A0A077YXG1_TRITR Loading...

Zinc finger protein 511

AlphaFold DB , UniProt , Accession A0A077YXG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M56.4Low78.9Confident224 Ų224111.7 Ų111.7100%1.10359%0.594SS**  0-35.30-116.5-174.8169.600114.1C3 Y4M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.03Å; M1-Y4 PolarHBondContact O-N 3.08Å
2F67.6Low79.7Confident189 Ų189103.4 Ų103.483%0.82955%0.553SS**Hα-helixtrans-62.1-28.4-176.1-64.5-74.6000116Y4 A5F2-Y4 PolarHBondContact O-N 3.12Å; F2-A5 PolarHBondContact O-N 2.79Å
3C77.9Confident80.3Confident89 Ų89100 Ų10060%0.60154%0.541SS*.Hα-helixtrans-64.1-36.8-178.5-171.30000113.2M1 A5 L6 L7M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.03Å; C3-A5 PolarHBondContact O-N 2.91Å; C3-L6 PolarHBondContact O-N 3.01Å; C3-L7 WeakPolarHBondContact O-CG 3.13Å; C3-L7 PolarHBondContact O-N 2.89Å
4Y79.8Confident80.9Confident128 Ų12895.7 Ų95.750%0.50253%0.532SS..Hα-helixtrans-68.1-37.9-176.9-159.7-96.4000112.1M1 F2 L6 L7 L8M1-Y4 PolarHBondContact O-N 3.08Å; F2-Y4 PolarHBondContact O-N 3.12Å; Y4-L6 VanDerWaalsContact C-N 3.28Å; Y4-L6 PolarHBondContact O-N 2.76Å; Y4-L7 PolarHBondContact O-N 3.07Å; Y4-L7 VanDerWaalsContact O-N 3.16Å; Y4-L8 HydrophobicContact CD1-CD2 4.2Å; Y4-L8 HydrophobicContact CD1-CG 4.19Å; Y4-L8 HydrophobicContact CE1-CD2 3.72Å; Y4-L8 HydrophobicContact CE1-CG 4.22Å; Y4-L8 WeakPolarHBondContact O-CG 3.31Å; Y4-L8 PolarHBondContact O-N 3.42Å; Y4-L8 VanDerWaalsContact O-N 3.12Å
5A79.7Confident81.4Confident62 Ų6292.1 Ų92.151%0.51251%0.513SS..Hα-helixtrans-61.8-36.5177.600000112.4F2 C3 P9F2-A5 PolarHBondContact O-N 2.79Å; C3-A5 PolarHBondContact O-N 2.91Å; A5-P9 WeakPolarHBondContact O-CD 3.19Å
6L80.7Confident81.9Confident135 Ų13586.3 Ų86.371%0.70748%0.481SS*.Hα-helixtrans-74.9-25.9177.3-63.2175.8000113C3 Y4 P9C3-L6 PolarHBondContact O-N 3.01Å; Y4-L6 VanDerWaalsContact C-N 3.28Å; Y4-L6 PolarHBondContact O-N 2.76Å; L6-P9 WeakPolarHBondContact O-CD 3.23Å
7L83.1Confident82.2Confident77 Ų7789.4 Ų89.440%0.40349%0.488SS..Hα-helixtrans-82-22.8177.1-66.8174000112.8C3 Y4 T10 I11C3-L7 WeakPolarHBondContact O-CG 3.13Å; C3-L7 PolarHBondContact O-N 2.89Å; Y4-L7 PolarHBondContact O-N 3.07Å; Y4-L7 VanDerWaalsContact O-N 3.16Å; L7-T10 WeakPolarHBondContact O-CB 3.44Å; L7-T10 PolarHBondContact O-N 2.78Å; L7-T10 VanDerWaalsContact O-N 3.16Å; L7-I11 HydrophobicContact CB-CD1 4.09Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 2.98Å; L7-I11 PolarHBondContact O-N 3.18Å
8L82.7Confident82.6Confident78 Ų7894.3 Ų94.341%0.40850%0.504SS..Hα-helixtrans-55-47.4-178.9-76.9175.4000113.8Y4 T10 I11 A12Y4-L8 HydrophobicContact CD1-CD2 4.2Å; Y4-L8 HydrophobicContact CD1-CG 4.19Å; Y4-L8 HydrophobicContact CE1-CD2 3.72Å; Y4-L8 HydrophobicContact CE1-CG 4.22Å; Y4-L8 WeakPolarHBondContact O-CG 3.31Å; Y4-L8 PolarHBondContact O-N 3.42Å; Y4-L8 VanDerWaalsContact O-N 3.12Å; L8-T10 VanDerWaalsContact C-N 3.33Å; L8-T10 PolarHBondContact O-N 2.94Å; L8-I11 PolarHBondContact O-N 3.35Å; L8-A12 VanDerWaalsContact O-CB 3.26Å; L8-A12 WeakPolarHBondContact O-CB 3Å; L8-A12 PolarHBondContact O-N 2.81Å
9P85Confident82.8Confident80 Ų8094.3 Ų94.352%0.51950%0.504SS..Hα-helixtrans-62.9-39.9176.9-20.732.5000112.4A5 L6 A12 C13A5-P9 WeakPolarHBondContact O-CD 3.19Å; L6-P9 WeakPolarHBondContact O-CD 3.23Å; P9-A12 PolarHBondContact O-N 2.92Å; P9-C13 WeakPolarHBondContact O-CB 3.19Å; P9-C13 PolarHBondContact O-N 3.04Å; P9-C13 PolarHBondContact O-SG 3.03Å; P9-C13 VanDerWaalsContact O-SG 3.36Å
10T87.5Confident83.1Confident95 Ų9592.3 Ų92.358%0.58349%0.49SS*.Hα-helixtrans-64.4-45.4179.2-48.60000111L7 L8 G14L7-T10 WeakPolarHBondContact O-CB 3.44Å; L7-T10 PolarHBondContact O-N 2.78Å; L7-T10 VanDerWaalsContact O-N 3.16Å; L8-T10 VanDerWaalsContact C-N 3.33Å; L8-T10 PolarHBondContact O-N 2.94Å; T10-G14 PolarHBondContact O-N 3.22Å
11I87.4Confident83.1Confident72 Ų7289.3 Ų89.337%0.36948%0.482SS..Hα-helixtrans-66.6-45.8177.3-64.1166.4000110.3L7 L8 C13 G14 V15 T38L7-I11 HydrophobicContact CB-CD1 4.09Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 2.98Å; L7-I11 PolarHBondContact O-N 3.18Å; L8-I11 PolarHBondContact O-N 3.35Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.74Å; I11-G14 PolarHBondContact O-N 2.7Å; I11-G14 VanDerWaalsContact O-N 3.15Å; I11-V15 HydrophobicContact CG2-CG2 4.05Å; I11-V15 WeakPolarHBondContact O-CB 3.22Å; I11-V15 WeakPolarHBondContact O-CG2 3.36Å; I11-V15 PolarHBondContact O-N 3.3Å; I11-T38 HydrophobicContact CG2-CG2 4.17Å
12A88.5Confident84.4Confident12 Ų1289.1 Ų89.110%0.09948%0.475CS..Hα-helixtrans-60.1-42.2178.600000112L8 P9 G16L8-A12 VanDerWaalsContact O-CB 3.26Å; L8-A12 WeakPolarHBondContact O-CB 3Å; L8-A12 PolarHBondContact O-N 2.81Å; P9-A12 PolarHBondContact O-N 2.92Å; A12-G16 PolarHBondContact O-N 2.88Å
13C87.1Confident85.2Confident59 Ų5986.6 Ų86.640%0.39947%0.469SS..Hα-helixtrans-64.5-42.7173.5-77.30000112.3P9 I11 K17P9-C13 WeakPolarHBondContact O-CB 3.19Å; P9-C13 PolarHBondContact O-N 3.04Å; P9-C13 PolarHBondContact O-SG 3.03Å; P9-C13 VanDerWaalsContact O-SG 3.36Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.74Å; C13-K17 WeakPolarHBondContact O-CB 3.46Å; C13-K17 VanDerWaalsContact O-CG 3.3Å; C13-K17 WeakPolarHBondContact O-CG 3.45Å; C13-K17 PolarHBondContact O-N 3.32Å
14G89Confident85.4Confident40 Ų4083.1 Ų83.141%0.41245%0.445SS..Hα-helixtrans-62.7-51.5177.100000112.5T10 I11 G16 K17 F18T10-G14 PolarHBondContact O-N 3.22Å; I11-G14 PolarHBondContact O-N 2.7Å; I11-G14 VanDerWaalsContact O-N 3.15Å; G14-G16 PolarHBondContact O-N 2.79Å; G14-K17 PolarHBondContact O-N 3.41Å; G14-F18 WeakPolarHBondContact O-CB 3.47Å; G14-F18 PolarHBondContact O-N 3.07Å
15V88.8Confident85.7Confident41 Ų4183.2 Ų83.225%0.24846%0.459CS..Hα-helixtrans-63.4-41.7178.1174.60000111I11 K17 F18 L19 T38I11-V15 HydrophobicContact CG2-CG2 4.05Å; I11-V15 WeakPolarHBondContact O-CB 3.22Å; I11-V15 WeakPolarHBondContact O-CG2 3.36Å; I11-V15 PolarHBondContact O-N 3.3Å; V15-K17 VanDerWaalsContact C-N 3.32Å; V15-K17 PolarHBondContact O-N 3.42Å; V15-F18 PolarHBondContact O-N 3.18Å; V15-L19 HydrophobicContact CG1-CD1 3.56Å; V15-L19 HydrophobicContact CG1-CG 4.08Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 PolarHBondContact O-N 2.89Å; V15-T38 HydrophobicContact CB-CG2 4.05Å; V15-T38 HydrophobicContact CG1-CG2 4.09Å; V15-T38 HydrophobicContact CG2-CG2 3.87Å
16G88.9Confident86.2Confident0 Ų083.4 Ų83.40%045%0.451CS..Hα-helixtrans-62.9-37.6175.300000112.8A12 G14 F20 G21 R30A12-G16 PolarHBondContact O-N 2.88Å; G14-G16 PolarHBondContact O-N 2.79Å; G16-F20 CarbonylContact O-C 3.51Å; G16-F20 WeakPolarHBondContact O-CA 3.43Å; G16-F20 WeakPolarHBondContact O-CB 3.22Å; G16-F20 PolarHBondContact O-N 2.86Å; G16-F20 VanDerWaalsContact O-N 3.09Å; G16-G21 PolarHBondContact O-N 3.3Å; G16-R30 WeakPolarHBondContact CA-O 3.25Å
17K87.2Confident86.5Confident139 Ų13981.8 Ų81.860%0.60445%0.449SS*.Hα-helixtrans-67.2-41.3173.6-77-179.3178.8179.30112.3C13 G14 V15 G21 R30C13-K17 WeakPolarHBondContact O-CB 3.46Å; C13-K17 VanDerWaalsContact O-CG 3.3Å; C13-K17 WeakPolarHBondContact O-CG 3.45Å; C13-K17 PolarHBondContact O-N 3.32Å; G14-K17 PolarHBondContact O-N 3.41Å; V15-K17 VanDerWaalsContact C-N 3.32Å; V15-K17 PolarHBondContact O-N 3.42Å; K17-G21 VanDerWaalsContact O-CA 3.24Å; K17-G21 WeakPolarHBondContact O-CA 3.46Å; K17-G21 PolarHBondContact O-N 3.29Å; K17-R30 VanDerWaalsContact CA-NH2 3.31Å; K17-R30 PolarHBondContact O-NH2 2.77Å
18F89.2Confident86.7Confident177 Ų17784.8 Ų84.878%0.77647%0.465SS*.Hα-helixtrans-70.9-52.7-177.9-179.4-103.6000112.8G14 V15G14-F18 WeakPolarHBondContact O-CB 3.47Å; G14-F18 PolarHBondContact O-N 3.07Å; V15-F18 PolarHBondContact O-N 3.18Å
19L86.8Confident87.1Confident94 Ų9486.7 Ų86.749%0.49247%0.47SS..Hα-helixtrans-78.9-40.9-175.8-64.6179.8000112.7V15 A37V15-L19 HydrophobicContact CG1-CD1 3.56Å; V15-L19 HydrophobicContact CG1-CG 4.08Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 PolarHBondContact O-N 2.89Å; L19-A37 HydrophobicContact CD1-CB 4.25Å
20F89.5Confident87.3Confident54 Ų5485.6 Ų85.624%0.23746%0.455CS..Hα-helixtrans-113.711.8-168.6-55.9-63.9000113.1G16 K22 I23 T24 L33 A37G16-F20 CarbonylContact O-C 3.51Å; G16-F20 WeakPolarHBondContact O-CA 3.43Å; G16-F20 WeakPolarHBondContact O-CB 3.22Å; G16-F20 PolarHBondContact O-N 2.86Å; G16-F20 VanDerWaalsContact O-N 3.09Å; F20-K22 PolarHBondContact O-N 2.83Å; F20-I23 HydrophobicContact CB-CG2 3.68Å; F20-I23 HydrophobicContact CD1-CG2 3.77Å; F20-I23 HydrophobicContact CG-CG2 4.18Å; F20-I23 PolarHBondContact O-N 2.85Å; F20-T24 HydrophobicContact CB-CG2 3.99Å; F20-T24 PolarHBondContact O-N 3.02Å; F20-L33 HydrophobicContact CD1-CD1 4.39Å; F20-L33 HydrophobicContact CD2-CB 3.54Å; F20-L33 HydrophobicContact CE2-CB 3.64Å; F20-L33 HydrophobicContact CG-CB 4.07Å; F20-L33 HydrophobicContact CG-CD1 4.23Å; F20-L33 HydrophobicContact CZ-CB 4.22Å; F20-A37 HydrophobicContact CE2-CB 4.22Å
21G82.3Confident87.4Confident31 Ų3182.5 Ų82.532%0.3244%0.439SS..THydrogen-bonded Turntrans-63.5-24.9-17900000115.1G16 K17G16-G21 PolarHBondContact O-N 3.3Å; K17-G21 VanDerWaalsContact O-CA 3.24Å; K17-G21 WeakPolarHBondContact O-CA 3.46Å; K17-G21 PolarHBondContact O-N 3.29Å
22K83.6Confident87.6Confident219 Ų21985.2 Ų85.295%0.95245%0.454SS*.THydrogen-bonded Turntrans-92.1-22.8176-65.5-174.7178.7-179.60113.8F20F20-K22 PolarHBondContact O-N 2.83Å
23I84.4Confident87.8Confident136 Ų13688.3 Ų88.370%0.69747%0.468SS*.THydrogen-bonded Turntrans-93.4-31.8-170-15776.4000112.9F20F20-I23 HydrophobicContact CB-CG2 3.68Å; F20-I23 HydrophobicContact CD1-CG2 3.77Å; F20-I23 HydrophobicContact CG-CG2 4.18Å; F20-I23 PolarHBondContact O-N 2.85Å
24T83.2Confident87.9Confident17 Ų1785.5 Ų85.510%0.10445%0.449CS..  trans-134.3127.4-178.8170.50000109.8F20 K29 R30 L33F20-T24 HydrophobicContact CB-CG2 3.99Å; F20-T24 PolarHBondContact O-N 3.02Å; T24-K29 WeakPolarHBondContact OG1-CB 3.27Å; T24-R30 HydrophobicContact CG2-CB 4.27Å; T24-R30 HydrophobicContact CG2-CG 3.32Å; T24-R30 WeakPolarHBondContact O-CD 3.27Å; T24-R30 WeakPolarHBondContact O-CG 3.45Å; T24-L33 HydrophobicContact CG2-CD1 3.99Å
25T85.6Confident88.1Confident129 Ų12984.3 Ų84.379%0.79144%0.437SS*.  trans-78.6-35177.748.20000111.5
26D89.3Confident88.3Confident67 Ų6784.8 Ų84.836%0.35845%0.445SS..  trans-65123.9-176.9-64.9-41.9000111.8L28 K29 R30D26-L28 VanDerWaalsContact C-N 3.34Å; D26-L28 PolarHBondContact O-N 3.44Å; D26-K29 HydrophobicContact CB-CB 4.06Å; D26-K29 HydrophobicContact CB-CD 3.98Å; D26-K29 HydrophobicContact CB-CG 3.96Å; D26-K29 PolarHBondContact O-N 2.89Å; D26-K29 WeakPolarHBondContact OD2-CD 3.48Å; D26-K29 VanDerWaalsContact OD2-CE 3.22Å; D26-K29 WeakPolarHBondContact OD2-CE 3.44Å; D26-K29 IonicContact OD2-NZ 2.71Å; D26-K29 PolarHBondContact OD2-NZ 2.87Å; D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 3.42Å; D26-R30 PolarHBondContact O-N 3.24Å; D26-R30 VanDerWaalsContact O-N 3.11Å
27P87.3Confident88.5Confident101 Ų10186 Ų8666%0.65646%0.455SS*.Hα-helixtrans-64.6-36.4-178.124.1-32.7000112.8R30 A31P27-R30 PolarHBondContact O-N 3.22Å; P27-A31 PolarHBondContact O-N 3.17Å
28L88.5Confident88.7Confident139 Ų13981 Ų8173%0.72844%0.436SS*.Hα-helixtrans-65.3-46.6177.2-78.9169000112.2D26 R30 A31 L32D26-L28 VanDerWaalsContact C-N 3.34Å; D26-L28 PolarHBondContact O-N 3.44Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 2.84Å; L28-A31 PolarHBondContact O-N 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 2.97Å
29K89.6Confident88.8Confident119 Ų11978.4 Ų78.452%0.51743%0.429SS..Hα-helixtrans-62.9-39.3178-66.6-178.4-174.4154.30111.5T24 D26 L32 L33T24-K29 WeakPolarHBondContact OG1-CB 3.27Å; D26-K29 HydrophobicContact CB-CB 4.06Å; D26-K29 HydrophobicContact CB-CD 3.98Å; D26-K29 HydrophobicContact CB-CG 3.96Å; D26-K29 PolarHBondContact O-N 2.89Å; D26-K29 WeakPolarHBondContact OD2-CD 3.48Å; D26-K29 VanDerWaalsContact OD2-CE 3.22Å; D26-K29 WeakPolarHBondContact OD2-CE 3.44Å; D26-K29 IonicContact OD2-NZ 2.71Å; D26-K29 PolarHBondContact OD2-NZ 2.87Å; K29-L32 PolarHBondContact O-N 2.99Å; K29-L33 WeakPolarHBondContact O-CG 3.28Å; K29-L33 PolarHBondContact O-N 3.46Å
30R89.8Confident89.1Confident57 Ų5779.7 Ų79.722%0.21544%0.436CS..Hα-helixtrans-59.8-47173.9-71.7169.580.6171.17.1112.1G16 K17 T24 D26 P27 L28 L32 L33 G34G16-R30 WeakPolarHBondContact CA-O 3.25Å; K17-R30 VanDerWaalsContact CA-NH2 3.31Å; K17-R30 PolarHBondContact O-NH2 2.77Å; T24-R30 HydrophobicContact CG2-CB 4.27Å; T24-R30 HydrophobicContact CG2-CG 3.32Å; T24-R30 WeakPolarHBondContact O-CD 3.27Å; T24-R30 WeakPolarHBondContact O-CG 3.45Å; D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 3.42Å; D26-R30 PolarHBondContact O-N 3.24Å; D26-R30 VanDerWaalsContact O-N 3.11Å; P27-R30 PolarHBondContact O-N 3.22Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 2.84Å; R30-L32 VanDerWaalsContact C-N 3.35Å; R30-L33 PolarHBondContact O-N 3.45Å; R30-G34 PolarHBondContact O-N 3.48Å
31A89.7Confident89.2Confident29 Ų2979.7 Ų79.724%0.2445%0.446CS..Hα-helixtrans-63.6-41.1178.900000111.6P27 L28 G34 G35P27-A31 PolarHBondContact O-N 3.17Å; L28-A31 PolarHBondContact O-N 3.26Å; A31-G34 PolarHBondContact O-N 3.32Å; A31-G35 PolarHBondContact O-N 3.32Å
32L91.4Very high89.6Confident130 Ų13083.9 Ų83.968%0.68146%0.456SS*.Hα-helixtrans-63.4-47.6176.2-72.8172.9000112.4L28 K29 R30 G35 A36L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 2.97Å; K29-L32 PolarHBondContact O-N 2.99Å; R30-L32 VanDerWaalsContact C-N 3.35Å; L32-G35 PolarHBondContact O-N 2.89Å; L32-A36 PolarHBondContact O-N 3.45Å
33L91.8Very high90.1Very high76 Ų7675.2 Ų75.240%0.39843%0.428SS..Hα-helixtrans-65-40.1177.5-71.5170.5000112F20 T24 K29 R30 A36 A37F20-L33 HydrophobicContact CD1-CD1 4.39Å; F20-L33 HydrophobicContact CD2-CB 3.54Å; F20-L33 HydrophobicContact CE2-CB 3.64Å; F20-L33 HydrophobicContact CG-CB 4.07Å; F20-L33 HydrophobicContact CG-CD1 4.23Å; F20-L33 HydrophobicContact CZ-CB 4.22Å; T24-L33 HydrophobicContact CG2-CD1 3.99Å; K29-L33 WeakPolarHBondContact O-CG 3.28Å; K29-L33 PolarHBondContact O-N 3.46Å; R30-L33 PolarHBondContact O-N 3.45Å; L33-A36 PolarHBondContact O-N 3.49Å; L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 3.4Å
34G91Very high90.7Very high0 Ų073.6 Ų73.60%042%0.424CS..Hα-helixtrans-62-43.2173.200000112.2R30 A31 A37 T38R30-G34 PolarHBondContact O-N 3.48Å; A31-G34 PolarHBondContact O-N 3.32Å; G34-A37 PolarHBondContact O-N 3.43Å; G34-T38 VanDerWaalsContact O-CG2 3.32Å; G34-T38 WeakPolarHBondContact O-CG2 3.32Å; G34-T38 PolarHBondContact O-N 3.42Å; G34-T38 PolarHBondContact O-OG1 3.21Å
35G92.2Very high91.1Very high16 Ų1675.8 Ų75.817%0.16544%0.439CS..Hα-helixtrans-57.2-50.3172.100000112.4A31 L32 A37 T38 I39A31-G35 PolarHBondContact O-N 3.32Å; L32-G35 PolarHBondContact O-N 2.89Å; G35-A37 PolarHBondContact O-N 2.97Å; G35-T38 WeakPolarHBondContact CA-OG1 3.5Å; G35-T38 PolarHBondContact O-N 3Å; G35-T38 PolarHBondContact O-OG1 2.9Å; G35-I39 WeakPolarHBondContact O-CG1 3.5Å; G35-I39 PolarHBondContact O-N 3.43Å
36A92.4Very high91.5Very high51 Ų5173.7 Ų73.742%0.42143%0.427SS..Hα-helixtrans-58.9-45.7176.500000112.1L32 L33 T38 I39 L40L32-A36 PolarHBondContact O-N 3.45Å; L33-A36 PolarHBondContact O-N 3.49Å; A36-T38 PolarHBondContact O-N 3.21Å; A36-I39 PolarHBondContact O-N 2.9Å; A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 3.42Å
37A93.4Very high91.8Very high25 Ų2575.4 Ų75.421%0.20744%0.439CS..Hα-helixtrans-61.5-42.6177.800000112.4L19 F20 L33 G34 G35 L40 A41L19-A37 HydrophobicContact CD1-CB 4.25Å; F20-A37 HydrophobicContact CE2-CB 4.22Å; L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 3.4Å; G34-A37 PolarHBondContact O-N 3.43Å; G35-A37 PolarHBondContact O-N 2.97Å; A37-L40 PolarHBondContact O-N 3.41Å; A37-A41 VanDerWaalsContact O-CB 3.3Å; A37-A41 WeakPolarHBondContact O-CB 3.39Å; A37-A41 PolarHBondContact O-N 3.41Å
38T90.6Very high92Very high33 Ų3377.4 Ų77.420%0.20244%0.435CS..Hα-helixtrans-66.4-38.5177.855.10000113I11 V15 G34 G35 A36 K42I11-T38 HydrophobicContact CG2-CG2 4.17Å; V15-T38 HydrophobicContact CB-CG2 4.05Å; V15-T38 HydrophobicContact CG1-CG2 4.09Å; V15-T38 HydrophobicContact CG2-CG2 3.87Å; G34-T38 VanDerWaalsContact O-CG2 3.32Å; G34-T38 WeakPolarHBondContact O-CG2 3.32Å; G34-T38 PolarHBondContact O-N 3.42Å; G34-T38 PolarHBondContact O-OG1 3.21Å; G35-T38 WeakPolarHBondContact CA-OG1 3.5Å; G35-T38 PolarHBondContact O-N 3Å; G35-T38 PolarHBondContact O-OG1 2.9Å; A36-T38 PolarHBondContact O-N 3.21Å; T38-K42 VanDerWaalsContact O-CB 3.26Å; T38-K42 WeakPolarHBondContact O-CB 3.43Å; T38-K42 PolarHBondContact O-N 3.23Å
39I91.8Very high92.1Very high123 Ų12378.2 Ų78.263%0.63143%0.429SS*.Hα-helixtrans-64.4-46.1175.2-67.6167000110.3G35 A36 K42 G43G35-I39 WeakPolarHBondContact O-CG1 3.5Å; G35-I39 PolarHBondContact O-N 3.43Å; A36-I39 PolarHBondContact O-N 2.9Å; I39-K42 PolarHBondContact O-N 3.26Å; I39-G43 PolarHBondContact O-N 2.84Å
40L93.9Very high92Very high122 Ų12278.2 Ų78.264%0.63943%0.429SS*.Hα-helixtrans-61.6-49.6177.3-72.4172.3000111.6A36 A37 K42 G43 V44A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 3.42Å; A37-L40 PolarHBondContact O-N 3.41Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.17Å; L40-G43 PolarHBondContact O-N 3.3Å; L40-G43 VanDerWaalsContact O-N 3.15Å; L40-V44 WeakPolarHBondContact O-CG2 3.5Å; L40-V44 PolarHBondContact O-N 3.2Å
41A91.8Very high91.9Very high54 Ų5483.1 Ų83.145%0.44645%0.449SS..Hα-helixtrans-58.9-44.8178.200000111.6A37 G43 V44 C45A37-A41 VanDerWaalsContact O-CB 3.3Å; A37-A41 WeakPolarHBondContact O-CB 3.39Å; A37-A41 PolarHBondContact O-N 3.41Å; A41-G43 VanDerWaalsContact C-N 3.35Å; A41-G43 PolarHBondContact O-N 2.99Å; A41-V44 PolarHBondContact O-N 2.71Å; A41-C45 WeakPolarHBondContact O-CB 3.32Å; A41-C45 PolarHBondContact O-N 2.94Å; A41-C45 PolarHBondContact O-SG 3.47Å
42K90.1Very high91.6Very high119 Ų11984.6 Ų84.652%0.51745%0.453SS..Hα-helixtrans-60.4-43.8175.3-176-177.5177.6-173.40111.6T38 I39 L40 C45 V46T38-K42 VanDerWaalsContact O-CB 3.26Å; T38-K42 WeakPolarHBondContact O-CB 3.43Å; T38-K42 PolarHBondContact O-N 3.23Å; I39-K42 PolarHBondContact O-N 3.26Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.17Å; K42-C45 PolarHBondContact O-N 3.46Å; K42-V46 WeakPolarHBondContact O-CG2 3.43Å; K42-V46 PolarHBondContact O-N 2.78Å
43G94.8Very high91.2Very high36 Ų3685.1 Ų85.137%0.37145%0.451SS..Hα-helixtrans-59.2-49.2176.700000112.3I39 L40 A41 C45 V46 V47I39-G43 PolarHBondContact O-N 2.84Å; L40-G43 PolarHBondContact O-N 3.3Å; L40-G43 VanDerWaalsContact O-N 3.15Å; A41-G43 VanDerWaalsContact C-N 3.35Å; A41-G43 PolarHBondContact O-N 2.99Å; G43-C45 PolarHBondContact O-N 2.88Å; G43-V46 PolarHBondContact O-N 3.38Å; G43-V47 WeakPolarHBondContact O-CG2 3.39Å; G43-V47 PolarHBondContact O-N 2.96Å
44V95.9Very high90.7Very high103 Ų10385 Ų8562%0.62445%0.45SS*.Hα-helixtrans-59.8-46.2176.7173.20000111.1L40 A41 V46 V47 Y48L40-V44 WeakPolarHBondContact O-CG2 3.5Å; L40-V44 PolarHBondContact O-N 3.2Å; A41-V44 PolarHBondContact O-N 2.71Å; V44-V46 PolarHBondContact O-N 3.37Å; V44-V47 PolarHBondContact O-N 2.91Å; V44-Y48 WeakPolarHBondContact O-CB 3.41Å; V44-Y48 PolarHBondContact O-N 2.71Å
45C92.2Very high90Very high62 Ų6286.2 Ų86.242%0.41946%0.459SS..Hα-helixtrans-58.9-45.4177-720000112A41 K42 G43 Y48 Y49A41-C45 WeakPolarHBondContact O-CB 3.32Å; A41-C45 PolarHBondContact O-N 2.94Å; A41-C45 PolarHBondContact O-SG 3.47Å; K42-C45 PolarHBondContact O-N 3.46Å; G43-C45 PolarHBondContact O-N 2.88Å; C45-Y48 WeakPolarHBondContact O-CB 3.28Å; C45-Y48 PolarHBondContact O-N 2.96Å; C45-Y49 HydrophobicContact CB-CD2 4.34Å; C45-Y49 HydrophobicContact CB-CE2 4.16Å; C45-Y49 WeakPolarHBondContact O-CD2 3.22Å; C45-Y49 PolarHBondContact O-N 3.39Å
46V94.4Very high89.1Confident86 Ų8694.5 Ų94.552%0.52149%0.485SS..Hα-helixtrans-63.3-44.3179.41700000111.7K42 G43 V44 Y48 Y49 K50K42-V46 WeakPolarHBondContact O-CG2 3.43Å; K42-V46 PolarHBondContact O-N 2.78Å; G43-V46 PolarHBondContact O-N 3.38Å; V44-V46 PolarHBondContact O-N 3.37Å; V46-Y48 VanDerWaalsContact C-N 3.31Å; V46-Y48 PolarHBondContact O-N 3.37Å; V46-Y49 PolarHBondContact O-N 3.23Å; V46-K50 WeakPolarHBondContact O-CB 3.35Å; V46-K50 PolarHBondContact O-N 3.23Å
47V94Very high88.2Confident103 Ų10395.4 Ų95.462%0.62449%0.489SS*.Hα-helixtrans-60.6-44.2175.5172.90000110.4G43 V44 K50 Y51G43-V47 WeakPolarHBondContact O-CG2 3.39Å; G43-V47 PolarHBondContact O-N 2.96Å; V44-V47 PolarHBondContact O-N 2.91Å; V47-K50 PolarHBondContact O-N 3.43Å; V47-Y51 WeakPolarHBondContact O-CB 3.4Å; V47-Y51 PolarHBondContact O-N 2.96Å
48Y92.3Very high86.9Confident143 Ų143102.1 Ų102.156%0.56151%0.509SS*.Hα-helixtrans-61.3-45.3176.3178.6-96.5000112.4V44 C45 V46 Y51 N52V44-Y48 WeakPolarHBondContact O-CB 3.41Å; V44-Y48 PolarHBondContact O-N 2.71Å; C45-Y48 WeakPolarHBondContact O-CB 3.28Å; C45-Y48 PolarHBondContact O-N 2.96Å; V46-Y48 VanDerWaalsContact C-N 3.31Å; V46-Y48 PolarHBondContact O-N 3.37Å; Y48-Y51 PolarHBondContact O-N 2.91Å; Y48-N52 WeakPolarHBondContact O-CB 3.42Å; Y48-N52 PolarHBondContact O-N 3.29Å
49Y90.4Very high85.5Confident156 Ų156106.7 Ų106.761%0.61253%0.531SS*.Hα-helixtrans-63.9-43.1177.1-77.4-62.7000112C45 V46 Y51 N52 Q53C45-Y49 HydrophobicContact CB-CD2 4.34Å; C45-Y49 HydrophobicContact CB-CE2 4.16Å; C45-Y49 WeakPolarHBondContact O-CD2 3.22Å; C45-Y49 PolarHBondContact O-N 3.39Å; V46-Y49 PolarHBondContact O-N 3.23Å; Y49-Y51 VanDerWaalsContact C-N 3.35Å; Y49-N52 PolarHBondContact O-N 2.91Å; Y49-Q53 WeakPolarHBondContact O-CB 3.42Å; Y49-Q53 PolarHBondContact O-N 3.42Å
50K88.3Confident84.2Confident119 Ų119104.6 Ų104.652%0.51753%0.528SS..Hα-helixtrans-62.8-43.2175.6-176.3174.7-179.9177.10111.2V46 V47 Q53 I54V46-K50 WeakPolarHBondContact O-CB 3.35Å; V46-K50 PolarHBondContact O-N 3.23Å; V47-K50 PolarHBondContact O-N 3.43Å; K50-Q53 PolarHBondContact O-N 3.35Å; K50-I54 HydrophobicContact CG-CD1 3.91Å; K50-I54 HydrophobicContact CG-CG1 4.49Å; K50-I54 WeakPolarHBondContact O-CB 3.35Å; K50-I54 VanDerWaalsContact O-CG1 3.28Å; K50-I54 WeakPolarHBondContact O-CG1 3.46Å; K50-I54 PolarHBondContact O-N 3.46Å
51Y87.6Confident83Confident160 Ų160103.8 Ų103.863%0.62752%0.523SS*.Hα-helixtrans-59.4-47.5174.4175.7-96.8000111.4V47 Y48 Y49 Q53 I54 S55V47-Y51 WeakPolarHBondContact O-CB 3.4Å; V47-Y51 PolarHBondContact O-N 2.96Å; Y48-Y51 PolarHBondContact O-N 2.91Å; Y49-Y51 VanDerWaalsContact C-N 3.35Å; Y51-Q53 VanDerWaalsContact C-N 3.32Å; Y51-Q53 PolarHBondContact O-N 3.37Å; Y51-I54 PolarHBondContact O-N 3.48Å; Y51-S55 WeakPolarHBondContact O-CB 3.32Å; Y51-S55 PolarHBondContact O-N 3.42Å
52N83.2Confident81.6Confident60 Ų60108.1 Ų108.132%0.32154%0.537SS..Hα-helixtrans-63.5-38.2177.8-166.847.2000111.8Y48 Y49 S55 R56Y48-N52 WeakPolarHBondContact O-CB 3.42Å; Y48-N52 PolarHBondContact O-N 3.29Å; Y49-N52 PolarHBondContact O-N 2.91Å; N52-S55 PolarHBondContact O-N 3.47Å; N52-R56 VanDerWaalsContact O-CG 3.31Å; N52-R56 WeakPolarHBondContact O-CG 3.34Å; N52-R56 PolarHBondContact O-N 2.92Å
53Q83Confident79.9Confident140 Ų140108.6 Ų108.665%0.65455%0.545SS*.Hα-helixtrans-65.1-46.3175.8-170.6177.719.600111.7Y49 K50 Y51 S55 R56 S57Y49-Q53 WeakPolarHBondContact O-CB 3.42Å; Y49-Q53 PolarHBondContact O-N 3.42Å; K50-Q53 PolarHBondContact O-N 3.35Å; Y51-Q53 VanDerWaalsContact C-N 3.32Å; Y51-Q53 PolarHBondContact O-N 3.37Å; Q53-S55 VanDerWaalsContact C-N 3.32Å; Q53-S55 PolarHBondContact O-N 2.92Å; Q53-R56 PolarHBondContact O-N 3.37Å; Q53-S57 PolarHBondContact O-N 3.43Å
54I81Confident78.4Confident74 Ų74113.4 Ų113.438%0.37956%0.562SS.*Hα-helixtrans-62.7-40.5174.8-68.2166.9000110.5K50 Y51 R56 S57 R58K50-I54 HydrophobicContact CG-CD1 3.91Å; K50-I54 HydrophobicContact CG-CG1 4.49Å; K50-I54 WeakPolarHBondContact O-CB 3.35Å; K50-I54 VanDerWaalsContact O-CG1 3.28Å; K50-I54 WeakPolarHBondContact O-CG1 3.46Å; K50-I54 PolarHBondContact O-N 3.46Å; Y51-I54 PolarHBondContact O-N 3.48Å; I54-R56 VanDerWaalsContact C-N 3.25Å; I54-R56 PolarHBondContact O-N 3.28Å; I54-S57 WeakPolarHBondContact CA-OG 3.3Å; I54-S57 PolarHBondContact O-N 3.35Å; I54-S57 PolarHBondContact O-OG 3Å; I54-S57 VanDerWaalsContact O-OG 3.06Å; I54-R58 HydrophobicContact CG2-CG 4.07Å; I54-R58 WeakPolarHBondContact O-CB 3.37Å; I54-R58 VanDerWaalsContact O-CG 3.27Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 2.87Å
55S76.1Confident76.1Confident25 Ų25117.3 Ų117.318%0.17557%0.571CS.*Hα-helixtrans-61.4-36.3176.6-172.60000111.8Y51 N52 Q53 N59Y51-S55 WeakPolarHBondContact O-CB 3.32Å; Y51-S55 PolarHBondContact O-N 3.42Å; N52-S55 PolarHBondContact O-N 3.47Å; Q53-S55 VanDerWaalsContact C-N 3.32Å; Q53-S55 PolarHBondContact O-N 2.92Å; S55-N59 PolarHBondContact O-N 3.39Å
56R73.6Confident74.6Confident191 Ų191120.1 Ų120.172%0.72158%0.582SS**Hα-helixtrans-70.7-41.9175.4-69.4176.879.5176.66.3111.9N52 Q53 I54 N59N52-R56 VanDerWaalsContact O-CG 3.31Å; N52-R56 WeakPolarHBondContact O-CG 3.34Å; N52-R56 PolarHBondContact O-N 2.92Å; Q53-R56 PolarHBondContact O-N 3.37Å; I54-R56 VanDerWaalsContact C-N 3.25Å; I54-R56 PolarHBondContact O-N 3.28Å; R56-N59 PolarHBondContact O-N 3.05Å
57S72.8Confident72.5Confident70 Ų70123 Ų12349%0.4959%0.594SS.*Hα-helixtrans-71.9-30.5177.868.10000113Q53 I54 N59 S60Q53-S57 PolarHBondContact O-N 3.43Å; I54-S57 WeakPolarHBondContact CA-OG 3.3Å; I54-S57 PolarHBondContact O-N 3.35Å; I54-S57 PolarHBondContact O-OG 3Å; I54-S57 VanDerWaalsContact O-OG 3.06Å; S57-N59 PolarHBondContact O-N 3.41Å; S57-S60 PolarHBondContact O-N 2.9Å; S57-S60 VanDerWaalsContact O-N 3.16Å; S57-S60 PolarHBondContact O-OG 3.47Å
58R66.6Low70.3Confident166 Ų166125.8 Ų125.863%0.62660%0.598SS**Hα-helixtrans-66.9-27.4174.8-75.7-17971.9140.64.5113.2I54 S60I54-R58 HydrophobicContact CG2-CG 4.07Å; I54-R58 WeakPolarHBondContact O-CB 3.37Å; I54-R58 VanDerWaalsContact O-CG 3.27Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 2.87Å; R58-S60 VanDerWaalsContact C-N 3.32Å
59N62.3Low68.2Low128 Ų128126.2 Ų126.268%0.68461%0.61SS**THydrogen-bonded Turntrans-86.6-1.2175.9-68.8-12.4000112.8S55 R56 S57 I61S55-N59 PolarHBondContact O-N 3.39Å; R56-N59 PolarHBondContact O-N 3.05Å; S57-N59 PolarHBondContact O-N 3.41Å; N59-I61 VanDerWaalsContact C-N 3.34Å; N59-I61 PolarHBondContact O-N 3.15Å
60S63.8Low66.1Low79 Ų79127.1 Ų127.155%0.55262%0.62SS**  trans-73.495.2168.2700000108.3S57 R58 I62S57-S60 PolarHBondContact O-N 2.9Å; S57-S60 VanDerWaalsContact O-N 3.16Å; S57-S60 PolarHBondContact O-OG 3.47Å; R58-S60 VanDerWaalsContact C-N 3.32Å; S60-I62 PolarHBondContact O-N 3.26Å
61I67.9Low64.1Low106 Ų106129.3 Ų129.354%0.54463%0.632SS.*  trans-62.4117.8164.5-76.7170.8000106.7N59 L63N59-I61 VanDerWaalsContact C-N 3.34Å; N59-I61 PolarHBondContact O-N 3.15Å; I61-L63 VanDerWaalsContact C-N 3.3Å; I61-L63 HydrophobicContact CG2-CD2 4.49Å; I61-L63 HydrophobicContact CG2-CG 4.48Å; I61-L63 PolarHBondContact O-N 3.36Å
62I63.4Low62.3Low144 Ų144127.5 Ų127.574%0.73864%0.64SS**  trans-68.298.2165.2-58.6172.3000104.8S60 N64S60-I62 PolarHBondContact O-N 3.26Å; I62-N64 PolarHBondContact O-N 3.44Å; I62-N64 VanDerWaalsContact O-N 3.15Å
63L55.2Low60.8Low130 Ų130130.2 Ų130.268%0.68166%0.662SS**  trans-61.6114.2161.1-71.6165.1000104.6I61 F65I61-L63 VanDerWaalsContact C-N 3.3Å; I61-L63 HydrophobicContact CG2-CD2 4.49Å; I61-L63 HydrophobicContact CG2-CG 4.48Å; I61-L63 PolarHBondContact O-N 3.36Å; L63-F65 PolarHBondContact O-N 2.85Å
64N61.5Low59.1Low136 Ų136129 Ų12973%0.72767%0.668SS**  trans-56.4113.9165.1-64.4-51.8000105.1I62 D66I62-N64 PolarHBondContact O-N 3.44Å; I62-N64 VanDerWaalsContact O-N 3.15Å; N64-D66 VanDerWaalsContact C-N 3.34Å; N64-D66 PolarHBondContact O-N 3.34Å
65F49.5Very low57.6Low185 Ų185137 Ų13781%0.81169%0.694SS**  trans-66.4107.4164.1-73.9-89.1000104.1L63 D67L63-F65 PolarHBondContact O-N 2.85Å; F65-D67 PolarHBondContact O-N 3.3Å; F65-D67 VanDerWaalsContact O-N 3.11Å
66D58.8Low56.3Low122 Ų122144 Ų14465%0.65272%0.724SS**  trans-61.9113.4164.3-70.4-42.8000105.5N64 F68N64-D66 VanDerWaalsContact C-N 3.34Å; N64-D66 PolarHBondContact O-N 3.34Å; D66-F68 HydrophobicContact CB-CD2 3.57Å; D66-F68 HydrophobicContact CB-CE2 3.29Å; D66-F68 HydrophobicContact CB-CZ 4.25Å; D66-F68 PolarHBondContact O-N 2.85Å
67D51.3Low55.3Low147 Ų147140.6 Ų140.679%0.78672%0.724SS**  trans-62.485.9168.3-66.9-46.5000107.9F65F65-D67 PolarHBondContact O-N 3.3Å; F65-D67 VanDerWaalsContact O-N 3.11Å
68F46.7Very low54.3Low161 Ų161145.9 Ų145.971%0.70674%0.743SS**  trans-93.9108.8151.9-61.4-84.9000103.3D66D66-F68 HydrophobicContact CB-CD2 3.57Å; D66-F68 HydrophobicContact CB-CE2 3.29Å; D66-F68 HydrophobicContact CB-CZ 4.25Å; D66-F68 PolarHBondContact O-N 2.85Å
69D49Very low53.5Low152 Ų152144.5 Ų144.581%0.81374%0.744SS**  cis-154103.245.7-62.3-68.3000109.4
70E45.8Very low53.1Low175 Ų175144.7 Ų144.782%0.81875%0.752SS**  trans-83113164.3-84.5-84.1139.300109.1
71E47.4Very low53.1Low164 Ų164147.4 Ų147.477%0.76675%0.754SS**  trans-58.8136.7160.3-76.4-136.7152.600110.3C73E71-C73 PolarHBondContact O-N 2.82Å
72P50.3Low52.5Low123 Ų123151 Ų15180%0.79977%0.765SS**SBendtrans-83.583.4-16433.5-35.3000111.7
73C50.6Low52.4Low116 Ų116150.2 Ų150.278%0.78476%0.757SS**SBendtrans-111.5-10.8176.7-87.70000117.3E71E71-C73 PolarHBondContact O-N 2.82Å
74C47.6Very low52.7Low116 Ų116152.9 Ų152.978%0.78476%0.763SS**  trans-154.197.6167.1-95.30000111.4Q76C74-Q76 PolarHBondContact O-N 3.32Å
75R50Low53Low242 Ų242151.6 Ų151.691%0.91375%0.749SS**  trans-6577.8161.4-71.2-173-163.8175.44.7109.2V77R75-V77 PolarHBondContact O-N 3.38Å
76Q48.7Very low53.8Low171 Ų171150.7 Ų150.780%0.79975%0.745SS**  trans-76.3104.5147.7-68.5-169-500105C74 M78C74-Q76 PolarHBondContact O-N 3.32Å; Q76-M78 PolarHBondContact O-N 2.81Å
77V51.6Low53.9Low119 Ų119148.5 Ų148.572%0.72174%0.737SS**  trans-51.6105.2171.7177.50000106.6R75 E79R75-V77 PolarHBondContact O-N 3.38Å; V77-E79 HydrophobicContact CG1-CG 4.21Å; V77-E79 PolarHBondContact O-N 3.39Å
78M52.6Low54.7Low181 Ų181148.3 Ų148.389%0.89274%0.736SS**  trans-67.893.7166.8-71.2-15684.800106.2Q76 P80Q76-M78 PolarHBondContact O-N 2.81Å; M78-P80 WeakPolarHBondContact O-CD 3.35Å
79E49.9Very low56.1Low138 Ų138141.8 Ų141.865%0.64571%0.711SS**  trans-67.1118.4165.2-76.2-169.415600107.5V77 K81V77-E79 HydrophobicContact CG1-CG 4.21Å; V77-E79 PolarHBondContact O-N 3.39Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.48Å
80P54.3Low57.5Low132 Ų132141.4 Ų141.486%0.85770%0.704SS**  trans-65.593.3174.325.4-31.5000109.1M78M78-P80 WeakPolarHBondContact O-CD 3.35Å
81K62.6Low59.1Low136 Ų136140 Ų14059%0.59170%0.695SS**  trans-81.9118.5170.8-81.7179.7-179.1173.40108.6E79 F83E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.48Å; K81-F83 VanDerWaalsContact C-N 3.31Å; K81-F83 HydrophobicContact CB-CD2 3.83Å; K81-F83 HydrophobicContact CB-CE1 4.43Å; K81-F83 HydrophobicContact CB-CE2 3.33Å; K81-F83 HydrophobicContact CB-CZ 3.68Å; K81-F83 HydrophobicContact CD-CE1 4.47Å; K81-F83 HydrophobicContact CD-CE2 4.24Å; K81-F83 HydrophobicContact CD-CZ 3.75Å; K81-F83 HydrophobicContact CG-CE2 4.39Å; K81-F83 HydrophobicContact CG-CZ 4.35Å; K81-F83 VanDerWaalsContact O-CD2 3.23Å; K81-F83 WeakPolarHBondContact O-CD2 3.35Å; K81-F83 PolarHBondContact O-N 3.33Å
82K55.5Low60.6Low182 Ų182135.5 Ų135.579%0.79167%0.674SS**  trans-68.391.7167.4-70.5-177.2-179.2178.30108.5F84K82-F84 HydrophobicContact CB-CE2 4.15Å; K82-F84 PolarHBondContact O-N 3.42Å
83F61.4Low61.7Low126 Ų126134.5 Ų134.555%0.55366%0.657SS**  trans-82.9109.4169.6-66.5-80.2000108.9K81 Y85K81-F83 VanDerWaalsContact C-N 3.31Å; K81-F83 HydrophobicContact CB-CD2 3.83Å; K81-F83 HydrophobicContact CB-CE1 4.43Å; K81-F83 HydrophobicContact CB-CE2 3.33Å; K81-F83 HydrophobicContact CB-CZ 3.68Å; K81-F83 HydrophobicContact CD-CE1 4.47Å; K81-F83 HydrophobicContact CD-CE2 4.24Å; K81-F83 HydrophobicContact CD-CZ 3.75Å; K81-F83 HydrophobicContact CG-CE2 4.39Å; K81-F83 HydrophobicContact CG-CZ 4.35Å; K81-F83 VanDerWaalsContact O-CD2 3.23Å; K81-F83 WeakPolarHBondContact O-CD2 3.35Å; K81-F83 PolarHBondContact O-N 3.33Å; F83-Y85 VanDerWaalsContact C-N 3.35Å; F83-Y85 HydrophobicContact CB-CD2 3.68Å; F83-Y85 HydrophobicContact CB-CE1 4.38Å; F83-Y85 HydrophobicContact CB-CE2 3.12Å; F83-Y85 HydrophobicContact CD2-CE2 4.47Å; F83-Y85 AromaticContact CG-CE2 3.92Å; F83-Y85 HydrophobicContact CG-CE2 3.92Å; F83-Y85 AromaticContact CG-CZ 3.93Å; F83-Y85 PolarHBondContact O-N 3.36Å; F83-Y85 VanDerWaalsContact O-N 3.07Å
84F61.3Low62.9Low187 Ų187134.8 Ų134.882%0.8265%0.651SS**  trans-77.889.8171.1-69.5-87.3000108.6K82K82-F84 HydrophobicContact CB-CE2 4.15Å; K82-F84 PolarHBondContact O-N 3.42Å
85Y67.2Low64Low108 Ų108131 Ų13142%0.42463%0.631SS.*  trans-84.6132.6171.7-66.7-71.7000110F83 F91 F92F83-Y85 VanDerWaalsContact C-N 3.35Å; F83-Y85 HydrophobicContact CB-CD2 3.68Å; F83-Y85 HydrophobicContact CB-CE1 4.38Å; F83-Y85 HydrophobicContact CB-CE2 3.12Å; F83-Y85 HydrophobicContact CD2-CE2 4.47Å; F83-Y85 AromaticContact CG-CE2 3.92Å; F83-Y85 HydrophobicContact CG-CE2 3.92Å; F83-Y85 AromaticContact CG-CZ 3.93Å; F83-Y85 PolarHBondContact O-N 3.36Å; F83-Y85 VanDerWaalsContact O-N 3.07Å; Y85-F91 HydrophobicContact CD1-CB 4.41Å; Y85-F91 HydrophobicContact CD2-CD1 4.31Å; Y85-F92 HydrophobicContact CG-CE2 4.36Å
86F67.5Low64.8Low166 Ų166121.3 Ų121.373%0.72860%0.597SS**  trans-65149.8169.7-69-80.4000109.9D88 S89 F92F86-D88 PolarHBondContact O-N 3.2Å; F86-D88 VanDerWaalsContact O-N 3.08Å; F86-S89 WeakPolarHBondContact O-CB 3.43Å; F86-S89 PolarHBondContact O-N 3.5Å; F86-S89 PolarHBondContact O-OG 2.98Å; F86-F92 VanDerWaalsContact O-CD2 3.31Å; F86-F92 WeakPolarHBondContact O-CD2 3.36Å
87P60.6Low65.8Low76 Ų76120.7 Ų120.749%0.49459%0.594SS.*THydrogen-bonded Turntrans-53.2-31.9178.6-26.234.2000113.5S89 N96P87-S89 VanDerWaalsContact C-N 3.33Å; P87-N96 PolarHBondContact O-ND2 3.03Å
88D67.7Low66.6Low143 Ų143122 Ų12277%0.76560%0.596SS**THydrogen-bonded Turntrans-90.47.9-180-54.5-35.1000113.6F86F86-D88 PolarHBondContact O-N 3.2Å; F86-D88 VanDerWaalsContact O-N 3.08Å
89S76.7Confident67Low24 Ų24117.7 Ų117.717%0.16858%0.583CS.*SBendtrans-63.9151.6179.571.60000111.6F86 P87 F91 F92 K93F86-S89 WeakPolarHBondContact O-CB 3.43Å; F86-S89 PolarHBondContact O-N 3.5Å; F86-S89 PolarHBondContact O-OG 2.98Å; P87-S89 VanDerWaalsContact C-N 3.33Å; S89-F91 PolarHBondContact O-N 2.82Å; S89-F92 PolarHBondContact O-N 3.06Å; S89-F92 WeakPolarHBondContact OG-CD2 3.49Å; S89-K93 PolarHBondContact O-N 3.26Å
90E78.4Confident67.4Low144 Ų144115.1 Ų115.167%0.67358%0.58SS**Hα-helixtrans-54.4-35.9178.3-171.5139.1-115.400113F92 K93E90-F92 PolarHBondContact O-N 3.38Å; E90-K93 HydrophobicContact CB-CD 4.34Å; E90-K93 HydrophobicContact CG-CD 4.14Å; E90-K93 WeakPolarHBondContact O-CB 3.42Å; E90-K93 PolarHBondContact O-N 2.93Å; E90-K93 IonicContact OE1-NZ 2.74Å; E90-K93 PolarHBondContact OE1-NZ 2.9Å
91F80.2Confident67Low145 Ų145112.3 Ų112.364%0.63656%0.557SS**Hα-helixtrans-54.8-34.3175.1-178.6-100.9000113.2Y85 S89Y85-F91 HydrophobicContact CD1-CB 4.41Å; Y85-F91 HydrophobicContact CD2-CD1 4.31Å; S89-F91 PolarHBondContact O-N 2.82Å
92F77.3Confident66.4Low71 Ų71116.4 Ų116.431%0.31157%0.569SS.*Hα-helixtrans-97.7-1.8179.5-58.2-59.8000113.9Y85 F86 S89 E90 D94 G95 N96Y85-F92 HydrophobicContact CG-CE2 4.36Å; F86-F92 VanDerWaalsContact O-CD2 3.31Å; F86-F92 WeakPolarHBondContact O-CD2 3.36Å; S89-F92 PolarHBondContact O-N 3.06Å; S89-F92 WeakPolarHBondContact OG-CD2 3.49Å; E90-F92 PolarHBondContact O-N 3.38Å; F92-D94 PolarHBondContact O-N 3.42Å; F92-G95 PolarHBondContact O-N 2.8Å; F92-N96 WeakPolarHBondContact O-CB 3.47Å; F92-N96 PolarHBondContact O-N 3.03Å; F92-N96 PolarHBondContact O-ND2 2.89Å
93K73.4Confident65.9Low101 Ų101111.4 Ų111.444%0.43956%0.557SS.*Hα-helixtrans-56.4-51.4-174-82.2178.4-171.7172.90112.5S89 E90 G95 N96 E97S89-K93 PolarHBondContact O-N 3.26Å; E90-K93 HydrophobicContact CB-CD 4.34Å; E90-K93 HydrophobicContact CG-CD 4.14Å; E90-K93 WeakPolarHBondContact O-CB 3.42Å; E90-K93 PolarHBondContact O-N 2.93Å; E90-K93 IonicContact OE1-NZ 2.74Å; E90-K93 PolarHBondContact OE1-NZ 2.9Å; K93-G95 PolarHBondContact O-N 2.98Å; K93-N96 PolarHBondContact O-N 2.83Å; K93-E97 WeakPolarHBondContact O-CB 3.33Å; K93-E97 PolarHBondContact O-N 3Å
94D75.9Confident65.1Low123 Ų123109.1 Ų109.166%0.65855%0.553SS**Hα-helixtrans-61.5-44.8-178.2-64.1-1.8000111.4F92 E97 L98F92-D94 PolarHBondContact O-N 3.42Å; D94-E97 PolarHBondContact O-N 3.3Å; D94-L98 WeakPolarHBondContact O-CB 3.2Å; D94-L98 WeakPolarHBondContact O-CD1 3.39Å; D94-L98 VanDerWaalsContact O-CG 3.27Å; D94-L98 WeakPolarHBondContact O-CG 3.08Å; D94-L98 PolarHBondContact O-N 2.78Å
95G70.3Confident64.3Low36 Ų36106.4 Ų106.437%0.37155%0.546SS..Hα-helixtrans-66.3-38.6177.300000112.9F92 K93 C99F92-G95 PolarHBondContact O-N 2.8Å; K93-G95 PolarHBondContact O-N 2.98Å; G95-C99 VanDerWaalsContact O-CB 3.22Å; G95-C99 WeakPolarHBondContact O-CB 3.34Å; G95-C99 PolarHBondContact O-N 3.25Å
96N67.7Low63.1Low38 Ų38107.6 Ų107.620%0.20357%0.569CS.*Hα-helixtrans-70.1-36.1178.3-72.6-16.5000112.3P87 F92 K93 C100P87-N96 PolarHBondContact O-ND2 3.03Å; F92-N96 WeakPolarHBondContact O-CB 3.47Å; F92-N96 PolarHBondContact O-N 3.03Å; F92-N96 PolarHBondContact O-ND2 2.89Å; K93-N96 PolarHBondContact O-N 2.83Å; N96-C100 WeakPolarHBondContact O-CA 3.31Å; N96-C100 PolarHBondContact O-N 3.16Å
97E69.6Low62Low159 Ų159103.8 Ų103.874%0.74357%0.568SS**Hα-helixtrans-68.4-46.4175.2-170.6170.3-175.300110.8K93 D94K93-E97 WeakPolarHBondContact O-CB 3.33Å; K93-E97 PolarHBondContact O-N 3Å; D94-E97 PolarHBondContact O-N 3.3Å
98L68.9Low60.9Low145 Ų145107.7 Ų107.776%0.75958%0.577SS**Hα-helixtrans-62.2-45.7175.2-75.1165.7000112.5D94D94-L98 WeakPolarHBondContact O-CB 3.2Å; D94-L98 WeakPolarHBondContact O-CD1 3.39Å; D94-L98 VanDerWaalsContact O-CG 3.27Å; D94-L98 WeakPolarHBondContact O-CG 3.08Å; D94-L98 PolarHBondContact O-N 2.78Å
99C60Low59.8Low91 Ų91111.8 Ų111.862%0.61558%0.582SS**Hα-helixtrans-94.4-0.5-171.8-69.70000114.8G95 L101G95-C99 VanDerWaalsContact O-CB 3.22Å; G95-C99 WeakPolarHBondContact O-CB 3.34Å; G95-C99 PolarHBondContact O-N 3.25Å; C99-L101 VanDerWaalsContact C-N 3.31Å; C99-L101 HydrophobicContact CB-CD1 4.3Å; C99-L101 PolarHBondContact O-N 2.98Å
100C58Low58Low85 Ų85119 Ų11957%0.57461%0.613SS**THydrogen-bonded Turntrans44.854.6-179.5-71.20000111.9N96 R102N96-C100 WeakPolarHBondContact O-CA 3.31Å; N96-C100 PolarHBondContact O-N 3.16Å; C100-R102 PolarHBondContact O-N 3.15Å
101L47.1Very low56.3Low73 Ų73118.6 Ų118.638%0.38261%0.614SS.*  trans-63.724.6-162.8-146.7103.6000116.9C99 S103C99-L101 VanDerWaalsContact C-N 3.31Å; C99-L101 HydrophobicContact CB-CD1 4.3Å; C99-L101 PolarHBondContact O-N 2.98Å; L101-S103 PolarHBondContact O-N 2.96Å
102R48.8Very low54.3Low222 Ų222119.2 Ų119.284%0.83862%0.624SS**THydrogen-bonded Turntrans-71.3-8.6176.9-153177.9-66.2-91.4-0.1113.3C100C100-R102 PolarHBondContact O-N 3.15Å
103S46.7Very low52.5Low77 Ų77121 Ų12154%0.53864%0.64SS.*THydrogen-bonded Turntrans-96.5-8.9-177.266.60000116.1L101L101-S103 PolarHBondContact O-N 2.96Å
104V43.1Very low50.8Low77 Ų77123.1 Ų123.147%0.46766%0.656SS.*G310 helixtrans-94-6.5176.6-171.20000112.5C106 A107V104-C106 PolarHBondContact O-N 2.79Å; V104-A107 PolarHBondContact O-N 3.07Å
105L46.1Very low49Very low131 Ų131124.7 Ų124.769%0.68667%0.665SS**G310 helixtrans-63.6-8.4172.1-78.1163.3000114A107L105-A107 VanDerWaalsContact C-N 3.33Å
106C40.5Very low47.7Very low132 Ų132129.8 Ų129.889%0.89268%0.683SS**G310 helixtrans-79.8-5.6170.2-73.60000114.7V104V104-C106 PolarHBondContact O-N 2.79Å
107A44.7Very low46.5Very low86 Ų86134.4 Ų134.471%0.71172%0.715SS**SBendtrans-109.1-2.2-176.200000115.6V104 L105V104-A107 PolarHBondContact O-N 3.07Å; L105-A107 VanDerWaalsContact C-N 3.33Å
108K38.2Very low45Very low158 Ų158130.3 Ų130.369%0.68770%0.703SS**  trans-142.364.3-175.2-153.6178.7-174.4-170.60113.5L111K108-L111 VanDerWaalsContact CE-CD1 3.49Å
109R43.3Very low44.1Very low230 Ų230128.8 Ų128.887%0.86871%0.711SS**SBendtrans-94.7-15.4165.5-172.7166.7-176-140.3-1.8114.4
110E40.2Very low43.6Very low176 Ų176132 Ų13282%0.82272%0.715SS**  trans-133.374.8-173-68.1178.1-173.100111.8
111L41.3Very low43.6Very low134 Ų134132 Ų13270%0.70272%0.716SS**  trans-124.563.9158.8-102.9167.2000107.9K108K108-L111 VanDerWaalsContact CE-CD1 3.49Å
112L39.9Very low44.5Very low158 Ų158137.3 Ų137.383%0.82773%0.73SS**  trans-139.5104.1162.3-77179.1000108.8
113V39.2Very low45.9Very low109 Ų109132.7 Ų132.766%0.66172%0.718SS**  trans70.4107.3154.4-148.60000114
114D38Very low47.4Very low145 Ų145133.6 Ų133.678%0.77571%0.713SS**  -146.8135.283.7-80-37.7000114.7L116D114-L116 PolarHBondContact O-N 3.11Å; D114-L116 VanDerWaalsContact O-N 3.12Å
115N37.8Very low49.3Very low156 Ų156131.9 Ų131.983%0.83471%0.711SS**  trans-66.498.9161.6-69.4-75.6000109
116L42.2Very low51Low144 Ų144126.3 Ų126.375%0.75468%0.683SS**  trans-127.8111.6161.2-124.984.8000109.5D114 C118D114-L116 PolarHBondContact O-N 3.11Å; D114-L116 VanDerWaalsContact O-N 3.12Å; L116-C118 PolarHBondContact O-N 2.95Å
117P42.4Very low52.8Low134 Ų134128.4 Ų128.487%0.8768%0.68SS**  trans-77.493.6171.830.8-28.1000107.6
118C39.5Very low54.3Low74 Ų74127.4 Ų127.450%0.566%0.66SS.*  trans-110.6102.8160.3-156.80000107.5L116 K120L116-C118 PolarHBondContact O-N 2.95Å; C118-K120 PolarHBondContact O-N 3.25Å
119A49.4Very low55.9Low113 Ų113124.3 Ų124.393%0.93466%0.664SS**  trans-68.755.2171.200000111.2
120K49.6Very low57.4Low159 Ų159117.3 Ų117.369%0.69166%0.664SS**SBendtrans-105.7120.3166.6-69.4-179.7-176.1179.60105.6C118 R122C118-K120 PolarHBondContact O-N 3.25Å; K120-R122 PolarHBondContact O-N 3.21Å
121S57Low59.2Low84 Ų84110.3 Ų110.359%0.58763%0.633SS**  trans-33.3108.316634.80000108.9Q123S121-Q123 VanDerWaalsContact C-N 3.26Å; S121-Q123 PolarHBondContact O-N 2.86Å
122R67.3Low61.3Low184 Ų184109.2 Ų109.269%0.69464%0.637SS**  trans-70.996.7174.9-68.3-176.6179.6-172.7-1104.8K120 F124K120-R122 PolarHBondContact O-N 3.21Å; R122-F124 HydrophobicContact CB-CD2 4.32Å; R122-F124 HydrophobicContact CB-CE1 3.74Å; R122-F124 HydrophobicContact CB-CE2 3.52Å; R122-F124 HydrophobicContact CB-CZ 3.19Å; R122-F124 HydrophobicContact CG-CZ 4.11Å; R122-F124 WeakPolarHBondContact O-CD2 3.49Å; R122-F124 WeakPolarHBondContact O-CE2 3.42Å
123Q77Confident63.5Low125 Ų125107 Ų10758%0.58462%0.622SS**  trans-70.6128.3165-86.2176.310.400107.3S121 V134 I135 V136S121-Q123 VanDerWaalsContact C-N 3.26Å; S121-Q123 PolarHBondContact O-N 2.86Å; Q123-V134 HydrophobicContact CB-CG1 3.68Å; Q123-V134 HydrophobicContact CG-CG1 4.04Å; Q123-I135 CarbonylContact C-O 3.6Å; Q123-I135 WeakPolarHBondContact CA-O 3.45Å; Q123-V136 HydrophobicContact CG-CB 4.37Å; Q123-V136 HydrophobicContact CG-CG2 3.59Å
124F78Confident65.8Low96 Ų96105.9 Ų105.942%0.42162%0.616SS.*EExtended strand (participates in β ladder)trans-114.5125.8178.4-53.7-82.9000108.2R122 I135R122-F124 HydrophobicContact CB-CD2 4.32Å; R122-F124 HydrophobicContact CB-CE1 3.74Å; R122-F124 HydrophobicContact CB-CE2 3.52Å; R122-F124 HydrophobicContact CB-CZ 3.19Å; R122-F124 HydrophobicContact CG-CZ 4.11Å; R122-F124 WeakPolarHBondContact O-CD2 3.49Å; R122-F124 WeakPolarHBondContact O-CE2 3.42Å; F124-I135 PolarHBondContact N-O 3.33Å; F124-I135 PolarHBondContact O-N 3.43Å
125G82.9Confident68.2Low42 Ų4299.8 Ų99.843%0.43358%0.583SS.*EExtended strand (participates in β ladder)trans-71.5144.7170.400000110.4E127 E133G125-E127 PolarHBondContact O-N 3.4Å; G125-E133 CarbonylContact C-O 3.6Å
126C82.8Confident70.5Confident13 Ų1395.1 Ų95.19%0.08856%0.56CS.*  trans-60.9123.7168.8-174.40000110.5H128 C131 E133 H144 H149C126-H128 PolarHBondContact O-N 3.11Å; C126-H128 PolarHBondContact SG-N 3.04Å; C126-C131 HydrophobicContact CB-CB 3.9Å; C126-C131 VanDerWaalsContact CB-SG 3.58Å; C126-E133 HydrophobicContact CB-CB 4.43Å; C126-E133 PolarHBondContact N-O 2.79Å; C126-H144 PolarHBondContact SG-NE2 2.86Å; C126-H149 VanDerWaalsContact SG-CD2 3.56Å; C126-H149 PolarHBondContact SG-NE2 3.09Å
127E79.2Confident72.5Confident177 Ų17792.2 Ų92.283%0.82755%0.546SS*.  trans-80.40.9-179.9-60.8-177.2166.300113.2G125 A129G125-E127 PolarHBondContact O-N 3.4Å; E127-A129 PolarHBondContact O-N 2.86Å
128H74.5Confident74.3Confident64 Ų6493.8 Ų93.830%0.29654%0.541SS..SBendtrans-73.1126.5176.4-162.890.3000110.6C126 G130 C131 H149 K152C126-H128 PolarHBondContact O-N 3.11Å; C126-H128 PolarHBondContact SG-N 3.04Å; H128-G130 PolarHBondContact O-N 3.48Å; H128-G130 VanDerWaalsContact O-N 3.17Å; H128-C131 HydrophobicContact CB-CB 4.12Å; H128-C131 VanDerWaalsContact O-CB 3.29Å; H128-C131 WeakPolarHBondContact O-CB 3.46Å; H128-C131 PolarHBondContact O-N 2.91Å; H128-H149 AromaticContact CD2-CE1 3.68Å; H128-H149 AromaticContact CD2-ND1 3.3Å; H128-H149 PolarHBondContact CD2-ND1 3.48Å; H128-H149 VanDerWaalsContact CD2-ND1 3.3Å; H128-H149 AromaticContact CE1-ND1 3.95Å; H128-H149 AromaticContact CG-CE1 3.68Å; H128-H149 AromaticContact CG-CG 3.62Å; H128-H149 AromaticContact CG-ND1 3.32Å; H128-H149 VanDerWaalsContact CG-ND1 3.32Å; H128-H149 AromaticContact ND1-CG 3.74Å; H128-H149 AromaticContact ND1-ND1 3.75Å; H128-H149 AromaticContact NE2-ND1 3.75Å; H128-K152 PolarHBondContact NE2-NZ 3.15Å; H128-K152 VanDerWaalsContact NE2-NZ 3.17Å
129A72.3Confident76.3Confident93 Ų9393.8 Ų93.877%0.76954%0.542SS*.THydrogen-bonded Turntrans-53.1122.3-179.300000112.1E127 C131E127-A129 PolarHBondContact O-N 2.86Å; A129-C131 VanDerWaalsContact C-N 3.35Å
130G74Confident78Confident84 Ų8492.1 Ų92.187%0.86652%0.518SS*.THydrogen-bonded Turntrans85.7-3-178.300000115.2H128H128-G130 PolarHBondContact O-N 3.48Å; H128-G130 VanDerWaalsContact O-N 3.17Å
131C79.5Confident79.5Confident28 Ų2887.5 Ų87.519%0.18950%0.496CS..  trans-87.1132.8170-165.30000110C126 H128 A129 H144 H149C126-C131 HydrophobicContact CB-CB 3.9Å; C126-C131 VanDerWaalsContact CB-SG 3.58Å; H128-C131 HydrophobicContact CB-CB 4.12Å; H128-C131 VanDerWaalsContact O-CB 3.29Å; H128-C131 WeakPolarHBondContact O-CB 3.46Å; H128-C131 PolarHBondContact O-N 2.91Å; A129-C131 VanDerWaalsContact C-N 3.35Å; C131-H144 PolarHBondContact SG-CE1 2.85Å; C131-H144 PolarHBondContact SG-NE2 2.91Å; C131-H144 VanDerWaalsContact SG-NE2 3.4Å; C131-H149 PolarHBondContact SG-NE2 3.28Å
132S85.2Confident80.7Confident112 Ų11289.4 Ų89.478%0.78350%0.496SS*.  trans-114.915.3177.6-57.40000112.6
133E86.4Confident81.4Confident110 Ų11083.3 Ų83.351%0.51449%0.485SS..  trans-70.4134.4178.6-70.4-60.2132.900110.7G125 C126 H144G125-E133 CarbonylContact C-O 3.6Å; C126-E133 HydrophobicContact CB-CB 4.43Å; C126-E133 PolarHBondContact N-O 2.79Å; E133-H144 VanDerWaalsContact CG-CE1 3.43Å; E133-H144 WeakPolarHBondContact CG-CE1 3.41Å
134V87.8Confident81.8Confident87 Ų8778.1 Ų78.153%0.52746%0.46SS..EExtended strand (participates in β ladder)trans-117.6120.7178.51790000108.1Q123Q123-V134 HydrophobicContact CB-CG1 3.68Å; Q123-V134 HydrophobicContact CG-CG1 4.04Å
135I87.9Confident81.9Confident17 Ų1775 Ų759%0.08745%0.45CS..EExtended strand (participates in β ladder)trans-123134.9-166.6-53.4173.8000109.7Q123 F124 N137 D140 Y141 H144Q123-I135 CarbonylContact C-O 3.6Å; Q123-I135 WeakPolarHBondContact CA-O 3.45Å; F124-I135 PolarHBondContact N-O 3.33Å; F124-I135 PolarHBondContact O-N 3.43Å; I135-N137 WeakPolarHBondContact CG2-O 3.32Å; I135-D140 HydrophobicContact CG2-CB 3.42Å; I135-D140 VanDerWaalsContact CG2-CB 3.42Å; I135-Y141 HydrophobicContact CB-CD2 4.38Å; I135-Y141 HydrophobicContact CD1-CD2 3.99Å; I135-H144 HydrophobicContact CD1-CB 3.31Å
136V85.1Confident81.7Confident58 Ų5876.6 Ų76.635%0.35245%0.448SS..SBendtrans-86.8-41.4-172.8-179.70000112.1Q123Q123-V136 HydrophobicContact CG-CB 4.37Å; Q123-V136 HydrophobicContact CG-CG2 3.59Å
137N84.7Confident81.3Confident83 Ų8378.9 Ų78.944%0.44446%0.464SS..SBendtrans-106146.5-174.7-54.8-52.5000111.2I135 S139 D140 Y141I135-N137 WeakPolarHBondContact CG2-O 3.32Å; N137-S139 VanDerWaalsContact C-N 3.33Å; N137-S139 PolarHBondContact O-N 3.16Å; N137-D140 HydrophobicContact CB-CB 4.28Å; N137-D140 WeakPolarHBondContact CB-OD2 3.26Å; N137-D140 PolarHBondContact ND2-OD2 3.43Å; N137-D140 PolarHBondContact O-N 2.94Å; N137-Y141 PolarHBondContact O-N 3.25Å
138E80.8Confident81.1Confident166 Ų16673.6 Ų73.678%0.77644%0.442SS*.Hα-helixtrans-62-39.7177.1-173.6173.2-171.400112.3D140 Y141 Q142E138-D140 VanDerWaalsContact C-N 3.32Å; E138-D140 PolarHBondContact O-N 3.46Å; E138-Y141 WeakPolarHBondContact O-CB 3.31Å; E138-Y141 PolarHBondContact O-N 3.14Å; E138-Q142 PolarHBondContact O-N 3.34Å
139S81.8Confident81.3Confident75 Ų7572.1 Ų72.152%0.52444%0.435SS..Hα-helixtrans-59.5-42.3175.555.80000112.4N137 Y141 Q142 A143N137-S139 VanDerWaalsContact C-N 3.33Å; N137-S139 PolarHBondContact O-N 3.16Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; S139-Q142 PolarHBondContact O-N 3.37Å; S139-A143 WeakPolarHBondContact O-CB 3.44Å; S139-A143 PolarHBondContact O-N 3.37Å
140D83.8Confident81.7Confident78 Ų7869.7 Ų69.742%0.41742%0.415SS..Hα-helixtrans-71.7-33.9-179-60.4-18.8000110.2I135 N137 E138 A143 H144I135-D140 HydrophobicContact CG2-CB 3.42Å; I135-D140 VanDerWaalsContact CG2-CB 3.42Å; N137-D140 HydrophobicContact CB-CB 4.28Å; N137-D140 WeakPolarHBondContact CB-OD2 3.26Å; N137-D140 PolarHBondContact ND2-OD2 3.43Å; N137-D140 PolarHBondContact O-N 2.94Å; E138-D140 VanDerWaalsContact C-N 3.32Å; E138-D140 PolarHBondContact O-N 3.46Å; D140-A143 PolarHBondContact O-N 3.37Å; D140-H144 VanDerWaalsContact O-CB 3.25Å; D140-H144 WeakPolarHBondContact O-CB 2.96Å; D140-H144 PolarHBondContact O-N 2.82Å
141Y82.3Confident82.1Confident61 Ų6167.8 Ų67.824%0.23938%0.383CS..Hα-helixtrans-65.3-44.4175.9-176.9-89.2000111.1I135 N137 E138 S139 H144 C145I135-Y141 HydrophobicContact CB-CD2 4.38Å; I135-Y141 HydrophobicContact CD1-CD2 3.99Å; N137-Y141 PolarHBondContact O-N 3.25Å; E138-Y141 WeakPolarHBondContact O-CB 3.31Å; E138-Y141 PolarHBondContact O-N 3.14Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; Y141-H144 PolarHBondContact O-N 3.22Å; Y141-C145 WeakPolarHBondContact CE1-SG 3.26Å; Y141-C145 WeakPolarHBondContact O-CB 3.45Å; Y141-C145 PolarHBondContact O-N 3.16Å; Y141-C145 PolarHBondContact O-SG 3.45Å
142Q82.7Confident82.3Confident125 Ų12569.8 Ų69.858%0.58439%0.388SS*.Hα-helixtrans-62.8-46.7175.1-171.8179.83.800111.1E138 S139 H144 C145 L146E138-Q142 PolarHBondContact O-N 3.34Å; S139-Q142 PolarHBondContact O-N 3.37Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.18Å; Q142-C145 PolarHBondContact O-N 2.96Å; Q142-L146 HydrophobicContact CG-CD1 4Å; Q142-L146 HydrophobicContact CG-CG 4.45Å; Q142-L146 WeakPolarHBondContact O-CB 3.41Å; Q142-L146 VanDerWaalsContact O-CG 3.28Å; Q142-L146 WeakPolarHBondContact O-CG 3.24Å; Q142-L146 PolarHBondContact O-N 3.21Å
143A81.8Confident82.3Confident55 Ų5564.5 Ų64.546%0.45535%0.351SS..Hα-helixtrans-61-41.6177.400000112.3S139 D140 L146 S147S139-A143 WeakPolarHBondContact O-CB 3.44Å; S139-A143 PolarHBondContact O-N 3.37Å; D140-A143 PolarHBondContact O-N 3.37Å; A143-L146 PolarHBondContact O-N 2.93Å; A143-S147 WeakPolarHBondContact O-CB 3.5Å; A143-S147 PolarHBondContact O-N 2.87Å; A143-S147 PolarHBondContact O-OG 3.22Å
144H83.6Confident82.2Confident17 Ų1765.4 Ų65.48%0.07936%0.357CS..Hα-helixtrans-61.3-47.6173.5166.585000111.8C126 C131 E133 I135 D140 Y141 Q142 L146 S147 N148 H149C126-H144 PolarHBondContact SG-NE2 2.86Å; C131-H144 PolarHBondContact SG-CE1 2.85Å; C131-H144 PolarHBondContact SG-NE2 2.91Å; C131-H144 VanDerWaalsContact SG-NE2 3.4Å; E133-H144 VanDerWaalsContact CG-CE1 3.43Å; E133-H144 WeakPolarHBondContact CG-CE1 3.41Å; I135-H144 HydrophobicContact CD1-CB 3.31Å; D140-H144 VanDerWaalsContact O-CB 3.25Å; D140-H144 WeakPolarHBondContact O-CB 2.96Å; D140-H144 PolarHBondContact O-N 2.82Å; Y141-H144 PolarHBondContact O-N 3.22Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.18Å; H144-L146 VanDerWaalsContact C-N 3.34Å; H144-L146 PolarHBondContact O-N 3.22Å; H144-S147 PolarHBondContact O-N 2.89Å; H144-S147 PolarHBondContact O-OG 3.25Å; H144-N148 PolarHBondContact CE1-ND2 3.33Å; H144-N148 PolarHBondContact ND1-ND2 3.14Å; H144-N148 VanDerWaalsContact O-CB 3.32Å; H144-N148 WeakPolarHBondContact O-CB 3.42Å; H144-N148 PolarHBondContact O-N 3.49Å; H144-N148 PolarHBondContact O-ND2 3.43Å; H144-H149 AromaticContact CD2-CD2 3.88Å; H144-H149 AromaticContact CD2-NE2 3.81Å; H144-H149 AromaticContact CE1-NE2 3.65Å; H144-H149 AromaticContact NE2-CD2 3.43Å; H144-H149 PolarHBondContact NE2-CD2 2.84Å; H144-H149 AromaticContact NE2-NE2 2.9Å; H144-H149 PolarHBondContact NE2-NE2 3.24Å
145C80.8Confident81.9Confident30 Ų3065.3 Ų65.320%0.20336%0.36CS..Iπ-helixtrans-62.9-42.2179.4-70.20000111.4Y141 Q142 H149 A150Y141-C145 WeakPolarHBondContact CE1-SG 3.26Å; Y141-C145 WeakPolarHBondContact O-CB 3.45Å; Y141-C145 PolarHBondContact O-N 3.16Å; Y141-C145 PolarHBondContact O-SG 3.45Å; Q142-C145 PolarHBondContact O-N 2.96Å; C145-H149 CarbonylContact O-C 3.5Å; C145-H149 WeakPolarHBondContact O-CA 3.47Å; C145-H149 WeakPolarHBondContact O-CB 3.37Å; C145-H149 PolarHBondContact O-N 3.4Å; C145-A150 WeakPolarHBondContact O-CB 3.49Å; C145-A150 PolarHBondContact O-N 3.49Å
146L78.3Confident81.8Confident76 Ų7666.6 Ų66.640%0.39837%0.37SS..Iπ-helixtrans-64.6-42.5177.4-71.2172.3000112.6Q142 A143 H144 A150Q142-L146 HydrophobicContact CG-CD1 4Å; Q142-L146 HydrophobicContact CG-CG 4.45Å; Q142-L146 WeakPolarHBondContact O-CB 3.41Å; Q142-L146 VanDerWaalsContact O-CG 3.28Å; Q142-L146 WeakPolarHBondContact O-CG 3.24Å; Q142-L146 PolarHBondContact O-N 3.21Å; A143-L146 PolarHBondContact O-N 2.93Å; H144-L146 VanDerWaalsContact C-N 3.34Å; H144-L146 PolarHBondContact O-N 3.22Å; L146-A150 HydrophobicContact CD2-CB 4.09Å
147S74.3Confident81.8Confident60 Ų6070 Ų7042%0.4238%0.38SS..Iπ-helixtrans-79.9-30.3-176.355.30000114.4A143 H144A143-S147 WeakPolarHBondContact O-CB 3.5Å; A143-S147 PolarHBondContact O-N 2.87Å; A143-S147 PolarHBondContact O-OG 3.22Å; H144-S147 PolarHBondContact O-N 2.89Å; H144-S147 PolarHBondContact O-OG 3.25Å
148N76.1Confident81.7Confident67 Ų6771.6 Ų71.636%0.35838%0.38SS..Iπ-helixtrans-111.7-28.3-171.8-61.2-50.3000114.3H144H144-N148 PolarHBondContact CE1-ND2 3.33Å; H144-N148 PolarHBondContact ND1-ND2 3.14Å; H144-N148 VanDerWaalsContact O-CB 3.32Å; H144-N148 WeakPolarHBondContact O-CB 3.42Å; H144-N148 PolarHBondContact O-N 3.49Å; H144-N148 PolarHBondContact O-ND2 3.43Å
149H78.2Confident81.7Confident32 Ų3265.2 Ų65.215%0.14836%0.356CS..Iπ-helixtrans-121.1-31.6-171-57.2-51.3000114.4C126 H128 C131 H144 C145 F151 K152C126-H149 VanDerWaalsContact SG-CD2 3.56Å; C126-H149 PolarHBondContact SG-NE2 3.09Å; H128-H149 AromaticContact CD2-CE1 3.68Å; H128-H149 AromaticContact CD2-ND1 3.3Å; H128-H149 PolarHBondContact CD2-ND1 3.48Å; H128-H149 VanDerWaalsContact CD2-ND1 3.3Å; H128-H149 AromaticContact CE1-ND1 3.95Å; H128-H149 AromaticContact CG-CE1 3.68Å; H128-H149 AromaticContact CG-CG 3.62Å; H128-H149 AromaticContact CG-ND1 3.32Å; H128-H149 VanDerWaalsContact CG-ND1 3.32Å; H128-H149 AromaticContact ND1-CG 3.74Å; H128-H149 AromaticContact ND1-ND1 3.75Å; H128-H149 AromaticContact NE2-ND1 3.75Å; C131-H149 PolarHBondContact SG-NE2 3.28Å; H144-H149 AromaticContact CD2-CD2 3.88Å; H144-H149 AromaticContact CD2-NE2 3.81Å; H144-H149 AromaticContact CE1-NE2 3.65Å; H144-H149 AromaticContact NE2-CD2 3.43Å; H144-H149 PolarHBondContact NE2-CD2 2.84Å; H144-H149 AromaticContact NE2-NE2 2.9Å; H144-H149 PolarHBondContact NE2-NE2 3.24Å; C145-H149 CarbonylContact O-C 3.5Å; C145-H149 WeakPolarHBondContact O-CA 3.47Å; C145-H149 WeakPolarHBondContact O-CB 3.37Å; C145-H149 PolarHBondContact O-N 3.4Å; H149-F151 PolarHBondContact O-N 3.41Å; H149-K152 WeakPolarHBondContact O-CB 3.44Å
150A80.6Confident81.5Confident42 Ų4262 Ų6235%0.34733%0.332SS..Iπ-helixtrans-63.6-41.8-16800000112.7C145 L146C145-A150 WeakPolarHBondContact O-CB 3.49Å; C145-A150 PolarHBondContact O-N 3.49Å; L146-A150 HydrophobicContact CD2-CB 4.09Å
151F82.7Confident81.2Confident44 Ų4462.8 Ų62.819%0.19334%0.342CS..THydrogen-bonded Turntrans-108.555.5-178.4-44.4-60.9000111.7H149 Y160 A163 L166H149-F151 PolarHBondContact O-N 3.41Å; F151-Y160 WeakPolarHBondContact CB-O 3.34Å; F151-Y160 WeakPolarHBondContact O-CD2 3.4Å; F151-Y160 PolarHBondContact O-N 2.97Å; F151-A163 VanDerWaalsContact CD1-CA 3.5Å; F151-A163 HydrophobicContact CD1-CB 3.77Å; F151-A163 HydrophobicContact CE1-CB 3.57Å; F151-A163 HydrophobicContact CZ-CB 4.28Å; F151-L166 HydrophobicContact CB-CB 4.17Å; F151-L166 HydrophobicContact CB-CD2 4.09Å
152K84.5Confident81.2Confident71 Ų7161.7 Ų61.731%0.30934%0.343SS..BIsolated β-bridgetrans-96.9126.6177.4-171.9173.3-178.3173.60111.9H128 H149 M154 K157 R158H128-K152 PolarHBondContact NE2-NZ 3.15Å; H128-K152 VanDerWaalsContact NE2-NZ 3.17Å; H149-K152 WeakPolarHBondContact O-CB 3.44Å; K152-M154 PolarHBondContact O-N 3.16Å; K152-K157 WeakPolarHBondContact CE-O 3.32Å; K152-R158 CarbonylContact C-O 3.55Å; K152-R158 WeakPolarHBondContact CA-O 3.42Å
153C84.6Confident81.3Confident1 Ų157.8 Ų57.81%0.00733%0.332CS..  trans-67.7123.4173.2179.80000110.4S155 C156 K157 R158 Y160 L166 H169 H174C153-S155 VanDerWaalsContact C-N 3.31Å; C153-S155 PolarHBondContact O-N 3.4Å; C153-C156 VanDerWaalsContact CB-SG 3.53Å; C153-K157 WeakPolarHBondContact O-CA 3.3Å; C153-K157 PolarHBondContact O-N 2.86Å; C153-R158 PolarHBondContact N-O 2.82Å; C153-Y160 HydrophobicContact CB-CE2 4.18Å; C153-L166 HydrophobicContact CB-CD1 3.7Å; C153-H169 PolarHBondContact SG-NE2 3.36Å; C153-H169 VanDerWaalsContact SG-NE2 3.37Å; C153-H174 PolarHBondContact SG-CD2 2.93Å
154M83.1Confident81.5Confident129 Ų12957.1 Ų57.164%0.63532%0.319SS*.THydrogen-bonded Turntrans-69.7-30.5-178.9-173.5166.561.400112.8K152 K157K152-M154 PolarHBondContact O-N 3.16Å; M154-K157 WeakPolarHBondContact O-CE 3.44Å; M154-K157 PolarHBondContact O-NZ 3.42Å
155S83.2Confident81.6Confident84 Ų8457.3 Ų57.359%0.58732%0.321SS*.THydrogen-bonded Turntrans-75.1-44.7-177.1-55.20000112.5C153C153-S155 VanDerWaalsContact C-N 3.31Å; C153-S155 PolarHBondContact O-N 3.4Å
156C86Confident81.8Confident45 Ų4556.9 Ų56.930%0.30432%0.316SS..THydrogen-bonded Turntrans-114.2-2.9-175.672.90000114.8C153 R158 H169C153-C156 VanDerWaalsContact CB-SG 3.53Å; C156-R158 PolarHBondContact O-N 3.45Å; C156-R158 VanDerWaalsContact O-N 3.14Å; C156-H169 PolarHBondContact SG-NE2 3.46Å
157K84Confident82.2Confident129 Ų12957.4 Ų57.456%0.56132%0.319SS*.  trans63.87.2-179.4-50.8-53-173.6-163.80116.3K152 C153 M154K152-K157 WeakPolarHBondContact CE-O 3.32Å; C153-K157 WeakPolarHBondContact O-CA 3.3Å; C153-K157 PolarHBondContact O-N 2.86Å; M154-K157 WeakPolarHBondContact O-CE 3.44Å; M154-K157 PolarHBondContact O-NZ 3.42Å
158R83.1Confident82.9Confident117 Ų11754.8 Ų54.844%0.44230%0.3SS..  trans-67.7137.8173-67.4-179.4-175.8-178.81.5111.6K152 C153 C156 Y160K152-R158 CarbonylContact C-O 3.55Å; K152-R158 WeakPolarHBondContact CA-O 3.42Å; C153-R158 PolarHBondContact N-O 2.82Å; C156-R158 PolarHBondContact O-N 3.45Å; C156-R158 VanDerWaalsContact O-N 3.14Å; R158-Y160 HydrophobicContact CB-CE2 3.76Å; R158-Y160 WeakPolarHBondContact O-CE2 3.28Å
159A79.4Confident83.5Confident31 Ų3151.9 Ų51.926%0.25629%0.285SS..BIsolated β-bridgetrans-100.5141.3175.600000111.2
160Y79.3Confident83.9Confident8 Ų853.4 Ų53.43%0.03129%0.294CS..  trans-119.2148.3-176.1-67-91.4000111F151 C153 R158 S162 L165 L166 H169F151-Y160 WeakPolarHBondContact CB-O 3.34Å; F151-Y160 WeakPolarHBondContact O-CD2 3.4Å; F151-Y160 PolarHBondContact O-N 2.97Å; C153-Y160 HydrophobicContact CB-CE2 4.18Å; R158-Y160 HydrophobicContact CB-CE2 3.76Å; R158-Y160 WeakPolarHBondContact O-CE2 3.28Å; Y160-S162 VanDerWaalsContact C-N 3.26Å; Y160-S162 PolarHBondContact O-N 2.88Å; Y160-L165 HydrophobicContact CD1-CB 3.93Å; Y160-L165 HydrophobicContact CG-CB 4.47Å; Y160-L166 HydrophobicContact CD2-CB 4.01Å; Y160-L166 HydrophobicContact CD2-CD1 3.65Å; Y160-L166 HydrophobicContact CD2-CG 4.45Å; Y160-L166 HydrophobicContact CE2-CD1 3.96Å; Y160-L166 HydrophobicContact CG-CB 4.1Å; Y160-H169 HydrophobicContact CE1-CB 3.84Å; Y160-H169 HydrophobicContact CE2-CB 4.16Å; Y160-H169 AromaticContact CE2-CD2 3.74Å; Y160-H169 AromaticContact CE2-CG 3.95Å; Y160-H169 AromaticContact CZ-CD2 3.7Å; Y160-H169 AromaticContact CZ-CG 3.44Å; Y160-H169 VanDerWaalsContact CZ-CG 3.44Å; Y160-H169 AromaticContact CZ-ND1 3.98Å; Y160-H169 PolarHBondContact OH-CD2 2.89Å; Y160-H169 VanDerWaalsContact OH-CD2 3.3Å; Y160-H169 PolarHBondContact OH-CE1 3.44Å; Y160-H169 PolarHBondContact OH-ND1 2.94Å
161P76.9Confident84.3Confident95 Ų9552.2 Ų52.262%0.61728%0.284SS*.SBendtrans-68.2-21.4177.5-22.633.6000114.6L165P161-L165 HydrophobicContact CG-CD1 4.36Å
162S81.2Confident84.7Confident38 Ų3851.9 Ų51.927%0.26628%0.283SS..SBendtrans-145.8156.3-17871.60000111.8Y160 H164 L165 L166Y160-S162 VanDerWaalsContact C-N 3.26Å; Y160-S162 PolarHBondContact O-N 2.88Å; S162-H164 VanDerWaalsContact C-N 3.29Å; S162-H164 PolarHBondContact O-N 3.12Å; S162-L165 PolarHBondContact O-N 3.16Å; S162-L165 WeakPolarHBondContact OG-CG 3.4Å; S162-L165 PolarHBondContact OG-N 3.18Å; S162-L166 PolarHBondContact O-N 3.39Å
163A85.3Confident84.8Confident42 Ų4253 Ų5335%0.34729%0.292SS..Hα-helixtrans-55.9-43.7174.600000112.1F151 L165 L166 D167F151-A163 VanDerWaalsContact CD1-CA 3.5Å; F151-A163 HydrophobicContact CD1-CB 3.77Å; F151-A163 HydrophobicContact CE1-CB 3.57Å; F151-A163 HydrophobicContact CZ-CB 4.28Å; A163-L165 PolarHBondContact O-N 3.46Å; A163-L166 WeakPolarHBondContact O-CB 3.45Å; A163-L166 PolarHBondContact O-N 3.45Å; A163-L166 VanDerWaalsContact O-N 3.14Å; A163-D167 PolarHBondContact O-N 3.18Å
164H86.3Confident84.8Confident41 Ų4156 Ų5619%0.1931%0.306CS..Hα-helixtrans-57.8-46.1-179.7-178.568.6000112.2S162 L166 D167 L168 C185 F186 P188S162-H164 VanDerWaalsContact C-N 3.29Å; S162-H164 PolarHBondContact O-N 3.12Å; H164-L166 VanDerWaalsContact C-N 3.32Å; H164-L166 PolarHBondContact O-N 3.27Å; H164-D167 PolarHBondContact O-N 3.26Å; H164-L168 VanDerWaalsContact O-CG 3.3Å; H164-L168 WeakPolarHBondContact O-CG 3.44Å; H164-L168 PolarHBondContact O-N 3.41Å; H164-C185 PolarHBondContact NE2-O 3.3Å; H164-F186 PolarHBondContact CD2-O 3.37Å; H164-F186 PolarHBondContact NE2-O 3.43Å; H164-P188 HydrophobicContact CB-CB 4.28Å; H164-P188 HydrophobicContact CB-CG 3.79Å
165L86Confident84.8Confident22 Ų2252.9 Ų52.912%0.11529%0.292CS..Hα-helixtrans-65.9-36.1178.8-67.2174.3000112.3Y160 P161 S162 A163 L168 H169 F186 Y216Y160-L165 HydrophobicContact CD1-CB 3.93Å; Y160-L165 HydrophobicContact CG-CB 4.47Å; P161-L165 HydrophobicContact CG-CD1 4.36Å; S162-L165 PolarHBondContact O-N 3.16Å; S162-L165 WeakPolarHBondContact OG-CG 3.4Å; S162-L165 PolarHBondContact OG-N 3.18Å; A163-L165 PolarHBondContact O-N 3.46Å; L165-L168 HydrophobicContact CD2-CD1 4.49Å; L165-H169 WeakPolarHBondContact O-CB 3.35Å; L165-H169 PolarHBondContact O-N 3.11Å; L165-F186 HydrophobicContact CD2-CB 4.14Å; L165-F186 HydrophobicContact CD2-CD1 3.9Å; L165-F186 HydrophobicContact CD2-CG 4.35Å; L165-Y216 HydrophobicContact CD2-CD2 4.49Å
166L84Confident84.6Confident20 Ų2054.7 Ų54.711%0.10530%0.302CS..Hα-helixtrans-63.4-45.5172.4172.564.9000111.4F151 C153 Y160 S162 A163 H164 H169 I170F151-L166 HydrophobicContact CB-CB 4.17Å; F151-L166 HydrophobicContact CB-CD2 4.09Å; C153-L166 HydrophobicContact CB-CD1 3.7Å; Y160-L166 HydrophobicContact CD2-CB 4.01Å; Y160-L166 HydrophobicContact CD2-CD1 3.65Å; Y160-L166 HydrophobicContact CD2-CG 4.45Å; Y160-L166 HydrophobicContact CE2-CD1 3.96Å; Y160-L166 HydrophobicContact CG-CB 4.1Å; S162-L166 PolarHBondContact O-N 3.39Å; A163-L166 WeakPolarHBondContact O-CB 3.45Å; A163-L166 PolarHBondContact O-N 3.45Å; A163-L166 VanDerWaalsContact O-N 3.14Å; H164-L166 VanDerWaalsContact C-N 3.32Å; H164-L166 PolarHBondContact O-N 3.27Å; L166-H169 WeakPolarHBondContact O-CB 3.34Å; L166-H169 PolarHBondContact O-N 3.07Å; L166-I170 HydrophobicContact CD1-CD1 3.84Å; L166-I170 HydrophobicContact CD1-CG1 4.1Å; L166-I170 HydrophobicContact CD2-CD1 4.45Å; L166-I170 HydrophobicContact CG-CD1 3.86Å; L166-I170 HydrophobicContact CG-CG1 4.46Å; L166-I170 WeakPolarHBondContact O-CG1 3.4Å; L166-I170 PolarHBondContact O-N 3.39Å
167D88.5Confident84.4Confident88 Ų8860 Ų6047%0.47132%0.324SS..Hα-helixtrans-64.9-40.7-179.1-75.1-24.5000112.1A163 H164 I170 A171A163-D167 PolarHBondContact O-N 3.18Å; H164-D167 PolarHBondContact O-N 3.26Å; D167-I170 PolarHBondContact O-N 2.91Å; D167-A171 WeakPolarHBondContact O-CB 3.41Å; D167-A171 PolarHBondContact O-N 3.42Å
168L88.8Confident84Confident4 Ų456.3 Ų56.32%0.02131%0.309CS..Hα-helixtrans-58.8-48.2171.3-67.5-179.1000111.1H164 L165 I170 A171 E172 R184 F186H164-L168 VanDerWaalsContact O-CG 3.3Å; H164-L168 WeakPolarHBondContact O-CG 3.44Å; H164-L168 PolarHBondContact O-N 3.41Å; L165-L168 HydrophobicContact CD2-CD1 4.49Å; L168-I170 PolarHBondContact O-N 3.36Å; L168-A171 PolarHBondContact O-N 3.05Å; L168-E172 WeakPolarHBondContact O-CB 3.03Å; L168-E172 WeakPolarHBondContact O-CG 3.35Å; L168-E172 PolarHBondContact O-N 3.04Å; L168-R184 HydrophobicContact CD2-CB 3.67Å; L168-R184 HydrophobicContact CD2-CG 4.45Å; L168-F186 HydrophobicContact CD1-CD1 3.66Å; L168-F186 HydrophobicContact CD1-CE1 4.23Å
169H88.1Confident83.6Confident7 Ų759 Ų593%0.03233%0.33CS..Hα-helixtrans-59-46.8177.916669.3000112.3C153 C156 Y160 L165 L166 E172 N173 H174C153-H169 PolarHBondContact SG-NE2 3.36Å; C153-H169 VanDerWaalsContact SG-NE2 3.37Å; C156-H169 PolarHBondContact SG-NE2 3.46Å; Y160-H169 HydrophobicContact CE1-CB 3.84Å; Y160-H169 HydrophobicContact CE2-CB 4.16Å; Y160-H169 AromaticContact CE2-CD2 3.74Å; Y160-H169 AromaticContact CE2-CG 3.95Å; Y160-H169 AromaticContact CZ-CD2 3.7Å; Y160-H169 AromaticContact CZ-CG 3.44Å; Y160-H169 VanDerWaalsContact CZ-CG 3.44Å; Y160-H169 AromaticContact CZ-ND1 3.98Å; Y160-H169 PolarHBondContact OH-CD2 2.89Å; Y160-H169 VanDerWaalsContact OH-CD2 3.3Å; Y160-H169 PolarHBondContact OH-CE1 3.44Å; Y160-H169 PolarHBondContact OH-ND1 2.94Å; L165-H169 WeakPolarHBondContact O-CB 3.35Å; L165-H169 PolarHBondContact O-N 3.11Å; L166-H169 WeakPolarHBondContact O-CB 3.34Å; L166-H169 PolarHBondContact O-N 3.07Å; H169-E172 PolarHBondContact O-N 3.3Å; H169-N173 PolarHBondContact ND1-ND2 3.3Å; H169-N173 VanDerWaalsContact ND1-ND2 3.11Å; H169-N173 WeakPolarHBondContact O-CB 3.3Å; H169-N173 PolarHBondContact O-N 2.9Å; H169-N173 PolarHBondContact O-ND2 2.85Å; H169-H174 AromaticContact CD2-CD2 3.97Å; H169-H174 AromaticContact CE1-CD2 3.89Å; H169-H174 AromaticContact CE1-NE2 3.64Å; H169-H174 AromaticContact NE2-CD2 3.26Å; H169-H174 PolarHBondContact NE2-CD2 3.12Å; H169-H174 VanDerWaalsContact NE2-CD2 3.26Å; H169-H174 AromaticContact NE2-NE2 3.18Å; H169-H174 PolarHBondContact NE2-NE2 3.18Å; H169-H174 VanDerWaalsContact NE2-NE2 3.18Å
170I87.3Confident83.5Confident64 Ų6460.5 Ų60.533%0.32834%0.342SS..Hα-helixtrans-62.4-45.7179-68.4169.2000110.3L166 D167 L168 E172 H174 N175L166-I170 HydrophobicContact CD1-CD1 3.84Å; L166-I170 HydrophobicContact CD1-CG1 4.1Å; L166-I170 HydrophobicContact CD2-CD1 4.45Å; L166-I170 HydrophobicContact CG-CD1 3.86Å; L166-I170 HydrophobicContact CG-CG1 4.46Å; L166-I170 WeakPolarHBondContact O-CG1 3.4Å; L166-I170 PolarHBondContact O-N 3.39Å; D167-I170 PolarHBondContact O-N 2.91Å; L168-I170 PolarHBondContact O-N 3.36Å; I170-E172 VanDerWaalsContact C-N 3.33Å; I170-E172 PolarHBondContact O-N 3.43Å; I170-H174 HydrophobicContact CG2-CB 4.36Å; I170-H174 CarbonylContact O-C 3.3Å; I170-H174 VanDerWaalsContact O-C 3.3Å; I170-H174 WeakPolarHBondContact O-CA 3.47Å; I170-H174 PolarHBondContact O-N 3.47Å; I170-N175 PolarHBondContact O-N 2.97Å
171A88.4Confident83.5Confident17 Ų1763.7 Ų63.714%0.1436%0.364CS..Hα-helixtrans-59-44.317800000111.8D167 L168 N175 Q178D167-A171 WeakPolarHBondContact O-CB 3.41Å; D167-A171 PolarHBondContact O-N 3.42Å; L168-A171 PolarHBondContact O-N 3.05Å; A171-N175 WeakPolarHBondContact O-CB 3.34Å; A171-Q178 VanDerWaalsContact O-CD 3.27Å; A171-Q178 PolarHBondContact O-NE2 2.94Å; A171-Q178 PolarHBondContact O-OE1 3.37Å; A171-Q178 VanDerWaalsContact O-OE1 3.05Å
172E90Very high83.9Confident36 Ų3661.5 Ų61.517%0.16835%0.351CS..Hα-helixtrans-78.8-33.3-174.9-71.8164-143.100114.1L168 H169 I170 F183 R200L168-E172 WeakPolarHBondContact O-CB 3.03Å; L168-E172 WeakPolarHBondContact O-CG 3.35Å; L168-E172 PolarHBondContact O-N 3.04Å; H169-E172 PolarHBondContact O-N 3.3Å; I170-E172 VanDerWaalsContact C-N 3.33Å; I170-E172 PolarHBondContact O-N 3.43Å; E172-F183 HydrophobicContact CG-CD1 4.03Å; E172-F183 HydrophobicContact CG-CE1 4.08Å; E172-R200 VanDerWaalsContact CD-NH1 3.26Å; E172-R200 IonicContact OE1-CZ 3.65Å; E172-R200 IonicContact OE1-NH1 2.63Å; E172-R200 PolarHBondContact OE1-NH1 3.11Å; E172-R200 IonicContact OE1-NH2 3.82Å; E172-R200 IonicContact OE2-CZ 3.48Å; E172-R200 IonicContact OE2-NH1 3.18Å; E172-R200 PolarHBondContact OE2-NH1 3.14Å; E172-R200 IonicContact OE2-NH2 2.87Å; E172-R200 PolarHBondContact OE2-NH2 2.94Å
173N87.5Confident84.4Confident96 Ų9661.1 Ų61.151%0.51334%0.344SS..Hα-helixtrans-116.1-21.6-168.8-60.1-86.9000114.1H169H169-N173 PolarHBondContact ND1-ND2 3.3Å; H169-N173 VanDerWaalsContact ND1-ND2 3.11Å; H169-N173 WeakPolarHBondContact O-CB 3.3Å; H169-N173 PolarHBondContact O-N 2.9Å; H169-N173 PolarHBondContact O-ND2 2.85Å
174H84.9Confident84.7Confident62 Ų6264.3 Ų64.329%0.28735%0.347SS..THydrogen-bonded Turntrans-131.11.3-169.7-64.3-46.2000114.2C153 H169 I170 P176C153-H174 PolarHBondContact SG-CD2 2.93Å; H169-H174 AromaticContact CD2-CD2 3.97Å; H169-H174 AromaticContact CE1-CD2 3.89Å; H169-H174 AromaticContact CE1-NE2 3.64Å; H169-H174 AromaticContact NE2-CD2 3.26Å; H169-H174 PolarHBondContact NE2-CD2 3.12Å; H169-H174 VanDerWaalsContact NE2-CD2 3.26Å; H169-H174 AromaticContact NE2-NE2 3.18Å; H169-H174 PolarHBondContact NE2-NE2 3.18Å; H169-H174 VanDerWaalsContact NE2-NE2 3.18Å; I170-H174 HydrophobicContact CG2-CB 4.36Å; I170-H174 CarbonylContact O-C 3.3Å; I170-H174 VanDerWaalsContact O-C 3.3Å; I170-H174 WeakPolarHBondContact O-CA 3.47Å; I170-H174 PolarHBondContact O-N 3.47Å; H174-P176 WeakPolarHBondContact O-CD 3.47Å
175N82.2Confident85Confident65 Ų6562.3 Ų62.335%0.34834%0.338SS..  trans-94.296.7175.8-17716.2000110.6I170 A171 M177 Q178I170-N175 PolarHBondContact O-N 2.97Å; A171-N175 WeakPolarHBondContact O-CB 3.34Å; N175-M177 PolarHBondContact O-N 3.19Å; N175-M177 VanDerWaalsContact O-N 3.14Å; N175-M177 WeakPolarHBondContact OD1-CB 3.36Å; N175-M177 PolarHBondContact OD1-N 3.05Å; N175-M177 VanDerWaalsContact OD1-N 3.11Å; N175-Q178 HydrophobicContact CB-CB 4.34Å; N175-Q178 WeakPolarHBondContact O-CB 3.03Å; N175-Q178 PolarHBondContact O-N 3.33Å; N175-Q178 VanDerWaalsContact O-N 3.11Å
176P79.5Confident85.1Confident122 Ų12262.2 Ų62.279%0.79234%0.337SS*.THydrogen-bonded Turntrans-66.4-14.7177.529.7-37.2000112.9H174 Q178H174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-Q178 VanDerWaalsContact C-N 3.29Å
177M80.8Confident85.4Confident155 Ų15562.4 Ų62.476%0.76434%0.339SS*.THydrogen-bonded Turntrans-87.43.4177.4-59.6-66.6175.600112.6N175 I179N175-M177 PolarHBondContact O-N 3.19Å; N175-M177 VanDerWaalsContact O-N 3.14Å; N175-M177 WeakPolarHBondContact OD1-CB 3.36Å; N175-M177 PolarHBondContact OD1-N 3.05Å; N175-M177 VanDerWaalsContact OD1-N 3.11Å; M177-I179 PolarHBondContact O-N 2.87Å
178Q76.2Confident85.4Confident53 Ų5362.5 Ų62.525%0.24834%0.344CS..  trans-75.1105.3175.6-171.9162.5-86.700110A171 N175 P176 A180A171-Q178 VanDerWaalsContact O-CD 3.27Å; A171-Q178 PolarHBondContact O-NE2 2.94Å; A171-Q178 PolarHBondContact O-OE1 3.37Å; A171-Q178 VanDerWaalsContact O-OE1 3.05Å; N175-Q178 HydrophobicContact CB-CB 4.34Å; N175-Q178 WeakPolarHBondContact O-CB 3.03Å; N175-Q178 PolarHBondContact O-N 3.33Å; N175-Q178 VanDerWaalsContact O-N 3.11Å; P176-Q178 VanDerWaalsContact C-N 3.29Å; Q178-A180 WeakPolarHBondContact CG-O 3.46Å
179I74.9Confident85.3Confident173 Ų17367.3 Ų67.389%0.88738%0.378SS*.  trans-76-36.3-175.7-57.8172.2000111.5M177M177-I179 PolarHBondContact O-N 2.87Å
180A78.3Confident85.3Confident62 Ų6268.2 Ų68.251%0.51239%0.385SS..SBendtrans-133.7142.2177.600000109.6Q178 S182Q178-A180 WeakPolarHBondContact CG-O 3.46Å; A180-S182 PolarHBondContact O-N 3.18Å; A180-S182 VanDerWaalsContact O-N 3.12Å
181P78.1Confident85.5Confident76 Ų7672.8 Ų72.849%0.49441%0.409SS..  trans-61.1117.9174.725.7-32000109.1F183P181-F183 HydrophobicContact CB-CD2 4.4Å; P181-F183 HydrophobicContact CB-CE2 3.73Å; P181-F183 HydrophobicContact CB-CZ 4.17Å
182S86.2Confident85.7Confident48 Ų4876.8 Ų76.834%0.33643%0.425SS..  trans-121.9102.3173.153.90000108.8A180 R184A180-S182 PolarHBondContact O-N 3.18Å; A180-S182 VanDerWaalsContact O-N 3.12Å; S182-R184 PolarHBondContact O-N 2.63Å
183F91.8Very high85.9Confident31 Ų3178.9 Ų78.914%0.13644%0.44CS..EExtended strand (participates in β ladder)trans-91.895.8-179.9-63.4-74.9000108.8E172 P181 F194 S195 L196 Q197 R200E172-F183 HydrophobicContact CG-CD1 4.03Å; E172-F183 HydrophobicContact CG-CE1 4.08Å; P181-F183 HydrophobicContact CB-CD2 4.4Å; P181-F183 HydrophobicContact CB-CE2 3.73Å; P181-F183 HydrophobicContact CB-CZ 4.17Å; F183-F194 HydrophobicContact CB-CB 4.26Å; F183-F194 PolarHBondContact N-O 3.44Å; F183-F194 VanDerWaalsContact O-CD2 3.32Å; F183-F194 WeakPolarHBondContact O-CD2 2.82Å; F183-F194 PolarHBondContact O-N 3.23Å; F183-S195 WeakPolarHBondContact CD2-O 3.13Å; F183-S195 VanDerWaalsContact CE2-O 3.3Å; F183-S195 WeakPolarHBondContact CE2-O 3.18Å; F183-L196 VanDerWaalsContact CD2-C 3.42Å; F183-Q197 HydrophobicContact CD1-CB 4.24Å; F183-Q197 HydrophobicContact CD1-CG 4.49Å; F183-Q197 HydrophobicContact CE1-CB 3.98Å; F183-Q197 HydrophobicContact CE1-CG 4.37Å; F183-Q197 HydrophobicContact CE2-CB 4.25Å; F183-Q197 HydrophobicContact CG-CB 4.49Å; F183-Q197 HydrophobicContact CZ-CB 3.98Å; F183-R200 HydrophobicContact CB-CB 4.2Å
184R91.9Very high86.2Confident108 Ų10875.8 Ų75.841%0.40842%0.422SS..EExtended strand (participates in β ladder)trans-74.8152.9174.3-57.7-179.5-74.4-152.3-0.9110.4L168 S182 V193 R200L168-R184 HydrophobicContact CD2-CB 3.67Å; L168-R184 HydrophobicContact CD2-CG 4.45Å; S182-R184 PolarHBondContact O-N 2.63Å; R184-V193 HydrophobicContact CG-CG1 4.16Å; R184-V193 HydrophobicContact CG-CG2 3.96Å; R184-R200 WeakPolarHBondContact O-CD 3.33Å
185C92Very high86.5Confident0 Ų076.6 Ų76.60%044%0.435CS..  trans-57.8149.1176.9-173.20000112.3H164 V187 C190 E192 H203 H208H164-C185 PolarHBondContact NE2-O 3.3Å; C185-V187 VanDerWaalsContact C-N 3.28Å; C185-V187 PolarHBondContact O-N 3.11Å; C185-C190 HydrophobicContact CB-CB 3.8Å; C185-E192 PolarHBondContact N-O 3.17Å; C185-H203 VanDerWaalsContact SG-CD2 3.59Å; C185-H203 PolarHBondContact SG-NE2 3.43Å; C185-H203 VanDerWaalsContact SG-NE2 3.44Å; C185-H208 VanDerWaalsContact SG-CD2 3.58Å; C185-H208 PolarHBondContact SG-NE2 3.45Å; C185-H208 VanDerWaalsContact SG-NE2 3.41Å
186F88.6Confident86.9Confident19 Ų1978 Ų788%0.08344%0.442CS..SBendtrans-72.8-18.2177-58.7-52.6000113.8H164 L165 L168 P188 R200 Y204 Y216H164-F186 PolarHBondContact CD2-O 3.37Å; H164-F186 PolarHBondContact NE2-O 3.43Å; L165-F186 HydrophobicContact CD2-CB 4.14Å; L165-F186 HydrophobicContact CD2-CD1 3.9Å; L165-F186 HydrophobicContact CD2-CG 4.35Å; L168-F186 HydrophobicContact CD1-CD1 3.66Å; L168-F186 HydrophobicContact CD1-CE1 4.23Å; F186-P188 WeakPolarHBondContact O-CD 3.36Å; F186-R200 HydrophobicContact CE2-CG 4.14Å; F186-R200 HydrophobicContact CZ-CG 4.2Å; F186-Y204 HydrophobicContact CB-CD2 4.03Å; F186-Y204 HydrophobicContact CB-CE1 4.5Å; F186-Y204 HydrophobicContact CB-CE2 3.61Å; F186-Y204 AromaticContact CD2-CD1 3.86Å; F186-Y204 HydrophobicContact CD2-CD1 3.86Å; F186-Y204 HydrophobicContact CD2-CD2 4.12Å; F186-Y204 HydrophobicContact CD2-CE1 4Å; F186-Y204 HydrophobicContact CD2-CE2 4.27Å; F186-Y204 AromaticContact CD2-CG 3.88Å; F186-Y204 HydrophobicContact CD2-CG 3.88Å; F186-Y204 HydrophobicContact CG-CE2 4.47Å; F186-Y216 HydrophobicContact CD1-CD1 4.41Å; F186-Y216 AromaticContact CD1-CE1 3.97Å; F186-Y216 HydrophobicContact CD1-CE1 3.97Å; F186-Y216 HydrophobicContact CD2-CD1 4.44Å; F186-Y216 HydrophobicContact CD2-CE1 4.14Å; F186-Y216 HydrophobicContact CE1-CD1 4.1Å; F186-Y216 AromaticContact CE1-CE1 3.25Å; F186-Y216 HydrophobicContact CE1-CE1 3.25Å; F186-Y216 AromaticContact CE1-CE2 3.96Å; F186-Y216 HydrophobicContact CE1-CE2 3.96Å; F186-Y216 AromaticContact CE1-CZ 3.16Å; F186-Y216 WeakPolarHBondContact CE1-OH 3.34Å; F186-Y216 HydrophobicContact CE2-CD1 4.11Å; F186-Y216 AromaticContact CE2-CE1 3.44Å; F186-Y216 HydrophobicContact CE2-CE1 3.44Å; F186-Y216 VanDerWaalsContact CE2-CE1 3.44Å; F186-Y216 HydrophobicContact CG-CE1 4.39Å; F186-Y216 AromaticContact CZ-CD1 3.96Å; F186-Y216 HydrophobicContact CZ-CD1 3.96Å; F186-Y216 AromaticContact CZ-CE1 2.95Å; F186-Y216 HydrophobicContact CZ-CE1 2.95Å; F186-Y216 HydrophobicContact CZ-CE2 4.41Å; F186-Y216 AromaticContact CZ-CZ 3.24Å; F186-Y216 WeakPolarHBondContact CZ-OH 3.28Å
187V90.1Very high87.4Confident25 Ų2576.8 Ų76.815%0.15243%0.426CS..SBendtrans-80.3122.9172.7-176.30000109C185 S189 C190 Y204 H208C185-V187 VanDerWaalsContact C-N 3.28Å; C185-V187 PolarHBondContact O-N 3.11Å; V187-S189 VanDerWaalsContact CG1-OG 3.27Å; V187-S189 WeakPolarHBondContact CG1-OG 3.13Å; V187-S189 PolarHBondContact O-N 3.04Å; V187-C190 HydrophobicContact CB-CB 3.89Å; V187-C190 HydrophobicContact CG1-CB 4.4Å; V187-C190 PolarHBondContact O-N 3.03Å; V187-Y204 HydrophobicContact CG2-CD2 4.05Å; V187-Y204 HydrophobicContact CG2-CE2 3.49Å; V187-Y204 VanDerWaalsContact CG2-CE2 3.49Å; V187-H208 HydrophobicContact CG2-CB 4.24Å
188P87Confident87.9Confident90 Ų9072.2 Ų72.258%0.58441%0.409SS*.THydrogen-bonded Turntrans-59.7-31.3-178.9-23.532.1000114.4H164 F186 C190H164-P188 HydrophobicContact CB-CB 4.28Å; H164-P188 HydrophobicContact CB-CG 3.79Å; F186-P188 WeakPolarHBondContact O-CD 3.36Å; P188-C190 VanDerWaalsContact C-N 3.33Å
189S86.5Confident88.7Confident105 Ų10572.5 Ų72.573%0.73441%0.412SS*.THydrogen-bonded Turntrans-82-7.3177.956.20000114.1V187V187-S189 VanDerWaalsContact CG1-OG 3.27Å; V187-S189 WeakPolarHBondContact CG1-OG 3.13Å; V187-S189 PolarHBondContact O-N 3.04Å
190C89.5Confident89.6Confident25 Ų2564.3 Ų64.317%0.16937%0.37CS..  trans-91.8128.2179.6-174.10000110.6C185 V187 P188 H203 H208C185-C190 HydrophobicContact CB-CB 3.8Å; V187-C190 HydrophobicContact CB-CB 3.89Å; V187-C190 HydrophobicContact CG1-CB 4.4Å; V187-C190 PolarHBondContact O-N 3.03Å; P188-C190 VanDerWaalsContact C-N 3.33Å; C190-H203 PolarHBondContact SG-NE2 3Å; C190-H203 VanDerWaalsContact SG-NE2 3.36Å; C190-H208 WeakPolarHBondContact CB-NE2 3.42Å; C190-H208 PolarHBondContact SG-NE2 3.41Å
191L90.4Very high90.1Very high160 Ų16065.1 Ų65.184%0.83836%0.36SS*.  trans-93.41.9-175-58.2-179.4000113.7
192E93.1Very high90.9Very high101 Ų10165.8 Ų65.847%0.47236%0.359SS..  trans-69.9138.5-178.2-68.6-62.814000112.3C185 F194C185-E192 PolarHBondContact N-O 3.17Å; E192-F194 HydrophobicContact CB-CE2 3.75Å; E192-F194 HydrophobicContact CB-CZ 3.54Å; E192-F194 HydrophobicContact CG-CZ 4.34Å
193V93.9Very high91.2Very high80 Ų8064.6 Ų64.649%0.48535%0.348SS..EExtended strand (participates in β ladder)trans-133.4131.7-179-170.40000109.7R184R184-V193 HydrophobicContact CG-CG1 4.16Å; R184-V193 HydrophobicContact CG-CG2 3.96Å
194F93.8Very high91.1Very high32 Ų3264.1 Ų64.114%0.1435%0.346CS..EExtended strand (participates in β ladder)trans-117.8151.5-174-53.2-80.6000111.4F183 E192 D199 R200 H203F183-F194 HydrophobicContact CB-CB 4.26Å; F183-F194 PolarHBondContact N-O 3.44Å; F183-F194 VanDerWaalsContact O-CD2 3.32Å; F183-F194 WeakPolarHBondContact O-CD2 2.82Å; F183-F194 PolarHBondContact O-N 3.23Å; E192-F194 HydrophobicContact CB-CE2 3.75Å; E192-F194 HydrophobicContact CB-CZ 3.54Å; E192-F194 HydrophobicContact CG-CZ 4.34Å; F194-D199 HydrophobicContact CB-CB 4.13Å; F194-D199 HydrophobicContact CD1-CB 3.83Å; F194-D199 HydrophobicContact CG-CB 4.21Å; F194-R200 HydrophobicContact CB-CB 4.24Å; F194-R200 VanDerWaalsContact CD2-CA 3.46Å; F194-R200 HydrophobicContact CD2-CB 3.62Å; F194-R200 HydrophobicContact CD2-CG 4.12Å; F194-R200 HydrophobicContact CE2-CB 4.36Å; F194-R200 HydrophobicContact CG-CB 4.09Å; F194-H203 HydrophobicContact CE1-CB 3.78Å; F194-H203 HydrophobicContact CE2-CB 3.87Å; F194-H203 AromaticContact CE2-CD2 3.66Å; F194-H203 AromaticContact CE2-CG 3.75Å; F194-H203 HydrophobicContact CZ-CB 3.27Å; F194-H203 AromaticContact CZ-CD2 3.56Å; F194-H203 AromaticContact CZ-CG 3.18Å; F194-H203 AromaticContact CZ-ND1 3.64Å
195S91.1Very high91.1Very high78 Ų7861.1 Ų61.155%0.54534%0.337SS..SBendtrans-83.6-29.4174.5540000112.3F183F183-S195 WeakPolarHBondContact CD2-O 3.13Å; F183-S195 VanDerWaalsContact CE2-O 3.3Å; F183-S195 WeakPolarHBondContact CE2-O 3.18Å
196L90.7Very high91.2Very high96 Ų9665.8 Ų65.850%0.50337%0.366SS..SBendtrans-116.2147.2178.8-64.4167.7000111.3F183 S198 D199 R200F183-L196 VanDerWaalsContact CD2-C 3.42Å; L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 WeakPolarHBondContact CB-OG 3.17Å; L196-S198 PolarHBondContact O-N 3.41Å; L196-D199 PolarHBondContact O-N 2.62Å; L196-R200 PolarHBondContact O-N 2.93Å
197Q90.4Very high91.4Very high96 Ų9668.8 Ų68.845%0.44939%0.385SS..Hα-helixtrans-68.5-26.3176.2-170.9169.682.100112.4F183 R201F183-Q197 HydrophobicContact CD1-CB 4.24Å; F183-Q197 HydrophobicContact CD1-CG 4.49Å; F183-Q197 HydrophobicContact CE1-CB 3.98Å; F183-Q197 HydrophobicContact CE1-CG 4.37Å; F183-Q197 HydrophobicContact CE2-CB 4.25Å; F183-Q197 HydrophobicContact CG-CB 4.49Å; F183-Q197 HydrophobicContact CZ-CB 3.98Å; Q197-R201 PolarHBondContact O-N 2.97Å; Q197-R201 VanDerWaalsContact O-N 3.14Å
198S90.9Very high91.5Very high59 Ų5970.1 Ų70.141%0.41339%0.39SS..Hα-helixtrans-61.5-48.5172.549.20000111.4L196 R200 R201 D202L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 WeakPolarHBondContact CB-OG 3.17Å; L196-S198 PolarHBondContact O-N 3.41Å; S198-R200 VanDerWaalsContact C-N 3.3Å; S198-R200 PolarHBondContact O-N 2.97Å; S198-R201 WeakPolarHBondContact O-CA 3.26Å; S198-R201 VanDerWaalsContact O-CB 3.26Å; S198-R201 WeakPolarHBondContact O-CB 3.4Å; S198-R201 PolarHBondContact O-N 3.46Å; S198-D202 PolarHBondContact O-N 3.14Å
199D93.6Very high91.6Very high59 Ų5972.3 Ų72.332%0.31640%0.397SS..Hα-helixtrans-67-37.8-174.9-52.2-12.4000110.4F194 L196 R201 D202 H203F194-D199 HydrophobicContact CB-CB 4.13Å; F194-D199 HydrophobicContact CD1-CB 3.83Å; F194-D199 HydrophobicContact CG-CB 4.21Å; L196-D199 PolarHBondContact O-N 2.62Å; D199-R201 VanDerWaalsContact C-N 3.32Å; D199-R201 PolarHBondContact O-N 3.29Å; D199-D202 PolarHBondContact O-N 3.14Å; D199-H203 VanDerWaalsContact O-CB 3.32Å; D199-H203 WeakPolarHBondContact O-CB 2.86Å; D199-H203 PolarHBondContact O-N 3.45Å
200R92.8Very high91.5Very high1 Ų170.2 Ų70.20%0.00438%0.375CS..Hα-helixtrans-58.1-44.3169.8176.2176.164.6-176.92.6112E172 F183 R184 F186 F194 L196 S198 Y204 Y216E172-R200 VanDerWaalsContact CD-NH1 3.26Å; E172-R200 IonicContact OE1-CZ 3.65Å; E172-R200 IonicContact OE1-NH1 2.63Å; E172-R200 PolarHBondContact OE1-NH1 3.11Å; E172-R200 IonicContact OE1-NH2 3.82Å; E172-R200 IonicContact OE2-CZ 3.48Å; E172-R200 IonicContact OE2-NH1 3.18Å; E172-R200 PolarHBondContact OE2-NH1 3.14Å; E172-R200 IonicContact OE2-NH2 2.87Å; E172-R200 PolarHBondContact OE2-NH2 2.94Å; F183-R200 HydrophobicContact CB-CB 4.2Å; R184-R200 WeakPolarHBondContact O-CD 3.33Å; F186-R200 HydrophobicContact CE2-CG 4.14Å; F186-R200 HydrophobicContact CZ-CG 4.2Å; F194-R200 HydrophobicContact CB-CB 4.24Å; F194-R200 VanDerWaalsContact CD2-CA 3.46Å; F194-R200 HydrophobicContact CD2-CB 3.62Å; F194-R200 HydrophobicContact CD2-CG 4.12Å; F194-R200 HydrophobicContact CE2-CB 4.36Å; F194-R200 HydrophobicContact CG-CB 4.09Å; L196-R200 PolarHBondContact O-N 2.93Å; S198-R200 VanDerWaalsContact C-N 3.3Å; S198-R200 PolarHBondContact O-N 2.97Å; R200-Y204 VanDerWaalsContact O-CB 3.29Å; R200-Y204 WeakPolarHBondContact O-CB 3.3Å; R200-Y204 PolarHBondContact O-N 3.08Å; R200-Y216 PolarHBondContact NH2-OH 2.68Å
201R90.3Very high91.3Very high78 Ų7872.2 Ų72.229%0.29439%0.387SS..Hα-helixtrans-63-47.8179.8-175.4-169.6-172.482.31.6110.1Q197 S198 D199 Y204 I205 P212 R215Q197-R201 PolarHBondContact O-N 2.97Å; Q197-R201 VanDerWaalsContact O-N 3.14Å; S198-R201 WeakPolarHBondContact O-CA 3.26Å; S198-R201 VanDerWaalsContact O-CB 3.26Å; S198-R201 WeakPolarHBondContact O-CB 3.4Å; S198-R201 PolarHBondContact O-N 3.46Å; D199-R201 VanDerWaalsContact C-N 3.32Å; D199-R201 PolarHBondContact O-N 3.29Å; R201-Y204 PolarHBondContact O-N 3.12Å; R201-I205 HydrophobicContact CG-CD1 3.84Å; R201-I205 VanDerWaalsContact O-CG1 3.3Å; R201-I205 WeakPolarHBondContact O-CG1 3.11Å; R201-I205 PolarHBondContact O-N 3.36Å; R201-P212 PolarHBondContact NH2-O 3.37Å; R201-R215 VanDerWaalsContact NH2-CZ 3.35Å
202D93.2Very high90.8Very high91 Ų9168.8 Ų68.849%0.48737%0.374SS..Hα-helixtrans-63.9-44.4-179.4-67.1-18.5000111.1S198 D199 Y204 I205 T206S198-D202 PolarHBondContact O-N 3.14Å; D199-D202 PolarHBondContact O-N 3.14Å; D202-Y204 PolarHBondContact O-N 2.83Å; D202-I205 PolarHBondContact O-N 3.47Å; D202-T206 WeakPolarHBondContact O-CB 3.17Å; D202-T206 VanDerWaalsContact O-CG2 3.28Å; D202-T206 WeakPolarHBondContact O-CG2 3.27Å; D202-T206 PolarHBondContact O-N 3.45Å; D202-T206 PolarHBondContact O-OG1 3.16Å
203H94.1Very high90.1Very high22 Ų2269.7 Ų69.710%0.10238%0.383CS..Hα-helixtrans-57.5-48.7173.4166.481.2000111.9C185 C190 F194 D199 I205 T206 V207 H208C185-H203 VanDerWaalsContact SG-CD2 3.59Å; C185-H203 PolarHBondContact SG-NE2 3.43Å; C185-H203 VanDerWaalsContact SG-NE2 3.44Å; C190-H203 PolarHBondContact SG-NE2 3Å; C190-H203 VanDerWaalsContact SG-NE2 3.36Å; F194-H203 HydrophobicContact CE1-CB 3.78Å; F194-H203 HydrophobicContact CE2-CB 3.87Å; F194-H203 AromaticContact CE2-CD2 3.66Å; F194-H203 AromaticContact CE2-CG 3.75Å; F194-H203 HydrophobicContact CZ-CB 3.27Å; F194-H203 AromaticContact CZ-CD2 3.56Å; F194-H203 AromaticContact CZ-CG 3.18Å; F194-H203 AromaticContact CZ-ND1 3.64Å; D199-H203 VanDerWaalsContact O-CB 3.32Å; D199-H203 WeakPolarHBondContact O-CB 2.86Å; D199-H203 PolarHBondContact O-N 3.45Å; H203-I205 VanDerWaalsContact C-N 3.3Å; H203-I205 PolarHBondContact O-N 3.45Å; H203-T206 PolarHBondContact O-N 2.8Å; H203-T206 PolarHBondContact O-OG1 3.38Å; H203-V207 WeakPolarHBondContact ND1-CG2 3.3Å; H203-V207 WeakPolarHBondContact O-CA 3.39Å; H203-V207 VanDerWaalsContact O-CB 3.24Å; H203-V207 WeakPolarHBondContact O-CB 3.29Å; H203-V207 PolarHBondContact O-N 3.39Å; H203-H208 AromaticContact NE2-CD2 3.69Å; H203-H208 AromaticContact NE2-NE2 3.47Å; H203-H208 PolarHBondContact NE2-NE2 3.36Å
204Y89.5Confident89Confident22 Ų2270 Ų709%0.08638%0.378CS..Hα-helixtrans-69-30.4-175.4-173.6-108.2000112.9F186 V187 R200 R201 D202 H208 F210 F214F186-Y204 HydrophobicContact CB-CD2 4.03Å; F186-Y204 HydrophobicContact CB-CE1 4.5Å; F186-Y204 HydrophobicContact CB-CE2 3.61Å; F186-Y204 AromaticContact CD2-CD1 3.86Å; F186-Y204 HydrophobicContact CD2-CD1 3.86Å; F186-Y204 HydrophobicContact CD2-CD2 4.12Å; F186-Y204 HydrophobicContact CD2-CE1 4Å; F186-Y204 HydrophobicContact CD2-CE2 4.27Å; F186-Y204 AromaticContact CD2-CG 3.88Å; F186-Y204 HydrophobicContact CD2-CG 3.88Å; F186-Y204 HydrophobicContact CG-CE2 4.47Å; V187-Y204 HydrophobicContact CG2-CD2 4.05Å; V187-Y204 HydrophobicContact CG2-CE2 3.49Å; V187-Y204 VanDerWaalsContact CG2-CE2 3.49Å; R200-Y204 VanDerWaalsContact O-CB 3.29Å; R200-Y204 WeakPolarHBondContact O-CB 3.3Å; R200-Y204 PolarHBondContact O-N 3.08Å; R201-Y204 PolarHBondContact O-N 3.12Å; D202-Y204 PolarHBondContact O-N 2.83Å; Y204-H208 HydrophobicContact CD2-CB 4.01Å; Y204-H208 AromaticContact CD2-CD2 3.68Å; Y204-H208 HydrophobicContact CE2-CB 4.25Å; Y204-H208 CarbonylContact O-C 3.57Å; Y204-H208 WeakPolarHBondContact O-CB 3.4Å; Y204-H208 PolarHBondContact O-N 2.84Å; Y204-F210 HydrophobicContact CD1-CB 3.51Å; Y204-F210 HydrophobicContact CD1-CD1 4.28Å; Y204-F210 AromaticContact CD1-CD2 3.85Å; Y204-F210 HydrophobicContact CD1-CD2 3.85Å; Y204-F210 AromaticContact CD1-CG 3.61Å; Y204-F210 HydrophobicContact CD1-CG 3.61Å; Y204-F210 HydrophobicContact CD2-CD2 4.08Å; Y204-F210 HydrophobicContact CD2-CE2 4.4Å; Y204-F210 HydrophobicContact CE1-CB 3.34Å; Y204-F210 AromaticContact CE1-CD1 3.24Å; Y204-F210 HydrophobicContact CE1-CD1 3.24Å; Y204-F210 AromaticContact CE1-CD2 3.31Å; Y204-F210 HydrophobicContact CE1-CD2 3.31Å; Y204-F210 AromaticContact CE1-CE1 3.84Å; Y204-F210 HydrophobicContact CE1-CE1 3.84Å; Y204-F210 AromaticContact CE1-CE2 3.89Å; Y204-F210 HydrophobicContact CE1-CE2 3.89Å; Y204-F210 AromaticContact CE1-CG 2.95Å; Y204-F210 HydrophobicContact CE1-CG 2.95Å; Y204-F210 HydrophobicContact CE1-CZ 4.14Å; Y204-F210 AromaticContact CE2-CD2 3.55Å; Y204-F210 HydrophobicContact CE2-CD2 3.55Å; Y204-F210 AromaticContact CE2-CE2 3.52Å; Y204-F210 HydrophobicContact CE2-CE2 3.52Å; Y204-F210 HydrophobicContact CE2-CG 4.12Å; Y204-F210 HydrophobicContact CE2-CZ 4.07Å; Y204-F210 HydrophobicContact CG-CB 4.44Å; Y204-F210 HydrophobicContact CG-CD2 4.23Å; Y204-F210 HydrophobicContact CG-CG 4.43Å; Y204-F210 AromaticContact CZ-CD1 3.45Å; Y204-F210 VanDerWaalsContact CZ-CD1 3.45Å; Y204-F210 AromaticContact CZ-CD2 3.15Å; Y204-F210 AromaticContact CZ-CE1 3.52Å; Y204-F210 AromaticContact CZ-CE2 3.23Å; Y204-F210 AromaticContact CZ-CG 3.28Å; Y204-F210 AromaticContact CZ-CZ 3.43Å; Y204-F210 VanDerWaalsContact CZ-CZ 3.43Å; Y204-F210 PolarHBondContact O-N 3.36Å; Y204-F210 VanDerWaalsContact OH-CD1 3.26Å; Y204-F210 WeakPolarHBondContact OH-CD1 3.11Å; Y204-F210 WeakPolarHBondContact OH-CE1 3.49Å; Y204-F210 WeakPolarHBondContact OH-CE2 3.24Å; Y204-F210 WeakPolarHBondContact OH-CZ 3.5Å; Y204-F214 AromaticContact CE1-CD1 3.98Å; Y204-F214 HydrophobicContact CE1-CD1 3.98Å; Y204-F214 HydrophobicContact CE1-CE1 4.19Å
205I91.3Very high87.9Confident45 Ų4575.5 Ų75.523%0.23140%0.397CS..Hα-helixtrans-73-47.7172-66.8166.8000110.6R201 D202 H203 N209 P212R201-I205 HydrophobicContact CG-CD1 3.84Å; R201-I205 VanDerWaalsContact O-CG1 3.3Å; R201-I205 WeakPolarHBondContact O-CG1 3.11Å; R201-I205 PolarHBondContact O-N 3.36Å; D202-I205 PolarHBondContact O-N 3.47Å; H203-I205 VanDerWaalsContact C-N 3.3Å; H203-I205 PolarHBondContact O-N 3.45Å; I205-N209 WeakPolarHBondContact O-CA 3.34Å; I205-N209 PolarHBondContact O-N 3.36Å; I205-N209 VanDerWaalsContact O-N 3.08Å; I205-P212 HydrophobicContact CD1-CB 4.11Å
206T93.8Very high86.5Confident97 Ų9773.9 Ų73.960%0.59538%0.38SS*.Hα-helixtrans-79.2-37.9-171.554.60000113.9D202 H203D202-T206 WeakPolarHBondContact O-CB 3.17Å; D202-T206 VanDerWaalsContact O-CG2 3.28Å; D202-T206 WeakPolarHBondContact O-CG2 3.27Å; D202-T206 PolarHBondContact O-N 3.45Å; D202-T206 PolarHBondContact O-OG1 3.16Å; H203-T206 PolarHBondContact O-N 2.8Å; H203-T206 PolarHBondContact O-OG1 3.38Å
207V93.3Very high85Confident82 Ų8272 Ų7250%0.49737%0.37SS..THydrogen-bonded Turntrans-90.9-42-176.81790000111.3H203H203-V207 WeakPolarHBondContact ND1-CG2 3.3Å; H203-V207 WeakPolarHBondContact O-CA 3.39Å; H203-V207 VanDerWaalsContact O-CB 3.24Å; H203-V207 WeakPolarHBondContact O-CB 3.29Å; H203-V207 PolarHBondContact O-N 3.39Å
208H92.3Very high83.1Confident53 Ų5371.5 Ų71.525%0.24537%0.374CS..THydrogen-bonded Turntrans-99.12.3-177.9-61.3-66.4000113.7C185 V187 C190 H203 Y204 F210C185-H208 VanDerWaalsContact SG-CD2 3.58Å; C185-H208 PolarHBondContact SG-NE2 3.45Å; C185-H208 VanDerWaalsContact SG-NE2 3.41Å; V187-H208 HydrophobicContact CG2-CB 4.24Å; C190-H208 WeakPolarHBondContact CB-NE2 3.42Å; C190-H208 PolarHBondContact SG-NE2 3.41Å; H203-H208 AromaticContact NE2-CD2 3.69Å; H203-H208 AromaticContact NE2-NE2 3.47Å; H203-H208 PolarHBondContact NE2-NE2 3.36Å; Y204-H208 HydrophobicContact CD2-CB 4.01Å; Y204-H208 AromaticContact CD2-CD2 3.68Å; Y204-H208 HydrophobicContact CE2-CB 4.25Å; Y204-H208 CarbonylContact O-C 3.57Å; Y204-H208 WeakPolarHBondContact O-CB 3.4Å; Y204-H208 PolarHBondContact O-N 2.84Å; H208-F210 HydrophobicContact CB-CD2 3.58Å; H208-F210 HydrophobicContact CB-CE2 3.81Å; H208-F210 WeakPolarHBondContact O-CD2 3.32Å; H208-F210 PolarHBondContact O-N 3.41Å; H208-F210 VanDerWaalsContact O-N 3.16Å
209N89Confident80.7Confident136 Ų13676.8 Ų76.873%0.72739%0.385SS*.  trans54.831.4176.4-62.2-60.6000113.9I205I205-N209 WeakPolarHBondContact O-CA 3.34Å; I205-N209 PolarHBondContact O-N 3.36Å; I205-N209 VanDerWaalsContact O-N 3.08Å
210F84.6Confident77.9Confident62 Ų6281.1 Ų81.127%0.27241%0.408SS..  trans-72.4145.5174.9-85.6-100.2000111.1Y204 H208 F214Y204-F210 HydrophobicContact CD1-CB 3.51Å; Y204-F210 HydrophobicContact CD1-CD1 4.28Å; Y204-F210 AromaticContact CD1-CD2 3.85Å; Y204-F210 HydrophobicContact CD1-CD2 3.85Å; Y204-F210 AromaticContact CD1-CG 3.61Å; Y204-F210 HydrophobicContact CD1-CG 3.61Å; Y204-F210 HydrophobicContact CD2-CD2 4.08Å; Y204-F210 HydrophobicContact CD2-CE2 4.4Å; Y204-F210 HydrophobicContact CE1-CB 3.34Å; Y204-F210 AromaticContact CE1-CD1 3.24Å; Y204-F210 HydrophobicContact CE1-CD1 3.24Å; Y204-F210 AromaticContact CE1-CD2 3.31Å; Y204-F210 HydrophobicContact CE1-CD2 3.31Å; Y204-F210 AromaticContact CE1-CE1 3.84Å; Y204-F210 HydrophobicContact CE1-CE1 3.84Å; Y204-F210 AromaticContact CE1-CE2 3.89Å; Y204-F210 HydrophobicContact CE1-CE2 3.89Å; Y204-F210 AromaticContact CE1-CG 2.95Å; Y204-F210 HydrophobicContact CE1-CG 2.95Å; Y204-F210 HydrophobicContact CE1-CZ 4.14Å; Y204-F210 AromaticContact CE2-CD2 3.55Å; Y204-F210 HydrophobicContact CE2-CD2 3.55Å; Y204-F210 AromaticContact CE2-CE2 3.52Å; Y204-F210 HydrophobicContact CE2-CE2 3.52Å; Y204-F210 HydrophobicContact CE2-CG 4.12Å; Y204-F210 HydrophobicContact CE2-CZ 4.07Å; Y204-F210 HydrophobicContact CG-CB 4.44Å; Y204-F210 HydrophobicContact CG-CD2 4.23Å; Y204-F210 HydrophobicContact CG-CG 4.43Å; Y204-F210 AromaticContact CZ-CD1 3.45Å; Y204-F210 VanDerWaalsContact CZ-CD1 3.45Å; Y204-F210 AromaticContact CZ-CD2 3.15Å; Y204-F210 AromaticContact CZ-CE1 3.52Å; Y204-F210 AromaticContact CZ-CE2 3.23Å; Y204-F210 AromaticContact CZ-CG 3.28Å; Y204-F210 AromaticContact CZ-CZ 3.43Å; Y204-F210 VanDerWaalsContact CZ-CZ 3.43Å; Y204-F210 PolarHBondContact O-N 3.36Å; Y204-F210 VanDerWaalsContact OH-CD1 3.26Å; Y204-F210 WeakPolarHBondContact OH-CD1 3.11Å; Y204-F210 WeakPolarHBondContact OH-CE1 3.49Å; Y204-F210 WeakPolarHBondContact OH-CE2 3.24Å; Y204-F210 WeakPolarHBondContact OH-CZ 3.5Å; H208-F210 HydrophobicContact CB-CD2 3.58Å; H208-F210 HydrophobicContact CB-CE2 3.81Å; H208-F210 WeakPolarHBondContact O-CD2 3.32Å; H208-F210 PolarHBondContact O-N 3.41Å; H208-F210 VanDerWaalsContact O-N 3.16Å; F210-F214 HydrophobicContact CD1-CD1 4.01Å; F210-F214 HydrophobicContact CD1-CD2 4.29Å; F210-F214 HydrophobicContact CD1-CE1 4.13Å; F210-F214 HydrophobicContact CD1-CE2 4.42Å; F210-F214 HydrophobicContact CD1-CG 4.09Å; F210-F214 HydrophobicContact CD1-CZ 4.33Å; F210-F214 HydrophobicContact CE1-CE1 4.31Å; F210-F214 HydrophobicContact CE1-CE2 4.48Å; F210-F214 HydrophobicContact CE1-CZ 4.23Å
211P86.1Confident75Confident66 Ų6688.5 Ų88.543%0.42949%0.485SS..  trans-67.3141.6-178.428.1-32.3000110.1D213 F214P211-D213 WeakPolarHBondContact CB-OD1 3.26Å; P211-D213 PolarHBondContact O-N 2.88Å; P211-D213 VanDerWaalsContact O-N 3.14Å; P211-F214 HydrophobicContact CG-CB 4.12Å; P211-F214 WeakPolarHBondContact O-CB 3.46Å; P211-F214 PolarHBondContact O-N 3.38Å
212P79.2Confident74.3Confident88 Ų8889.1 Ų89.157%0.57149%0.494SS*.THydrogen-bonded Turntrans-67.8-16-170.426.8-35.4000113.5R201 I205R201-P212 PolarHBondContact NH2-O 3.37Å; I205-P212 HydrophobicContact CD1-CB 4.11Å
213D77.6Confident73.3Confident121 Ų12188.9 Ų88.965%0.64749%0.494SS*.THydrogen-bonded Turntrans-911173.465.5-33.1000113P211 R215P211-D213 WeakPolarHBondContact CB-OD1 3.26Å; P211-D213 PolarHBondContact O-N 2.88Å; P211-D213 VanDerWaalsContact O-N 3.14Å; D213-R215 WeakPolarHBondContact O-CG 3.32Å; D213-R215 PolarHBondContact O-N 2.9Å
214F71.9Confident72.1Confident87 Ų8792.7 Ų92.738%0.38252%0.516SS..  trans-60.6119.9177.6-169.5-105.9000111.2Y204 F210 P211Y204-F214 AromaticContact CE1-CD1 3.98Å; Y204-F214 HydrophobicContact CE1-CD1 3.98Å; Y204-F214 HydrophobicContact CE1-CE1 4.19Å; F210-F214 HydrophobicContact CD1-CD1 4.01Å; F210-F214 HydrophobicContact CD1-CD2 4.29Å; F210-F214 HydrophobicContact CD1-CE1 4.13Å; F210-F214 HydrophobicContact CD1-CE2 4.42Å; F210-F214 HydrophobicContact CD1-CG 4.09Å; F210-F214 HydrophobicContact CD1-CZ 4.33Å; F210-F214 HydrophobicContact CE1-CE1 4.31Å; F210-F214 HydrophobicContact CE1-CE2 4.48Å; F210-F214 HydrophobicContact CE1-CZ 4.23Å; P211-F214 HydrophobicContact CG-CB 4.12Å; P211-F214 WeakPolarHBondContact O-CB 3.46Å; P211-F214 PolarHBondContact O-N 3.38Å
215R69.3Low71.1Confident146 Ų14696.8 Ų96.855%0.55154%0.542SS*.  trans-125.6109.2177-58-66.6177.3-173.4-6109.6R201 D213 T218R201-R215 VanDerWaalsContact NH2-CZ 3.35Å; D213-R215 WeakPolarHBondContact O-CG 3.32Å; D213-R215 PolarHBondContact O-N 2.9Å; R215-T218 HydrophobicContact CB-CG2 4.27Å; R215-T218 WeakPolarHBondContact CB-OG1 3.41Å; R215-T218 HydrophobicContact CG-CG2 4.48Å
216Y63.2Low69.8Low44 Ų44100.1 Ų100.117%0.17356%0.561CS.*SBendtrans-85.1-25.3167.568.3-82.8000111.6L165 F186 R200 T218L165-Y216 HydrophobicContact CD2-CD2 4.49Å; F186-Y216 HydrophobicContact CD1-CD1 4.41Å; F186-Y216 AromaticContact CD1-CE1 3.97Å; F186-Y216 HydrophobicContact CD1-CE1 3.97Å; F186-Y216 HydrophobicContact CD2-CD1 4.44Å; F186-Y216 HydrophobicContact CD2-CE1 4.14Å; F186-Y216 HydrophobicContact CE1-CD1 4.1Å; F186-Y216 AromaticContact CE1-CE1 3.25Å; F186-Y216 HydrophobicContact CE1-CE1 3.25Å; F186-Y216 AromaticContact CE1-CE2 3.96Å; F186-Y216 HydrophobicContact CE1-CE2 3.96Å; F186-Y216 AromaticContact CE1-CZ 3.16Å; F186-Y216 WeakPolarHBondContact CE1-OH 3.34Å; F186-Y216 HydrophobicContact CE2-CD1 4.11Å; F186-Y216 AromaticContact CE2-CE1 3.44Å; F186-Y216 HydrophobicContact CE2-CE1 3.44Å; F186-Y216 VanDerWaalsContact CE2-CE1 3.44Å; F186-Y216 HydrophobicContact CG-CE1 4.39Å; F186-Y216 AromaticContact CZ-CD1 3.96Å; F186-Y216 HydrophobicContact CZ-CD1 3.96Å; F186-Y216 AromaticContact CZ-CE1 2.95Å; F186-Y216 HydrophobicContact CZ-CE1 2.95Å; F186-Y216 HydrophobicContact CZ-CE2 4.41Å; F186-Y216 AromaticContact CZ-CZ 3.24Å; F186-Y216 WeakPolarHBondContact CZ-OH 3.28Å; R200-Y216 PolarHBondContact NH2-OH 2.68Å; Y216-T218 VanDerWaalsContact C-N 3.33Å; Y216-T218 PolarHBondContact O-N 2.87Å
217D58.2Low68.3Low58 Ų58100.3 Ų100.331%0.3156%0.559SS.*SBendtrans-74.5-13.9-176.8-84.2-35.1000114.8
218T50Low66.5Low84 Ų84101.6 Ų101.652%0.51556%0.563SS.*  trans-101.136.9-171.250.40000115.2R215 Y216 N220R215-T218 HydrophobicContact CB-CG2 4.27Å; R215-T218 WeakPolarHBondContact CB-OG1 3.41Å; R215-T218 HydrophobicContact CG-CG2 4.48Å; Y216-T218 VanDerWaalsContact C-N 3.33Å; Y216-T218 PolarHBondContact O-N 2.87Å; T218-N220 VanDerWaalsContact C-N 3.27Å; T218-N220 PolarHBondContact O-N 3.32Å; T218-N220 VanDerWaalsContact O-N 3.07Å
219R41.7Very low64.5Low170 Ų170105.3 Ų105.364%0.64259%0.588SS**  trans-78.290.7155.2-96.9-176.6167.4175.2-4.9108.7
220N34.3Very low62.4Low150 Ų150102.8 Ų102.880%0.80258%0.576SS**  trans-49.6143.3166.4-76.3-21.3000111.4T218T218-N220 VanDerWaalsContact C-N 3.27Å; T218-N220 PolarHBondContact O-N 3.32Å; T218-N220 VanDerWaalsContact O-N 3.07Å
221G33.3Very low60.4Low157 Ų157106.5 Ų106.5100%1.61960%0.604SS**  trans71.90145.500000116.4

Retrieved 221 of 221 residues in 658.2 ms (Link to these results)