K914 C918 V919 M928 W962 R963 L982L912-Q916 PolarHBondContact O-N 3.26Å; L912-Q916 VanDerWaalsContact O-N 3.12Å; I913-Q916 WeakPolarHBondContact O-CB 3.48Å; I913-Q916 PolarHBondContact O-N 3.13Å; K914-Q916 PolarHBondContact O-N 3.01Å; Q916-C918 VanDerWaalsContact C-N 3.29Å; Q916-C918 PolarHBondContact O-N 3.42Å; Q916-V919 PolarHBondContact O-N 3.37Å; Q916-M928 HydrophobicContact CG-CE 4.46Å; Q916-M928 HydrophobicContact CG-SD 4.06Å; Q916-W962 HydrophobicContact CB-CH2 3.85Å; Q916-W962 HydrophobicContact CB-CZ3 3.74Å; Q916-W962 HydrophobicContact CG-CE3 4.36Å; Q916-W962 HydrophobicContact CG-CH2 4.23Å; Q916-W962 HydrophobicContact CG-CZ3 3.81Å; Q916-R963 VanDerWaalsContact OE1-CZ 3.25Å; Q916-L982 HydrophobicContact CB-CD1 3.86Å; Q916-L982 HydrophobicContact CB-CD2 3.8Å; Q916-L982 HydrophobicContact CG-CD1 3.59Å; Q916-L982 HydrophobicContact CG-CD2 4.46Å
917Q88.9Confident89.2Confident116 Ų11642.5 Ų42.554%0.54221%0.21SC..Hα-helixtrans-65.8-31.1-177.8-69.1169.1-15.600112.7I913 K914 V919I913-Q917 WeakPolarHBondContact O-CG 3.34Å; I913-Q917 PolarHBondContact O-N 3.37Å; K914-Q917 WeakPolarHBondContact O-CA 3.4Å; K914-Q917 WeakPolarHBondContact O-CB 3.42Å; K914-Q917 PolarHBondContact O-N 3.4Å; Q917-V919 VanDerWaalsContact C-N 3.28Å; Q917-V919 PolarHBondContact O-N 2.72Å
918C88.3Confident88.8Confident29 Ų2938.9 Ų38.920%0.19619%0.192CC..THydrogen-bonded Turntrans-71.1-16.8-179.8-65.50000114.2G887 I888 I889 K914 Q916G887-C918 WeakPolarHBondContact CA-O 3.4Å; I888-C918 PolarHBondContact N-O 3.14Å; I888-C918 WeakPolarHBondContact O-CB 3.25Å; I888-C918 PolarHBondContact O-SG 3.4Å; I889-C918 HydrophobicContact CG1-CB 3.97Å; K914-C918 PolarHBondContact O-N 2.98Å; K914-C918 PolarHBondContact O-SG 2.97Å; Q916-C918 VanDerWaalsContact C-N 3.29Å; Q916-C918 PolarHBondContact O-N 3.42Å
919V87.1Confident88Confident7 Ų745.1 Ų45.14%0.04222%0.216CC..BIsolated β-bridgetrans-74.6129.6-177.9178.50000111.4L881 I886 Q916 Q917 K921 L924 I986L881-V919 HydrophobicContact CD1-CG2 3.98Å; L881-V919 HydrophobicContact CD2-CG2 4.12Å; I886-V919 HydrophobicContact CG2-CG1 3.85Å; I886-V919 HydrophobicContact CG2-CG2 4.47Å; Q916-V919 PolarHBondContact O-N 3.37Å; Q917-V919 VanDerWaalsContact C-N 3.28Å; Q917-V919 PolarHBondContact O-N 2.72Å; V919-K921 PolarHBondContact O-N 2.69Å; V919-L924 HydrophobicContact CB-CD2 4Å; V919-L924 HydrophobicContact CG1-CD2 3.46Å; V919-L924 VanDerWaalsContact CG1-CD2 3.46Å; V919-L924 HydrophobicContact CG1-CG 3.94Å; V919-I986 HydrophobicContact CG1-CD1 4.47Å; V919-I986 HydrophobicContact CG1-CG1 4.32Å; V919-I986 HydrophobicContact CG2-CD1 3.84Å
920K83.6Confident86.8Confident68 Ų6846.8 Ų46.830%0.29623%0.226SC..  trans-57.6121.2176.2-69.6167.8-174.7170.30110.7N885 I886 K922 L923N885-K920 VanDerWaalsContact CG-NZ 3.26Å; N885-K920 PolarHBondContact O-NZ 2.69Å; N885-K920 PolarHBondContact OD1-NZ 3.3Å; I886-K920 WeakPolarHBondContact O-CB 3.45Å; I886-K920 VanDerWaalsContact O-CG 3.26Å; I886-K920 WeakPolarHBondContact O-CG 3.2Å; I886-K920 PolarHBondContact O-N 2.7Å; K920-K922 PolarHBondContact O-N 2.86Å; K920-L923 HydrophobicContact CB-CD1 4.21Å; K920-L923 HydrophobicContact CB-CG 4.32Å; K920-L923 HydrophobicContact CD-CD1 4.43Å; K920-L923 WeakPolarHBondContact O-CB 3.32Å; K920-L923 PolarHBondContact O-N 3.22Å
921K83.3Confident85.1Confident160 Ų16047.2 Ų47.270%0.69623%0.231SC*.G310 helixtrans-46.2-41.3-175.6-64.2178.9-179.3176.10113.8V919 L923 L924V919-K921 PolarHBondContact O-N 2.69Å; K921-L923 PolarHBondContact O-N 2.8Å; K921-L924 PolarHBondContact O-N 2.75Å; K921-L924 VanDerWaalsContact O-N 3.15Å
922K77.7Confident83.1Confident79 Ų7952.1 Ų52.134%0.34326%0.26SS..G310 helixtrans-62.3-23.3178.162.9-169.5174.3-165.20114.9K920 K987 E1013 D1016K920-K922 PolarHBondContact O-N 2.86Å; K922-K987 PolarHBondContact O-NZ 3.02Å; K922-E1013 IonicContact NZ-OE1 3.69Å; K922-E1013 PolarHBondContact NZ-OE1 3.31Å; K922-D1016 WeakPolarHBondContact CE-OD1 3.32Å; K922-D1016 IonicContact NZ-OD1 2.62Å; K922-D1016 PolarHBondContact NZ-OD1 3.35Å
923L84.5Confident80.5Confident16 Ų1660.2 Ų60.28%0.08430%0.296CS..G310 helixtrans-88.2-9.5178-60.9179.3000113.6I886 K920 K921 K987 K990I886-L923 HydrophobicContact CB-CD1 4.14Å; I886-L923 HydrophobicContact CG1-CD1 4.25Å; I886-L923 HydrophobicContact CG2-CD1 3.89Å; K920-L923 HydrophobicContact CB-CD1 4.21Å; K920-L923 HydrophobicContact CB-CG 4.32Å; K920-L923 HydrophobicContact CD-CD1 4.43Å; K920-L923 WeakPolarHBondContact O-CB 3.32Å; K920-L923 PolarHBondContact O-N 3.22Å; K921-L923 PolarHBondContact O-N 2.8Å; L923-K987 VanDerWaalsContact O-CB 3.24Å; L923-K987 WeakPolarHBondContact O-CB 3.39Å; L923-K987 WeakPolarHBondContact O-CG 3.45Å; L923-K987 PolarHBondContact O-N 2.83Å; L923-K990 HydrophobicContact CD2-CB 3.86Å
924L85.2Confident77.9Confident4 Ų467.7 Ų67.72%0.02133%0.33CS..BIsolated β-bridgetrans-77.3140.2175.4-61.1172.4000111.6V919 K921 M928 I986 K987V919-L924 HydrophobicContact CB-CD2 4Å; V919-L924 HydrophobicContact CG1-CD2 3.46Å; V919-L924 VanDerWaalsContact CG1-CD2 3.46Å; V919-L924 HydrophobicContact CG1-CG 3.94Å; K921-L924 PolarHBondContact O-N 2.75Å; K921-L924 VanDerWaalsContact O-N 3.15Å; L924-M928 HydrophobicContact CB-CB 3.94Å; L924-M928 WeakPolarHBondContact CB-O 3.26Å; L924-M928 HydrophobicContact CD1-CB 4.23Å; L924-M928 WeakPolarHBondContact CD1-O 3.36Å; L924-M928 HydrophobicContact CD2-CB 3.91Å; L924-M928 HydrophobicContact CG-CB 4.23Å; L924-I986 HydrophobicContact CD2-CG1 4.22Å; L924-K987 WeakPolarHBondContact O-CE 3.46Å; L924-K987 PolarHBondContact O-NZ 3.13Å
925K87.4Confident75Confident73 Ų7369.9 Ų69.932%0.31735%0.352SS..  trans-129.5175.7171.862.1154.6-177.5140.10110.2E600 M928 A984 C985 K987E600-K925 IonicContact OE2-NZ 3.18Å; E600-K925 PolarHBondContact OE2-NZ 3.3Å; E600-K925 VanDerWaalsContact OE2-NZ 3.12Å; K925-M928 PolarHBondContact O-N 3.23Å; K925-A984 WeakPolarHBondContact CE-O 3.45Å; K925-A984 PolarHBondContact NZ-O 3.47Å; K925-C985 WeakPolarHBondContact CG-O 3.22Å; K925-C985 PolarHBondContact N-O 2.7Å; K925-K987 HydrophobicContact CB-CG 4.15Å; K925-K987 HydrophobicContact CG-CG 4.21Å
926G83.1Confident72.3Confident50 Ų5077 Ų7752%0.51539%0.39SS..G310 helixtrans59.3-141.1178.200000111.8M928 R929G926-M928 PolarHBondContact O-N 2.92Å; G926-M928 VanDerWaalsContact O-N 3.08Å; G926-R929 WeakPolarHBondContact O-CB 3.39Å; G926-R929 PolarHBondContact O-N 3.18Å; G926-R929 VanDerWaalsContact O-N 3.09Å
927M84.5Confident69.7Low15 Ų1581 Ų817%0.07442%0.417CS..G310 helixtrans-51.3-30.5178.5-162.856.2123.600114L594 D595 R929 K958L594-M927 HydrophobicContact CB-CE 4.23Å; L594-M927 WeakPolarHBondContact O-CB 3.26Å; D595-M927 HydrophobicContact CB-CB 4.16Å; D595-M927 HydrophobicContact CB-CE 3.91Å; D595-M927 HydrophobicContact CB-CG 4.47Å; D595-M927 HydrophobicContact CB-SD 3.84Å; M927-R929 VanDerWaalsContact C-N 3.32Å; M927-R929 PolarHBondContact O-N 3.23Å; M927-K958 HydrophobicContact CE-CG 4.36Å; M927-K958 HydrophobicContact CG-CB 4.16Å; M927-K958 WeakPolarHBondContact O-CB 3.29Å; M927-K958 HydrophobicContact SD-CB 3.39Å; M927-K958 WeakPolarHBondContact SD-CB 3.19Å; M927-K958 HydrophobicContact SD-CD 3.6Å; M927-K958 HydrophobicContact SD-CG 3.42Å; M927-K958 WeakPolarHBondContact SD-CG 3.44Å
928M85.1Confident67.3Low0 Ų084 Ų840%043%0.431CS..G310 helixtrans-84-0.7-175.9-63.5-68.2171.100114.6Q916 L924 K925 G926 I930 V959 W962 L982 C985Q916-M928 HydrophobicContact CG-CE 4.46Å; Q916-M928 HydrophobicContact CG-SD 4.06Å; L924-M928 HydrophobicContact CB-CB 3.94Å; L924-M928 WeakPolarHBondContact CB-O 3.26Å; L924-M928 HydrophobicContact CD1-CB 4.23Å; L924-M928 WeakPolarHBondContact CD1-O 3.36Å; L924-M928 HydrophobicContact CD2-CB 3.91Å; L924-M928 HydrophobicContact CG-CB 4.23Å; K925-M928 PolarHBondContact O-N 3.23Å; G926-M928 PolarHBondContact O-N 2.92Å; G926-M928 VanDerWaalsContact O-N 3.08Å; M928-I930 PolarHBondContact O-N 3.25Å; M928-V959 HydrophobicContact SD-CG1 4.44Å; M928-V959 HydrophobicContact SD-CG2 4.06Å; M928-W962 HydrophobicContact CE-CB 3.76Å; M928-W962 HydrophobicContact CE-CD2 3.36Å; M928-W962 HydrophobicContact CE-CE3 3.79Å; M928-W962 HydrophobicContact CE-CG 3.33Å; M928-L982 HydrophobicContact CE-CD1 4.11Å; M928-L982 HydrophobicContact CG-CD1 4.45Å; M928-L982 HydrophobicContact SD-CD1 4.38Å; M928-C985 HydrophobicContact CB-CB 3.89Å; M928-C985 HydrophobicContact CG-CB 3.44Å; M928-C985 VanDerWaalsContact CG-CB 3.44Å
929R80.5Confident64.8Low131 Ų13193.7 Ų93.749%0.49446%0.463SS..  trans-82.1110.4-174.6-177179.9172-175-11.2111.5G926 M927 D931G926-R929 WeakPolarHBondContact O-CB 3.39Å; G926-R929 PolarHBondContact O-N 3.18Å; G926-R929 VanDerWaalsContact O-N 3.09Å; M927-R929 VanDerWaalsContact C-N 3.32Å; M927-R929 PolarHBondContact O-N 3.23Å; R929-D931 IonicContact CZ-OD1 3.7Å; R929-D931 IonicContact CZ-OD2 3.17Å; R929-D931 VanDerWaalsContact CZ-OD2 3.3Å; R929-D931 VanDerWaalsContact NE-CG 3.26Å; R929-D931 IonicContact NE-OD1 2.76Å; R929-D931 PolarHBondContact NE-OD1 2.86Å; R929-D931 IonicContact NE-OD2 3.23Å; R929-D931 PolarHBondContact NE-OD2 3.14Å; R929-D931 VanDerWaalsContact NE-OD2 3.15Å; R929-D931 IonicContact NH2-OD1 3.45Å; R929-D931 PolarHBondContact NH2-OD1 3.06Å; R929-D931 IonicContact NH2-OD2 2.74Å; R929-D931 PolarHBondContact NH2-OD2 3.3Å; R929-D931 PolarHBondContact O-N 3.05Å
930I69Low62.7Low65 Ų6597.2 Ų97.233%0.33349%0.485SS..  trans-85102.9169.3-54.3173.4000108.8M928 V932 T956 V959M928-I930 PolarHBondContact O-N 3.25Å; I930-V932 PolarHBondContact O-N 2.87Å; I930-T956 HydrophobicContact CG2-CG2 4.09Å; I930-V959 HydrophobicContact CG1-CG2 4.41Å
931D57.7Low61.3Low92 Ų92103.7 Ų103.749%0.49252%0.516SS..  trans-85.5103.5177.7-92.1-34.2000112.4R929 K933R929-D931 IonicContact CZ-OD1 3.7Å; R929-D931 IonicContact CZ-OD2 3.17Å; R929-D931 VanDerWaalsContact CZ-OD2 3.3Å; R929-D931 VanDerWaalsContact NE-CG 3.26Å; R929-D931 IonicContact NE-OD1 2.76Å; R929-D931 PolarHBondContact NE-OD1 2.86Å; R929-D931 IonicContact NE-OD2 3.23Å; R929-D931 PolarHBondContact NE-OD2 3.14Å; R929-D931 VanDerWaalsContact NE-OD2 3.15Å; R929-D931 IonicContact NH2-OD1 3.45Å; R929-D931 PolarHBondContact NH2-OD1 3.06Å; R929-D931 IonicContact NH2-OD2 2.74Å; R929-D931 PolarHBondContact NH2-OD2 3.3Å; R929-D931 PolarHBondContact O-N 3.05Å; D931-K933 PolarHBondContact O-N 3.42Å
932V53.1Low59.9Low106 Ų106101.7 Ų101.764%0.64251%0.512SS*.  trans-83.397.2169-175.30000108.8I930 H934I930-V932 PolarHBondContact O-N 2.87Å; V932-H934 PolarHBondContact O-N 3.14Å
933K40.5Very low58.6Low171 Ų171101.4 Ų101.474%0.74353%0.532SS*.  trans-76102.6172.8-72.2-176.9-178.6174.60110.2D931 S935D931-K933 PolarHBondContact O-N 3.42Å; K933-S935 PolarHBondContact O-N 3.27Å
934H40Very low56.7Low174 Ų174104.3 Ų104.381%0.80655%0.554SS**  trans-70.9105.8161.9-70.2-66.2000109.4V932 N936V932-H934 PolarHBondContact O-N 3.14Å; H934-N936 PolarHBondContact O-N 3.1Å
935S31.6Very low54.4Low103 Ų103109 Ų10972%0.7259%0.586SS**  trans-69.3118.2167.743.10000109.5K933K933-S935 PolarHBondContact O-N 3.27Å
936N34.7Very low52Low149 Ų149114.1 Ų114.180%0.79761%0.611SS**  trans-71124.1170.1-161.423.1000107.7H934 H938H934-N936 PolarHBondContact O-N 3.1Å; N936-H938 PolarHBondContact O-N 3.14Å; N936-H938 VanDerWaalsContact O-N 3.12Å
937P36.9Very low50.1Low92 Ų92117.4 Ų117.460%0.59762%0.623SS**  trans-66.9114.9-178.825.6-33000110.1R939P937-R939 PolarHBondContact O-N 3.36Å
938H38.7Very low47.6Very low180 Ų180120.4 Ų120.483%0.83366%0.658SS**PPolyproline II helixtrans-64.2119.1169.5-101.3-79.5000109N936 T940N936-H938 PolarHBondContact O-N 3.14Å; N936-H938 VanDerWaalsContact O-N 3.12Å; H938-T940 PolarHBondContact O-N 2.9Å
939R36.6Very low45.2Very low233 Ų233128 Ų12888%0.87970%0.698SS**PPolyproline II helixtrans-77.4116.1167.1-69.3-178.1176.9-176.2-2.9108.9P937P937-R939 PolarHBondContact O-N 3.36Å
940T43.5Very low43Very low81 Ų81129.1 Ų129.150%0.49771%0.714SS.*PPolyproline II helixtrans-80.8162.2161.948.30000110H938 D942H938-T940 PolarHBondContact O-N 2.9Å; T940-D942 WeakPolarHBondContact CB-OD1 3.49Å; T940-D942 PolarHBondContact O-N 3.4Å; T940-D942 VanDerWaalsContact O-N 3.14Å; T940-D942 PolarHBondContact OG1-OD1 2.95Å
941H54.4Low41.4Very low203 Ų203132.1 Ų132.194%0.9473%0.73SS**THydrogen-bonded Turntrans-79.17.1-167.5-157.3-69.5000113.8
942D54.2Low40.6Very low118 Ų118137.2 Ų137.263%0.63175%0.748SS**THydrogen-bonded Turntrans-120.9-0.1-169.744.619.5000113.1T940 S944T940-D942 WeakPolarHBondContact CB-OD1 3.49Å; T940-D942 PolarHBondContact O-N 3.4Å; T940-D942 VanDerWaalsContact O-N 3.14Å; T940-D942 PolarHBondContact OG1-OD1 2.95Å; D942-S944 VanDerWaalsContact C-N 3.33Å; D942-S944 PolarHBondContact O-N 3.29Å
943G48.7Very low40.7Very low74 Ų74137.8 Ų137.876%0.76375%0.747SS**  trans80.6-2.2165.100000116.8
944S45.7Very low41.6Very low76 Ų76134.1 Ų134.153%0.53174%0.735SS.*  trans-97.9114.8177.659.80000112.8D942D942-S944 VanDerWaalsContact C-N 3.33Å; D942-S944 PolarHBondContact O-N 3.29Å
945C35.6Very low42.8Very low103 Ų103126.4 Ų126.470%0.69670%0.703SS**  trans-85.8117.2170.7-73.90000111.3
946Q38.6Very low45Very low181 Ų181124.3 Ų124.385%0.84669%0.686SS**  trans-102.6136.1162.9-71.7-165.4-9.400111.3G948Q946-G948 PolarHBondContact O-N 2.88Å
947P41.5Very low47.3Very low118 Ų118123.6 Ų123.677%0.76668%0.678SS**  trans-81.4104.2175.830.3-30000111.4L949P947-L949 PolarHBondContact O-N 3.47Å
948G33.8Very low49.6Very low79 Ų79121.9 Ų121.981%0.81466%0.661SS**  trans-68.7112.7172.900000112.5Q946Q946-G948 PolarHBondContact O-N 2.88Å
949L32.9Very low52Low160 Ų160113.6 Ų113.684%0.83862%0.623SS**  trans-80.1121.3178.6-70.1164.6000112P947P947-L949 PolarHBondContact O-N 3.47Å
950N34.6Very low54.6Low154 Ų154106.4 Ų106.482%0.82460%0.599SS**  trans168.298.2133.2-97.5-69.2000111.1
951L35.2Very low56.9Low127 Ų127105.6 Ų105.667%0.66560%0.595SS**  trans-93.3119.1167.9-81.576000109.2
952K42.9Very low58.8Low200 Ų20096 Ų9687%0.8755%0.55SS*.  trans-83121.2166-74.1-166.6173.9-169.70110.3D954K952-D954 PolarHBondContact O-N 3.17Å
953N53.9Low60.8Low117 Ų11792.2 Ų92.263%0.62653%0.527SS*.  trans-80.136.7-175.7-95.6-6.9000114G955 T956N953-G955 VanDerWaalsContact C-N 3.29Å; N953-G955 PolarHBondContact O-N 2.95Å; N953-G955 VanDerWaalsContact O-N 3.08Å; N953-T956 PolarHBondContact O-N 2.75Å; N953-T956 PolarHBondContact O-OG1 2.97Å
954D59Low62.9Low94 Ų9491.9 Ų91.950%0.50351%0.507SS..Hα-helixtrans-46.7-45.6-171.8-178.945.3000113.8K952 T956 E957 K958K952-D954 PolarHBondContact O-N 3.17Å; D954-T956 VanDerWaalsContact C-N 3.29Å; D954-T956 PolarHBondContact O-N 2.65Å; D954-E957 PolarHBondContact O-N 2.92Å; D954-K958 WeakPolarHBondContact O-CB 3.33Å; D954-K958 VanDerWaalsContact O-CG 3.29Å; D954-K958 WeakPolarHBondContact O-CG 3.25Å; D954-K958 PolarHBondContact O-N 3.31Å; D954-K958 WeakPolarHBondContact OD1-CE 3.33Å
955G66.3Low65.3Low12 Ų1288.9 Ų88.912%0.12449%0.487CS..Hα-helixtrans-67.1-16.9-179.800000116.1N953 V959N953-G955 VanDerWaalsContact C-N 3.29Å; N953-G955 PolarHBondContact O-N 2.95Å; N953-G955 VanDerWaalsContact O-N 3.08Å; G955-V959 WeakPolarHBondContact O-CG2 3.35Å
956T76.8Confident68.1Low60 Ų6084 Ų8437%0.36845%0.454SS..Hα-helixtrans-89.7-39.817759.40000112.3I930 N953 D954 K958 V959 E960I930-T956 HydrophobicContact CG2-CG2 4.09Å; N953-T956 PolarHBondContact O-N 2.75Å; N953-T956 PolarHBondContact O-OG1 2.97Å; D954-T956 VanDerWaalsContact C-N 3.29Å; D954-T956 PolarHBondContact O-N 2.65Å; T956-K958 VanDerWaalsContact C-N 3.26Å; T956-K958 PolarHBondContact O-N 2.88Å; T956-V959 PolarHBondContact O-N 3.4Å; T956-E960 PolarHBondContact O-N 3.35Å
957E82.8Confident70.8Confident134 Ų13479.8 Ų79.863%0.62644%0.437SS*.Hα-helixtrans-59.8-39.5174.8-176.5178.3176.500111.4D954 E960 T961D954-E957 PolarHBondContact O-N 2.92Å; E957-E960 PolarHBondContact O-N 2.87Å; E957-T961 PolarHBondContact O-N 3.13Å; E957-T961 PolarHBondContact O-OG1 2.72Å
958K86.5Confident73.3Confident56 Ų5681.2 Ų81.224%0.24343%0.433CS..Hα-helixtrans-60.3-46173.9-78.9-174.7177.1-1400114.3D595 M927 D954 T956 E960 T961 W962D595-K958 IonicContact OD2-NZ 3.93Å; D595-K958 PolarHBondContact OD2-NZ 2.89Å; M927-K958 HydrophobicContact CE-CG 4.36Å; M927-K958 HydrophobicContact CG-CB 4.16Å; M927-K958 WeakPolarHBondContact O-CB 3.29Å; M927-K958 HydrophobicContact SD-CB 3.39Å; M927-K958 WeakPolarHBondContact SD-CB 3.19Å; M927-K958 HydrophobicContact SD-CD 3.6Å; M927-K958 HydrophobicContact SD-CG 3.42Å; M927-K958 WeakPolarHBondContact SD-CG 3.44Å; D954-K958 WeakPolarHBondContact O-CB 3.33Å; D954-K958 VanDerWaalsContact O-CG 3.29Å; D954-K958 WeakPolarHBondContact O-CG 3.25Å; D954-K958 PolarHBondContact O-N 3.31Å; D954-K958 WeakPolarHBondContact OD1-CE 3.33Å; T956-K958 VanDerWaalsContact C-N 3.26Å; T956-K958 PolarHBondContact O-N 2.88Å; K958-E960 VanDerWaalsContact C-N 3.35Å; K958-T961 PolarHBondContact O-N 2.91Å; K958-W962 PolarHBondContact O-N 3.4Å
959V88.7Confident76.2Confident5 Ų577.7 Ų77.73%0.0340%0.396CS..Hα-helixtrans-64.4-41.4174.1171.80000110.9M928 I930 G955 T956 T961 W962 R963M928-V959 HydrophobicContact SD-CG1 4.44Å; M928-V959 HydrophobicContact SD-CG2 4.06Å; I930-V959 HydrophobicContact CG1-CG2 4.41Å; G955-V959 WeakPolarHBondContact O-CG2 3.35Å; T956-V959 PolarHBondContact O-N 3.4Å; V959-T961 VanDerWaalsContact C-N 3.34Å; V959-T961 PolarHBondContact O-N 3.39Å; V959-W962 PolarHBondContact O-N 3.41Å; V959-R963 PolarHBondContact O-N 2.88Å
960E90.4Very high79Confident82 Ų8274 Ų7438%0.38338%0.381SS..Hα-helixtrans-68.1-34.3-179.7-155.554.4-141.900112.2T956 E957 K958 W962 R963 N964T956-E960 PolarHBondContact O-N 3.35Å; E957-E960 PolarHBondContact O-N 2.87Å; K958-E960 VanDerWaalsContact C-N 3.35Å; E960-W962 VanDerWaalsContact C-N 3.31Å; E960-W962 PolarHBondContact O-N 2.98Å; E960-R963 PolarHBondContact O-N 2.77Å; E960-R963 VanDerWaalsContact O-N 3.15Å; E960-R963 VanDerWaalsContact OE2-CD 3.25Å; E960-R963 WeakPolarHBondContact OE2-CD 3.33Å; E960-R963 IonicContact OE2-NE 2.7Å; E960-R963 PolarHBondContact OE2-NE 2.79Å; E960-R963 VanDerWaalsContact OE2-NE 3.17Å; E960-N964 WeakPolarHBondContact O-CB 3.27Å; E960-N964 PolarHBondContact O-N 3.47Å; E960-N964 PolarHBondContact O-ND2 3.3Å; E960-N964 VanDerWaalsContact O-ND2 3.17Å
961T92.3Very high81.9Confident65 Ų6566.8 Ų66.840%0.39934%0.342SS..Hα-helixtrans-57.5-42.7171-55.80000111.6L594 E957 K958 V959 A965L594-T961 HydrophobicContact CD2-CG2 3.95Å; E957-T961 PolarHBondContact O-N 3.13Å; E957-T961 PolarHBondContact O-OG1 2.72Å; K958-T961 PolarHBondContact O-N 2.91Å; V959-T961 VanDerWaalsContact C-N 3.34Å; V959-T961 PolarHBondContact O-N 3.39Å; T961-A965 PolarHBondContact O-N 2.99Å
962W94.8Very high84.8Confident0 Ų062.6 Ų62.60%032%0.317CS..Hα-helixtrans-68.8-39.5173.8176.396.7000112.5L594 L912 I913 Q916 M928 K958 V959 E960 N964 A965 V966 L978 L982L594-W962 HydrophobicContact CD1-CB 4.3Å; L594-W962 HydrophobicContact CD1-CG 4.44Å; L912-W962 HydrophobicContact CD2-CH2 4.48Å; L912-W962 HydrophobicContact CD2-CZ2 4.23Å; L912-W962 HydrophobicContact CG-CH2 4.01Å; L912-W962 HydrophobicContact CG-CZ2 4.16Å; I913-W962 HydrophobicContact CG1-CZ3 4.39Å; Q916-W962 HydrophobicContact CB-CH2 3.85Å; Q916-W962 HydrophobicContact CB-CZ3 3.74Å; Q916-W962 HydrophobicContact CG-CE3 4.36Å; Q916-W962 HydrophobicContact CG-CH2 4.23Å; Q916-W962 HydrophobicContact CG-CZ3 3.81Å; M928-W962 HydrophobicContact CE-CB 3.76Å; M928-W962 HydrophobicContact CE-CD2 3.36Å; M928-W962 HydrophobicContact CE-CE3 3.79Å; M928-W962 HydrophobicContact CE-CG 3.33Å; K958-W962 PolarHBondContact O-N 3.4Å; V959-W962 PolarHBondContact O-N 3.41Å; E960-W962 VanDerWaalsContact C-N 3.31Å; E960-W962 PolarHBondContact O-N 2.98Å; W962-N964 VanDerWaalsContact C-N 3.34Å; W962-N964 PolarHBondContact O-N 3.33Å; W962-A965 PolarHBondContact O-N 3.09Å; W962-V966 HydrophobicContact CD2-CG2 3.98Å; W962-V966 HydrophobicContact CE3-CG2 4.2Å; W962-V966 HydrophobicContact CH2-CG2 3.89Å; W962-V966 HydrophobicContact CZ2-CG2 3.65Å; W962-V966 HydrophobicContact CZ3-CG2 4.15Å; W962-V966 WeakPolarHBondContact O-CG2 3.27Å; W962-V966 PolarHBondContact O-N 3.05Å; W962-L978 PolarHBondContact NE1-O 2.9Å; W962-L982 HydrophobicContact CH2-CB 4.48Å; W962-L982 HydrophobicContact CH2-CD2 3.9Å; W962-L982 HydrophobicContact CZ2-CB 3.77Å; W962-L982 HydrophobicContact CZ2-CD2 3.96Å; W962-L982 HydrophobicContact CZ2-CG 4.33Å
963R94.9Very high87.2Confident40 Ų4053.1 Ų53.115%0.15128%0.277CS..Hα-helixtrans-58.7-47.6174.6-67.1-165.4-155.5-71.1-12.4111.1Q916 V959 E960 A965 V966 L967Q916-R963 VanDerWaalsContact OE1-CZ 3.25Å; V959-R963 PolarHBondContact O-N 2.88Å; E960-R963 PolarHBondContact O-N 2.77Å; E960-R963 VanDerWaalsContact O-N 3.15Å; E960-R963 VanDerWaalsContact OE2-CD 3.25Å; E960-R963 WeakPolarHBondContact OE2-CD 3.33Å; E960-R963 IonicContact OE2-NE 2.7Å; E960-R963 PolarHBondContact OE2-NE 2.79Å; E960-R963 VanDerWaalsContact OE2-NE 3.17Å; R963-A965 VanDerWaalsContact C-N 3.32Å; R963-A965 PolarHBondContact O-N 3.26Å; R963-V966 PolarHBondContact O-N 2.76Å; R963-V966 VanDerWaalsContact O-N 3.1Å; R963-L967 WeakPolarHBondContact O-CG 3.3Å; R963-L967 PolarHBondContact O-N 2.7Å
964N94.6Very high89.2Confident66 Ų6648.8 Ų48.835%0.35325%0.251SS..Hα-helixtrans-60.2-41.4176.9-73.7-38.8000111.4E960 W962 V966 L967 Q968E960-N964 WeakPolarHBondContact O-CB 3.27Å; E960-N964 PolarHBondContact O-N 3.47Å; E960-N964 PolarHBondContact O-ND2 3.3Å; E960-N964 VanDerWaalsContact O-ND2 3.17Å; W962-N964 VanDerWaalsContact C-N 3.34Å; W962-N964 PolarHBondContact O-N 3.33Å; N964-V966 VanDerWaalsContact C-N 3.33Å; N964-V966 PolarHBondContact O-N 3.47Å; N964-L967 PolarHBondContact O-N 2.83Å; N964-Q968 VanDerWaalsContact O-CB 3.26Å; N964-Q968 WeakPolarHBondContact O-CB 3.47Å; N964-Q968 VanDerWaalsContact O-CG 3.24Å; N964-Q968 WeakPolarHBondContact O-CG 3.43Å; N964-Q968 PolarHBondContact O-N 3.26Å
965A94.3Very high91Very high13 Ų1344.3 Ų44.311%0.10723%0.227CC..Hα-helixtrans-62.1-35.5173.700000113.5L594 T961 W962 R963 C969 L978L594-A965 HydrophobicContact CD1-CB 4.12Å; T961-A965 PolarHBondContact O-N 2.99Å; W962-A965 PolarHBondContact O-N 3.09Å; R963-A965 VanDerWaalsContact C-N 3.32Å; R963-A965 PolarHBondContact O-N 3.26Å; A965-C969 WeakPolarHBondContact O-CB 3.38Å; A965-C969 PolarHBondContact O-N 3.34Å; A965-C969 VanDerWaalsContact O-N 3.15Å; A965-L978 HydrophobicContact CB-CD1 4.17Å; A965-L978 HydrophobicContact CB-CD2 3.82Å; A965-L978 VanDerWaalsContact O-CD1 3.3Å; A965-L978 WeakPolarHBondContact O-CD1 3.24Å
966V96.1Very high92.4Very high0 Ų043.8 Ų43.80%022%0.222CC..Hα-helixtrans-71-41.1172.91750000111.4K909 L912 I913 W962 R963 N964 Q968 C969 L975 L978K909-V966 HydrophobicContact CB-CG1 4.11Å; K909-V966 VanDerWaalsContact CD-O 3.26Å; K909-V966 WeakPolarHBondContact CD-O 3.5Å; K909-V966 WeakPolarHBondContact CE-O 3.47Å; K909-V966 HydrophobicContact CG-CG1 4.27Å; K909-V966 WeakPolarHBondContact CG-O 3.33Å; L912-V966 HydrophobicContact CD2-CG1 4.1Å; L912-V966 HydrophobicContact CD2-CG2 4.09Å; I913-V966 HydrophobicContact CD1-CB 4.32Å; I913-V966 HydrophobicContact CD1-CG1 3.97Å; I913-V966 HydrophobicContact CG1-CB 4.28Å; I913-V966 HydrophobicContact CG1-CG1 3.87Å; W962-V966 HydrophobicContact CD2-CG2 3.98Å; W962-V966 HydrophobicContact CE3-CG2 4.2Å; W962-V966 HydrophobicContact CH2-CG2 3.89Å; W962-V966 HydrophobicContact CZ2-CG2 3.65Å; W962-V966 HydrophobicContact CZ3-CG2 4.15Å; W962-V966 WeakPolarHBondContact O-CG2 3.27Å; W962-V966 PolarHBondContact O-N 3.05Å; R963-V966 PolarHBondContact O-N 2.76Å; R963-V966 VanDerWaalsContact O-N 3.1Å; N964-V966 VanDerWaalsContact C-N 3.33Å; N964-V966 PolarHBondContact O-N 3.47Å; V966-Q968 VanDerWaalsContact C-N 3.33Å; V966-Q968 PolarHBondContact O-N 3.17Å; V966-C969 PolarHBondContact O-SG 3.32Å; V966-L975 HydrophobicContact CG1-CD1 4.18Å; V966-L978 HydrophobicContact CB-CD1 4.47Å; V966-L978 HydrophobicContact CG2-CB 3.93Å; V966-L978 HydrophobicContact CG2-CD1 3.89Å; V966-L978 HydrophobicContact CG2-CG 4.35Å
967L95.5Very high93.3Very high93 Ų9340.9 Ų40.949%0.48720%0.204SC..Hα-helixtrans-66.1-36.5177.3-69175.3000112.2K909 I913 R963 N964K909-L967 WeakPolarHBondContact CE-O 3.35Å; K909-L967 PolarHBondContact NZ-O 2.96Å; I913-L967 HydrophobicContact CD1-CD2 3.63Å; I913-L967 HydrophobicContact CD1-CG 3.84Å; R963-L967 WeakPolarHBondContact O-CG 3.3Å; R963-L967 PolarHBondContact O-N 2.7Å; N964-L967 PolarHBondContact O-N 2.83Å
968Q93.3Very high94Very high148 Ų14834.5 Ų34.569%0.69217%0.174SC*.Hα-helixtrans-86-10.7-178.4-68.6173.2-3.900114.4N964 V966 T970N964-Q968 VanDerWaalsContact O-CB 3.26Å; N964-Q968 WeakPolarHBondContact O-CB 3.47Å; N964-Q968 VanDerWaalsContact O-CG 3.24Å; N964-Q968 WeakPolarHBondContact O-CG 3.43Å; N964-Q968 PolarHBondContact O-N 3.26Å; V966-Q968 VanDerWaalsContact C-N 3.33Å; V966-Q968 PolarHBondContact O-N 3.17Å; Q968-T970 PolarHBondContact O-N 3.12Å
969C93.7Very high94.5Very high5 Ų532.1 Ų32.13%0.03416%0.164CC..  trans-64.2136.9-175.773.20000112.7L905 K909 A965 V966 R974 L978L905-C969 WeakPolarHBondContact CD2-O 3.24Å; K909-C969 WeakPolarHBondContact CE-O 3.44Å; K909-C969 WeakPolarHBondContact CE-SG 3.1Å; K909-C969 PolarHBondContact NZ-O 3.07Å; A965-C969 WeakPolarHBondContact O-CB 3.38Å; A965-C969 PolarHBondContact O-N 3.34Å; A965-C969 VanDerWaalsContact O-N 3.15Å; V966-C969 PolarHBondContact O-SG 3.32Å; C969-R974 HydrophobicContact CB-CB 4.04Å; C969-R974 HydrophobicContact CB-CG 3.55Å; C969-L978 HydrophobicContact CB-CD1 4.21Å
970T93.5Very high94.8Very high84 Ų8432.5 Ų32.552%0.51517%0.165SC..  trans-110.5-26.8-176.926.30000112.3G654 Q968G654-T970 PolarHBondContact O-OG1 2.9Å; Q968-T970 PolarHBondContact O-N 3.12Å
971T94.9Very high95Very high1 Ų128.6 Ų28.61%0.00615%0.147CC..SBendtrans-108.4146.2178.256.30000112.3R656 E657 L905 S973 R974 L975R656-T971 VanDerWaalsContact C-CG2 3.41Å; R656-T971 WeakPolarHBondContact O-CG2 3.37Å; E657-T971 WeakPolarHBondContact OE1-CA 3.28Å; E657-T971 WeakPolarHBondContact OE1-CB 3.39Å; L905-T971 WeakPolarHBondContact CD1-O 3.49Å; T971-S973 PolarHBondContact O-N 3.01Å; T971-R974 PolarHBondContact O-N 3.18Å; T971-R974 VanDerWaalsContact OG1-CB 3.32Å; T971-R974 WeakPolarHBondContact OG1-CB 3.45Å; T971-R974 PolarHBondContact OG1-N 2.62Å; T971-L975 PolarHBondContact O-N 3.27Å; T971-L975 VanDerWaalsContact O-N 3.12Å
972W94.8Very high95.1Very high39 Ų3925.5 Ų25.515%0.14813%0.128CC..Hα-helixtrans-56.5-41.8168.7-67.899.2000110.1E657 H866 R867 F870 L905 F908 R974 L975 F976E657-W972 WeakPolarHBondContact OE1-CB 3.26Å; E657-W972 PolarHBondContact OE1-N 2.98Å; H866-W972 HydrophobicContact CB-CB 3.94Å; H866-W972 HydrophobicContact CB-CD2 3.67Å; H866-W972 HydrophobicContact CB-CE3 4.28Å; H866-W972 HydrophobicContact CB-CG 3.49Å; H866-W972 VanDerWaalsContact CB-CG 3.49Å; R867-W972 HydrophobicContact CB-CH2 3.57Å; R867-W972 HydrophobicContact CB-CZ2 3.76Å; R867-W972 HydrophobicContact CB-CZ3 4.32Å; R867-W972 HydrophobicContact CG-CH2 3.95Å; R867-W972 HydrophobicContact CG-CZ2 4.42Å; F870-W972 HydrophobicContact CB-CE3 4Å; F870-W972 HydrophobicContact CB-CZ3 3.81Å; F870-W972 HydrophobicContact CD1-CZ3 4.31Å; F870-W972 HydrophobicContact CG-CE3 4.24Å; F870-W972 HydrophobicContact CG-CZ3 4.08Å; L905-W972 HydrophobicContact CB-CD2 4.38Å; L905-W972 HydrophobicContact CB-CH2 4.18Å; L905-W972 HydrophobicContact CB-CZ2 3.88Å; L905-W972 HydrophobicContact CD1-CB 4.39Å; L905-W972 HydrophobicContact CD1-CD2 3.95Å; L905-W972 HydrophobicContact CD1-CE3 4.39Å; L905-W972 HydrophobicContact CD1-CG 3.94Å; F908-W972 AromaticContact CD2-CH2 3.76Å; F908-W972 HydrophobicContact CD2-CH2 3.76Å; F908-W972 AromaticContact CD2-CZ3 3.95Å; F908-W972 HydrophobicContact CD2-CZ3 3.95Å; F908-W972 AromaticContact CE2-CH2 3.78Å; F908-W972 HydrophobicContact CE2-CH2 3.78Å; F908-W972 HydrophobicContact CE2-CZ3 4.19Å; W972-R974 VanDerWaalsContact C-N 3.27Å; W972-R974 PolarHBondContact O-N 3.06Å; W972-L975 HydrophobicContact CE3-CD2 4.46Å; W972-L975 CarbonylContact O-C 3.54Å; W972-L975 WeakPolarHBondContact O-CA 3.16Å; W972-L975 PolarHBondContact O-N 3.39Å; W972-F976 HydrophobicContact CB-CD2 4.33Å; W972-F976 HydrophobicContact CB-CE2 4.43Å; W972-F976 VanDerWaalsContact O-CD2 3.3Å; W972-F976 WeakPolarHBondContact O-CD2 3.3Å; W972-F976 PolarHBondContact O-N 3.21Å
973S94.6Very high95Very high2 Ų230 Ų301%0.01415%0.145CC..Hα-helixtrans-54.8-42.6177.8-56.70000112.6Y606 E657 T971 L977Y606-S973 WeakPolarHBondContact O-CA 3.46Å; Y606-S973 VanDerWaalsContact O-CB 3.31Å; Y606-S973 WeakPolarHBondContact O-CB 3.37Å; Y606-S973 PolarHBondContact O-OG 3.16Å; E657-S973 PolarHBondContact OE2-OG 3.03Å; T971-S973 PolarHBondContact O-N 3.01Å; S973-L977 PolarHBondContact O-N 3.39Å; S973-L977 VanDerWaalsContact O-N 3.16Å
974R95.6Very high94.8Very high25 Ų2529 Ų299%0.09415%0.145CC..Hα-helixtrans-66.7-41.9173.4-178.265.5-177.8171.61.1112.5E593 E610 C969 T971 W972 L977 L978E593-R974 IonicContact OE1-CZ 3.17Å; E593-R974 IonicContact OE1-NH1 2.7Å; E593-R974 PolarHBondContact OE1-NH1 2.98Å; E593-R974 IonicContact OE1-NH2 2.7Å; E593-R974 PolarHBondContact OE1-NH2 3.34Å; E610-R974 VanDerWaalsContact CD-CD 3.48Å; E610-R974 WeakPolarHBondContact OE1-CD 3.36Å; E610-R974 IonicContact OE1-CZ 2.69Å; E610-R974 IonicContact OE1-NE 3.11Å; E610-R974 IonicContact OE1-NH1 3.72Å; E610-R974 PolarHBondContact OE1-NH1 3.45Å; C969-R974 HydrophobicContact CB-CB 4.04Å; C969-R974 HydrophobicContact CB-CG 3.55Å; T971-R974 PolarHBondContact O-N 3.18Å; T971-R974 VanDerWaalsContact OG1-CB 3.32Å; T971-R974 WeakPolarHBondContact OG1-CB 3.45Å; T971-R974 PolarHBondContact OG1-N 2.62Å; W972-R974 VanDerWaalsContact C-N 3.27Å; W972-R974 PolarHBondContact O-N 3.06Å; R974-L977 PolarHBondContact O-N 3Å; R974-L978 HydrophobicContact CG-CD1 3.96Å; R974-L978 WeakPolarHBondContact O-CD1 3.48Å; R974-L978 VanDerWaalsContact O-CG 3.27Å; R974-L978 WeakPolarHBondContact O-CG 3.43Å; R974-L978 PolarHBondContact O-N 3.27Å
975L96.7Very high94.6Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-66.9-41.9-179.8-174.464.2000112.4F870 L905 F908 L912 V966 T971 W972 L978 M979F870-L975 HydrophobicContact CD1-CD2 4.23Å; F870-L975 HydrophobicContact CD2-CD2 4.36Å; F870-L975 HydrophobicContact CD2-CG 4.38Å; F870-L975 HydrophobicContact CE1-CD2 3.81Å; F870-L975 HydrophobicContact CE1-CG 4.21Å; F870-L975 HydrophobicContact CE2-CB 4.38Å; F870-L975 HydrophobicContact CE2-CD2 3.97Å; F870-L975 HydrophobicContact CE2-CG 3.64Å; F870-L975 HydrophobicContact CZ-CD1 4.22Å; F870-L975 HydrophobicContact CZ-CD2 3.68Å; F870-L975 HydrophobicContact CZ-CG 3.55Å; L905-L975 HydrophobicContact CG-CD2 4.16Å; F908-L975 HydrophobicContact CB-CD2 4.01Å; L912-L975 HydrophobicContact CD2-CD1 3.68Å; V966-L975 HydrophobicContact CG1-CD1 4.18Å; T971-L975 PolarHBondContact O-N 3.27Å; T971-L975 VanDerWaalsContact O-N 3.12Å; W972-L975 HydrophobicContact CE3-CD2 4.46Å; W972-L975 CarbonylContact O-C 3.54Å; W972-L975 WeakPolarHBondContact O-CA 3.16Å; W972-L975 PolarHBondContact O-N 3.39Å; L975-L978 PolarHBondContact O-N 3.18Å; L975-M979 PolarHBondContact O-N 2.85Å
976F96.6Very high94.4Very high1 Ų125.6 Ų25.60%0.00413%0.125CC..Hα-helixtrans-57.3-50.2171.4-86.8-77.9000110.8Y606 T607 M869 F870 K873 W972 L978 M979 Y980Y606-F976 HydrophobicContact CD1-CD2 4.49Å; Y606-F976 AromaticContact CD1-CE2 3.77Å; Y606-F976 HydrophobicContact CD1-CE2 3.77Å; Y606-F976 AromaticContact CD1-CZ 3.94Å; Y606-F976 HydrophobicContact CD1-CZ 3.94Å; Y606-F976 HydrophobicContact CG-CD2 4.32Å; Y606-F976 HydrophobicContact CG-CE1 4.37Å; Y606-F976 AromaticContact CG-CE2 3.9Å; Y606-F976 HydrophobicContact CG-CE2 3.9Å; Y606-F976 AromaticContact CG-CZ 3.91Å; Y606-F976 HydrophobicContact CG-CZ 3.91Å; T607-F976 HydrophobicContact CG2-CB 3.96Å; M869-F976 HydrophobicContact CB-CZ 4.13Å; M869-F976 HydrophobicContact CG-CE1 4.2Å; M869-F976 HydrophobicContact CG-CZ 3.98Å; F870-F976 HydrophobicContact CB-CE1 4.14Å; F870-F976 HydrophobicContact CB-CE2 3.95Å; F870-F976 HydrophobicContact CB-CZ 3.59Å; F870-F976 AromaticContact CD2-CD1 3.76Å; F870-F976 HydrophobicContact CD2-CD1 3.76Å; F870-F976 AromaticContact CD2-CD2 3.93Å; F870-F976 HydrophobicContact CD2-CD2 3.93Å; F870-F976 AromaticContact CD2-CE1 3.74Å; F870-F976 HydrophobicContact CD2-CE1 3.74Å; F870-F976 AromaticContact CD2-CE2 3.9Å; F870-F976 HydrophobicContact CD2-CE2 3.9Å; F870-F976 AromaticContact CD2-CG 3.86Å; F870-F976 HydrophobicContact CD2-CG 3.86Å; F870-F976 AromaticContact CD2-CZ 3.82Å; F870-F976 HydrophobicContact CD2-CZ 3.82Å; F870-F976 HydrophobicContact CE2-CD1 4.32Å; F870-F976 HydrophobicContact CE2-CG 4.36Å; F870-F976 HydrophobicContact CG-CE1 4.41Å; F870-F976 HydrophobicContact CG-CE2 4.42Å; F870-F976 HydrophobicContact CG-CZ 4.22Å; K873-F976 HydrophobicContact CG-CE1 4.45Å; W972-F976 HydrophobicContact CB-CD2 4.33Å; W972-F976 HydrophobicContact CB-CE2 4.43Å; W972-F976 VanDerWaalsContact O-CD2 3.3Å; W972-F976 WeakPolarHBondContact O-CD2 3.3Å; W972-F976 PolarHBondContact O-N 3.21Å; F976-L978 VanDerWaalsContact C-N 3.32Å; F976-L978 PolarHBondContact O-N 3.12Å; F976-M979 HydrophobicContact CD1-CE 3.89Å; F976-M979 HydrophobicContact CE1-CE 4.39Å; F976-M979 WeakPolarHBondContact O-CB 3.49Å; F976-M979 PolarHBondContact O-N 3.28Å; F976-Y980 HydrophobicContact CB-CE2 4.42Å; F976-Y980 HydrophobicContact CD1-CE2 4.29Å; F976-Y980 WeakPolarHBondContact O-CD2 3.33Å; F976-Y980 PolarHBondContact O-N 3.22Å
977L95.9Very high93.8Very high0 Ų028 Ų280%014%0.136CC..Hα-helixtrans-58.6-42.7178.5-164.592.1000112.1E593 L601 E610 F611 I614 S973 R974 M979 Y980 I981E593-L977 HydrophobicContact CG-CD2 3.96Å; L601-L977 HydrophobicContact CD1-CD1 3.83Å; L601-L977 HydrophobicContact CD1-CD2 4.42Å; L601-L977 HydrophobicContact CD1-CG 4.06Å; E610-L977 HydrophobicContact CG-CB 3.96Å; E610-L977 HydrophobicContact CG-CD1 4.46Å; E610-L977 HydrophobicContact CG-CD2 3.76Å; E610-L977 HydrophobicContact CG-CG 4.26Å; F611-L977 HydrophobicContact CD2-CD1 3.77Å; F611-L977 HydrophobicContact CE2-CD1 3.5Å; F611-L977 HydrophobicContact CZ-CD1 4.43Å; I614-L977 HydrophobicContact CD1-CD2 3.55Å; S973-L977 PolarHBondContact O-N 3.39Å; S973-L977 VanDerWaalsContact O-N 3.16Å; R974-L977 PolarHBondContact O-N 3Å; L977-M979 VanDerWaalsContact C-N 3.34Å; L977-M979 PolarHBondContact O-N 3.15Å; L977-Y980 CarbonylContact O-C 3.52Å; L977-Y980 PolarHBondContact O-N 3.37Å; L977-Y980 VanDerWaalsContact O-N 3.12Å; L977-I981 HydrophobicContact CD2-CD1 3.89Å; L977-I981 HydrophobicContact CG-CD1 4.2Å; L977-I981 WeakPolarHBondContact O-CG1 3.27Å; L977-I981 PolarHBondContact O-N 2.96Å
978L96.6Very high93.2Very high0 Ų027.2 Ų27.20%013%0.126CC..Hα-helixtrans-65.6-35.3179.4-71.3165.5000112.9L594 W962 A965 V966 C969 R974 L975 F976 I981 L982L594-L978 HydrophobicContact CD1-CD2 3.52Å; W962-L978 PolarHBondContact NE1-O 2.9Å; A965-L978 HydrophobicContact CB-CD1 4.17Å; A965-L978 HydrophobicContact CB-CD2 3.82Å; A965-L978 VanDerWaalsContact O-CD1 3.3Å; A965-L978 WeakPolarHBondContact O-CD1 3.24Å; V966-L978 HydrophobicContact CB-CD1 4.47Å; V966-L978 HydrophobicContact CG2-CB 3.93Å; V966-L978 HydrophobicContact CG2-CD1 3.89Å; V966-L978 HydrophobicContact CG2-CG 4.35Å; C969-L978 HydrophobicContact CB-CD1 4.21Å; R974-L978 HydrophobicContact CG-CD1 3.96Å; R974-L978 WeakPolarHBondContact O-CD1 3.48Å; R974-L978 VanDerWaalsContact O-CG 3.27Å; R974-L978 WeakPolarHBondContact O-CG 3.43Å; R974-L978 PolarHBondContact O-N 3.27Å; L975-L978 PolarHBondContact O-N 3.18Å; F976-L978 VanDerWaalsContact C-N 3.32Å; F976-L978 PolarHBondContact O-N 3.12Å; L978-I981 HydrophobicContact CD2-CD1 4.4Å; L978-I981 PolarHBondContact O-N 3.01Å; L978-L982 PolarHBondContact O-N 3.31Å; L978-L982 VanDerWaalsContact O-N 3.1Å
979M96Very high92.1Very high5 Ų528.5 Ų28.53%0.02513%0.129CC..Hα-helixtrans-64.3-41.7169.9179.1-174.966.400111.4F870 K873 L874 F877 L912 L975 F976 L977 L982 R983F870-M979 HydrophobicContact CD2-CE 4.49Å; F870-M979 HydrophobicContact CE2-CB 4.2Å; F870-M979 HydrophobicContact CE2-CE 4.13Å; F870-M979 HydrophobicContact CE2-SD 3.93Å; F870-M979 HydrophobicContact CZ-CB 4.39Å; F870-M979 HydrophobicContact CZ-SD 4.07Å; K873-M979 HydrophobicContact CB-CE 3.73Å; K873-M979 HydrophobicContact CB-SD 4.32Å; L874-M979 HydrophobicContact CB-SD 4.47Å; L874-M979 HydrophobicContact CD1-SD 4.4Å; F877-M979 HydrophobicContact CD1-CG 3.79Å; F877-M979 HydrophobicContact CD1-SD 4.38Å; F877-M979 HydrophobicContact CE1-CG 4.07Å; L912-M979 HydrophobicContact CD1-CB 4.03Å; L912-M979 HydrophobicContact CD1-CG 4.04Å; L912-M979 HydrophobicContact CD2-CB 4.25Å; L975-M979 PolarHBondContact O-N 2.85Å; F976-M979 HydrophobicContact CD1-CE 3.89Å; F976-M979 HydrophobicContact CE1-CE 4.39Å; F976-M979 WeakPolarHBondContact O-CB 3.49Å; F976-M979 PolarHBondContact O-N 3.28Å; L977-M979 VanDerWaalsContact C-N 3.34Å; L977-M979 PolarHBondContact O-N 3.15Å; M979-L982 WeakPolarHBondContact O-CB 3.48Å; M979-L982 PolarHBondContact O-N 3.02Å; M979-R983 WeakPolarHBondContact O-CB 3.46Å; M979-R983 PolarHBondContact O-N 2.93Å
980Y95Very high90.5Very high13 Ų1335.8 Ų35.85%0.05116%0.161CC..Hα-helixtrans-66.5-37.7175.5-73.5-59.7000113.2E602 N604 T607 F976 L977 L982 R983 A984E602-Y980 HydrophobicContact CB-CD1 4.07Å; E602-Y980 HydrophobicContact CB-CE1 3.83Å; E602-Y980 HydrophobicContact CB-CE2 4.34Å; E602-Y980 HydrophobicContact CB-CG 4.43Å; E602-Y980 HydrophobicContact CG-CD1 4.12Å; E602-Y980 HydrophobicContact CG-CE1 3.89Å; E602-Y980 WeakPolarHBondContact OE2-CE1 3.44Å; E602-Y980 VanDerWaalsContact OE2-CZ 3.3Å; E602-Y980 PolarHBondContact OE2-OH 3.05Å; N604-Y980 PolarHBondContact ND2-OH 3.08Å; N604-Y980 VanDerWaalsContact ND2-OH 3.09Å; T607-Y980 HydrophobicContact CG2-CD2 3.59Å; T607-Y980 HydrophobicContact CG2-CE2 3.62Å; F976-Y980 HydrophobicContact CB-CE2 4.42Å; F976-Y980 HydrophobicContact CD1-CE2 4.29Å; F976-Y980 WeakPolarHBondContact O-CD2 3.33Å; F976-Y980 PolarHBondContact O-N 3.22Å; L977-Y980 CarbonylContact O-C 3.52Å; L977-Y980 PolarHBondContact O-N 3.37Å; L977-Y980 VanDerWaalsContact O-N 3.12Å; Y980-L982 VanDerWaalsContact C-N 3.33Å; Y980-L982 PolarHBondContact O-N 3.46Å; Y980-R983 PolarHBondContact O-N 3.38Å; Y980-A984 VanDerWaalsContact O-CB 3.27Å; Y980-A984 WeakPolarHBondContact O-CB 3.35Å; Y980-A984 PolarHBondContact O-N 3.18Å
981I94.6Very high88.6Confident0 Ų032.3 Ų32.30%014%0.139CC..Hα-helixtrans-59.8-43.6171.9-73.1165.7000110.6E593 L594 L601 L977 L978 A984 C985E593-I981 HydrophobicContact CB-CD1 4.47Å; E593-I981 HydrophobicContact CG-CD1 4.01Å; L594-I981 HydrophobicContact CB-CD1 4.47Å; L594-I981 HydrophobicContact CD1-CD1 4.31Å; L601-I981 HydrophobicContact CD1-CD1 4.31Å; L601-I981 HydrophobicContact CD1-CG1 3.76Å; L601-I981 HydrophobicContact CD2-CB 4.49Å; L601-I981 HydrophobicContact CD2-CG1 3.8Å; L601-I981 HydrophobicContact CG-CG1 4.46Å; L977-I981 HydrophobicContact CD2-CD1 3.89Å; L977-I981 HydrophobicContact CG-CD1 4.2Å; L977-I981 WeakPolarHBondContact O-CG1 3.27Å; L977-I981 PolarHBondContact O-N 2.96Å; L978-I981 HydrophobicContact CD2-CD1 4.4Å; L978-I981 PolarHBondContact O-N 3.01Å; I981-A984 PolarHBondContact O-N 2.94Å; I981-C985 WeakPolarHBondContact O-CB 3.11Å; I981-C985 PolarHBondContact O-N 2.61Å; I981-C985 PolarHBondContact O-SG 2.93Å
982L94.3Very high86.4Confident0 Ų035.6 Ų35.60%016%0.159CC..Hα-helixtrans-62.7-46.7174.5177.261.6000111.7F877 L912 L915 Q916 M928 W962 L978 M979 Y980 A984 C985 I986F877-L982 HydrophobicContact CE1-CB 4.39Å; F877-L982 HydrophobicContact CE1-CD2 3.95Å; F877-L982 HydrophobicContact CE1-CG 4.07Å; F877-L982 HydrophobicContact CZ-CD2 4.16Å; F877-L982 HydrophobicContact CZ-CG 3.95Å; L912-L982 HydrophobicContact CD1-CD2 3.99Å; L915-L982 HydrophobicContact CD2-CD2 3.69Å; Q916-L982 HydrophobicContact CB-CD1 3.86Å; Q916-L982 HydrophobicContact CB-CD2 3.8Å; Q916-L982 HydrophobicContact CG-CD1 3.59Å; Q916-L982 HydrophobicContact CG-CD2 4.46Å; M928-L982 HydrophobicContact CE-CD1 4.11Å; M928-L982 HydrophobicContact CG-CD1 4.45Å; M928-L982 HydrophobicContact SD-CD1 4.38Å; W962-L982 HydrophobicContact CH2-CB 4.48Å; W962-L982 HydrophobicContact CH2-CD2 3.9Å; W962-L982 HydrophobicContact CZ2-CB 3.77Å; W962-L982 HydrophobicContact CZ2-CD2 3.96Å; W962-L982 HydrophobicContact CZ2-CG 4.33Å; L978-L982 PolarHBondContact O-N 3.31Å; L978-L982 VanDerWaalsContact O-N 3.1Å; M979-L982 WeakPolarHBondContact O-CB 3.48Å; M979-L982 PolarHBondContact O-N 3.02Å; Y980-L982 VanDerWaalsContact C-N 3.33Å; Y980-L982 PolarHBondContact O-N 3.46Å; L982-A984 VanDerWaalsContact C-N 3.33Å; L982-A984 PolarHBondContact O-N 3.25Å; L982-C985 PolarHBondContact O-N 3.43Å; L982-C985 VanDerWaalsContact O-N 3.15Å; L982-I986 WeakPolarHBondContact O-CG1 3.32Å
983R92.6Very high84.1Confident95 Ų9542.5 Ų42.536%0.35819%0.187SC..Hα-helixtrans-59.6-42.4176.8-179.2177.3175.178.2-1.9111.9E602 F877 M979 Y980 C985 I986 W988E602-R983 IonicContact OE1-NE 3.34Å; F877-R983 HydrophobicContact CE1-CB 4.04Å; F877-R983 HydrophobicContact CE2-CB 4.41Å; F877-R983 HydrophobicContact CZ-CB 3.86Å; M979-R983 WeakPolarHBondContact O-CB 3.46Å; M979-R983 PolarHBondContact O-N 2.93Å; Y980-R983 PolarHBondContact O-N 3.38Å; R983-C985 VanDerWaalsContact C-N 3.33Å; R983-I986 PolarHBondContact O-N 2.92Å; R983-W988 HydrophobicContact CG-CZ2 4.09Å; R983-W988 PolarHBondContact O-NE1 2.95Å
984A91.5Very high82Confident18 Ų1850.7 Ų50.715%0.14922%0.217CC..Hα-helixtrans-64.3-36.2175.800000111.5T596 L601 K925 Y980 I981 L982 I986T596-A984 HydrophobicContact CG2-CB 4.03Å; L601-A984 HydrophobicContact CD2-CB 4.01Å; K925-A984 WeakPolarHBondContact CE-O 3.45Å; K925-A984 PolarHBondContact NZ-O 3.47Å; Y980-A984 VanDerWaalsContact O-CB 3.27Å; Y980-A984 WeakPolarHBondContact O-CB 3.35Å; Y980-A984 PolarHBondContact O-N 3.18Å; I981-A984 PolarHBondContact O-N 2.94Å; L982-A984 VanDerWaalsContact C-N 3.33Å; L982-A984 PolarHBondContact O-N 3.25Å; A984-I986 PolarHBondContact O-N 3.36Å
985C91.1Very high80.2Confident3 Ų352.1 Ų52.12%0.0223%0.229CC..THydrogen-bonded Turntrans-72.93.2178.5-73.30000115.7K925 M928 I981 L982 R983K925-C985 WeakPolarHBondContact CG-O 3.22Å; K925-C985 PolarHBondContact N-O 2.7Å; M928-C985 HydrophobicContact CB-CB 3.89Å; M928-C985 HydrophobicContact CG-CB 3.44Å; M928-C985 VanDerWaalsContact CG-CB 3.44Å; I981-C985 WeakPolarHBondContact O-CB 3.11Å; I981-C985 PolarHBondContact O-N 2.61Å; I981-C985 PolarHBondContact O-SG 2.93Å; L982-C985 PolarHBondContact O-N 3.43Å; L982-C985 VanDerWaalsContact O-N 3.15Å; R983-C985 VanDerWaalsContact C-N 3.33Å
986I89Confident79Confident5 Ų558.6 Ų58.63%0.02626%0.257CS..BIsolated β-bridgetrans-105.1136.2-177-66.9170.6000111.8F877 L881 I886 V919 L924 L982 R983 A984 W988F877-I986 HydrophobicContact CE2-CD1 3.82Å; F877-I986 HydrophobicContact CZ-CD1 3.77Å; L881-I986 HydrophobicContact CD2-CD1 3.92Å; I886-I986 HydrophobicContact CD1-CG2 4.29Å; I886-I986 HydrophobicContact CG2-CG2 3.85Å; V919-I986 HydrophobicContact CG1-CD1 4.47Å; V919-I986 HydrophobicContact CG1-CG1 4.32Å; V919-I986 HydrophobicContact CG2-CD1 3.84Å; L924-I986 HydrophobicContact CD2-CG1 4.22Å; L982-I986 WeakPolarHBondContact O-CG1 3.32Å; R983-I986 PolarHBondContact O-N 2.92Å; A984-I986 PolarHBondContact O-N 3.36Å; I986-W988 VanDerWaalsContact C-N 3.31Å; I986-W988 HydrophobicContact CB-CZ2 4.48Å; I986-W988 HydrophobicContact CD1-CZ2 4.37Å; I986-W988 HydrophobicContact CG2-CD2 4.09Å; I986-W988 HydrophobicContact CG2-CG 4.22Å; I986-W988 HydrophobicContact CG2-CZ2 4.27Å; I986-W988 PolarHBondContact O-N 3.46Å
987K84.9Confident78.3Confident52 Ų5258.5 Ų58.523%0.22626%0.257CS..  trans-83.365.1177.7-64169.3-156.9151.40112K922 L923 L924 K925 K989 K990K922-K987 PolarHBondContact O-NZ 3.02Å; L923-K987 VanDerWaalsContact O-CB 3.24Å; L923-K987 WeakPolarHBondContact O-CB 3.39Å; L923-K987 WeakPolarHBondContact O-CG 3.45Å; L923-K987 PolarHBondContact O-N 2.83Å; L924-K987 WeakPolarHBondContact O-CE 3.46Å; L924-K987 PolarHBondContact O-NZ 3.13Å; K925-K987 HydrophobicContact CB-CG 4.15Å; K925-K987 HydrophobicContact CG-CG 4.21Å; K987-K989 PolarHBondContact O-N 3.27Å; K987-K990 HydrophobicContact CB-CB 4.15Å; K987-K990 HydrophobicContact CB-CG 4.27Å; K987-K990 HydrophobicContact CD-CD 4.11Å; K987-K990 PolarHBondContact O-N 2.79Å
988W82.7Confident77.7Confident76 Ų7663.3 Ų63.329%0.28828%0.282SS..THydrogen-bonded Turntrans-49.4-33.8178.6-61.193.8000114.6F877 L881 I886 R983 I986 K990 S991F877-W988 AromaticContact CD2-CH2 3.87Å; F877-W988 HydrophobicContact CD2-CH2 3.87Å; F877-W988 HydrophobicContact CD2-CZ2 4.02Å; F877-W988 AromaticContact CE2-CH2 3.77Å; F877-W988 HydrophobicContact CE2-CH2 3.77Å; F877-W988 AromaticContact CE2-CZ2 3.54Å; F877-W988 HydrophobicContact CE2-CZ2 3.54Å; F877-W988 HydrophobicContact CZ-CZ2 4.49Å; L881-W988 HydrophobicContact CD2-CH2 3.89Å; L881-W988 HydrophobicContact CD2-CZ2 4.42Å; L881-W988 HydrophobicContact CD2-CZ3 4.43Å; I886-W988 HydrophobicContact CD1-CD2 3.98Å; I886-W988 HydrophobicContact CD1-CE3 3.22Å; I886-W988 HydrophobicContact CD1-CH2 4.09Å; I886-W988 HydrophobicContact CD1-CZ3 3.29Å; R983-W988 HydrophobicContact CG-CZ2 4.09Å; R983-W988 PolarHBondContact O-NE1 2.95Å; I986-W988 VanDerWaalsContact C-N 3.31Å; I986-W988 HydrophobicContact CB-CZ2 4.48Å; I986-W988 HydrophobicContact CD1-CZ2 4.37Å; I986-W988 HydrophobicContact CG2-CD2 4.09Å; I986-W988 HydrophobicContact CG2-CG 4.22Å; I986-W988 HydrophobicContact CG2-CZ2 4.27Å; I986-W988 PolarHBondContact O-N 3.46Å; W988-K990 VanDerWaalsContact C-N 3.32Å; W988-K990 PolarHBondContact O-N 3.21Å; W988-S991 PolarHBondContact O-OG 3.25Å
989K70.1Confident77.1Confident174 Ų17467.7 Ų67.776%0.75730%0.304SS*.THydrogen-bonded Turntrans-75.2-11.7177.4-65.3-175.3-179.6178.70114.8K987 Y993K987-K989 PolarHBondContact O-N 3.27Å; K989-Y993 WeakPolarHBondContact O-CD2 3.36Å
990K60.2Low76.7Confident159 Ų15969.8 Ų69.869%0.69132%0.319SS*.THydrogen-bonded Turntrans-97.6-18.4177.1-69.5-156.6179-164.80113.2L923 K987 W988 V992L923-K990 HydrophobicContact CD2-CB 3.86Å; K987-K990 HydrophobicContact CB-CB 4.15Å; K987-K990 HydrophobicContact CB-CG 4.27Å; K987-K990 HydrophobicContact CD-CD 4.11Å; K987-K990 PolarHBondContact O-N 2.79Å; W988-K990 VanDerWaalsContact C-N 3.32Å; W988-K990 PolarHBondContact O-N 3.21Å; K990-V992 PolarHBondContact O-N 3.09Å
991S53.7Low76Confident10 Ų1078.4 Ų78.47%0.0735%0.351CS..SBendtrans-77.1116.6168.736.90000111N884 I886 W988 Y993N884-S991 VanDerWaalsContact O-CB 3.32Å; N884-S991 WeakPolarHBondContact O-CB 3.38Å; I886-S991 WeakPolarHBondContact CD1-OG 3.44Å; I886-S991 VanDerWaalsContact CG1-OG 3.24Å; I886-S991 WeakPolarHBondContact CG1-OG 3.37Å; W988-S991 PolarHBondContact O-OG 3.25Å; S991-Y993 PolarHBondContact O-N 3.16Å
992V49.1Very low75.3Confident70 Ų7085.7 Ų85.742%0.42438%0.383SS..  trans59.348.1159.9-165.10000115.3N884 N885 K990 R994N884-V992 WeakPolarHBondContact O-CG2 3.38Å; N885-V992 HydrophobicContact CB-CG2 3.76Å; K990-V992 PolarHBondContact O-N 3.09Å; V992-R994 PolarHBondContact O-N 3.27Å
993Y45.6Very low74.2Confident185 Ų18587.3 Ų87.373%0.72539%0.393SS*.SBendtrans-72.978.2137.7-81.3-67.3000109.4K989 S991 T995K989-Y993 WeakPolarHBondContact O-CD2 3.36Å; S991-Y993 PolarHBondContact O-N 3.16Å; Y993-T995 PolarHBondContact O-N 3.4Å
994R51.4Low72.8Confident174 Ų17483.3 Ų83.366%0.65738%0.38SS*.  trans36.662.3153.5-68.3-178.9169.4164-3.1113.4V992 K996 V1003V992-R994 PolarHBondContact O-N 3.27Å; R994-K996 PolarHBondContact O-N 3.2Å; R994-V1003 HydrophobicContact CB-CG1 3.66Å; R994-V1003 HydrophobicContact CB-CG2 4.19Å; R994-V1003 HydrophobicContact CG-CG1 3.79Å; R994-V1003 HydrophobicContact CG-CG2 4.43Å
995T57.1Low71.1Confident55 Ų5588.9 Ų88.934%0.33740%0.403SS..  trans-61.7105.4178.841.60000108.1Y993 C997 A1004 S1018Y993-T995 PolarHBondContact O-N 3.4Å; T995-C997 PolarHBondContact O-N 2.89Å; T995-A1004 VanDerWaalsContact O-CB 3.22Å; T995-A1004 WeakPolarHBondContact O-CB 3.36Å; T995-A1004 PolarHBondContact O-N 2.91Å; T995-A1004 VanDerWaalsContact O-N 3.15Å; T995-S1018 WeakPolarHBondContact CB-OG 3.24Å; T995-S1018 PolarHBondContact OG1-OG 3.33Å
996K71Confident69.9Low135 Ų13591.1 Ų91.159%0.58743%0.427SS*.BIsolated β-bridgetrans-66.2133.3177.2-70.9173.1172.9-1760107.5R994 L998 R1001 K1002R994-K996 PolarHBondContact O-N 3.2Å; K996-L998 PolarHBondContact O-N 3.48Å; K996-L998 VanDerWaalsContact O-N 3.17Å; K996-R1001 VanDerWaalsContact CD-O 3.27Å; K996-R1001 WeakPolarHBondContact CD-O 3.2Å; K996-R1001 WeakPolarHBondContact CG-O 3.43Å; K996-K1002 CarbonylContact C-O 3.18Å; K996-K1002 VanDerWaalsContact CA-O 3.23Å; K996-K1002 WeakPolarHBondContact CA-O 3.32Å
997C82.4Confident68.9Low0 Ų095.8 Ų95.80%046%0.457CS..  trans-53.2125170.51670000108.6T995 I999 R1001 K1002 S1018 H1020 C1023T995-C997 PolarHBondContact O-N 2.89Å; C997-I999 PolarHBondContact O-N 3.43Å; C997-R1001 VanDerWaalsContact O-CA 3.24Å; C997-R1001 WeakPolarHBondContact O-CA 3.42Å; C997-R1001 PolarHBondContact O-N 2.9Å; C997-K1002 PolarHBondContact N-O 3.36Å; C997-S1018 WeakPolarHBondContact CA-O 3.38Å; C997-H1020 WeakPolarHBondContact CB-ND1 3.49Å; C997-H1020 PolarHBondContact SG-N 3.45Å; C997-H1020 VanDerWaalsContact SG-N 3.38Å; C997-C1023 VanDerWaalsContact SG-CB 3.52Å; C997-C1023 VanDerWaalsContact SG-SG 3.68Å
998L82.5Confident68.5Low101 Ų10196.9 Ų96.953%0.52947%0.466SS..THydrogen-bonded Turntrans-53.6-32.4-174.7-17272.5000112.3K996 V1017 S1018 Y1019K996-L998 PolarHBondContact O-N 3.48Å; K996-L998 VanDerWaalsContact O-N 3.17Å; L998-V1017 HydrophobicContact CB-CG1 3.65Å; L998-V1017 HydrophobicContact CD1-CG1 4.02Å; L998-V1017 HydrophobicContact CD2-CG1 4.06Å; L998-V1017 HydrophobicContact CG-CG1 4.1Å; L998-S1018 PolarHBondContact N-O 2.97Å; L998-Y1019 HydrophobicContact CB-CD1 4.18Å; L998-Y1019 HydrophobicContact CB-CE1 3.79Å; L998-Y1019 HydrophobicContact CD2-CE1 3.82Å; L998-Y1019 HydrophobicContact CG-CE1 4.44Å
999I84Confident68.4Low91 Ų9195.1 Ų95.147%0.46746%0.459SS..THydrogen-bonded Turntrans-83.7-57.8-171.9-61.2175000110.9C997 Y1019 C1023C997-I999 PolarHBondContact O-N 3.43Å; I999-Y1019 HydrophobicContact CD1-CD1 3.77Å; I999-Y1019 HydrophobicContact CD1-CE1 4.23Å; I999-Y1019 HydrophobicContact CG1-CD1 4.02Å; I999-Y1019 HydrophobicContact CG1-CE1 4.29Å; I999-C1023 HydrophobicContact CB-CB 4.12Å; I999-C1023 HydrophobicContact CD1-CB 4.32Å; I999-C1023 WeakPolarHBondContact CD1-O 3.44Å; I999-C1023 HydrophobicContact CG2-CB 4.26Å
1000C88.5Confident69Low49 Ų4987.2 Ų87.233%0.33143%0.426SS..THydrogen-bonded Turntrans-93-9.3-175.676.90000114.5K1002 H1020C1000-K1002 PolarHBondContact O-N 3.16Å; C1000-H1020 PolarHBondContact SG-CE1 3.43Å; C1000-H1020 PolarHBondContact SG-ND1 3.07Å
1001R80.7Confident69.8Low195 Ų19581.8 Ų81.874%0.73641%0.408SS*.  trans57.75.5-178-55.3-178.7-179.6-1780.3116.1K996 C997K996-R1001 VanDerWaalsContact CD-O 3.27Å; K996-R1001 WeakPolarHBondContact CD-O 3.2Å; K996-R1001 WeakPolarHBondContact CG-O 3.43Å; C997-R1001 VanDerWaalsContact O-CA 3.24Å; C997-R1001 WeakPolarHBondContact O-CA 3.42Å; C997-R1001 PolarHBondContact O-N 2.9Å
1002K79.7Confident71Confident152 Ų15281.3 Ų81.366%0.66141%0.405SS*.SBendtrans-73153.8166.4-60.6-177.8178.7-177.80109.4K996 C997 C1000 H1020K996-K1002 CarbonylContact C-O 3.18Å; K996-K1002 VanDerWaalsContact CA-O 3.23Å; K996-K1002 WeakPolarHBondContact CA-O 3.32Å; C997-K1002 PolarHBondContact N-O 3.36Å; C1000-K1002 PolarHBondContact O-N 3.16Å; K1002-H1020 VanDerWaalsContact C-CE1 3.44Å; K1002-H1020 WeakPolarHBondContact CB-CE1 3.36Å; K1002-H1020 PolarHBondContact O-CE1 3.02Å
1003V70.9Confident72.2Confident34 Ų3482.9 Ų82.921%0.20641%0.407CS..BIsolated β-bridgetrans-61.6138.4175.6-173.90000109R994 E1005 H1020R994-V1003 HydrophobicContact CB-CG1 3.66Å; R994-V1003 HydrophobicContact CB-CG2 4.19Å; R994-V1003 HydrophobicContact CG-CG1 3.79Å; R994-V1003 HydrophobicContact CG-CG2 4.43Å; V1003-E1005 HydrophobicContact CB-CG 3.84Å; V1003-E1005 HydrophobicContact CG1-CG 3.52Å; V1003-E1005 PolarHBondContact O-N 3.42Å; V1003-H1020 VanDerWaalsContact C-NE2 3.32Å; V1003-H1020 PolarHBondContact O-CE1 3.4Å; V1003-H1020 VanDerWaalsContact O-CE1 3.28Å; V1003-H1020 PolarHBondContact O-NE2 3.13Å
1004A63.1Low73.4Confident12 Ų1277.8 Ų77.810%0.09940%0.395CS..  trans-74.497166.100000109T995 Y1009 H1020T995-A1004 VanDerWaalsContact O-CB 3.22Å; T995-A1004 WeakPolarHBondContact O-CB 3.36Å; T995-A1004 PolarHBondContact O-N 2.91Å; T995-A1004 VanDerWaalsContact O-N 3.15Å; A1004-Y1009 HydrophobicContact CB-CD1 3.8Å; A1004-Y1009 HydrophobicContact CB-CD2 3.92Å; A1004-Y1009 HydrophobicContact CB-CE1 4.22Å; A1004-Y1009 HydrophobicContact CB-CE2 4.33Å; A1004-Y1009 HydrophobicContact CB-CG 3.63Å; A1004-H1020 WeakPolarHBondContact CA-NE2 3.37Å; A1004-H1020 PolarHBondContact N-NE2 3.01Å
1005E56.6Low74.6Confident134 Ų13472.1 Ų72.163%0.62638%0.382SS*.  trans-117.1140176.7-59.2-178.8170.200107.9V1003 H1020V1003-E1005 HydrophobicContact CB-CG 3.84Å; V1003-E1005 HydrophobicContact CG1-CG 3.52Å; V1003-E1005 PolarHBondContact O-N 3.42Å; E1005-H1020 PolarHBondContact N-NE2 3.45Å
1006G65.1Low75.2Confident51 Ų5173.7 Ų73.753%0.52639%0.388SS..SBendtrans85.5-177-172.400000114.2Y1009G1006-Y1009 VanDerWaalsContact O-CD1 3.28Å; G1006-Y1009 WeakPolarHBondContact O-CD1 3.42Å; G1006-Y1009 VanDerWaalsContact O-CE1 3.23Å; G1006-Y1009 WeakPolarHBondContact O-CE1 3.36Å
1007P67.5Low75.5Confident102 Ų10269.3 Ų69.366%0.66237%0.373SS*.SBendtrans-75.4-20-178.529.7-33.6000113.8Y1009 V1031P1007-Y1009 PolarHBondContact O-N 3.08Å; P1007-V1031 VanDerWaalsContact O-CG2 3.22Å; P1007-V1031 WeakPolarHBondContact O-CG2 3.49Å
1008D76.1Confident75.4Confident75 Ų7569.5 Ų69.540%0.40137%0.374SS..  trans-76.742.4-164.1-56.1-27.4000115.4H1020 I1021 Y1022D1008-H1020 CarbonylContact O-C 3.55Å; D1008-H1020 VanDerWaalsContact O-CA 3.24Å; D1008-H1020 WeakPolarHBondContact O-CA 3.43Å; D1008-I1021 HydrophobicContact CB-CD1 3.98Å; D1008-I1021 HydrophobicContact CB-CG1 4.02Å; D1008-I1021 PolarHBondContact O-N 3.28Å; D1008-Y1022 HydrophobicContact CB-CD1 4.32Å; D1008-Y1022 HydrophobicContact CB-CE1 3.88Å
1009Y81.3Confident75.5Confident39 Ų3965.6 Ų65.615%0.15335%0.352CS..EExtended strand (participates in β ladder)trans-142.1151.1176.776.8-86.2000113.9N885 A1004 G1006 P1007 Y1019N885-Y1009 PolarHBondContact ND2-OH 2.63Å; A1004-Y1009 HydrophobicContact CB-CD1 3.8Å; A1004-Y1009 HydrophobicContact CB-CD2 3.92Å; A1004-Y1009 HydrophobicContact CB-CE1 4.22Å; A1004-Y1009 HydrophobicContact CB-CE2 4.33Å; A1004-Y1009 HydrophobicContact CB-CG 3.63Å; G1006-Y1009 VanDerWaalsContact O-CD1 3.28Å; G1006-Y1009 WeakPolarHBondContact O-CD1 3.42Å; G1006-Y1009 VanDerWaalsContact O-CE1 3.23Å; G1006-Y1009 WeakPolarHBondContact O-CE1 3.36Å; P1007-Y1009 PolarHBondContact O-N 3.08Å; Y1009-Y1019 CarbonylContact C-O 3.59Å; Y1009-Y1019 WeakPolarHBondContact CA-O 3.3Å; Y1009-Y1019 VanDerWaalsContact CB-O 3.29Å; Y1009-Y1019 WeakPolarHBondContact CB-O 3.42Å
1010V81.6Confident75.7Confident8 Ų861.6 Ų61.65%0.04833%0.332CS..EExtended strand (participates in β ladder)trans-115.8147.1173.3-66.30000110S1018 Y1019 I1021 L1024 L1028 V1031 P1032 W1036V1010-S1018 CarbonylContact O-C 3.55Å; V1010-S1018 VanDerWaalsContact O-CA 3.27Å; V1010-S1018 WeakPolarHBondContact O-CA 3.48Å; V1010-Y1019 PolarHBondContact N-O 3.09Å; V1010-Y1019 PolarHBondContact O-N 3.21Å; V1010-I1021 HydrophobicContact CG1-CG2 4.02Å; V1010-L1024 HydrophobicContact CG2-CD1 3.84Å; V1010-L1028 HydrophobicContact CG1-CD1 4.45Å; V1010-V1031 HydrophobicContact CG1-CG1 4.1Å; V1010-P1032 VanDerWaalsContact CG1-CD 3.45Å; V1010-P1032 HydrophobicContact CG1-CG 4.44Å; V1010-W1036 HydrophobicContact CB-CD2 4.05Å; V1010-W1036 HydrophobicContact CB-CE3 3.93Å; V1010-W1036 HydrophobicContact CB-CG 4.4Å; V1010-W1036 HydrophobicContact CB-CZ3 4.37Å; V1010-W1036 HydrophobicContact CG2-CD2 3.79Å; V1010-W1036 HydrophobicContact CG2-CE3 3.69Å; V1010-W1036 HydrophobicContact CG2-CH2 3.83Å; V1010-W1036 HydrophobicContact CG2-CZ2 3.95Å; V1010-W1036 HydrophobicContact CG2-CZ3 3.7Å
1011S78.8Confident75.7Confident46 Ų4659.9 Ų59.932%0.32232%0.319SS..EExtended strand (participates in β ladder)trans-116.5131.8170.856.20000110.1E1013 V1017S1011-E1013 PolarHBondContact O-N 3.04Å; S1011-V1017 WeakPolarHBondContact CA-O 3.35Å
1012C78.8Confident76.1Confident0 Ų056.7 Ų56.70%031%0.308CS..  trans-66.9126.3174.6-178.60000111V1014 C1015 D1016 V1017 W1036 C1038 C1041C1012-V1014 VanDerWaalsContact C-N 3.25Å; C1012-V1014 PolarHBondContact O-N 3.41Å; C1012-C1015 VanDerWaalsContact CB-SG 3.5Å; C1012-D1016 VanDerWaalsContact O-CA 3.3Å; C1012-D1016 WeakPolarHBondContact O-CA 3.43Å; C1012-D1016 PolarHBondContact O-N 3.12Å; C1012-V1017 PolarHBondContact N-O 3.13Å; C1012-W1036 HydrophobicContact CB-CE3 4.34Å; C1012-W1036 HydrophobicContact CB-CZ3 4.02Å; C1012-C1038 HydrophobicContact CB-CB 3.9Å; C1012-C1038 PolarHBondContact SG-N 3.34Å; C1012-C1038 VanDerWaalsContact SG-SG 3.65Å; C1012-C1041 WeakPolarHBondContact SG-CB 3.45Å; C1012-C1041 VanDerWaalsContact SG-SG 3.66Å
1013E73.9Confident76.6Confident102 Ų10250.3 Ų50.348%0.47728%0.282SS..THydrogen-bonded Turntrans-66.2-21.7-178.8-88.5-83.111000114.8K922 S1011 V1035 W1036 Y1037K922-E1013 IonicContact NZ-OE1 3.69Å; K922-E1013 PolarHBondContact NZ-OE1 3.31Å; S1011-E1013 PolarHBondContact O-N 3.04Å; E1013-V1035 HydrophobicContact CB-CG1 4.15Å; E1013-V1035 HydrophobicContact CG-CG1 3.94Å; E1013-W1036 PolarHBondContact N-O 3.23Å; E1013-Y1037 HydrophobicContact CB-CE1 4.36Å
1014V70.4Confident77.3Confident79 Ų7949.7 Ų49.748%0.47928%0.277SS..THydrogen-bonded Turntrans-90.2-36.8-179.31740000112.9C1012 Y1037 C1041C1012-V1014 VanDerWaalsContact C-N 3.25Å; C1012-V1014 PolarHBondContact O-N 3.41Å; V1014-Y1037 HydrophobicContact CG2-CD1 3.84Å; V1014-Y1037 HydrophobicContact CG2-CE1 3.92Å; V1014-C1041 HydrophobicContact CB-CB 3.78Å; V1014-C1041 HydrophobicContact CG1-CB 4.16Å; V1014-C1041 HydrophobicContact CG2-CB 4.17Å
1015C76.4Confident78.3Confident54 Ų5459 Ų5937%0.36531%0.31SS..THydrogen-bonded Turntrans-117.31.8-173.867.50000115C1012 V1017C1012-C1015 VanDerWaalsContact CB-SG 3.5Å; C1015-V1017 HydrophobicContact CB-CG2 4.28Å; C1015-V1017 PolarHBondContact O-N 2.84Å
1016D69.9Low79.7Confident89 Ų8957.6 Ų57.648%0.47631%0.313SS..  trans54.214.8-178.4-78.4-27.6000115K922 C1012K922-D1016 WeakPolarHBondContact CE-OD1 3.32Å; K922-D1016 IonicContact NZ-OD1 2.62Å; K922-D1016 PolarHBondContact NZ-OD1 3.35Å; C1012-D1016 VanDerWaalsContact O-CA 3.3Å; C1012-D1016 WeakPolarHBondContact O-CA 3.43Å; C1012-D1016 PolarHBondContact O-N 3.12Å
1017V76.5Confident80.7Confident43 Ų4358.8 Ų58.826%0.26131%0.311SS..  trans-78.8127.2177.3-179.50000110.4L998 S1011 C1012 C1015 Y1019L998-V1017 HydrophobicContact CB-CG1 3.65Å; L998-V1017 HydrophobicContact CD1-CG1 4.02Å; L998-V1017 HydrophobicContact CD2-CG1 4.06Å; L998-V1017 HydrophobicContact CG-CG1 4.1Å; S1011-V1017 WeakPolarHBondContact CA-O 3.35Å; C1012-V1017 PolarHBondContact N-O 3.13Å; C1015-V1017 HydrophobicContact CB-CG2 4.28Å; C1015-V1017 PolarHBondContact O-N 2.84Å; V1017-Y1019 HydrophobicContact CB-CE2 4Å; V1017-Y1019 HydrophobicContact CG1-CD2 4.38Å; V1017-Y1019 HydrophobicContact CG1-CE1 4.47Å; V1017-Y1019 HydrophobicContact CG1-CE2 3.67Å; V1017-Y1019 WeakPolarHBondContact O-CD2 3.44Å; V1017-Y1019 WeakPolarHBondContact O-CE2 3.16Å
1018S81.5Confident81.6Confident4 Ų456.4 Ų56.43%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-89.6148.2175.9-55.90000113.2T995 C997 L998 V1010T995-S1018 WeakPolarHBondContact CB-OG 3.24Å; T995-S1018 PolarHBondContact OG1-OG 3.33Å; C997-S1018 WeakPolarHBondContact CA-O 3.38Å; L998-S1018 PolarHBondContact N-O 2.97Å; V1010-S1018 CarbonylContact O-C 3.55Å; V1010-S1018 VanDerWaalsContact O-CA 3.27Å; V1010-S1018 WeakPolarHBondContact O-CA 3.48Å
1019Y85Confident81.9Confident18 Ų1860.5 Ų60.57%0.07132%0.315CS..EExtended strand (participates in β ladder)trans-140.8134.5177.2-56.9-98.8000108.4L998 I999 Y1009 V1010 V1017 L1024 W1036 C1038L998-Y1019 HydrophobicContact CB-CD1 4.18Å; L998-Y1019 HydrophobicContact CB-CE1 3.79Å; L998-Y1019 HydrophobicContact CD2-CE1 3.82Å; L998-Y1019 HydrophobicContact CG-CE1 4.44Å; I999-Y1019 HydrophobicContact CD1-CD1 3.77Å; I999-Y1019 HydrophobicContact CD1-CE1 4.23Å; I999-Y1019 HydrophobicContact CG1-CD1 4.02Å; I999-Y1019 HydrophobicContact CG1-CE1 4.29Å; Y1009-Y1019 CarbonylContact C-O 3.59Å; Y1009-Y1019 WeakPolarHBondContact CA-O 3.3Å; Y1009-Y1019 VanDerWaalsContact CB-O 3.29Å; Y1009-Y1019 WeakPolarHBondContact CB-O 3.42Å; V1010-Y1019 PolarHBondContact N-O 3.09Å; V1010-Y1019 PolarHBondContact O-N 3.21Å; V1017-Y1019 HydrophobicContact CB-CE2 4Å; V1017-Y1019 HydrophobicContact CG1-CD2 4.38Å; V1017-Y1019 HydrophobicContact CG1-CE1 4.47Å; V1017-Y1019 HydrophobicContact CG1-CE2 3.67Å; V1017-Y1019 WeakPolarHBondContact O-CD2 3.44Å; V1017-Y1019 WeakPolarHBondContact O-CE2 3.16Å; Y1019-L1024 HydrophobicContact CD1-CD2 3.81Å; Y1019-L1024 HydrophobicContact CG-CD2 3.77Å; Y1019-W1036 AromaticContact CD2-CH2 3.49Å; Y1019-W1036 HydrophobicContact CD2-CH2 3.49Å; Y1019-W1036 VanDerWaalsContact CD2-CH2 3.49Å; Y1019-W1036 AromaticContact CD2-CZ3 3.57Å; Y1019-W1036 HydrophobicContact CD2-CZ3 3.57Å; Y1019-W1036 AromaticContact CE2-CH2 3.78Å; Y1019-W1036 HydrophobicContact CE2-CH2 3.78Å; Y1019-W1036 AromaticContact CE2-CZ3 3.83Å; Y1019-W1036 HydrophobicContact CE2-CZ3 3.83Å; Y1019-W1036 HydrophobicContact CG-CH2 4.09Å; Y1019-C1038 HydrophobicContact CE2-CB 3.64Å
1020H87.9Confident82Confident8 Ų863.6 Ų63.64%0.03734%0.338CS..EExtended strand (participates in β ladder)trans-64.8143.1164.1-58114.4000109.7C997 C1000 K1002 V1003 A1004 E1005 D1008 Y1022 C1023 L1024C997-H1020 WeakPolarHBondContact CB-ND1 3.49Å; C997-H1020 PolarHBondContact SG-N 3.45Å; C997-H1020 VanDerWaalsContact SG-N 3.38Å; C1000-H1020 PolarHBondContact SG-CE1 3.43Å; C1000-H1020 PolarHBondContact SG-ND1 3.07Å; K1002-H1020 VanDerWaalsContact C-CE1 3.44Å; K1002-H1020 WeakPolarHBondContact CB-CE1 3.36Å; K1002-H1020 PolarHBondContact O-CE1 3.02Å; V1003-H1020 VanDerWaalsContact C-NE2 3.32Å; V1003-H1020 PolarHBondContact O-CE1 3.4Å; V1003-H1020 VanDerWaalsContact O-CE1 3.28Å; V1003-H1020 PolarHBondContact O-NE2 3.13Å; A1004-H1020 WeakPolarHBondContact CA-NE2 3.37Å; A1004-H1020 PolarHBondContact N-NE2 3.01Å; E1005-H1020 PolarHBondContact N-NE2 3.45Å; D1008-H1020 CarbonylContact O-C 3.55Å; D1008-H1020 VanDerWaalsContact O-CA 3.24Å; D1008-H1020 WeakPolarHBondContact O-CA 3.43Å; H1020-Y1022 HydrophobicContact CB-CD1 4.08Å; H1020-Y1022 HydrophobicContact CB-CD2 3.8Å; H1020-Y1022 HydrophobicContact CB-CE1 3.76Å; H1020-Y1022 HydrophobicContact CB-CE2 3.44Å; H1020-Y1022 VanDerWaalsContact CB-CE2 3.44Å; H1020-Y1022 HydrophobicContact CB-CG 4.11Å; H1020-Y1022 VanDerWaalsContact CB-CZ 3.44Å; H1020-Y1022 AromaticContact CD2-CZ 3.67Å; H1020-Y1022 PolarHBondContact CD2-OH 3.36Å; H1020-Y1022 AromaticContact CG-CE2 3.63Å; H1020-Y1022 AromaticContact CG-CZ 3.44Å; H1020-Y1022 VanDerWaalsContact CG-CZ 3.44Å; H1020-Y1022 AromaticContact ND1-CE2 3.85Å; H1020-Y1022 AromaticContact ND1-CZ 3.99Å; H1020-Y1022 PolarHBondContact O-N 3.03Å; H1020-C1023 HydrophobicContact CB-CB 3.94Å; H1020-C1023 WeakPolarHBondContact O-CB 3.47Å; H1020-C1023 PolarHBondContact O-N 3.45Å; H1020-L1024 PolarHBondContact O-N 3.15Å
1021I87.7Confident81.9Confident13 Ų1366 Ų667%0.06735%0.352CS..G310 helixtrans-56.5-40.3179.260.2-178.3000111.5D1008 V1010 C1023 L1024 P1027 L1028 V1031D1008-I1021 HydrophobicContact CB-CD1 3.98Å; D1008-I1021 HydrophobicContact CB-CG1 4.02Å; D1008-I1021 PolarHBondContact O-N 3.28Å; V1010-I1021 HydrophobicContact CG1-CG2 4.02Å; I1021-C1023 VanDerWaalsContact C-N 3.33Å; I1021-C1023 PolarHBondContact O-N 3.33Å; I1021-L1024 PolarHBondContact O-N 3.48Å; I1021-P1027 WeakPolarHBondContact O-CA 3.23Å; I1021-L1028 HydrophobicContact CB-CB 4.08Å; I1021-L1028 WeakPolarHBondContact CB-O 3.37Å; I1021-L1028 HydrophobicContact CG2-CB 4.4Å; I1021-L1028 PolarHBondContact O-N 3.31Å; I1021-V1031 HydrophobicContact CG2-CG2 3.87Å
1022Y89.7Confident81.9Confident128 Ų12866 Ų6650%0.50235%0.351SS..G310 helixtrans-75.8-12.1175.852.9-101000115D1008 H1020D1008-Y1022 HydrophobicContact CB-CD1 4.32Å; D1008-Y1022 HydrophobicContact CB-CE1 3.88Å; H1020-Y1022 HydrophobicContact CB-CD1 4.08Å; H1020-Y1022 HydrophobicContact CB-CD2 3.8Å; H1020-Y1022 HydrophobicContact CB-CE1 3.76Å; H1020-Y1022 HydrophobicContact CB-CE2 3.44Å; H1020-Y1022 VanDerWaalsContact CB-CE2 3.44Å; H1020-Y1022 HydrophobicContact CB-CG 4.11Å; H1020-Y1022 VanDerWaalsContact CB-CZ 3.44Å; H1020-Y1022 AromaticContact CD2-CZ 3.67Å; H1020-Y1022 PolarHBondContact CD2-OH 3.36Å; H1020-Y1022 AromaticContact CG-CE2 3.63Å; H1020-Y1022 AromaticContact CG-CZ 3.44Å; H1020-Y1022 VanDerWaalsContact CG-CZ 3.44Å; H1020-Y1022 AromaticContact ND1-CE2 3.85Å; H1020-Y1022 AromaticContact ND1-CZ 3.99Å; H1020-Y1022 PolarHBondContact O-N 3.03Å
1023C88.7Confident81.5Confident18 Ų1874.4 Ų74.412%0.12240%0.396CS..G310 helixtrans-87.6-17.5174.9-77.50000112.8C997 I999 H1020 I1021C997-C1023 VanDerWaalsContact SG-CB 3.52Å; C997-C1023 VanDerWaalsContact SG-SG 3.68Å; I999-C1023 HydrophobicContact CB-CB 4.12Å; I999-C1023 HydrophobicContact CD1-CB 4.32Å; I999-C1023 WeakPolarHBondContact CD1-O 3.44Å; I999-C1023 HydrophobicContact CG2-CB 4.26Å; H1020-C1023 HydrophobicContact CB-CB 3.94Å; H1020-C1023 WeakPolarHBondContact O-CB 3.47Å; H1020-C1023 PolarHBondContact O-N 3.45Å; I1021-C1023 VanDerWaalsContact C-N 3.33Å; I1021-C1023 PolarHBondContact O-N 3.33Å
1024L86.4Confident81.3Confident20 Ų2077.5 Ų77.511%0.10541%0.411CS..SBendtrans-65.5164176.6-65.3171.4000111.3V1010 Y1019 H1020 I1021 P1026 P1027 L1028 W1036V1010-L1024 HydrophobicContact CG2-CD1 3.84Å; Y1019-L1024 HydrophobicContact CD1-CD2 3.81Å; Y1019-L1024 HydrophobicContact CG-CD2 3.77Å; H1020-L1024 PolarHBondContact O-N 3.15Å; I1021-L1024 PolarHBondContact O-N 3.48Å; L1024-P1026 VanDerWaalsContact C-C 3.41Å; L1024-P1026 CarbonylContact C-O 3.56Å; L1024-P1026 VanDerWaalsContact CB-O 3.29Å; L1024-P1026 WeakPolarHBondContact CB-O 3.27Å; L1024-P1026 CarbonylContact O-C 3.47Å; L1024-P1027 WeakPolarHBondContact O-CD 3.21Å; L1024-P1027 VanDerWaalsContact O-N 3.14Å; L1024-L1028 HydrophobicContact CD1-CD1 3.49Å; L1024-L1028 VanDerWaalsContact CD1-CD1 3.49Å; L1024-L1028 HydrophobicContact CD1-CG 3.71Å; L1024-W1036 HydrophobicContact CD1-CH2 4.38Å; L1024-W1036 HydrophobicContact CD1-CZ2 3.73Å; L1024-W1036 HydrophobicContact CD2-CH2 3.84Å; L1024-W1036 HydrophobicContact CD2-CZ2 3.73Å; L1024-W1036 HydrophobicContact CG-CZ2 4.42Å
1025R84.4Confident81.6Confident207 Ų20777.9 Ų77.978%0.78141%0.413SS*.SBendtrans-134.2106.6175.9-69.7-172179-177-1.2109.9K1039R1025-K1039 WeakPolarHBondContact O-CE 3.2Å; R1025-K1039 PolarHBondContact O-NZ 3.32Å
1026P86Confident81.9Confident105 Ų10577.6 Ų77.668%0.68240%0.404SS*.SBendcis-59.8154.4-7.129-36000111.6L1024L1024-P1026 VanDerWaalsContact C-C 3.41Å; L1024-P1026 CarbonylContact C-O 3.56Å; L1024-P1026 VanDerWaalsContact CB-O 3.29Å; L1024-P1026 WeakPolarHBondContact CB-O 3.27Å; L1024-P1026 CarbonylContact O-C 3.47Å
1027P86.5Confident82.5Confident77 Ų7776.8 Ų76.850%0.540%0.395SS..PPolyproline II helixtrans-52.1154.6162.9-2838.1000111.5I1021 L1024I1021-P1027 WeakPolarHBondContact O-CA 3.23Å; L1024-P1027 WeakPolarHBondContact O-CD 3.21Å; L1024-P1027 VanDerWaalsContact O-N 3.14Å
1028L85.9Confident82.8Confident51 Ų5174.8 Ų74.827%0.26738%0.383SS..PPolyproline II helixtrans-101.4136.5165-60.2175000108.9V1010 I1021 L1024 T1030 P1032V1010-L1028 HydrophobicContact CG1-CD1 4.45Å; I1021-L1028 HydrophobicContact CB-CB 4.08Å; I1021-L1028 WeakPolarHBondContact CB-O 3.37Å; I1021-L1028 HydrophobicContact CG2-CB 4.4Å; I1021-L1028 PolarHBondContact O-N 3.31Å; L1024-L1028 HydrophobicContact CD1-CD1 3.49Å; L1024-L1028 VanDerWaalsContact CD1-CD1 3.49Å; L1024-L1028 HydrophobicContact CD1-CG 3.71Å; L1028-T1030 WeakPolarHBondContact CB-O 3.31Å; L1028-P1032 HydrophobicContact CD1-CG 3.91Å
1029D82.2Confident82.7Confident162 Ų16282.1 Ų82.187%0.86641%0.414SS*.SBendtrans-74.6-29.6178.3-56.5-48.7000112
1030T83.6Confident82.4Confident104 Ų10487.7 Ų87.764%0.63844%0.444SS*.SBendtrans-134.5159.2176.258.10000111.2L1028L1028-T1030 WeakPolarHBondContact CB-O 3.31Å
1031V80.1Confident82.1Confident57 Ų5787.7 Ų87.735%0.34545%0.445SS..  trans-67.9127.3164.5178.50000107.7P1007 V1010 I1021 D1033P1007-V1031 VanDerWaalsContact O-CG2 3.22Å; P1007-V1031 WeakPolarHBondContact O-CG2 3.49Å; V1010-V1031 HydrophobicContact CG1-CG1 4.1Å; I1021-V1031 HydrophobicContact CG2-CG2 3.87Å; V1031-D1033 PolarHBondContact O-N 3.31Å
1032P78.5Confident81.6Confident47 Ų4792.7 Ų92.731%0.30547%0.467SS..  trans-65.2132.8177.5-21.934.4000111.7V1010 L1028 Q1034 W1036V1010-P1032 VanDerWaalsContact CG1-CD 3.45Å; V1010-P1032 HydrophobicContact CG1-CG 4.44Å; L1028-P1032 HydrophobicContact CD1-CG 3.91Å; P1032-Q1034 PolarHBondContact O-N 3.36Å; P1032-W1036 HydrophobicContact CG-CB 4.46Å; P1032-W1036 HydrophobicContact CG-CG 4.44Å
1033D70.7Confident80.5Confident176 Ų17691.5 Ų91.594%0.94148%0.475SS*.SBendtrans-65.9-18.3172.3-57-50.5000112.6V1031V1031-D1033 PolarHBondContact O-N 3.31Å
1034Q69.7Low79.1Confident168 Ų16896.8 Ų96.879%0.78550%0.501SS*.SBendtrans-105.2163.3-177.4-62.9-1721.700112.8P1032 W1036P1032-Q1034 PolarHBondContact O-N 3.36Å; Q1034-W1036 PolarHBondContact O-N 2.95Å; Q1034-W1036 VanDerWaalsContact O-N 3.08Å
1035V76.2Confident77.3Confident87 Ų8796.8 Ų96.853%0.52751%0.505SS..  trans-50.2110.2178.9-175.30000111.4E1013 Y1037E1013-V1035 HydrophobicContact CB-CG1 4.15Å; E1013-V1035 HydrophobicContact CG-CG1 3.94Å; V1035-Y1037 HydrophobicContact CG1-CE1 4.11Å; V1035-Y1037 HydrophobicContact CG1-CE2 3.87Å; V1035-Y1037 WeakPolarHBondContact CG1-OH 3.24Å
1036W82.8Confident75.1Confident47 Ų4797.1 Ų97.118%0.17851%0.513CS..  trans-99135.1-178.6-175.586.9000112.9V1010 C1012 E1013 Y1019 L1024 P1032 Q1034 C1038V1010-W1036 HydrophobicContact CB-CD2 4.05Å; V1010-W1036 HydrophobicContact CB-CE3 3.93Å; V1010-W1036 HydrophobicContact CB-CG 4.4Å; V1010-W1036 HydrophobicContact CB-CZ3 4.37Å; V1010-W1036 HydrophobicContact CG2-CD2 3.79Å; V1010-W1036 HydrophobicContact CG2-CE3 3.69Å; V1010-W1036 HydrophobicContact CG2-CH2 3.83Å; V1010-W1036 HydrophobicContact CG2-CZ2 3.95Å; V1010-W1036 HydrophobicContact CG2-CZ3 3.7Å; C1012-W1036 HydrophobicContact CB-CE3 4.34Å; C1012-W1036 HydrophobicContact CB-CZ3 4.02Å; E1013-W1036 PolarHBondContact N-O 3.23Å; Y1019-W1036 AromaticContact CD2-CH2 3.49Å; Y1019-W1036 HydrophobicContact CD2-CH2 3.49Å; Y1019-W1036 VanDerWaalsContact CD2-CH2 3.49Å; Y1019-W1036 AromaticContact CD2-CZ3 3.57Å; Y1019-W1036 HydrophobicContact CD2-CZ3 3.57Å; Y1019-W1036 AromaticContact CE2-CH2 3.78Å; Y1019-W1036 HydrophobicContact CE2-CH2 3.78Å; Y1019-W1036 AromaticContact CE2-CZ3 3.83Å; Y1019-W1036 HydrophobicContact CE2-CZ3 3.83Å; Y1019-W1036 HydrophobicContact CG-CH2 4.09Å; L1024-W1036 HydrophobicContact CD1-CH2 4.38Å; L1024-W1036 HydrophobicContact CD1-CZ2 3.73Å; L1024-W1036 HydrophobicContact CD2-CH2 3.84Å; L1024-W1036 HydrophobicContact CD2-CZ2 3.73Å; L1024-W1036 HydrophobicContact CG-CZ2 4.42Å; P1032-W1036 HydrophobicContact CG-CB 4.46Å; P1032-W1036 HydrophobicContact CG-CG 4.44Å; Q1034-W1036 PolarHBondContact O-N 2.95Å; Q1034-W1036 VanDerWaalsContact O-N 3.08Å; W1036-C1038 VanDerWaalsContact CH2-CA 3.47Å; W1036-C1038 HydrophobicContact CH2-CB 3.56Å; W1036-C1038 HydrophobicContact CZ2-CB 4.43Å; W1036-C1038 HydrophobicContact CZ3-CB 3.71Å
1037Y81.5Confident72.6Confident73 Ų7394.6 Ų94.629%0.28651%0.505SS..  trans-116.7132.2176.5-54.9-81.3000110.3E1013 V1014 V1035E1013-Y1037 HydrophobicContact CB-CE1 4.36Å; V1014-Y1037 HydrophobicContact CG2-CD1 3.84Å; V1014-Y1037 HydrophobicContact CG2-CE1 3.92Å; V1035-Y1037 HydrophobicContact CG1-CE1 4.11Å; V1035-Y1037 HydrophobicContact CG1-CE2 3.87Å; V1035-Y1037 WeakPolarHBondContact CG1-OH 3.24Å
1038C82.8Confident70Confident1 Ų198.4 Ų98.41%0.00752%0.522CS..  trans-68162.8173.176.80000111.1C1012 Y1019 W1036 L1040 C1041 K1042C1012-C1038 HydrophobicContact CB-CB 3.9Å; C1012-C1038 PolarHBondContact SG-N 3.34Å; C1012-C1038 VanDerWaalsContact SG-SG 3.65Å; Y1019-C1038 HydrophobicContact CE2-CB 3.64Å; W1036-C1038 VanDerWaalsContact CH2-CA 3.47Å; W1036-C1038 HydrophobicContact CH2-CB 3.56Å; W1036-C1038 HydrophobicContact CZ2-CB 4.43Å; W1036-C1038 HydrophobicContact CZ3-CB 3.71Å; C1038-L1040 PolarHBondContact O-N 3.4Å; C1038-C1041 CarbonylContact O-C 3.5Å; C1038-C1041 PolarHBondContact O-N 2.94Å; C1038-K1042 PolarHBondContact O-N 3.23Å
1039K80.9Confident67.7Low157 Ų157101.8 Ų101.868%0.68354%0.54SS*.THydrogen-bonded Turntrans-52.6-28.1-178.1-63.1-166.7177.3-165.20115R1025 P1043R1025-K1039 WeakPolarHBondContact O-CE 3.2Å; R1025-K1039 PolarHBondContact O-NZ 3.32Å; K1039-P1043 WeakPolarHBondContact O-CD 3.4Å
1040L78.8Confident65.3Low135 Ų13599.6 Ų99.671%0.70754%0.538SS*.THydrogen-bonded Turntrans-81-23.9178.1-56.9178.1000112.9C1038C1038-L1040 PolarHBondContact O-N 3.4Å
1041C81.6Confident63.1Low9 Ų9100.9 Ų100.96%0.06155%0.548CS..THydrogen-bonded Turntrans-107-18.4-176.1-64.20000113.3C1012 V1014 C1038 P1043 L1044 G1045C1012-C1041 WeakPolarHBondContact SG-CB 3.45Å; C1012-C1041 VanDerWaalsContact SG-SG 3.66Å; V1014-C1041 HydrophobicContact CB-CB 3.78Å; V1014-C1041 HydrophobicContact CG1-CB 4.16Å; V1014-C1041 HydrophobicContact CG2-CB 4.17Å; C1038-C1041 CarbonylContact O-C 3.5Å; C1038-C1041 PolarHBondContact O-N 2.94Å; C1041-P1043 VanDerWaalsContact C-CD 3.42Å; C1041-P1043 VanDerWaalsContact C-N 3.28Å; C1041-L1044 WeakPolarHBondContact O-CA 3.42Å; C1041-L1044 WeakPolarHBondContact O-CB 3.33Å; C1041-L1044 PolarHBondContact O-N 2.72Å; C1041-G1045 PolarHBondContact O-N 3.45Å
1042K76.1Confident60.7Low117 Ų117105.9 Ų105.951%0.50957%0.572SS.*THydrogen-bonded Turntrans-54.4-36.6171.9-164.5174.3-176.7179.30112.9C1038 L1044 D1049C1038-K1042 PolarHBondContact O-N 3.23Å; K1042-L1044 PolarHBondContact O-N 3.39Å; K1042-D1049 WeakPolarHBondContact CE-OD2 3.39Å; K1042-D1049 IonicContact NZ-OD2 2.79Å; K1042-D1049 PolarHBondContact NZ-OD2 3Å
1043P66.7Low58.6Low104 Ų104112.3 Ų112.368%0.67560%0.595SS**THydrogen-bonded Turntrans-68.2-17.3172-21.134.3000115.1K1039 C1041K1039-P1043 WeakPolarHBondContact O-CD 3.4Å; C1041-P1043 VanDerWaalsContact C-CD 3.42Å; C1041-P1043 VanDerWaalsContact C-N 3.28Å
1044L58.8Low57Low129 Ų129111.2 Ų111.268%0.67558%0.584SS**THydrogen-bonded Turntrans-97.2-22.7-178.4-63.6169.9000112.5C1041 K1042C1041-L1044 WeakPolarHBondContact O-CA 3.42Å; C1041-L1044 WeakPolarHBondContact O-CB 3.33Å; C1041-L1044 PolarHBondContact O-N 2.72Å; K1042-L1044 PolarHBondContact O-N 3.39Å
1045G49Very low55.4Low19 Ų19110.6 Ų110.620%0.19658%0.581CS.*SBendtrans-90.598173.400000111.8C1041C1041-G1045 PolarHBondContact O-N 3.45Å
1046K37.9Very low53.6Low215 Ų215113 Ų11394%0.93559%0.591SS**  trans-74.7125.2173.4-76.2-173.1173.6-174.20111.3
1047G34.7Very low51.5Low51 Ų51117.6 Ų117.653%0.52662%0.619SS.*  trans101.8123.8174.200000112.9
1048N30.4Very low49.7Very low158 Ų158120 Ų12085%0.84564%0.641SS**  cis-138.6136.4-1.3-69.8-30.5000109.1
1049D38.7Very low47.7Very low121 Ų121124.1 Ų124.165%0.64768%0.675SS**  trans-144104.7160.8-85.3-42.7000107.1K1042 P1051K1042-D1049 WeakPolarHBondContact CE-OD2 3.39Å; K1042-D1049 IonicContact NZ-OD2 2.79Å; K1042-D1049 PolarHBondContact NZ-OD2 3Å; D1049-P1051 WeakPolarHBondContact O-CD 3.44Å
1050S31.3Very low45.8Very low117 Ų117122.4 Ų122.482%0.81868%0.683SS**  trans-80.7120170.2-72.50000109.7L1052S1050-L1052 PolarHBondContact O-N 3.12Å
1051P36.8Very low43.8Very low131 Ų131124.8 Ų124.885%0.85169%0.69SS**  trans-88.4102.9170.95.414.7000109.3D1049 K1053D1049-P1051 WeakPolarHBondContact O-CD 3.44Å; P1051-K1053 PolarHBondContact O-N 3.07Å
1052L31.5Very low41.9Very low162 Ų162129.2 Ų129.285%0.84872%0.719SS**  trans-81.5108.3166.5-79.6168.9000109.7S1050S1050-L1052 PolarHBondContact O-N 3.12Å
1053K33.3Very low40Very low182 Ų182128.2 Ų128.279%0.79173%0.727SS**  157.8149.6123.4-88.8-178.6176.6-172.10114.3P1051P1051-K1053 PolarHBondContact O-N 3.07Å
1054Q36.9Very low38.6Very low153 Ų153130 Ų13072%0.71573%0.731SS**  trans77.1108.8162.9-70.7166.3-37.900115.3
1055E35.9Very low37.6Very low155 Ų155128.8 Ų128.872%0.72473%0.729SS**  75.4117.973.5-72.4164.2-16300108.8
1056D38.4Very low37Very low136 Ų136134 Ų13473%0.72775%0.753SS**  cis-152.3171.817.5-76.8-47.7000115
1057D40.2Very low36.9Very low145 Ų145132 Ų13278%0.77575%0.747SS**  trans83.1106.2146.2-71.4-20.1000126.4
1058V42Very low36.9Very low123 Ų123136.3 Ų136.375%0.74576%0.762SS**  80.5102.4123.5-177.60000122.1
1059A41.9Very low37.1Very low88 Ų88132.4 Ų132.473%0.72776%0.759SS**  trans59.3149.1134.600000121.1
1060S40.4Very low37Very low121 Ų121131.7 Ų131.785%0.84676%0.763SS**  cis-146.8159.519.5-52.30000113.4
1061Q37.7Very low37.1Very low184 Ų184133.3 Ų133.386%0.8676%0.761SS**  trans-103.5-165.4-179.8-89.6-160.4-11.600112.1
1062P40.9Very low36.9Very low103 Ų103135.7 Ų135.767%0.66976%0.759SS**  -137-136.2-61.344-25.6000111.9
1063S37.5Very low37Very low96 Ų96133.2 Ų133.267%0.67175%0.75SS**  trans90.9140.6166.373.70000118.2
1064D36.9Very low37.2Very low140 Ų140131.1 Ų131.175%0.74975%0.748SS**  cis-162.5154.2-12.3-109-23000115.3
1065T37.7Very low37.1Very low104 Ų104128.6 Ų128.664%0.63874%0.742SS**  trans50.912314462.60000127.1
1066N35.5Very low37.1Very low130 Ų130131.5 Ų131.570%0.69575%0.753SS**  91.1144.4115.2-67.17.6000127.4
1067E36.4Very low37.2Very low173 Ų173130.7 Ų130.781%0.80875%0.753SS**  trans74.4152.2147.7-76.9163.1-144.500122.6
1068V34.8Very low37.2Very low140 Ų140134.3 Ų134.385%0.84878%0.781SS**  cis-170.9153.3-34.9127.60000110.5
1069G35.1Very low36.9Very low76 Ų76134.9 Ų134.978%0.78478%0.782SS**  trans90.8163.1164.800000117.7
1070S35.5Very low36.7Very low106 Ų106137.3 Ų137.374%0.74179%0.785SS**  cis-165.2126.3-11.1175.20000112.6
1071I34.3Very low36.5Very low151 Ų151138.2 Ų138.277%0.77478%0.782SS**  trans28.3128.7135.1-57.2158.4000121.9
1072F31.4Very low36.4Very low181 Ų181135.5 Ų135.579%0.79478%0.777SS**  -160.7149.7125.8-137.1-93000113.3
1073V34.3Very low36.1Very low111 Ų111137.6 Ų137.667%0.67378%0.784SS**  trans-149.1138-177.91750000110V1075V1073-V1075 HydrophobicContact CG1-CG2 4.18Å
1074D37Very low36Very low138 Ų138140.3 Ų140.374%0.73879%0.792SS**  trans-159.7120.9157.2-81.3-47.4000105.5
1075V35.1Very low36Very low99 Ų99140.4 Ų140.460%0.680%0.795SS**  cis72.6108.148.5-174.10000114.1V1073V1073-V1075 HydrophobicContact CG1-CG2 4.18Å
1076F35.7Very low35.8Very low217 Ų217143.2 Ų143.295%0.95281%0.807SS**  trans-145.3132.6145.8-104.9-79.9000109.4
1077T41.4Very low35.9Very low119 Ų119144.3 Ų144.373%0.7382%0.816SS**  trans-120132.1-176.845.70000111.5
1078T39.4Very low35.8Very low220 Ų220141.6 Ų141.6100%1.3582%0.817SS**  trans-150.60144.6470000107.5

Retrieved 1,078 of 1,078 residues in 745.8 ms (Link to these results)

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