A0A077Z0P6_TRITR Loading...

Calcium uniporter protein

Mitochondrial inner membrane calcium uniporter that mediates calcium uptake into mitochondria. Mitochondrial calcium homeostasis plays key roles in cellular physiology and regulates cell bioenergetics, cytoplasmic calcium signals and activation of cell death pathways.

AlphaFold DB , UniProt , Accession A0A077Z0P6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 266 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
1M43.2Very low69.7Low132 Ų13276 Ų7665%0.6540%0.397SS*.  0126.90-66.8-164.5171.100109.9L8M1-L8 PolarHBondContact O-N 2.95Å
2L59.1Low70.7Confident81 Ų8180.1 Ų80.142%0.42441%0.409SS..EExtended strand (participates in β ladder)trans-92.9119169.7-83.8147.8000107.3F6 A7 L26 L68L2-F6 WeakPolarHBondContact CA-O 3.26Å; L2-A7 HydrophobicContact CD2-CB 4.34Å; L2-L26 HydrophobicContact CD2-CD1 3.58Å; L2-L68 HydrophobicContact CD1-CD1 4.45Å; L2-L68 HydrophobicContact CD2-CD1 3.83Å; L2-L68 HydrophobicContact CG-CD1 4.44Å
3Q53.8Low71.5Confident124 Ų12474.2 Ų74.258%0.57938%0.379SS*.EExtended strand (participates in β ladder)trans-133.7124.5171.6-76.3-175-10.800107.7G5 F6Q3-G5 PolarHBondContact O-N 2.84Å; Q3-F6 PolarHBondContact N-O 3.12Å; Q3-F6 VanDerWaalsContact N-O 3.13Å; Q3-F6 PolarHBondContact O-N 3.24Å
4N59.4Low71.7Confident138 Ų13874.2 Ų74.274%0.73839%0.386SS*.THydrogen-bonded Turntrans53.740.9169.3-57.3-11.4000115.7F6N4-F6 VanDerWaalsContact C-N 3.28Å; N4-F6 WeakPolarHBondContact O-CD2 3.25Å; N4-F6 WeakPolarHBondContact O-CE2 3.45Å; N4-F6 PolarHBondContact O-N 2.61Å
5G66.4Low71.9Confident51 Ų5174.1 Ų74.153%0.52640%0.395SS..THydrogen-bonded Turntrans80.73.7179.500000115.3Q3 L26Q3-G5 PolarHBondContact O-N 2.84Å; G5-L26 WeakPolarHBondContact O-CG 3.33Å
6F76.2Confident71.8Confident86 Ų8674.9 Ų74.938%0.37740%0.395SS..EExtended strand (participates in β ladder)trans-107.5145.8172.2-56.2-90.7000110.7L2 Q3 N4 V23 L24 Q25L2-F6 WeakPolarHBondContact CA-O 3.26Å; Q3-F6 PolarHBondContact N-O 3.12Å; Q3-F6 VanDerWaalsContact N-O 3.13Å; Q3-F6 PolarHBondContact O-N 3.24Å; N4-F6 VanDerWaalsContact C-N 3.28Å; N4-F6 WeakPolarHBondContact O-CD2 3.25Å; N4-F6 WeakPolarHBondContact O-CE2 3.45Å; N4-F6 PolarHBondContact O-N 2.61Å; F6-V23 HydrophobicContact CB-CG1 4.11Å; F6-V23 HydrophobicContact CD1-CG1 3.81Å; F6-V23 HydrophobicContact CG-CG1 4.24Å; F6-L24 VanDerWaalsContact CA-O 3.26Å; F6-L24 WeakPolarHBondContact CA-O 3.47Å; F6-Q25 HydrophobicContact CD1-CG 3.81Å; F6-Q25 HydrophobicContact CE1-CG 3.54Å
7A77.6Confident71.7Confident4 Ų476.8 Ų76.83%0.03342%0.416CS..EExtended strand (participates in β ladder)trans-112133.6169.100000110.5L2 L24 L26 L68L2-A7 HydrophobicContact CD2-CB 4.34Å; A7-L24 HydrophobicContact CB-CB 4.14Å; A7-L24 HydrophobicContact CB-CD1 4.19Å; A7-L24 PolarHBondContact N-O 3.11Å; A7-L24 VanDerWaalsContact O-CB 3.28Å; A7-L24 WeakPolarHBondContact O-CB 3.05Å; A7-L24 WeakPolarHBondContact O-CG 3.48Å; A7-L24 PolarHBondContact O-N 3.18Å; A7-L26 HydrophobicContact CB-CD2 4.12Å; A7-L68 HydrophobicContact CB-CD1 4.02Å; A7-L68 HydrophobicContact CB-CD2 4.04Å
8L80.9Confident72.2Confident71 Ų7180.3 Ų80.337%0.37243%0.429SS..EExtended strand (participates in β ladder)trans-96.5118.1176.8-64.7171.2000109.9M1 V23M1-L8 PolarHBondContact O-N 2.95Å; L8-V23 HydrophobicContact CD2-CB 4.45Å; L8-V23 HydrophobicContact CD2-CG1 4.49Å; L8-V23 HydrophobicContact CD2-CG2 3.81Å
9L83.2Confident72.7Confident11 Ų1181.7 Ų81.76%0.05843%0.433CS..EExtended strand (participates in β ladder)trans-103.7108.8173.2175.769000109.4F22 L24 L34 F72 I74 V83L9-F22 HydrophobicContact CB-CB 4.23Å; L9-F22 PolarHBondContact N-O 3.11Å; L9-F22 PolarHBondContact O-N 3.29Å; L9-L24 HydrophobicContact CB-CD1 3.94Å; L9-L34 HydrophobicContact CD2-CD1 4.37Å; L9-L34 HydrophobicContact CD2-CD2 4.15Å; L9-F72 HydrophobicContact CD1-CZ 4.16Å; L9-I74 HydrophobicContact CD1-CD1 4.18Å; L9-I74 HydrophobicContact CD2-CD1 4.35Å; L9-V83 HydrophobicContact CD1-CG1 4.18Å
10K83.6Confident73.2Confident132 Ų13278.9 Ų78.957%0.57442%0.419SS*.EExtended strand (participates in β ladder)trans-89.9117.1173.6-170.7175.1179.8178.20109.5H19 L21K10-H19 HydrophobicContact CD-CB 4.31Å; K10-H19 VanDerWaalsContact CE-CG 3.4Å; K10-H19 HydrophobicContact CG-CB 3.95Å; K10-L21 HydrophobicContact CB-CD2 3.7Å; K10-L21 HydrophobicContact CD-CD2 4.2Å; K10-L21 HydrophobicContact CG-CD2 3.78Å
11L82.8Confident73.8Confident6 Ų680.2 Ų80.23%0.03143%0.426CS..EExtended strand (participates in β ladder)trans-127.8136.4-177.2-167.668.2000110.1L13 H19 C20 F22 I38 I74 L76L11-L13 HydrophobicContact CD2-CD2 4.38Å; L11-H19 CarbonylContact O-C 3.58Å; L11-C20 PolarHBondContact N-O 3.47Å; L11-C20 PolarHBondContact O-N 2.89Å; L11-F22 HydrophobicContact CB-CD2 4.38Å; L11-F22 HydrophobicContact CB-CE2 4.22Å; L11-F22 HydrophobicContact CD2-CE2 4.23Å; L11-I38 HydrophobicContact CD2-CD1 4.38Å; L11-I38 HydrophobicContact CD2-CG2 4.38Å; L11-I74 HydrophobicContact CD1-CD1 3.9Å; L11-L76 HydrophobicContact CD1-CD1 4.06Å; L11-L76 HydrophobicContact CD2-CD1 3.92Å; L11-L76 HydrophobicContact CD2-CD2 4.14Å; L11-L76 HydrophobicContact CG-CD1 4.01Å
12K81.9Confident75.8Confident125 Ų12574.8 Ų74.854%0.54340%0.399SS..EExtended strand (participates in β ladder)trans-88.1116.4169.4-170.4175.8-177.9176.60108.3
13L81.3Confident76.9Confident4 Ų475 Ų752%0.02140%0.403CS..  trans-79.4149.2177.4-68.5167.5000109.8L11 C20 I38 E41 D42 L45L11-L13 HydrophobicContact CD2-CD2 4.38Å; L13-C20 HydrophobicContact CD1-CB 3.68Å; L13-C20 HydrophobicContact CG-CB 4.2Å; L13-I38 HydrophobicContact CD2-CG2 4.39Å; L13-E41 HydrophobicContact CD1-CB 4.39Å; L13-E41 HydrophobicContact CD1-CG 3.89Å; L13-D42 HydrophobicContact CD1-CB 4.34Å; L13-D42 HydrophobicContact CD2-CB 4.09Å; L13-L45 HydrophobicContact CD2-CD1 3.84Å
14P75.1Confident78.3Confident74 Ų7469.5 Ų69.548%0.48138%0.378SS..SBendtrans-71.1-33179.625.5-32.7000113.7D42 L45P14-D42 VanDerWaalsContact CD-OD2 3.25Å; P14-D42 WeakPolarHBondContact CD-OD2 3.35Å; P14-D42 WeakPolarHBondContact CG-OD2 3.47Å; P14-L45 HydrophobicContact CG-CD2 3.51Å; P14-L45 HydrophobicContact CG-CG 4.17Å
15S73.9Confident79.3Confident73 Ų7367.2 Ų67.251%0.5136%0.363SS..SBendtrans-77.7-32.5-178.9-172.40000113.3D42S15-D42 VanDerWaalsContact CB-CG 3.44Å; S15-D42 WeakPolarHBondContact CB-OD1 3.26Å; S15-D42 VanDerWaalsContact CB-OD2 3.26Å; S15-D42 WeakPolarHBondContact CB-OD2 3.4Å; S15-D42 PolarHBondContact N-OD2 2.88Å
16Q70.9Confident79.7Confident87 Ų8766.1 Ų66.141%0.40735%0.345SS..  trans-111.3132.6-176.8-63.8-177.24.300110.9E18Q16-E18 PolarHBondContact O-N 2.84Å; Q16-E18 VanDerWaalsContact O-N 3.12Å
17S70.3Confident79.5Confident107 Ų10771.2 Ų71.275%0.74837%0.37SS*.SBendtrans-66.8-11.5177.269.60000113.9
18E80.6Confident79.5Confident139 Ų13975.7 Ų75.765%0.6540%0.4SS*.SBendtrans-86.4158.5-176.3-59.1-171.7175.600112.9Q16Q16-E18 PolarHBondContact O-N 2.84Å; Q16-E18 VanDerWaalsContact O-N 3.12Å
19H81.1Confident79.7Confident107 Ų10774.1 Ų74.150%0.49539%0.391SS..EExtended strand (participates in β ladder)trans-89.6116.8173.1-69.9-77.8000109.8K10 L11K10-H19 HydrophobicContact CD-CB 4.31Å; K10-H19 VanDerWaalsContact CE-CG 3.4Å; K10-H19 HydrophobicContact CG-CB 3.95Å; L11-H19 CarbonylContact O-C 3.58Å
20C83.2Confident80Confident25 Ų2575.8 Ų75.817%0.16940%0.401CS..EExtended strand (participates in β ladder)trans-82.8137.8172.6-1720000110.5L11 L13 F22L11-C20 PolarHBondContact N-O 3.47Å; L11-C20 PolarHBondContact O-N 2.89Å; L13-C20 HydrophobicContact CD1-CB 3.68Å; L13-C20 HydrophobicContact CG-CB 4.2Å; C20-F22 HydrophobicContact CB-CE2 3.97Å; C20-F22 HydrophobicContact CB-CZ 4.36Å
21L85Confident80.2Confident108 Ų10869.5 Ų69.557%0.56537%0.374SS*.EExtended strand (participates in β ladder)trans-106.2113.6177.4-69.4169.2000109.3K10K10-L21 HydrophobicContact CB-CD2 3.7Å; K10-L21 HydrophobicContact CD-CD2 4.2Å; K10-L21 HydrophobicContact CG-CD2 3.78Å
22F84.8Confident80.4Confident18 Ų1869.6 Ų69.68%0.07938%0.376CS..EExtended strand (participates in β ladder)trans-95.9124.4173.4-64.5-85.1000110L9 L11 C20 L34 I38 E41L9-F22 HydrophobicContact CB-CB 4.23Å; L9-F22 PolarHBondContact N-O 3.11Å; L9-F22 PolarHBondContact O-N 3.29Å; L11-F22 HydrophobicContact CB-CD2 4.38Å; L11-F22 HydrophobicContact CB-CE2 4.22Å; L11-F22 HydrophobicContact CD2-CE2 4.23Å; C20-F22 HydrophobicContact CB-CE2 3.97Å; C20-F22 HydrophobicContact CB-CZ 4.36Å; F22-L34 HydrophobicContact CB-CD1 4.28Å; F22-L34 HydrophobicContact CG-CD1 4.46Å; F22-I38 HydrophobicContact CD1-CG1 4.3Å; F22-I38 HydrophobicContact CD2-CG1 4.39Å; F22-I38 HydrophobicContact CE1-CG1 3.89Å; F22-I38 HydrophobicContact CE2-CG1 3.99Å; F22-I38 HydrophobicContact CZ-CB 4.28Å; F22-I38 HydrophobicContact CZ-CG1 3.72Å; F22-E41 HydrophobicContact CE1-CB 4.44Å; F22-E41 HydrophobicContact CZ-CB 4.27Å; F22-E41 HydrophobicContact CZ-CG 4.46Å
23V84Confident80.7Confident84 Ų8465.9 Ų65.951%0.50936%0.362SS..EExtended strand (participates in β ladder)trans-91.9117.7175.2-173.70000109.1F6 L8F6-V23 HydrophobicContact CB-CG1 4.11Å; F6-V23 HydrophobicContact CD1-CG1 3.81Å; F6-V23 HydrophobicContact CG-CG1 4.24Å; L8-V23 HydrophobicContact CD2-CB 4.45Å; L8-V23 HydrophobicContact CD2-CG1 4.49Å; L8-V23 HydrophobicContact CD2-CG2 3.81Å
24L82.1Confident81Confident10 Ų1065.8 Ų65.85%0.05236%0.362CS..EExtended strand (participates in β ladder)trans-103.8126.4-174.9-57.6169.1000110.5F6 A7 L9 L34 V64F6-L24 VanDerWaalsContact CA-O 3.26Å; F6-L24 WeakPolarHBondContact CA-O 3.47Å; A7-L24 HydrophobicContact CB-CB 4.14Å; A7-L24 HydrophobicContact CB-CD1 4.19Å; A7-L24 PolarHBondContact N-O 3.11Å; A7-L24 VanDerWaalsContact O-CB 3.28Å; A7-L24 WeakPolarHBondContact O-CB 3.05Å; A7-L24 WeakPolarHBondContact O-CG 3.48Å; A7-L24 PolarHBondContact O-N 3.18Å; L9-L24 HydrophobicContact CB-CD1 3.94Å; L24-L34 HydrophobicContact CD2-CB 4.3Å; L24-L34 HydrophobicContact CD2-CD1 3.38Å; L24-L34 HydrophobicContact CD2-CD2 3.77Å; L24-L34 HydrophobicContact CD2-CG 3.98Å; L24-V64 HydrophobicContact CB-CG1 3.95Å; L24-V64 HydrophobicContact CD1-CG1 3.71Å; L24-V64 HydrophobicContact CD2-CG1 4.09Å; L24-V64 HydrophobicContact CG-CG1 4.12Å
25Q81.6Confident81.7Confident89 Ų8964 Ų6442%0.41635%0.347SS..EExtended strand (participates in β ladder)trans-91108.7172.9-76.1175.6-15.400110.5F6 Q27 C28 Q29F6-Q25 HydrophobicContact CD1-CG 3.81Å; F6-Q25 HydrophobicContact CE1-CG 3.54Å; Q25-Q27 VanDerWaalsContact C-N 3.31Å; Q25-Q27 PolarHBondContact O-N 2.95Å; Q25-C28 PolarHBondContact O-N 3.02Å; Q25-Q29 HydrophobicContact CB-CG 4.05Å; Q25-Q29 WeakPolarHBondContact O-CB 3.28Å; Q25-Q29 PolarHBondContact O-N 2.92Å; Q25-Q29 VanDerWaalsContact O-N 3.13Å
26L73.8Confident82.4Confident29 Ų2967.9 Ų67.915%0.15235%0.35CS..THydrogen-bonded Turntrans-67-28.1-170.1-65.7174.2000114.4L2 G5 A7 V64 T65 L68L2-L26 HydrophobicContact CD2-CD1 3.58Å; G5-L26 WeakPolarHBondContact O-CG 3.33Å; A7-L26 HydrophobicContact CB-CD2 4.12Å; L26-V64 HydrophobicContact CD2-CG1 4.44Å; L26-T65 HydrophobicContact CB-CG2 3.76Å; L26-T65 HydrophobicContact CD2-CG2 4.01Å; L26-T65 HydrophobicContact CG-CG2 4.43Å; L26-T65 WeakPolarHBondContact O-CG2 3.48Å; L26-L68 HydrophobicContact CD1-CD1 3.92Å; L26-L68 HydrophobicContact CD2-CD1 3.41Å; L26-L68 VanDerWaalsContact CD2-CD1 3.41Å; L26-L68 HydrophobicContact CD2-CG 4.37Å; L26-L68 HydrophobicContact CG-CD1 4.32Å
27Q71.7Confident83.2Confident192 Ų19266.6 Ų66.690%0.89735%0.346SS*.THydrogen-bonded Turntrans-88.6-19.9-177-66.9-171.3-18.100114.3Q25Q25-Q27 VanDerWaalsContact C-N 3.31Å; Q25-Q27 PolarHBondContact O-N 2.95Å
28C77.3Confident83.9Confident99 Ų9961.5 Ų61.567%0.66931%0.311SS*.THydrogen-bonded Turntrans-124.6-16.9-167.9-60.60000114.8Q25Q25-C28 PolarHBondContact O-N 3.02Å
29Q85.5Confident84.2Confident38 Ų3857.6 Ų57.618%0.17829%0.294CS..  trans-101.7140.4-174-73.1179.10.100113.4Q25 V64Q25-Q29 HydrophobicContact CB-CG 4.05Å; Q25-Q29 WeakPolarHBondContact O-CB 3.28Å; Q25-Q29 PolarHBondContact O-N 2.92Å; Q25-Q29 VanDerWaalsContact O-N 3.13Å; Q29-V64 HydrophobicContact CB-CG2 4.1Å; Q29-V64 WeakPolarHBondContact O-CG2 3.49Å; Q29-V64 PolarHBondContact O-N 2.91Å
30T89.1Confident84.5Confident46 Ų4660.2 Ų60.228%0.28230%0.304SS..BIsolated β-bridgetrans-95.7160169.664.90000111G32 D33 L34 S62T30-G32 PolarHBondContact O-N 2.89Å; T30-D33 PolarHBondContact N-OD2 2.82Å; T30-D33 PolarHBondContact O-N 3.08Å; T30-D33 VanDerWaalsContact OG1-CG 3.27Å; T30-D33 PolarHBondContact OG1-N 3.22Å; T30-D33 PolarHBondContact OG1-OD2 3.18Å; T30-L34 PolarHBondContact O-N 2.84Å; T30-L34 VanDerWaalsContact O-N 3.16Å; T30-S62 WeakPolarHBondContact CA-O 3.36Å
31I88Confident84.6Confident0 Ų063.8 Ų63.80%032%0.318CS..Hα-helixtrans-61-29.2174.7-67.7175.5000111.1L34 K35 F50 I58 S62 V64 L67I31-L34 PolarHBondContact O-N 2.87Å; I31-K35 WeakPolarHBondContact O-CB 3.45Å; I31-K35 PolarHBondContact O-N 2.96Å; I31-F50 HydrophobicContact CG2-CD2 3.34Å; I31-F50 HydrophobicContact CG2-CE2 3.69Å; I31-F50 HydrophobicContact CG2-CG 4.07Å; I31-I58 HydrophobicContact CD1-CB 4.32Å; I31-I58 HydrophobicContact CD1-CG2 3.36Å; I31-S62 WeakPolarHBondContact CG1-O 3.49Å; I31-S62 PolarHBondContact N-O 3.47Å; I31-V64 HydrophobicContact CG1-CG2 4.31Å; I31-L67 HydrophobicContact CD1-CD1 4.01Å; I31-L67 HydrophobicContact CD1-CD2 4.05Å; I31-L67 HydrophobicContact CD1-CG 3.76Å; I31-L67 HydrophobicContact CG1-CD1 3.94Å; I31-L67 HydrophobicContact CG1-CG 4.2Å
32G87.7Confident84.5Confident8 Ų859 Ų598%0.08229%0.293CS..Hα-helixtrans-63.3-38.7172.700000112.9T30 K35 R36 D60T30-G32 PolarHBondContact O-N 2.89Å; G32-K35 PolarHBondContact O-N 3.38Å; G32-R36 VanDerWaalsContact O-CG 3.29Å; G32-R36 WeakPolarHBondContact O-CG 3.49Å; G32-R36 PolarHBondContact O-N 3.35Å; G32-D60 WeakPolarHBondContact CA-O 3.41Å; G32-D60 PolarHBondContact N-O 2.94Å
33D88.9Confident84.3Confident46 Ų4665.7 Ų65.725%0.24633%0.33CS..Hα-helixtrans-69.4-41175-59-44.5000111.3T30 K35 R36 N37T30-D33 PolarHBondContact N-OD2 2.82Å; T30-D33 PolarHBondContact O-N 3.08Å; T30-D33 VanDerWaalsContact OG1-CG 3.27Å; T30-D33 PolarHBondContact OG1-N 3.22Å; T30-D33 PolarHBondContact OG1-OD2 3.18Å; D33-K35 VanDerWaalsContact C-N 3.35Å; D33-K35 PolarHBondContact O-N 2.93Å; D33-R36 PolarHBondContact O-N 3.23Å; D33-R36 IonicContact OD1-CZ 2.66Å; D33-R36 IonicContact OD1-NH1 3.85Å; D33-R36 PolarHBondContact OD1-NH1 3.13Å; D33-N37 VanDerWaalsContact O-CG 3.23Å; D33-N37 PolarHBondContact O-N 3.03Å; D33-N37 PolarHBondContact O-ND2 3.32Å; D33-N37 PolarHBondContact O-OD1 3.39Å
34L87.7Confident84.1Confident2 Ų264.9 Ų64.91%0.0133%0.325CS..Hα-helixtrans-59-46.6172.5175.656.6000111.5L9 F22 L24 T30 I31 R36 N37 I38 F50 L67L9-L34 HydrophobicContact CD2-CD1 4.37Å; L9-L34 HydrophobicContact CD2-CD2 4.15Å; F22-L34 HydrophobicContact CB-CD1 4.28Å; F22-L34 HydrophobicContact CG-CD1 4.46Å; L24-L34 HydrophobicContact CD2-CB 4.3Å; L24-L34 HydrophobicContact CD2-CD1 3.38Å; L24-L34 HydrophobicContact CD2-CD2 3.77Å; L24-L34 HydrophobicContact CD2-CG 3.98Å; T30-L34 PolarHBondContact O-N 2.84Å; T30-L34 VanDerWaalsContact O-N 3.16Å; I31-L34 PolarHBondContact O-N 2.87Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 2.89Å; L34-N37 PolarHBondContact O-N 3.35Å; L34-N37 VanDerWaalsContact O-N 3.15Å; L34-I38 HydrophobicContact CD1-CD1 3.94Å; L34-I38 HydrophobicContact CD1-CG1 4.15Å; L34-I38 HydrophobicContact CG-CD1 3.94Å; L34-I38 WeakPolarHBondContact O-CG1 3.27Å; L34-I38 PolarHBondContact O-N 2.88Å; L34-F50 HydrophobicContact CD2-CE1 3.93Å; L34-F50 HydrophobicContact CD2-CE2 4.29Å; L34-F50 HydrophobicContact CD2-CZ 3.51Å; L34-F50 HydrophobicContact CG-CE2 4.48Å; L34-F50 HydrophobicContact CG-CZ 3.88Å; L34-L67 HydrophobicContact CD2-CD1 4.12Å
35K88.6Confident84Confident38 Ų3864.9 Ų64.917%0.16533%0.325CS..Hα-helixtrans-59.2-43.2176.8177.9178.6170.7-172.80111.8I31 G32 D33 N37 I38 L39 V48 F50 D60I31-K35 WeakPolarHBondContact O-CB 3.45Å; I31-K35 PolarHBondContact O-N 2.96Å; G32-K35 PolarHBondContact O-N 3.38Å; D33-K35 VanDerWaalsContact C-N 3.35Å; D33-K35 PolarHBondContact O-N 2.93Å; K35-N37 VanDerWaalsContact C-N 3.34Å; K35-I38 PolarHBondContact O-N 3.01Å; K35-L39 HydrophobicContact CG-CD1 4.03Å; K35-L39 WeakPolarHBondContact O-CB 3.46Å; K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.24Å; K35-L39 PolarHBondContact O-N 3.46Å; K35-V48 WeakPolarHBondContact CE-O 3.3Å; K35-V48 HydrophobicContact CG-CB 4.22Å; K35-F50 HydrophobicContact CB-CE2 4.44Å; K35-D60 IonicContact NZ-OD1 3.62Å; K35-D60 IonicContact NZ-OD2 2.87Å; K35-D60 PolarHBondContact NZ-OD2 2.91Å
36R88.1Confident83.8Confident153 Ų15369.2 Ų69.258%0.57735%0.345SS*.Hα-helixtrans-62.5-40.1174.6-72.2168.9-172.9158.8-3.5111.8G32 D33 L34 L39 K40G32-R36 VanDerWaalsContact O-CG 3.29Å; G32-R36 WeakPolarHBondContact O-CG 3.49Å; G32-R36 PolarHBondContact O-N 3.35Å; D33-R36 PolarHBondContact O-N 3.23Å; D33-R36 IonicContact OD1-CZ 2.66Å; D33-R36 IonicContact OD1-NH1 3.85Å; D33-R36 PolarHBondContact OD1-NH1 3.13Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 2.89Å; R36-L39 PolarHBondContact O-N 2.96Å; R36-K40 WeakPolarHBondContact O-CB 3.4Å; R36-K40 VanDerWaalsContact O-CG 3.27Å; R36-K40 WeakPolarHBondContact O-CG 3.18Å; R36-K40 PolarHBondContact O-N 3.39Å
37N87.4Confident84.1Confident61 Ų6171.1 Ų71.133%0.32636%0.361SS..Hα-helixtrans-66.5-40.8178-67.6-14.9000111.4D33 L34 K35 K40 E41D33-N37 VanDerWaalsContact O-CG 3.23Å; D33-N37 PolarHBondContact O-N 3.03Å; D33-N37 PolarHBondContact O-ND2 3.32Å; D33-N37 PolarHBondContact O-OD1 3.39Å; L34-N37 PolarHBondContact O-N 3.35Å; L34-N37 VanDerWaalsContact O-N 3.15Å; K35-N37 VanDerWaalsContact C-N 3.34Å; N37-K40 PolarHBondContact O-N 3.28Å; N37-E41 PolarHBondContact O-N 2.88Å
38I86.4Confident84.8Confident0 Ų062 Ų620%032%0.318CS..Hα-helixtrans-65.7-43175.9-64165.4000111.1L11 L13 F22 L34 K35 K40 E41 D42 L45 V48 F50 L76L11-I38 HydrophobicContact CD2-CD1 4.38Å; L11-I38 HydrophobicContact CD2-CG2 4.38Å; L13-I38 HydrophobicContact CD2-CG2 4.39Å; F22-I38 HydrophobicContact CD1-CG1 4.3Å; F22-I38 HydrophobicContact CD2-CG1 4.39Å; F22-I38 HydrophobicContact CE1-CG1 3.89Å; F22-I38 HydrophobicContact CE2-CG1 3.99Å; F22-I38 HydrophobicContact CZ-CB 4.28Å; F22-I38 HydrophobicContact CZ-CG1 3.72Å; L34-I38 HydrophobicContact CD1-CD1 3.94Å; L34-I38 HydrophobicContact CD1-CG1 4.15Å; L34-I38 HydrophobicContact CG-CD1 3.94Å; L34-I38 WeakPolarHBondContact O-CG1 3.27Å; L34-I38 PolarHBondContact O-N 2.88Å; K35-I38 PolarHBondContact O-N 3.01Å; I38-K40 VanDerWaalsContact C-N 3.27Å; I38-K40 PolarHBondContact O-N 2.9Å; I38-E41 PolarHBondContact O-N 2.8Å; I38-D42 PolarHBondContact O-N 2.77Å; I38-L45 HydrophobicContact CG2-CD1 3.6Å; I38-V48 HydrophobicContact CD1-CG1 4.23Å; I38-V48 HydrophobicContact CG2-CG1 4.4Å; I38-V48 HydrophobicContact CG2-CG2 3.85Å; I38-F50 HydrophobicContact CD1-CZ 3.84Å; I38-L76 HydrophobicContact CG2-CD2 4.39Å
39L86.7Confident85.3Confident57 Ų5757.9 Ų57.930%0.29829%0.291SS..Hα-helixtrans-66.5-26.5177.6-73.4168.2000113.3K35 R36 L45 V48K35-L39 HydrophobicContact CG-CD1 4.03Å; K35-L39 WeakPolarHBondContact O-CB 3.46Å; K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.24Å; K35-L39 PolarHBondContact O-N 3.46Å; R36-L39 PolarHBondContact O-N 2.96Å; L39-L45 HydrophobicContact CD2-CB 4.12Å; L39-L45 VanDerWaalsContact CD2-O 3.24Å; L39-L45 WeakPolarHBondContact CD2-O 3.46Å; L39-V48 HydrophobicContact CD2-CG2 4.05Å; L39-V48 HydrophobicContact CG-CG2 4.3Å
40K86.6Confident85.4Confident162 Ų16256.2 Ų56.270%0.70428%0.283SS*.Hα-helixtrans-78.2-25175.9-78.9177.4179.4-175.70113.4R36 N37 I38R36-K40 WeakPolarHBondContact O-CB 3.4Å; R36-K40 VanDerWaalsContact O-CG 3.27Å; R36-K40 WeakPolarHBondContact O-CG 3.18Å; R36-K40 PolarHBondContact O-N 3.39Å; N37-K40 PolarHBondContact O-N 3.28Å; I38-K40 VanDerWaalsContact C-N 3.27Å; I38-K40 PolarHBondContact O-N 2.9Å
41E85.6Confident85.3Confident100 Ų10056.6 Ų56.647%0.46728%0.28SS..Hα-helixtrans-83.9-27.7-176.6-162.363.4-148.700112.3L13 F22 N37 I38L13-E41 HydrophobicContact CD1-CB 4.39Å; L13-E41 HydrophobicContact CD1-CG 3.89Å; F22-E41 HydrophobicContact CE1-CB 4.44Å; F22-E41 HydrophobicContact CZ-CB 4.27Å; F22-E41 HydrophobicContact CZ-CG 4.46Å; N37-E41 PolarHBondContact O-N 2.88Å; I38-E41 PolarHBondContact O-N 2.8Å
42D82.7Confident85.2Confident6 Ų658 Ų583%0.03229%0.287CS..  trans-134.7104.5-178.8-170.7-10.3000111.3L13 P14 S15 I38 T44 L45L13-D42 HydrophobicContact CD1-CB 4.34Å; L13-D42 HydrophobicContact CD2-CB 4.09Å; P14-D42 VanDerWaalsContact CD-OD2 3.25Å; P14-D42 WeakPolarHBondContact CD-OD2 3.35Å; P14-D42 WeakPolarHBondContact CG-OD2 3.47Å; S15-D42 VanDerWaalsContact CB-CG 3.44Å; S15-D42 WeakPolarHBondContact CB-OD1 3.26Å; S15-D42 VanDerWaalsContact CB-OD2 3.26Å; S15-D42 WeakPolarHBondContact CB-OD2 3.4Å; S15-D42 PolarHBondContact N-OD2 2.88Å; I38-D42 PolarHBondContact O-N 2.77Å; D42-T44 PolarHBondContact O-N 2.81Å; D42-T44 VanDerWaalsContact O-N 3.11Å; D42-T44 WeakPolarHBondContact OD1-CB 3.22Å; D42-T44 PolarHBondContact OD1-N 3.13Å; D42-T44 PolarHBondContact OD1-OG1 2.74Å; D42-T44 PolarHBondContact OD2-OG1 2.79Å; D42-L45 HydrophobicContact CB-CD1 3.84Å; D42-L45 HydrophobicContact CB-CG 3.94Å; D42-L45 WeakPolarHBondContact O-CB 3.37Å; D42-L45 PolarHBondContact O-N 3.42Å; D42-L45 VanDerWaalsContact O-N 3.11Å
43D80Confident84.9Confident160 Ų16060.9 Ų60.986%0.85630%0.303SS*.THydrogen-bonded Turntrans-60.6-18.1177.6-71.3-28000113.2L45D43-L45 VanDerWaalsContact C-N 3.32Å
44T81.1Confident84.6Confident67 Ų6764 Ų6441%0.41132%0.32SS..THydrogen-bonded Turntrans-81.3-11.517972.80000113.3D42 Q46 N77D42-T44 PolarHBondContact O-N 2.81Å; D42-T44 VanDerWaalsContact O-N 3.11Å; D42-T44 WeakPolarHBondContact OD1-CB 3.22Å; D42-T44 PolarHBondContact OD1-N 3.13Å; D42-T44 PolarHBondContact OD1-OG1 2.74Å; D42-T44 PolarHBondContact OD2-OG1 2.79Å; T44-Q46 PolarHBondContact O-N 3.09Å; T44-N77 PolarHBondContact O-ND2 3.41Å; T44-N77 VanDerWaalsContact O-ND2 3.08Å
45L78.6Confident84.3Confident10 Ų1069.1 Ų69.15%0.05235%0.347CS..  trans-81.8110.4178.6-70177.8000110.8L13 P14 I38 L39 D42 D43 V48 L76L13-L45 HydrophobicContact CD2-CD1 3.84Å; P14-L45 HydrophobicContact CG-CD2 3.51Å; P14-L45 HydrophobicContact CG-CG 4.17Å; I38-L45 HydrophobicContact CG2-CD1 3.6Å; L39-L45 HydrophobicContact CD2-CB 4.12Å; L39-L45 VanDerWaalsContact CD2-O 3.24Å; L39-L45 WeakPolarHBondContact CD2-O 3.46Å; D42-L45 HydrophobicContact CB-CD1 3.84Å; D42-L45 HydrophobicContact CB-CG 3.94Å; D42-L45 WeakPolarHBondContact O-CB 3.37Å; D42-L45 PolarHBondContact O-N 3.42Å; D42-L45 VanDerWaalsContact O-N 3.11Å; D43-L45 VanDerWaalsContact C-N 3.32Å; L45-V48 HydrophobicContact CB-CG2 4.4Å; L45-V48 HydrophobicContact CD1-CG2 4.11Å; L45-L76 HydrophobicContact CD1-CD2 4.29Å; L45-L76 HydrophobicContact CD2-CB 3.96Å; L45-L76 HydrophobicContact CD2-CD2 4.27Å
46Q77.5Confident84.2Confident180 Ų18073.3 Ų73.384%0.84137%0.367SS*.SBendtrans-87.4-30.1175.4-66.8-177.5-6.500112.1T44 N77T44-Q46 PolarHBondContact O-N 3.09Å; Q46-N77 PolarHBondContact N-OD1 3.12Å
47S81.4Confident84.2Confident69 Ų6973.5 Ų73.548%0.48337%0.368SS..  trans-149.4126.9-177.5-1720000112N77S47-N77 PolarHBondContact N-OD1 2.91Å; S47-N77 PolarHBondContact O-N 2.85Å
48V85.2Confident84.2Confident1 Ų171.3 Ų71.31%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-120.5124.1173.4179.70000108K35 I38 L39 L45 F50 R75 L76K35-V48 WeakPolarHBondContact CE-O 3.3Å; K35-V48 HydrophobicContact CG-CB 4.22Å; I38-V48 HydrophobicContact CD1-CG1 4.23Å; I38-V48 HydrophobicContact CG2-CG1 4.4Å; I38-V48 HydrophobicContact CG2-CG2 3.85Å; L39-V48 HydrophobicContact CD2-CG2 4.05Å; L39-V48 HydrophobicContact CG-CG2 4.3Å; L45-V48 HydrophobicContact CB-CG2 4.4Å; L45-V48 HydrophobicContact CD1-CG2 4.11Å; V48-F50 HydrophobicContact CG1-CE2 4.16Å; V48-F50 HydrophobicContact CG1-CZ 4.37Å; V48-R75 WeakPolarHBondContact CA-O 3.29Å; V48-L76 HydrophobicContact CG1-CD2 4.09Å; V48-L76 HydrophobicContact CG2-CD2 3.92Å
49A87.9Confident84.3Confident11 Ų1173.7 Ų73.79%0.09138%0.376CS..EExtended strand (participates in β ladder)trans-137.3138.3177.100000111.1Y51 R75A49-Y51 HydrophobicContact CB-CD2 4.39Å; A49-Y51 HydrophobicContact CB-CE2 3.66Å; A49-R75 PolarHBondContact N-O 3.2Å; A49-R75 VanDerWaalsContact N-O 3.13Å; A49-R75 PolarHBondContact O-N 2.87Å
50F88Confident84.4Confident4 Ų473.9 Ų73.92%0.01838%0.377CS..EExtended strand (participates in β ladder)trans-99.6132.4175.7-61.3-90000109.4I31 L34 K35 I38 V48 I58 L67 F72 I74I31-F50 HydrophobicContact CG2-CD2 3.34Å; I31-F50 HydrophobicContact CG2-CE2 3.69Å; I31-F50 HydrophobicContact CG2-CG 4.07Å; L34-F50 HydrophobicContact CD2-CE1 3.93Å; L34-F50 HydrophobicContact CD2-CE2 4.29Å; L34-F50 HydrophobicContact CD2-CZ 3.51Å; L34-F50 HydrophobicContact CG-CE2 4.48Å; L34-F50 HydrophobicContact CG-CZ 3.88Å; K35-F50 HydrophobicContact CB-CE2 4.44Å; I38-F50 HydrophobicContact CD1-CZ 3.84Å; V48-F50 HydrophobicContact CG1-CE2 4.16Å; V48-F50 HydrophobicContact CG1-CZ 4.37Å; F50-I58 HydrophobicContact CB-CB 4.37Å; F50-I58 HydrophobicContact CB-CD1 4.22Å; F50-I58 PolarHBondContact O-N 2.89Å; F50-L67 HydrophobicContact CB-CD2 4.25Å; F50-L67 HydrophobicContact CD1-CD1 4.06Å; F50-L67 HydrophobicContact CD1-CD2 4.18Å; F50-L67 HydrophobicContact CE1-CD1 4.2Å; F50-L67 HydrophobicContact CG-CD2 4.43Å; F50-F72 HydrophobicContact CD1-CD2 4.03Å; F50-F72 AromaticContact CD1-CE2 3.82Å; F50-F72 HydrophobicContact CD1-CE2 3.82Å; F50-F72 HydrophobicContact CE1-CE2 4.1Å; F50-I74 HydrophobicContact CD1-CD1 4.33Å; F50-I74 HydrophobicContact CD1-CG1 3.86Å; F50-I74 HydrophobicContact CE1-CD1 3.88Å; F50-I74 HydrophobicContact CE1-CG1 3.9Å; F50-I74 HydrophobicContact CE1-CG2 4.36Å
51Y87.6Confident84.5Confident53 Ų5370.8 Ų70.821%0.20838%0.376CS..EExtended strand (participates in β ladder)trans-126.1147.2179.9-64.9-90.7000110.8A49 N55 Q56 R57 F72 K73 R75A49-Y51 HydrophobicContact CB-CD2 4.39Å; A49-Y51 HydrophobicContact CB-CE2 3.66Å; Y51-N55 WeakPolarHBondContact CD1-O 3.32Å; Y51-Q56 CarbonylContact C-O 3.25Å; Y51-Q56 WeakPolarHBondContact CA-O 3.44Å; Y51-R57 HydrophobicContact CD1-CB 4.07Å; Y51-R57 HydrophobicContact CE1-CB 3.92Å; Y51-F72 CarbonylContact O-C 3.6Å; Y51-F72 WeakPolarHBondContact O-CA 3.41Å; Y51-F72 WeakPolarHBondContact O-CB 3.46Å; Y51-K73 PolarHBondContact N-O 2.92Å; Y51-K73 PolarHBondContact O-N 2.82Å; Y51-R75 HydrophobicContact CD2-CB 4.08Å; Y51-R75 HydrophobicContact CE2-CB 3.66Å; Y51-R75 HydrophobicContact CE2-CG 4.44Å
52L85.6Confident84.6Confident31 Ų3167.4 Ų67.416%0.16236%0.364CS..EExtended strand (participates in β ladder)trans-72.2167.6168.2-157.865.6000110.7D54 N55 Q56 S70L52-D54 PolarHBondContact O-N 3.36Å; L52-D54 VanDerWaalsContact O-N 3.1Å; L52-N55 PolarHBondContact O-N 3Å; L52-Q56 HydrophobicContact CB-CB 4.37Å; L52-Q56 PolarHBondContact N-O 2.83Å; L52-S70 VanDerWaalsContact CD1-OG 3.27Å; L52-S70 WeakPolarHBondContact CD1-OG 2.96Å
53T81.2Confident84.8Confident68 Ų6870.3 Ų70.342%0.41738%0.383SS..THydrogen-bonded Turntrans-47.5-36.9169.244.10000112.5N55 N71 K73T53-N55 PolarHBondContact O-N 3.26Å; T53-N71 HydrophobicContact CG2-CB 4.16Å; T53-N71 WeakPolarHBondContact CG2-O 3.16Å; T53-K73 PolarHBondContact O-NZ 3.1Å; T53-K73 VanDerWaalsContact O-NZ 3.09Å
54D83.1Confident85Confident110 Ų11062.7 Ų62.759%0.58834%0.342SS*.THydrogen-bonded Turntrans-82.815.7-176.3-53.8-10.7000113.1L52 Q56L52-D54 PolarHBondContact O-N 3.36Å; L52-D54 VanDerWaalsContact O-N 3.1Å; D54-Q56 HydrophobicContact CB-CG 4.48Å; D54-Q56 PolarHBondContact O-N 3.41Å; D54-Q56 VanDerWaalsContact O-N 3.1Å
55N81Confident85Confident111 Ų11162.2 Ų62.259%0.59434%0.339SS*.SBendtrans59.516.2-177.8-64.2-18.7000115Y51 L52 T53 K73Y51-N55 WeakPolarHBondContact CD1-O 3.32Å; L52-N55 PolarHBondContact O-N 3Å; T53-N55 PolarHBondContact O-N 3.26Å; N55-K73 PolarHBondContact OD1-NZ 3.01Å
56Q86.6Confident85.2Confident125 Ų12565.8 Ų65.858%0.58435%0.354SS*.PPolyproline II helixtrans-78.8132.7172.1-64.4-176.23.400110.7Y51 L52 D54Y51-Q56 CarbonylContact C-O 3.25Å; Y51-Q56 WeakPolarHBondContact CA-O 3.44Å; L52-Q56 HydrophobicContact CB-CB 4.37Å; L52-Q56 PolarHBondContact N-O 2.83Å; D54-Q56 HydrophobicContact CB-CG 4.48Å; D54-Q56 PolarHBondContact O-N 3.41Å; D54-Q56 VanDerWaalsContact O-N 3.1Å
57R87.4Confident85.3Confident158 Ų15857.5 Ų57.560%0.59632%0.316SS*.BIsolated β-bridgetrans-77.7134178.6179.1-178.7168.7-172.7-4.2110.9Y51 D60Y51-R57 HydrophobicContact CD1-CB 4.07Å; Y51-R57 HydrophobicContact CE1-CB 3.92Å; R57-D60 IonicContact NH2-OD1 3.63Å
58I88.3Confident85.1Confident15 Ų1556.3 Ų56.38%0.07730%0.303CS..PPolyproline II helixtrans-86.1141.3175.6-53.9169.2000109.9I31 F50 F66 L67I31-I58 HydrophobicContact CD1-CB 4.32Å; I31-I58 HydrophobicContact CD1-CG2 3.36Å; F50-I58 HydrophobicContact CB-CB 4.37Å; F50-I58 HydrophobicContact CB-CD1 4.22Å; F50-I58 PolarHBondContact O-N 2.89Å; I58-F66 HydrophobicContact CD1-CD1 4.34Å; I58-F66 HydrophobicContact CD1-CE1 4.42Å; I58-F66 HydrophobicContact CG1-CE1 4.49Å; I58-F66 HydrophobicContact CG2-CD1 4.25Å; I58-L67 HydrophobicContact CD1-CD2 3.44Å; I58-L67 VanDerWaalsContact CD1-CD2 3.44Å
59A89.2Confident84.7Confident49 Ų4963.3 Ų63.341%0.40533%0.334SS..PPolyproline II helixtrans-75.1148.3-179.700000112.3S61 S62A59-S61 PolarHBondContact O-N 3.48Å; A59-S62 WeakPolarHBondContact O-CB 3.21Å; A59-S62 PolarHBondContact O-N 3.27Å; A59-S62 VanDerWaalsContact O-N 3.16Å; A59-S62 PolarHBondContact O-OG 3.47Å
60D88Confident84.3Confident61 Ų6164.6 Ų64.633%0.32634%0.342SS..THydrogen-bonded Turntrans-66.9-23-179.8-66.68.3000111.8G32 K35 R57 S62G32-D60 WeakPolarHBondContact CA-O 3.41Å; G32-D60 PolarHBondContact N-O 2.94Å; K35-D60 IonicContact NZ-OD1 3.62Å; K35-D60 IonicContact NZ-OD2 2.87Å; K35-D60 PolarHBondContact NZ-OD2 2.91Å; R57-D60 IonicContact NH2-OD1 3.63Å; D60-S62 VanDerWaalsContact C-N 3.34Å
61S88.5Confident84.1Confident98 Ų9867.4 Ų67.469%0.68536%0.358SS*.THydrogen-bonded Turntrans-82.2-8176.756.10000114.4A59A59-S61 PolarHBondContact O-N 3.48Å
62S88Confident84Confident29 Ų2965.5 Ų65.520%0.20335%0.35CS..SBendtrans-70.1142-178.7-60.60000110.6T30 I31 A59 D60T30-S62 WeakPolarHBondContact CA-O 3.36Å; I31-S62 WeakPolarHBondContact CG1-O 3.49Å; I31-S62 PolarHBondContact N-O 3.47Å; A59-S62 WeakPolarHBondContact O-CB 3.21Å; A59-S62 PolarHBondContact O-N 3.27Å; A59-S62 VanDerWaalsContact O-N 3.16Å; A59-S62 PolarHBondContact O-OG 3.47Å; D60-S62 VanDerWaalsContact C-N 3.34Å
63P86.4Confident84Confident67 Ų6765.8 Ų65.844%0.43535%0.35SS..BIsolated β-bridgetrans-67.5144.717729.8-35.3000109.9T65 F66P63-T65 WeakPolarHBondContact CB-OG1 3.46Å; P63-T65 PolarHBondContact O-N 3.43Å; P63-T65 VanDerWaalsContact O-N 3.11Å; P63-F66 VanDerWaalsContact O-CB 3.3Å; P63-F66 WeakPolarHBondContact O-CB 3.21Å; P63-F66 PolarHBondContact O-N 3.16Å
64V83.9Confident84.3Confident0 Ų062.6 Ų62.60%033%0.331CS..G310 helixtrans-60.3-25-179.8174.70000112.1L24 L26 Q29 I31 F66 L67L24-V64 HydrophobicContact CB-CG1 3.95Å; L24-V64 HydrophobicContact CD1-CG1 3.71Å; L24-V64 HydrophobicContact CD2-CG1 4.09Å; L24-V64 HydrophobicContact CG-CG1 4.12Å; L26-V64 HydrophobicContact CD2-CG1 4.44Å; Q29-V64 HydrophobicContact CB-CG2 4.1Å; Q29-V64 WeakPolarHBondContact O-CG2 3.49Å; Q29-V64 PolarHBondContact O-N 2.91Å; I31-V64 HydrophobicContact CG1-CG2 4.31Å; V64-F66 PolarHBondContact O-N 3.36Å; V64-F66 VanDerWaalsContact O-N 3.09Å; V64-L67 WeakPolarHBondContact O-CB 3.4Å; V64-L67 PolarHBondContact O-N 3.15Å
65T81.9Confident84.4Confident56 Ų5662.7 Ų62.734%0.34432%0.323SS..G310 helixtrans-54.1-27.2172.751.80000113.6L26 P63 L67 L68L26-T65 HydrophobicContact CB-CG2 3.76Å; L26-T65 HydrophobicContact CD2-CG2 4.01Å; L26-T65 HydrophobicContact CG-CG2 4.43Å; L26-T65 WeakPolarHBondContact O-CG2 3.48Å; P63-T65 WeakPolarHBondContact CB-OG1 3.46Å; P63-T65 PolarHBondContact O-N 3.43Å; P63-T65 VanDerWaalsContact O-N 3.11Å; T65-L67 VanDerWaalsContact C-N 3.33Å; T65-L67 PolarHBondContact O-N 2.93Å; T65-L68 PolarHBondContact O-N 2.98Å
66F81.8Confident84.5Confident85 Ų8557.8 Ų57.837%0.37330%0.296SS..G310 helixtrans-66.6-34.2177.3-169.5-99.6000112.5I58 P63 V64 L68 K69I58-F66 HydrophobicContact CD1-CD1 4.34Å; I58-F66 HydrophobicContact CD1-CE1 4.42Å; I58-F66 HydrophobicContact CG1-CE1 4.49Å; I58-F66 HydrophobicContact CG2-CD1 4.25Å; P63-F66 VanDerWaalsContact O-CB 3.3Å; P63-F66 WeakPolarHBondContact O-CB 3.21Å; P63-F66 PolarHBondContact O-N 3.16Å; V64-F66 PolarHBondContact O-N 3.36Å; V64-F66 VanDerWaalsContact O-N 3.09Å; F66-L68 PolarHBondContact O-N 3.44Å; F66-K69 HydrophobicContact CD2-CD 4.46Å; F66-K69 PolarHBondContact O-N 2.85Å
67L80.8Confident84.2Confident6 Ų654.4 Ų54.43%0.03128%0.282CS..G310 helixtrans-67.2-19.9178.8-68.4174.8000113.2I31 L34 F50 I58 V64 T65 S70 F72I31-L67 HydrophobicContact CD1-CD1 4.01Å; I31-L67 HydrophobicContact CD1-CD2 4.05Å; I31-L67 HydrophobicContact CD1-CG 3.76Å; I31-L67 HydrophobicContact CG1-CD1 3.94Å; I31-L67 HydrophobicContact CG1-CG 4.2Å; L34-L67 HydrophobicContact CD2-CD1 4.12Å; F50-L67 HydrophobicContact CB-CD2 4.25Å; F50-L67 HydrophobicContact CD1-CD1 4.06Å; F50-L67 HydrophobicContact CD1-CD2 4.18Å; F50-L67 HydrophobicContact CE1-CD1 4.2Å; F50-L67 HydrophobicContact CG-CD2 4.43Å; I58-L67 HydrophobicContact CD1-CD2 3.44Å; I58-L67 VanDerWaalsContact CD1-CD2 3.44Å; V64-L67 WeakPolarHBondContact O-CB 3.4Å; V64-L67 PolarHBondContact O-N 3.15Å; T65-L67 VanDerWaalsContact C-N 3.33Å; T65-L67 PolarHBondContact O-N 2.93Å; L67-S70 VanDerWaalsContact O-O 3.11Å; L67-F72 HydrophobicContact CB-CD1 4.18Å; L67-F72 HydrophobicContact CB-CE1 3.97Å; L67-F72 HydrophobicContact CB-CZ 4.27Å; L67-F72 HydrophobicContact CD1-CE2 4.41Å; L67-F72 HydrophobicContact CD1-CZ 4.43Å; L67-F72 HydrophobicContact CD2-CB 4.33Å; L67-F72 HydrophobicContact CD2-CD1 4.23Å; L67-F72 HydrophobicContact CD2-CD2 3.88Å; L67-F72 HydrophobicContact CD2-CE2 4.14Å; L67-F72 HydrophobicContact CD2-CG 3.92Å; L67-F72 HydrophobicContact CD2-CZ 4.47Å; L67-F72 VanDerWaalsContact O-CD1 3.22Å; L67-F72 WeakPolarHBondContact O-CD1 3.45Å; L67-F72 WeakPolarHBondContact O-CE1 3.43Å
68L77Confident83.6Confident44 Ų4455.4 Ų55.423%0.2329%0.294CS..G310 helixtrans-87-12-179.3-65.3179.2000113.8L2 A7 L26 T65 F66 V85L2-L68 HydrophobicContact CD1-CD1 4.45Å; L2-L68 HydrophobicContact CD2-CD1 3.83Å; L2-L68 HydrophobicContact CG-CD1 4.44Å; A7-L68 HydrophobicContact CB-CD1 4.02Å; A7-L68 HydrophobicContact CB-CD2 4.04Å; L26-L68 HydrophobicContact CD1-CD1 3.92Å; L26-L68 HydrophobicContact CD2-CD1 3.41Å; L26-L68 VanDerWaalsContact CD2-CD1 3.41Å; L26-L68 HydrophobicContact CD2-CG 4.37Å; L26-L68 HydrophobicContact CG-CD1 4.32Å; T65-L68 PolarHBondContact O-N 2.98Å; F66-L68 PolarHBondContact O-N 3.44Å; L68-V85 HydrophobicContact CD2-CG1 4.12Å
69K77.3Confident83.1Confident148 Ų14859 Ų5964%0.64332%0.317SS*.SBendtrans-73.1-32-177.5-68.9-172.6176-173.90112.4F66 Q87F66-K69 HydrophobicContact CD2-CD 4.46Å; F66-K69 PolarHBondContact O-N 2.85Å; K69-Q87 PolarHBondContact O-NE2 3.5Å
70S78.3Confident82.6Confident38 Ų3860.4 Ų60.427%0.26632%0.32SS..SBendtrans-146.4163.3-176.356.80000111L52 L67L52-S70 VanDerWaalsContact CD1-OG 3.27Å; L52-S70 WeakPolarHBondContact CD1-OG 2.96Å; L67-S70 VanDerWaalsContact O-O 3.11Å
71N83.5Confident82.2Confident64 Ų6459.8 Ų59.834%0.34232%0.321SS..  trans-60.9142.2169.7-67.2-19.3000110T53 N84 V85T53-N71 HydrophobicContact CG2-CB 4.16Å; T53-N71 WeakPolarHBondContact CG2-O 3.16Å; N71-N84 VanDerWaalsContact CG-OD1 3.24Å; N71-N84 PolarHBondContact ND2-OD1 3.09Å; N71-N84 PolarHBondContact OD1-OD1 2.99Å; N71-V85 PolarHBondContact OD1-N 3.11Å
72F85.8Confident81.7Confident12 Ų1262.6 Ų62.65%0.05332%0.323CS..EExtended strand (participates in β ladder)trans-136.5154.6-177.865.5-86.3000111L9 F50 Y51 L67 I74 V83 V85L9-F72 HydrophobicContact CD1-CZ 4.16Å; F50-F72 HydrophobicContact CD1-CD2 4.03Å; F50-F72 AromaticContact CD1-CE2 3.82Å; F50-F72 HydrophobicContact CD1-CE2 3.82Å; F50-F72 HydrophobicContact CE1-CE2 4.1Å; Y51-F72 CarbonylContact O-C 3.6Å; Y51-F72 WeakPolarHBondContact O-CA 3.41Å; Y51-F72 WeakPolarHBondContact O-CB 3.46Å; L67-F72 HydrophobicContact CB-CD1 4.18Å; L67-F72 HydrophobicContact CB-CE1 3.97Å; L67-F72 HydrophobicContact CB-CZ 4.27Å; L67-F72 HydrophobicContact CD1-CE2 4.41Å; L67-F72 HydrophobicContact CD1-CZ 4.43Å; L67-F72 HydrophobicContact CD2-CB 4.33Å; L67-F72 HydrophobicContact CD2-CD1 4.23Å; L67-F72 HydrophobicContact CD2-CD2 3.88Å; L67-F72 HydrophobicContact CD2-CE2 4.14Å; L67-F72 HydrophobicContact CD2-CG 3.92Å; L67-F72 HydrophobicContact CD2-CZ 4.47Å; L67-F72 VanDerWaalsContact O-CD1 3.22Å; L67-F72 WeakPolarHBondContact O-CD1 3.45Å; L67-F72 WeakPolarHBondContact O-CE1 3.43Å; F72-I74 HydrophobicContact CD2-CD1 4.36Å; F72-I74 HydrophobicContact CD2-CG1 3.71Å; F72-I74 HydrophobicContact CE2-CD1 3.56Å; F72-I74 HydrophobicContact CE2-CG1 3.41Å; F72-I74 VanDerWaalsContact CE2-CG1 3.41Å; F72-I74 HydrophobicContact CZ-CD1 4.35Å; F72-V83 HydrophobicContact CD2-CB 4.45Å; F72-V83 HydrophobicContact CE1-CB 4.24Å; F72-V83 HydrophobicContact CE1-CG1 4Å; F72-V83 HydrophobicContact CE2-CB 4.17Å; F72-V83 HydrophobicContact CE2-CG1 4.46Å; F72-V83 HydrophobicContact CE2-CG2 4.31Å; F72-V83 HydrophobicContact CZ-CB 4.04Å; F72-V83 HydrophobicContact CZ-CG1 3.86Å; F72-V83 HydrophobicContact CZ-CG2 4.49Å; F72-V83 PolarHBondContact N-O 3.13Å; F72-V83 PolarHBondContact O-N 3.19Å; F72-V85 HydrophobicContact CD1-CG2 3.8Å; F72-V85 HydrophobicContact CE1-CG2 3.65Å
73K86.8Confident81.3Confident38 Ų3862.7 Ų62.717%0.16532%0.322CS..EExtended strand (participates in β ladder)trans-102.4129.2176.2-55.8-179.5-172.1162.80108.4Y51 T53 N55 T80 S81 Q82Y51-K73 PolarHBondContact N-O 2.92Å; Y51-K73 PolarHBondContact O-N 2.82Å; T53-K73 PolarHBondContact O-NZ 3.1Å; T53-K73 VanDerWaalsContact O-NZ 3.09Å; N55-K73 PolarHBondContact OD1-NZ 3.01Å; K73-T80 HydrophobicContact CB-CG2 4.03Å; K73-T80 HydrophobicContact CD-CG2 4.41Å; K73-S81 WeakPolarHBondContact CA-O 3.39Å; K73-Q82 HydrophobicContact CG-CG 4.23Å
74I86.2Confident80.9Confident0 Ų065.1 Ų65.10%033%0.332CS..EExtended strand (participates in β ladder)trans-102.4127.2171.7-54.6178.5000107.6L9 L11 F50 F72 L76 T80 S81 V83L9-I74 HydrophobicContact CD1-CD1 4.18Å; L9-I74 HydrophobicContact CD2-CD1 4.35Å; L11-I74 HydrophobicContact CD1-CD1 3.9Å; F50-I74 HydrophobicContact CD1-CD1 4.33Å; F50-I74 HydrophobicContact CD1-CG1 3.86Å; F50-I74 HydrophobicContact CE1-CD1 3.88Å; F50-I74 HydrophobicContact CE1-CG1 3.9Å; F50-I74 HydrophobicContact CE1-CG2 4.36Å; F72-I74 HydrophobicContact CD2-CD1 4.36Å; F72-I74 HydrophobicContact CD2-CG1 3.71Å; F72-I74 HydrophobicContact CE2-CD1 3.56Å; F72-I74 HydrophobicContact CE2-CG1 3.41Å; F72-I74 VanDerWaalsContact CE2-CG1 3.41Å; F72-I74 HydrophobicContact CZ-CD1 4.35Å; I74-L76 HydrophobicContact CG2-CD2 3.93Å; I74-L76 HydrophobicContact CG2-CG 4.1Å; I74-T80 WeakPolarHBondContact O-CA 3.5Å; I74-S81 PolarHBondContact N-O 3.28Å; I74-S81 PolarHBondContact O-N 3.43Å; I74-V83 HydrophobicContact CD1-CG2 3.56Å; I74-V83 HydrophobicContact CG1-CG2 3.83Å
75R85.7Confident80.3Confident112 Ų11266 Ų6642%0.42334%0.337SS..EExtended strand (participates in β ladder)trans-102114.6171.3-170177.5-173.3156.46.2109V48 A49 Y51 N77V48-R75 WeakPolarHBondContact CA-O 3.29Å; A49-R75 PolarHBondContact N-O 3.2Å; A49-R75 VanDerWaalsContact N-O 3.13Å; A49-R75 PolarHBondContact O-N 2.87Å; Y51-R75 HydrophobicContact CD2-CB 4.08Å; Y51-R75 HydrophobicContact CE2-CB 3.66Å; Y51-R75 HydrophobicContact CE2-CG 4.44Å; R75-N77 PolarHBondContact NE-O 3.4Å
76L82.8Confident79.5Confident8 Ų869.2 Ų69.24%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-106.8105.9171.9-59.7175.8000107.3L11 I38 L45 V48 I74 Q78 T79L11-L76 HydrophobicContact CD1-CD1 4.06Å; L11-L76 HydrophobicContact CD2-CD1 3.92Å; L11-L76 HydrophobicContact CD2-CD2 4.14Å; L11-L76 HydrophobicContact CG-CD1 4.01Å; I38-L76 HydrophobicContact CG2-CD2 4.39Å; L45-L76 HydrophobicContact CD1-CD2 4.29Å; L45-L76 HydrophobicContact CD2-CB 3.96Å; L45-L76 HydrophobicContact CD2-CD2 4.27Å; V48-L76 HydrophobicContact CG1-CD2 4.09Å; V48-L76 HydrophobicContact CG2-CD2 3.92Å; I74-L76 HydrophobicContact CG2-CD2 3.93Å; I74-L76 HydrophobicContact CG2-CG 4.1Å; L76-Q78 PolarHBondContact O-N 2.84Å; L76-T79 PolarHBondContact N-O 2.61Å; L76-T79 PolarHBondContact O-N 3.38Å
77N80.8Confident78.3Confident54 Ų5471 Ų7129%0.28936%0.358SS..THydrogen-bonded Turntrans53-102.5-172.8-64.7-21.9000112.1T44 Q46 S47 R75T44-N77 PolarHBondContact O-ND2 3.41Å; T44-N77 VanDerWaalsContact O-ND2 3.08Å; Q46-N77 PolarHBondContact N-OD1 3.12Å; S47-N77 PolarHBondContact N-OD1 2.91Å; S47-N77 PolarHBondContact O-N 2.85Å; R75-N77 PolarHBondContact NE-O 3.4Å
78Q75.2Confident76.7Confident180 Ų18074.3 Ų74.384%0.84138%0.381SS*.THydrogen-bonded Turntrans-104.1-14.2179.7-61.9-174.54.700113.5L76L76-Q78 PolarHBondContact O-N 2.84Å
79T76.3Confident74.8Confident91 Ų9178.5 Ų78.556%0.55840%0.402SS*.EExtended strand (participates in β ladder)trans-91.9121.5-177.3-50.80000110L76L76-T79 PolarHBondContact N-O 2.61Å; L76-T79 PolarHBondContact O-N 3.38Å
80T80.6Confident72.9Confident78 Ų7874.2 Ų74.248%0.47940%0.4SS..EExtended strand (participates in β ladder)trans-101.8115175-53.90000108.8K73 I74K73-T80 HydrophobicContact CB-CG2 4.03Å; K73-T80 HydrophobicContact CD-CG2 4.41Å; I74-T80 WeakPolarHBondContact O-CA 3.5Å
81S77.7Confident71Confident48 Ų4880.3 Ų80.334%0.33642%0.424SS..EExtended strand (participates in β ladder)trans-104.4132.1175.8-62.30000109.8K73 I74K73-S81 WeakPolarHBondContact CA-O 3.39Å; I74-S81 PolarHBondContact N-O 3.28Å; I74-S81 PolarHBondContact O-N 3.43Å
82Q79.3Confident68.9Low157 Ų15783.7 Ų83.773%0.73444%0.438SS*.EExtended strand (participates in β ladder)trans-84.6121171.9-59.6-165-15.900108.9K73K73-Q82 HydrophobicContact CG-CG 4.23Å
83V79.6Confident66.8Low30 Ų3091.9 Ų91.918%0.18247%0.474CS..EExtended strand (participates in β ladder)trans-99.6109.5176.1-178.30000107.7L9 F72 I74L9-V83 HydrophobicContact CD1-CG1 4.18Å; F72-V83 HydrophobicContact CD2-CB 4.45Å; F72-V83 HydrophobicContact CE1-CB 4.24Å; F72-V83 HydrophobicContact CE1-CG1 4Å; F72-V83 HydrophobicContact CE2-CB 4.17Å; F72-V83 HydrophobicContact CE2-CG1 4.46Å; F72-V83 HydrophobicContact CE2-CG2 4.31Å; F72-V83 HydrophobicContact CZ-CB 4.04Å; F72-V83 HydrophobicContact CZ-CG1 3.86Å; F72-V83 HydrophobicContact CZ-CG2 4.49Å; F72-V83 PolarHBondContact N-O 3.13Å; F72-V83 PolarHBondContact O-N 3.19Å; I74-V83 HydrophobicContact CD1-CG2 3.56Å; I74-V83 HydrophobicContact CG1-CG2 3.83Å
84N77Confident64.9Low119 Ų11996.8 Ų96.864%0.63650%0.497SS*.  trans-79.9117.4172.3-165.617000108.1N71 E86N71-N84 VanDerWaalsContact CG-OD1 3.24Å; N71-N84 PolarHBondContact ND2-OD1 3.09Å; N71-N84 PolarHBondContact OD1-OD1 2.99Å; N84-E86 PolarHBondContact O-N 3Å
85V72.3Confident63.2Low18 Ų18103.8 Ų103.811%0.10953%0.528CS..  trans-82.8108.6176.1-1790000106.5L68 N71 F72 Q87L68-V85 HydrophobicContact CD2-CG1 4.12Å; N71-V85 PolarHBondContact OD1-N 3.11Å; F72-V85 HydrophobicContact CD1-CG2 3.8Å; F72-V85 HydrophobicContact CE1-CG2 3.65Å; V85-Q87 VanDerWaalsContact C-N 3.34Å; V85-Q87 PolarHBondContact O-N 3.31Å
86E65.3Low62.2Low124 Ų124103 Ų10358%0.57954%0.537SS*.  trans-61.7101.1167.6-70.3177.1171.500108.1N84 S88N84-E86 PolarHBondContact O-N 3Å; E86-S88 PolarHBondContact O-N 2.73Å
87Q56.5Low61.5Low123 Ų123109.2 Ų109.258%0.57557%0.566SS**  trans-69.577.1169.2-73.1-173.8-11.300107.9K69 V85 I89K69-Q87 PolarHBondContact O-NE2 3.5Å; V85-Q87 VanDerWaalsContact C-N 3.34Å; V85-Q87 PolarHBondContact O-N 3.31Å; Q87-I89 HydrophobicContact CB-CD1 4.12Å; Q87-I89 HydrophobicContact CB-CG1 4.09Å; Q87-I89 PolarHBondContact O-N 3.24Å
88S46.2Very low61.1Low74 Ų74111.6 Ų111.652%0.51758%0.578SS.*  trans-71.574.7159.9-52.60000107.2E86 G90E86-S88 PolarHBondContact O-N 2.73Å; S88-G90 PolarHBondContact O-N 2.93Å
89I38.8Very low60.8Low132 Ų132105.8 Ų105.868%0.67756%0.557SS**  trans-7174162.6-58.8162.2000105.2Q87Q87-I89 HydrophobicContact CB-CD1 4.12Å; Q87-I89 HydrophobicContact CB-CG1 4.09Å; Q87-I89 PolarHBondContact O-N 3.24Å
90G37.2Very low60.9Low58 Ų58106.3 Ų106.360%0.59856%0.556SS**  trans-93.3107.5144.600000104S88 E92S88-G90 PolarHBondContact O-N 2.93Å; G90-E92 PolarHBondContact O-N 3.06Å
91E37Very low61Low166 Ų166107.4 Ų107.478%0.77656%0.559SS**  trans-52.791.9149.3-68.7176.8165.500105.2K93E91-K93 PolarHBondContact O-N 3.34Å
92E41.1Very low61.3Low136 Ų136109.7 Ų109.764%0.63657%0.567SS**  trans-56.5102.4150-78.5-165.2175.200102.2G90 H94G90-E92 PolarHBondContact O-N 3.06Å; E92-H94 PolarHBondContact O-N 2.9Å
93K40.7Very low61.3Low183 Ų183108.1 Ų108.180%0.79656%0.559SS**  trans-53.183.1159.5-71.2178.5177178.70104E91 F95E91-K93 PolarHBondContact O-N 3.34Å; K93-F95 PolarHBondContact O-N 3.26Å
94H46.5Very low61.5Low141 Ų141110 Ų11065%0.65357%0.571SS**  trans-52.6113.1179.5-92.9-19.8000103.1E92 P96E92-H94 PolarHBondContact O-N 2.9Å; H94-P96 VanDerWaalsContact C-N 3.31Å; H94-P96 WeakPolarHBondContact O-CD 3.3Å
95F50.6Low61.9Low147 Ų147109.6 Ų109.665%0.64557%0.568SS**  trans-53.4105.3169-86-93.4000104.7K93 E97 L98 S99K93-F95 PolarHBondContact O-N 3.26Å; F95-E97 PolarHBondContact O-N 3.27Å; F95-E97 VanDerWaalsContact O-N 3.09Å; F95-L98 HydrophobicContact CB-CB 3.74Å; F95-L98 PolarHBondContact O-N 2.89Å; F95-S99 PolarHBondContact O-N 2.75Å; F95-S99 VanDerWaalsContact O-N 3.12Å; F95-S99 PolarHBondContact O-OG 3.37Å
96P64.3Low62.3Low97 Ų97114.9 Ų114.963%0.6359%0.592SS**Hα-helixtrans-58.6-29-179.125-31.9000109H94 S99 L100H94-P96 VanDerWaalsContact C-N 3.31Å; H94-P96 WeakPolarHBondContact O-CD 3.3Å; P96-S99 WeakPolarHBondContact CA-OG 3.38Å; P96-S99 PolarHBondContact O-OG 3.37Å; P96-L100 WeakPolarHBondContact O-CB 3.28Å; P96-L100 PolarHBondContact O-N 3.09Å
97E68.5Low63.1Low138 Ų138114.5 Ų114.565%0.64559%0.591SS**Hα-helixtrans-60.4-44.2170.2-64-179.517500113.6F95 L100 L101F95-E97 PolarHBondContact O-N 3.27Å; F95-E97 VanDerWaalsContact O-N 3.09Å; E97-L100 PolarHBondContact O-N 3.1Å; E97-L101 WeakPolarHBondContact O-CB 3.36Å; E97-L101 WeakPolarHBondContact O-CG 3.46Å; E97-L101 PolarHBondContact O-N 3.16Å
98L72.7Confident64.4Low103 Ų103114.1 Ų114.154%0.53959%0.589SS.*Hα-helixtrans-75.5-35.7-178.5-162.8138000111.7F95 L100 L101 L102F95-L98 HydrophobicContact CB-CB 3.74Å; F95-L98 PolarHBondContact O-N 2.89Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L101 PolarHBondContact O-N 2.85Å; L98-L102 HydrophobicContact CD2-CD1 3.77Å; L98-L102 HydrophobicContact CD2-CG 4.16Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 WeakPolarHBondContact O-CG 3.34Å; L98-L102 PolarHBondContact O-N 2.79Å
99S69.6Low66.3Low58 Ų58117 Ų11741%0.40660%0.595SS.*Hα-helixtrans-63.9-40169.648.80000111.8F95 P96 L102 Q103F95-S99 PolarHBondContact O-N 2.75Å; F95-S99 VanDerWaalsContact O-N 3.12Å; F95-S99 PolarHBondContact O-OG 3.37Å; P96-S99 WeakPolarHBondContact CA-OG 3.38Å; P96-S99 PolarHBondContact O-OG 3.37Å; S99-L102 PolarHBondContact O-N 2.97Å; S99-Q103 VanDerWaalsContact O-CB 3.27Å; S99-Q103 WeakPolarHBondContact O-CB 3.27Å; S99-Q103 PolarHBondContact O-N 3.35Å
100L78.2Confident68.4Low103 Ų103113.2 Ų113.254%0.53958%0.58SS.*Hα-helixtrans-67.8-38176-175.2143.2000111.1P96 E97 L98 Q103 T104P96-L100 WeakPolarHBondContact O-CB 3.28Å; P96-L100 PolarHBondContact O-N 3.09Å; E97-L100 PolarHBondContact O-N 3.1Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L100-Q103 PolarHBondContact O-N 3.5Å; L100-T104 HydrophobicContact CD2-CG2 4.19Å; L100-T104 WeakPolarHBondContact O-CB 3.23Å; L100-T104 WeakPolarHBondContact O-CG2 3.19Å; L100-T104 PolarHBondContact O-N 3.49Å; L100-T104 PolarHBondContact O-OG1 3.32Å
101L82.1Confident70.7Confident101 Ų101112.7 Ų112.753%0.52957%0.57SS.*Hα-helixtrans-65-45.2172.6-74.2170.6000111.7E97 L98 Q103 T104 L105E97-L101 WeakPolarHBondContact O-CB 3.36Å; E97-L101 WeakPolarHBondContact O-CG 3.46Å; E97-L101 PolarHBondContact O-N 3.16Å; L98-L101 PolarHBondContact O-N 2.85Å; L101-Q103 PolarHBondContact O-N 2.87Å; L101-T104 VanDerWaalsContact CA-OG1 3.28Å; L101-T104 WeakPolarHBondContact CA-OG1 3.31Å; L101-T104 PolarHBondContact O-N 3.35Å; L101-T104 PolarHBondContact O-OG1 3.26Å; L101-L105 WeakPolarHBondContact O-CB 3.43Å; L101-L105 WeakPolarHBondContact O-CG 3.21Å; L101-L105 PolarHBondContact O-N 2.87Å
102L83.8Confident73.2Confident96 Ų96109.5 Ų109.550%0.50356%0.555SS.*Hα-helixtrans-63.2-42.4175.4-75.7175.5000111.7L98 S99 L105 Q106L98-L102 HydrophobicContact CD2-CD1 3.77Å; L98-L102 HydrophobicContact CD2-CG 4.16Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 WeakPolarHBondContact O-CG 3.34Å; L98-L102 PolarHBondContact O-N 2.79Å; S99-L102 PolarHBondContact O-N 2.97Å; L102-L105 PolarHBondContact O-N 3.46Å; L102-Q106 WeakPolarHBondContact O-CB 3.36Å; L102-Q106 VanDerWaalsContact O-CG 3.31Å; L102-Q106 WeakPolarHBondContact O-CG 3.45Å; L102-Q106 PolarHBondContact O-N 2.88Å
103Q80.4Confident75.5Confident123 Ų123109.3 Ų109.358%0.57555%0.552SS**Hα-helixtrans-63.8-45.8176.4-175.8176.1-8.400111.1S99 L100 L101 L105 Q106 M107S99-Q103 VanDerWaalsContact O-CB 3.27Å; S99-Q103 WeakPolarHBondContact O-CB 3.27Å; S99-Q103 PolarHBondContact O-N 3.35Å; L100-Q103 PolarHBondContact O-N 3.5Å; L101-Q103 PolarHBondContact O-N 2.87Å; Q103-L105 VanDerWaalsContact C-N 3.34Å; Q103-L105 PolarHBondContact O-N 3.39Å; Q103-Q106 PolarHBondContact O-N 3.39Å; Q103-M107 WeakPolarHBondContact O-CB 3.37Å; Q103-M107 VanDerWaalsContact O-CG 3.23Å; Q103-M107 WeakPolarHBondContact O-CG 3.46Å; Q103-M107 PolarHBondContact O-N 3.48Å
104T82.5Confident77.7Confident69 Ų69102.8 Ų102.842%0.42353%0.525SS..Hα-helixtrans-63.9-38.3176.751.10000112L100 L101 M107 H108L100-T104 HydrophobicContact CD2-CG2 4.19Å; L100-T104 WeakPolarHBondContact O-CB 3.23Å; L100-T104 WeakPolarHBondContact O-CG2 3.19Å; L100-T104 PolarHBondContact O-N 3.49Å; L100-T104 PolarHBondContact O-OG1 3.32Å; L101-T104 VanDerWaalsContact CA-OG1 3.28Å; L101-T104 WeakPolarHBondContact CA-OG1 3.31Å; L101-T104 PolarHBondContact O-N 3.35Å; L101-T104 PolarHBondContact O-OG1 3.26Å; T104-M107 PolarHBondContact O-N 3.47Å; T104-H108 WeakPolarHBondContact O-CB 3.39Å; T104-H108 PolarHBondContact O-N 2.84Å
105L84.9Confident79.7Confident112 Ų112100 Ų10059%0.58651%0.512SS*.Hα-helixtrans-64.1-43.5172.9-73.1175.9000112.1L101 L102 Q103 M107 H108 Q109L101-L105 WeakPolarHBondContact O-CB 3.43Å; L101-L105 WeakPolarHBondContact O-CG 3.21Å; L101-L105 PolarHBondContact O-N 2.87Å; L102-L105 PolarHBondContact O-N 3.46Å; Q103-L105 VanDerWaalsContact C-N 3.34Å; Q103-L105 PolarHBondContact O-N 3.39Å; L105-M107 VanDerWaalsContact C-N 3.34Å; L105-H108 PolarHBondContact O-N 2.86Å; L105-Q109 WeakPolarHBondContact O-CB 3.48Å; L105-Q109 PolarHBondContact O-N 2.87Å
106Q82.2Confident81.7Confident129 Ų12999.3 Ų99.360%0.60351%0.511SS*.Hα-helixtrans-63.7-38.7174.6-75.9178-2400112L102 Q103 Q109 S110L102-Q106 WeakPolarHBondContact O-CB 3.36Å; L102-Q106 VanDerWaalsContact O-CG 3.31Å; L102-Q106 WeakPolarHBondContact O-CG 3.45Å; L102-Q106 PolarHBondContact O-N 2.88Å; Q103-Q106 PolarHBondContact O-N 3.39Å; Q106-Q109 PolarHBondContact O-N 2.86Å; Q106-S110 VanDerWaalsContact O-CB 3.31Å; Q106-S110 WeakPolarHBondContact O-CB 3.14Å; Q106-S110 PolarHBondContact O-N 3.16Å; Q106-S110 PolarHBondContact O-OG 2.82Å
107M81.3Confident83Confident115 Ų11598.9 Ų98.957%0.56750%0.501SS*.Hα-helixtrans-65.1-42.5174.5-70.6-56.1-66.300111.5Q103 T104 L105 S110 A111Q103-M107 WeakPolarHBondContact O-CB 3.37Å; Q103-M107 VanDerWaalsContact O-CG 3.23Å; Q103-M107 WeakPolarHBondContact O-CG 3.46Å; Q103-M107 PolarHBondContact O-N 3.48Å; T104-M107 PolarHBondContact O-N 3.47Å; L105-M107 VanDerWaalsContact C-N 3.34Å; M107-S110 WeakPolarHBondContact CA-OG 3.27Å; M107-S110 PolarHBondContact O-N 2.85Å; M107-S110 PolarHBondContact O-OG 3.4Å; M107-A111 VanDerWaalsContact O-CB 3.29Å; M107-A111 WeakPolarHBondContact O-CB 3.31Å; M107-A111 PolarHBondContact O-N 2.91Å
108H82.9Confident84.1Confident116 Ų11694.1 Ų94.154%0.53748%0.479SS..Hα-helixtrans-66-43.5176.2-171.2-90.2000111.8T104 L105 S110 A111 Q112T104-H108 WeakPolarHBondContact O-CB 3.39Å; T104-H108 PolarHBondContact O-N 2.84Å; L105-H108 PolarHBondContact O-N 2.86Å; H108-S110 PolarHBondContact O-N 2.83Å; H108-A111 PolarHBondContact O-N 3.09Å; H108-Q112 PolarHBondContact CE1-NE2 3.06Å; H108-Q112 WeakPolarHBondContact O-CG 3.41Å; H108-Q112 PolarHBondContact O-N 3.31Å
109Q87.1Confident85.2Confident135 Ų13595.4 Ų95.463%0.63148%0.48SS*.Hα-helixtrans-64.1-41.2177.2-171.9-178.510.900111.8L105 Q106 K113L105-Q109 WeakPolarHBondContact O-CB 3.48Å; L105-Q109 PolarHBondContact O-N 2.87Å; Q106-Q109 PolarHBondContact O-N 2.86Å; Q109-K113 WeakPolarHBondContact O-CB 3.31Å; Q109-K113 PolarHBondContact O-N 3.22Å; Q109-K113 VanDerWaalsContact O-N 3.09Å
110S83.5Confident86.3Confident51 Ų5195 Ų9536%0.35748%0.477SS..Hα-helixtrans-69.1-38.4176.258.30000112.2Q106 M107 H108 K113 I114Q106-S110 VanDerWaalsContact O-CB 3.31Å; Q106-S110 WeakPolarHBondContact O-CB 3.14Å; Q106-S110 PolarHBondContact O-N 3.16Å; Q106-S110 PolarHBondContact O-OG 2.82Å; M107-S110 WeakPolarHBondContact CA-OG 3.27Å; M107-S110 PolarHBondContact O-N 2.85Å; M107-S110 PolarHBondContact O-OG 3.4Å; H108-S110 PolarHBondContact O-N 2.83Å; S110-K113 PolarHBondContact O-N 2.96Å; S110-I114 VanDerWaalsContact O-CG1 3.28Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.47Å
111A85.8Confident87Confident47 Ų4790.7 Ų90.739%0.38845%0.454SS..Hα-helixtrans-61.5-45.8173.900000112.1M107 H108 K113 I114 E115M107-A111 VanDerWaalsContact O-CB 3.29Å; M107-A111 WeakPolarHBondContact O-CB 3.31Å; M107-A111 PolarHBondContact O-N 2.91Å; H108-A111 PolarHBondContact O-N 3.09Å; A111-K113 VanDerWaalsContact C-N 3.33Å; A111-K113 PolarHBondContact O-N 2.94Å; A111-I114 PolarHBondContact O-N 3.42Å; A111-E115 WeakPolarHBondContact O-CG 3.49Å; A111-E115 PolarHBondContact O-N 2.95Å
112Q87.9Confident87.6Confident99 Ų9987.6 Ų87.646%0.46344%0.443SS..Hα-helixtrans-59.5-43.8175-74.8-175-28.300112H108 I114 E115 E116H108-Q112 PolarHBondContact CE1-NE2 3.06Å; H108-Q112 WeakPolarHBondContact O-CG 3.41Å; H108-Q112 PolarHBondContact O-N 3.31Å; Q112-I114 VanDerWaalsContact C-N 3.32Å; Q112-I114 PolarHBondContact O-N 3.2Å; Q112-E115 PolarHBondContact O-N 3.41Å; Q112-E116 WeakPolarHBondContact O-CG 3.23Å; Q112-E116 PolarHBondContact O-N 3.43Å
113K89.3Confident88.1Confident132 Ų13290.2 Ų90.257%0.57445%0.451SS*.Hα-helixtrans-61.1-40177.1-171.7175.8-179.4178.60112.2Q109 S110 A111 E116 Q117Q109-K113 WeakPolarHBondContact O-CB 3.31Å; Q109-K113 PolarHBondContact O-N 3.22Å; Q109-K113 VanDerWaalsContact O-N 3.09Å; S110-K113 PolarHBondContact O-N 2.96Å; A111-K113 VanDerWaalsContact C-N 3.33Å; A111-K113 PolarHBondContact O-N 2.94Å; K113-E116 PolarHBondContact O-N 2.98Å; K113-Q117 WeakPolarHBondContact O-CB 3.46Å; K113-Q117 VanDerWaalsContact O-CG 3.27Å; K113-Q117 WeakPolarHBondContact O-CG 3.49Å; K113-Q117 PolarHBondContact O-N 2.98Å
114I88Confident88.8Confident47 Ų4790 Ų9024%0.24145%0.448CS..Hα-helixtrans-63.2-42.5175.9-70.1167.8000110.7S110 A111 Q112 Q117 E118 L252S110-I114 VanDerWaalsContact O-CG1 3.28Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.47Å; A111-I114 PolarHBondContact O-N 3.42Å; Q112-I114 VanDerWaalsContact C-N 3.32Å; Q112-I114 PolarHBondContact O-N 3.2Å; I114-Q117 WeakPolarHBondContact O-CB 3.29Å; I114-Q117 PolarHBondContact O-N 3.16Å; I114-E118 PolarHBondContact O-N 2.89Å; I114-L252 HydrophobicContact CG2-CD2 3.48Å; I114-L252 VanDerWaalsContact CG2-CD2 3.48Å; I114-L252 HydrophobicContact CG2-CG 4.46Å
115E89.3Confident89.4Confident82 Ų8288.6 Ų88.638%0.38344%0.437SS..Hα-helixtrans-68-38.5178.1-67.4-165159.100113.1A111 Q112 Q117 E118 K119 K256A111-E115 WeakPolarHBondContact O-CG 3.49Å; A111-E115 PolarHBondContact O-N 2.95Å; Q112-E115 PolarHBondContact O-N 3.41Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; E115-E118 PolarHBondContact O-N 2.89Å; E115-K119 WeakPolarHBondContact O-CB 3.33Å; E115-K119 VanDerWaalsContact O-CG 3.31Å; E115-K119 WeakPolarHBondContact O-CG 3.37Å; E115-K119 PolarHBondContact O-N 3.09Å; E115-K256 IonicContact OE1-NZ 3.99Å; E115-K256 PolarHBondContact OE1-NZ 3.44Å; E115-K256 VanDerWaalsContact OE1-NZ 3.12Å
116E92Very high89.8Confident132 Ų13286.6 Ų86.662%0.61743%0.433SS*.Hα-helixtrans-63.1-42.2172.4-73.1-179.7176.100111.5Q112 K113 K119 S120Q112-E116 WeakPolarHBondContact O-CG 3.23Å; Q112-E116 PolarHBondContact O-N 3.43Å; K113-E116 PolarHBondContact O-N 2.98Å; E116-K119 PolarHBondContact O-N 3.13Å; E116-S120 WeakPolarHBondContact O-CB 3.32Å; E116-S120 PolarHBondContact O-N 3.44Å
117Q91.2Very high90.4Very high89 Ų8983.1 Ų83.142%0.41642%0.423SS..Hα-helixtrans-60.2-48.7174-76.7-179.4-41.700111.2K113 I114 E115 K119 S120 L121 L252K113-Q117 WeakPolarHBondContact O-CB 3.46Å; K113-Q117 VanDerWaalsContact O-CG 3.27Å; K113-Q117 WeakPolarHBondContact O-CG 3.49Å; K113-Q117 PolarHBondContact O-N 2.98Å; I114-Q117 WeakPolarHBondContact O-CB 3.29Å; I114-Q117 PolarHBondContact O-N 3.16Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; Q117-K119 PolarHBondContact O-N 2.88Å; Q117-S120 PolarHBondContact O-N 3.41Å; Q117-S120 VanDerWaalsContact O-N 3.13Å; Q117-S120 PolarHBondContact O-OG 3.25Å; Q117-L121 WeakPolarHBondContact O-CD1 3.39Å; Q117-L121 PolarHBondContact O-N 3.33Å; Q117-L252 HydrophobicContact CB-CD1 4.06Å
118E92.6Very high91Very high37 Ų3778 Ų7817%0.17340%0.398CS..Hα-helixtrans-57.5-48.5176.6-173.5-176.6177.400111.4I114 E115 S120 L121 A122 L252 R253I114-E118 PolarHBondContact O-N 2.89Å; E115-E118 PolarHBondContact O-N 2.89Å; E118-S120 VanDerWaalsContact C-N 3.28Å; E118-S120 PolarHBondContact O-N 2.89Å; E118-L121 PolarHBondContact O-N 2.94Å; E118-A122 WeakPolarHBondContact O-CB 3.27Å; E118-A122 PolarHBondContact O-N 3.46Å; E118-L252 HydrophobicContact CB-CD2 4.22Å; E118-R253 IonicContact OE1-CZ 3.64Å; E118-R253 IonicContact OE1-NE 2.69Å; E118-R253 PolarHBondContact OE1-NE 3.46Å; E118-R253 IonicContact OE1-NH2 2.62Å; E118-R253 PolarHBondContact OE1-NH2 3.01Å; E118-R253 VanDerWaalsContact OE1-NH2 3.12Å
119K94Very high91.5Very high131 Ų13177.6 Ų77.657%0.5740%0.396SS*.Hα-helixtrans-59.7-39.6176.9-73.7172.6-174.2168.80111.4E115 E116 Q117 K123E115-K119 WeakPolarHBondContact O-CB 3.33Å; E115-K119 VanDerWaalsContact O-CG 3.31Å; E115-K119 WeakPolarHBondContact O-CG 3.37Å; E115-K119 PolarHBondContact O-N 3.09Å; E116-K119 PolarHBondContact O-N 3.13Å; Q117-K119 PolarHBondContact O-N 2.88Å; K119-K123 WeakPolarHBondContact O-CB 3.42Å; K119-K123 VanDerWaalsContact O-CG 3.23Å; K119-K123 WeakPolarHBondContact O-CG 3.28Å; K119-K123 PolarHBondContact O-N 3.35Å
120S93.7Very high91.9Very high49 Ų4979.1 Ų79.134%0.34340%0.401SS..Hα-helixtrans-68-40.9178.382.80000112.4E116 Q117 E118 K123 K124E116-S120 WeakPolarHBondContact O-CB 3.32Å; E116-S120 PolarHBondContact O-N 3.44Å; Q117-S120 PolarHBondContact O-N 3.41Å; Q117-S120 VanDerWaalsContact O-N 3.13Å; Q117-S120 PolarHBondContact O-OG 3.25Å; E118-S120 VanDerWaalsContact C-N 3.28Å; E118-S120 PolarHBondContact O-N 2.89Å; S120-K123 PolarHBondContact O-N 2.75Å; S120-K124 WeakPolarHBondContact O-CG 3.48Å; S120-K124 PolarHBondContact O-N 3.38Å
121L92.8Very high92.2Very high12 Ų1284.9 Ų84.96%0.06342%0.415CS..Hα-helixtrans-66.9-45.3176.3-95.867.2000111Q117 E118 K123 K124 L125 E248 L249 L252Q117-L121 WeakPolarHBondContact O-CD1 3.39Å; Q117-L121 PolarHBondContact O-N 3.33Å; E118-L121 PolarHBondContact O-N 2.94Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 2.66Å; L121-K124 PolarHBondContact O-N 3.19Å; L121-K124 VanDerWaalsContact O-N 3.16Å; L121-L125 WeakPolarHBondContact O-CB 3.35Å; L121-L125 PolarHBondContact O-N 3.31Å; L121-E248 HydrophobicContact CD2-CB 3.88Å; L121-E248 HydrophobicContact CD2-CG 3.66Å; L121-L249 HydrophobicContact CD2-CB 4.41Å; L121-L252 HydrophobicContact CD2-CD1 4.44Å
122A94.6Very high92.5Very high36 Ų3683 Ų8330%0.29840%0.398SS..Hα-helixtrans-61.6-39.2176.700000112.1E118 L125 S126 L249E118-A122 WeakPolarHBondContact O-CB 3.27Å; E118-A122 PolarHBondContact O-N 3.46Å; A122-L125 PolarHBondContact O-N 3Å; A122-S126 PolarHBondContact O-N 2.94Å; A122-S126 PolarHBondContact O-OG 3.47Å; A122-L249 HydrophobicContact CB-CD1 4.22Å
123K95.2Very high92.7Very high152 Ų15283.4 Ų83.466%0.66140%0.401SS*.Hα-helixtrans-64.6-42.4172.6-76.7176-177.6-177.20112.4K119 S120 L121 S126 S127K119-K123 WeakPolarHBondContact O-CB 3.42Å; K119-K123 VanDerWaalsContact O-CG 3.23Å; K119-K123 WeakPolarHBondContact O-CG 3.28Å; K119-K123 PolarHBondContact O-N 3.35Å; S120-K123 PolarHBondContact O-N 2.75Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 2.66Å; K123-S126 PolarHBondContact O-OG 3.12Å; K123-S127 WeakPolarHBondContact O-CB 3.28Å; K123-S127 PolarHBondContact O-N 2.92Å; K123-S127 VanDerWaalsContact O-N 3.09Å
124K94.6Very high92.8Very high117 Ų11779.8 Ų79.851%0.50939%0.391SS..Hα-helixtrans-62.8-46.4175.2-73.7172.9-177.1176.60110.7S120 L121 S127 V128 L245S120-K124 WeakPolarHBondContact O-CG 3.48Å; S120-K124 PolarHBondContact O-N 3.38Å; L121-K124 PolarHBondContact O-N 3.19Å; L121-K124 VanDerWaalsContact O-N 3.16Å; K124-S127 PolarHBondContact O-N 2.86Å; K124-S127 PolarHBondContact O-OG 2.88Å; K124-V128 WeakPolarHBondContact O-CG2 3.48Å; K124-V128 PolarHBondContact O-N 3.41Å; K124-L245 HydrophobicContact CB-CD1 4.11Å; K124-L245 HydrophobicContact CB-CD2 4.4Å
125L95.1Very high92.9Very high40 Ų4079.3 Ų79.321%0.20939%0.389CS..Hα-helixtrans-60-46.8178.7-178.2130.4000112L121 A122 S127 V128 H129 L245 E246L121-L125 WeakPolarHBondContact O-CB 3.35Å; L121-L125 PolarHBondContact O-N 3.31Å; A122-L125 PolarHBondContact O-N 3Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.12Å; L125-V128 PolarHBondContact O-N 3.08Å; L125-H129 WeakPolarHBondContact O-CB 3.39Å; L125-H129 PolarHBondContact O-N 3.35Å; L125-L245 HydrophobicContact CB-CB 4.45Å; L125-L245 HydrophobicContact CD1-CB 4.06Å; L125-E246 HydrophobicContact CD1-CB 4.26Å; L125-E246 HydrophobicContact CD1-CG 3.38Å
126S93.9Very high93.1Very high70 Ų7077.8 Ų77.849%0.4938%0.384SS..Hα-helixtrans-63.4-36.2176.666.90000112.3A122 K123 K130A122-S126 PolarHBondContact O-N 2.94Å; A122-S126 PolarHBondContact O-OG 3.47Å; K123-S126 PolarHBondContact O-OG 3.12Å; S126-K130 VanDerWaalsContact O-CB 3.28Å; S126-K130 WeakPolarHBondContact O-CB 3.43Å; S126-K130 PolarHBondContact O-N 3.41Å
127S93.9Very high93.1Very high56 Ų5676.8 Ų76.839%0.39238%0.379SS..Hα-helixtrans-65.9-39.6175.179.30000112.9K123 K124 L125 R131K123-S127 WeakPolarHBondContact O-CB 3.28Å; K123-S127 PolarHBondContact O-N 2.92Å; K123-S127 VanDerWaalsContact O-N 3.09Å; K124-S127 PolarHBondContact O-N 2.86Å; K124-S127 PolarHBondContact O-OG 2.88Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.12Å; S127-R131 WeakPolarHBondContact O-CG 3.41Å; S127-R131 PolarHBondContact O-N 2.84Å
128V93.7Very high93Very high8 Ų877.4 Ų77.45%0.04838%0.382CS..Hα-helixtrans-70-44.9176.2174.50000110.2K124 L125 K130 R131 L132 Q241 A242 L245K124-V128 WeakPolarHBondContact O-CG2 3.48Å; K124-V128 PolarHBondContact O-N 3.41Å; L125-V128 PolarHBondContact O-N 3.08Å; V128-K130 VanDerWaalsContact C-N 3.3Å; V128-K130 PolarHBondContact O-N 3.38Å; V128-R131 WeakPolarHBondContact O-CB 3.46Å; V128-R131 PolarHBondContact O-N 2.91Å; V128-R131 VanDerWaalsContact O-N 3.08Å; V128-L132 HydrophobicContact CG1-CD1 4.08Å; V128-L132 PolarHBondContact O-N 3.27Å; V128-Q241 HydrophobicContact CG2-CG 4.35Å; V128-A242 HydrophobicContact CG1-CB 3.96Å; V128-L245 HydrophobicContact CG2-CD1 4.01Å
129H94.2Very high92.9Very high107 Ų10777.1 Ų77.150%0.49538%0.382SS..Hα-helixtrans-60.1-41177.2-167.580.8000111.8L125 R131 L132 M133L125-H129 WeakPolarHBondContact O-CB 3.39Å; L125-H129 PolarHBondContact O-N 3.35Å; H129-R131 VanDerWaalsContact C-N 3.28Å; H129-R131 PolarHBondContact O-N 3.23Å; H129-L132 PolarHBondContact O-N 2.97Å; H129-L132 VanDerWaalsContact O-N 3.09Å; H129-M133 PolarHBondContact O-N 3.01Å
130K93.8Very high92.8Very high168 Ų16876.7 Ų76.773%0.7338%0.383SS*.Hα-helixtrans-62.3-33.5175.4-164.4175.3-172.7177.40112.8S126 V128 P134S126-K130 VanDerWaalsContact O-CB 3.28Å; S126-K130 WeakPolarHBondContact O-CB 3.43Å; S126-K130 PolarHBondContact O-N 3.41Å; V128-K130 VanDerWaalsContact C-N 3.3Å; V128-K130 PolarHBondContact O-N 3.38Å; K130-P134 WeakPolarHBondContact O-CD 3.34Å
131R91.2Very high92.7Very high171 Ų17177 Ų7765%0.64538%0.384SS*.Hα-helixtrans-75.9-32.1173-68.9176.5-177.8-1760.4112.4S127 V128 H129 P134 L238S127-R131 WeakPolarHBondContact O-CG 3.41Å; S127-R131 PolarHBondContact O-N 2.84Å; V128-R131 WeakPolarHBondContact O-CB 3.46Å; V128-R131 PolarHBondContact O-N 2.91Å; V128-R131 VanDerWaalsContact O-N 3.08Å; H129-R131 VanDerWaalsContact C-N 3.28Å; H129-R131 PolarHBondContact O-N 3.23Å; R131-P134 WeakPolarHBondContact O-CD 3.48Å; R131-P134 WeakPolarHBondContact O-CG 3.35Å; R131-L238 HydrophobicContact CB-CD2 3.68Å
132L92.5Very high92.6Very high9 Ų977.3 Ų77.35%0.04739%0.385CS..Hα-helixtrans-71.9-34.8177.1-82.9169.1000113.1V128 H129 L135 N136 Y235 L238 A242V128-L132 HydrophobicContact CG1-CD1 4.08Å; V128-L132 PolarHBondContact O-N 3.27Å; H129-L132 PolarHBondContact O-N 2.97Å; H129-L132 VanDerWaalsContact O-N 3.09Å; L132-L135 CarbonylContact O-C 3.6Å; L132-L135 WeakPolarHBondContact O-CA 3.35Å; L132-L135 WeakPolarHBondContact O-CB 3.48Å; L132-L135 PolarHBondContact O-N 2.92Å; L132-N136 PolarHBondContact O-N 2.82Å; L132-Y235 HydrophobicContact CD2-CD2 4.03Å; L132-Y235 HydrophobicContact CD2-CE2 4.01Å; L132-L238 HydrophobicContact CD1-CB 4.49Å; L132-L238 HydrophobicContact CD2-CB 3.6Å; L132-L238 HydrophobicContact CD2-CD2 4.31Å; L132-L238 HydrophobicContact CG-CB 3.94Å; L132-L238 HydrophobicContact CG-CD2 4.22Å; L132-A242 HydrophobicContact CD1-CB 3.75Å
133M91Very high92.5Very high106 Ų10678 Ų7852%0.52239%0.386SS..Hα-helixtrans-50.2-53.5-176.6-167.1174.5-175.900114.2H129 L135 N136 E137H129-M133 PolarHBondContact O-N 3.01Å; M133-L135 VanDerWaalsContact C-N 3.27Å; M133-L135 PolarHBondContact O-N 3.41Å; M133-N136 PolarHBondContact O-N 3.44Å; M133-E137 PolarHBondContact O-N 2.72Å
134P91.8Very high92.5Very high56 Ų5675 Ų7536%0.36438%0.377SS..Hα-helixtrans-67.6-25.6178.527.5-36.7000113.5K130 R131 Q138K130-P134 WeakPolarHBondContact O-CD 3.34Å; R131-P134 WeakPolarHBondContact O-CD 3.48Å; R131-P134 WeakPolarHBondContact O-CG 3.35Å; P134-Q138 VanDerWaalsContact O-CG 3.31Å; P134-Q138 WeakPolarHBondContact O-CG 3.33Å; P134-Q138 PolarHBondContact O-N 3.28Å; P134-Q138 PolarHBondContact O-NE2 3.04Å
135L90.7Very high92.4Very high38 Ų3875.2 Ų75.220%0.19938%0.378CS..Hα-helixtrans-76.3-40.3176.1-87.364.1000110.7L132 M133 Q138 V139 F230 Y235L132-L135 CarbonylContact O-C 3.6Å; L132-L135 WeakPolarHBondContact O-CA 3.35Å; L132-L135 WeakPolarHBondContact O-CB 3.48Å; L132-L135 PolarHBondContact O-N 2.92Å; M133-L135 VanDerWaalsContact C-N 3.27Å; M133-L135 PolarHBondContact O-N 3.41Å; L135-Q138 PolarHBondContact O-N 3.39Å; L135-V139 WeakPolarHBondContact O-CG2 3.5Å; L135-V139 PolarHBondContact O-N 2.92Å; L135-F230 HydrophobicContact CB-CE2 4.34Å; L135-F230 HydrophobicContact CB-CZ 4.38Å; L135-F230 HydrophobicContact CG-CE2 4.08Å; L135-F230 HydrophobicContact CG-CZ 4.32Å; L135-Y235 HydrophobicContact CB-CD2 3.89Å; L135-Y235 HydrophobicContact CB-CE2 4.38Å; L135-Y235 HydrophobicContact CD2-CD2 4.09Å
136N91.6Very high92.3Very high50 Ų5073.5 Ų73.527%0.26737%0.37SS..Hα-helixtrans-60-47.2174.1-80.7-12000110.9L132 M133 Q138 V139 E140 Y235L132-N136 PolarHBondContact O-N 2.82Å; M133-N136 PolarHBondContact O-N 3.44Å; N136-Q138 VanDerWaalsContact C-N 3.28Å; N136-Q138 PolarHBondContact O-N 3.07Å; N136-V139 CarbonylContact O-C 3.55Å; N136-V139 PolarHBondContact O-N 2.67Å; N136-V139 VanDerWaalsContact O-N 3.11Å; N136-E140 WeakPolarHBondContact O-CB 3.3Å; N136-E140 WeakPolarHBondContact O-CG 3.48Å; N136-E140 PolarHBondContact O-N 3.35Å; N136-Y235 WeakPolarHBondContact OD1-CE2 3.42Å; N136-Y235 PolarHBondContact OD1-OH 3.49Å; N136-Y235 VanDerWaalsContact OD1-OH 3.04Å
137E92.2Very high92.2Very high110 Ų11072.5 Ų72.551%0.51436%0.358SS..Hα-helixtrans-59-39.7177.4-72.8176-175.200112.2M133 C141M133-E137 PolarHBondContact O-N 2.72Å; E137-C141 VanDerWaalsContact O-CB 3.31Å; E137-C141 WeakPolarHBondContact O-CB 3.15Å; E137-C141 PolarHBondContact O-N 2.89Å
138Q89.6Confident92.1Very high103 Ų10378.1 Ų78.148%0.48137%0.371SS..Hα-helixtrans-65.2-43.8174.8-74.6174.653.700111.9P134 L135 N136 C141 M142 F230P134-Q138 VanDerWaalsContact O-CG 3.31Å; P134-Q138 WeakPolarHBondContact O-CG 3.33Å; P134-Q138 PolarHBondContact O-N 3.28Å; P134-Q138 PolarHBondContact O-NE2 3.04Å; L135-Q138 PolarHBondContact O-N 3.39Å; N136-Q138 VanDerWaalsContact C-N 3.28Å; N136-Q138 PolarHBondContact O-N 3.07Å; Q138-C141 PolarHBondContact O-N 3.03Å; Q138-M142 WeakPolarHBondContact O-CG 3.41Å; Q138-M142 PolarHBondContact O-N 3.32Å; Q138-F230 HydrophobicContact CB-CE2 4.35Å
139V91.2Very high92Very high30 Ų3085 Ų8518%0.18240%0.396CS..Hα-helixtrans-64.1-45.6177.1172.60000110.9L135 N136 C141 M142 V143 F230 Y235L135-V139 WeakPolarHBondContact O-CG2 3.5Å; L135-V139 PolarHBondContact O-N 2.92Å; N136-V139 CarbonylContact O-C 3.55Å; N136-V139 PolarHBondContact O-N 2.67Å; N136-V139 VanDerWaalsContact O-N 3.11Å; V139-C141 PolarHBondContact O-N 3.5Å; V139-M142 HydrophobicContact CG2-CE 4.11Å; V139-M142 WeakPolarHBondContact O-CB 3.33Å; V139-M142 PolarHBondContact O-N 3.33Å; V139-M142 VanDerWaalsContact O-N 3.1Å; V139-V143 HydrophobicContact CG1-CG2 4.29Å; V139-V143 WeakPolarHBondContact O-CG2 3.46Å; V139-V143 PolarHBondContact O-N 3.39Å; V139-F230 HydrophobicContact CG2-CE1 3.86Å; V139-F230 HydrophobicContact CG2-CE2 4.09Å; V139-F230 HydrophobicContact CG2-CZ 3.44Å; V139-F230 VanDerWaalsContact CG2-CZ 3.44Å; V139-Y235 HydrophobicContact CG2-CE1 4.36Å; V139-Y235 HydrophobicContact CG2-CE2 4.49Å
140E92Very high91.9Very high123 Ų12379.9 Ų79.958%0.57537%0.373SS*.Hα-helixtrans-59.6-45.4176.2-74.8179.417900111.4N136 M142 V143 D144N136-E140 WeakPolarHBondContact O-CB 3.3Å; N136-E140 WeakPolarHBondContact O-CG 3.48Å; N136-E140 PolarHBondContact O-N 3.35Å; E140-M142 VanDerWaalsContact C-N 3.26Å; E140-M142 PolarHBondContact O-N 3.12Å; E140-V143 PolarHBondContact O-N 2.91Å; E140-D144 WeakPolarHBondContact O-CB 3.28Å; E140-D144 PolarHBondContact O-N 3.34Å
141C92.1Very high91.8Very high55 Ų5577.3 Ų77.337%0.37236%0.361SS..Hα-helixtrans-59.5-37.6174.8-173.50000112.2E137 Q138 V139 K145E137-C141 VanDerWaalsContact O-CB 3.31Å; E137-C141 WeakPolarHBondContact O-CB 3.15Å; E137-C141 PolarHBondContact O-N 2.89Å; Q138-C141 PolarHBondContact O-N 3.03Å; V139-C141 PolarHBondContact O-N 3.5Å; C141-K145 WeakPolarHBondContact O-CB 3.39Å; C141-K145 WeakPolarHBondContact O-CD 3.45Å; C141-K145 VanDerWaalsContact O-CG 3.22Å; C141-K145 WeakPolarHBondContact O-CG 3.32Å; C141-K145 PolarHBondContact O-N 3.45Å; C141-K145 VanDerWaalsContact O-N 3.1Å; C141-K145 VanDerWaalsContact SG-CE 3.51Å; C141-K145 PolarHBondContact SG-NZ 3.08Å; C141-K145 VanDerWaalsContact SG-NZ 3.41Å
142M90.4Very high91.9Very high19 Ų1972.6 Ų72.69%0.09435%0.352CS..Hα-helixtrans-70.4-41.6176.4-72.6-172.7-72.400112.4Q138 V139 E140 K145 A146 L221 V225 S228 F230Q138-M142 WeakPolarHBondContact O-CG 3.41Å; Q138-M142 PolarHBondContact O-N 3.32Å; V139-M142 HydrophobicContact CG2-CE 4.11Å; V139-M142 WeakPolarHBondContact O-CB 3.33Å; V139-M142 PolarHBondContact O-N 3.33Å; V139-M142 VanDerWaalsContact O-N 3.1Å; E140-M142 VanDerWaalsContact C-N 3.26Å; E140-M142 PolarHBondContact O-N 3.12Å; M142-K145 PolarHBondContact O-N 2.96Å; M142-A146 WeakPolarHBondContact O-CB 3.47Å; M142-A146 PolarHBondContact O-N 2.88Å; M142-L221 HydrophobicContact CB-CD1 3.95Å; M142-V225 HydrophobicContact CE-CG2 4Å; M142-V225 HydrophobicContact SD-CG2 3.91Å; M142-S228 PolarHBondContact SD-OG 3.03Å; M142-S228 VanDerWaalsContact SD-OG 3.39Å; M142-F230 HydrophobicContact CE-CB 4.46Å; M142-F230 HydrophobicContact CE-CD1 4.35Å; M142-F230 HydrophobicContact CE-CD2 4.15Å; M142-F230 HydrophobicContact CE-CG 4.06Å
143V92.7Very high91.9Very high50 Ų5074.8 Ų74.830%0.30337%0.366SS..Hα-helixtrans-62.4-47.7175.6172.50000110.2V139 E140 K145 A146 D147 L221V139-V143 HydrophobicContact CG1-CG2 4.29Å; V139-V143 WeakPolarHBondContact O-CG2 3.46Å; V139-V143 PolarHBondContact O-N 3.39Å; E140-V143 PolarHBondContact O-N 2.91Å; V143-K145 VanDerWaalsContact C-N 3.32Å; V143-K145 PolarHBondContact O-N 3.38Å; V143-A146 WeakPolarHBondContact O-CB 3.5Å; V143-A146 PolarHBondContact O-N 3.29Å; V143-A146 VanDerWaalsContact O-N 3.09Å; V143-D147 WeakPolarHBondContact O-CB 3.42Å; V143-D147 PolarHBondContact O-N 3Å; V143-L221 HydrophobicContact CG2-CD1 3.75Å; V143-L221 HydrophobicContact CG2-CD2 4.01Å
144D93.6Very high92Very high89 Ų8973 Ų7348%0.47636%0.358SS..Hα-helixtrans-58.9-42.3176.8-87.9-6.9000112.5E140 D147 R148E140-D144 WeakPolarHBondContact O-CB 3.28Å; E140-D144 PolarHBondContact O-N 3.34Å; D144-D147 PolarHBondContact O-N 3.35Å; D144-R148 WeakPolarHBondContact O-CB 3.48Å; D144-R148 VanDerWaalsContact O-CG 3.26Å; D144-R148 WeakPolarHBondContact O-CG 3.49Å; D144-R148 PolarHBondContact O-N 2.99Å
145K92.4Very high92.1Very high122 Ų12278.6 Ų78.653%0.5337%0.372SS..Hα-helixtrans-64.3-41.5175.6-77170-177.2166.50111.5C141 M142 V143 R149C141-K145 WeakPolarHBondContact O-CB 3.39Å; C141-K145 WeakPolarHBondContact O-CD 3.45Å; C141-K145 VanDerWaalsContact O-CG 3.22Å; C141-K145 WeakPolarHBondContact O-CG 3.32Å; C141-K145 PolarHBondContact O-N 3.45Å; C141-K145 VanDerWaalsContact O-N 3.1Å; C141-K145 VanDerWaalsContact SG-CE 3.51Å; C141-K145 PolarHBondContact SG-NZ 3.08Å; C141-K145 VanDerWaalsContact SG-NZ 3.41Å; M142-K145 PolarHBondContact O-N 2.96Å; V143-K145 VanDerWaalsContact C-N 3.32Å; V143-K145 PolarHBondContact O-N 3.38Å; K145-R149 WeakPolarHBondContact O-CG 3.33Å; K145-R149 PolarHBondContact O-N 2.89Å; K145-R149 VanDerWaalsContact O-N 3.14Å
146A93.1Very high92.3Very high4 Ų483.5 Ų83.53%0.03339%0.392CS..Hα-helixtrans-64.6-44.1176.700000111.3M142 V143 R149 T150 L221M142-A146 WeakPolarHBondContact O-CB 3.47Å; M142-A146 PolarHBondContact O-N 2.88Å; V143-A146 WeakPolarHBondContact O-CB 3.5Å; V143-A146 PolarHBondContact O-N 3.29Å; V143-A146 VanDerWaalsContact O-N 3.09Å; A146-R149 PolarHBondContact O-N 2.94Å; A146-T150 PolarHBondContact O-N 3.41Å; A146-T150 PolarHBondContact O-OG1 3.11Å; A146-T150 VanDerWaalsContact O-OG1 3.1Å; A146-L221 HydrophobicContact CB-CB 4.18Å
147D92.5Very high92.3Very high48 Ų4882.7 Ų82.726%0.25740%0.395SS..Hα-helixtrans-64.6-43178.5-91.411.9000112.8V143 D144 R149 T150 K151 T217V143-D147 WeakPolarHBondContact O-CB 3.42Å; V143-D147 PolarHBondContact O-N 3Å; D144-D147 PolarHBondContact O-N 3.35Å; D147-R149 VanDerWaalsContact C-N 3.33Å; D147-R149 PolarHBondContact O-N 2.97Å; D147-T150 PolarHBondContact O-N 3.41Å; D147-K151 WeakPolarHBondContact O-CB 3.49Å; D147-K151 VanDerWaalsContact O-CG 3.32Å; D147-K151 WeakPolarHBondContact O-CG 3.27Å; D147-K151 PolarHBondContact O-N 3.49Å; D147-T217 WeakPolarHBondContact OD1-CG2 3.31Å
148R92.9Very high92.3Very high175 Ų17582.1 Ų82.166%0.6640%0.395SS*.Hα-helixtrans-60-45.4174.3-73.1175.9-167-156.85110.8D144 K151 T152D144-R148 WeakPolarHBondContact O-CB 3.48Å; D144-R148 VanDerWaalsContact O-CG 3.26Å; D144-R148 WeakPolarHBondContact O-CG 3.49Å; D144-R148 PolarHBondContact O-N 2.99Å; R148-K151 PolarHBondContact O-N 3.14Å; R148-T152 PolarHBondContact O-N 3.41Å; R148-T152 PolarHBondContact O-OG1 2.94Å; R148-T152 VanDerWaalsContact O-OG1 3.06Å
149R91.7Very high92.7Very high151 Ų15181 Ų8157%0.5740%0.398SS*.Hα-helixtrans-61.3-44.8176.2-74.7178.2178.7-175.5-0.1111.8K145 A146 D147 T152 T153 Y220K145-R149 WeakPolarHBondContact O-CG 3.33Å; K145-R149 PolarHBondContact O-N 2.89Å; K145-R149 VanDerWaalsContact O-N 3.14Å; A146-R149 PolarHBondContact O-N 2.94Å; D147-R149 VanDerWaalsContact C-N 3.33Å; D147-R149 PolarHBondContact O-N 2.97Å; R149-T152 PolarHBondContact O-N 3.02Å; R149-T153 PolarHBondContact O-N 2.89Å; R149-T153 PolarHBondContact O-OG1 3.06Å; R149-T153 VanDerWaalsContact O-OG1 3.09Å; R149-Y220 HydrophobicContact CB-CD2 4.18Å; R149-Y220 HydrophobicContact CB-CE2 4.22Å; R149-Y220 HydrophobicContact CB-CG 4.46Å
150T91.9Very high92.8Very high1 Ų187 Ų871%0.00642%0.418CS..Hα-helixtrans-61.5-45.6176.1-58.40000111.8A146 D147 T152 T153 L154 K213 I216 T217A146-T150 PolarHBondContact O-N 3.41Å; A146-T150 PolarHBondContact O-OG1 3.11Å; A146-T150 VanDerWaalsContact O-OG1 3.1Å; D147-T150 PolarHBondContact O-N 3.41Å; T150-T152 VanDerWaalsContact C-N 3.31Å; T150-T152 PolarHBondContact O-N 3.06Å; T150-T153 PolarHBondContact O-N 3.32Å; T150-T153 VanDerWaalsContact O-N 3.17Å; T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 HydrophobicContact CG2-CG 4.28Å; T150-L154 VanDerWaalsContact O-CG 3.3Å; T150-L154 WeakPolarHBondContact O-CG 3.23Å; T150-L154 PolarHBondContact O-N 3.22Å; T150-K213 HydrophobicContact CG2-CG 3.91Å; T150-I216 HydrophobicContact CG2-CB 4.01Å; T150-I216 HydrophobicContact CG2-CG2 3.77Å; T150-I216 WeakPolarHBondContact OG1-CG2 3.34Å; T150-T217 HydrophobicContact CG2-CG2 3.79Å; T150-T217 WeakPolarHBondContact OG1-CA 3.34Å; T150-T217 WeakPolarHBondContact OG1-CG2 3.45Å; T150-T217 PolarHBondContact OG1-N 3.3Å
151K91.6Very high92.8Very high113 Ų11385.7 Ų85.749%0.49142%0.415SS..Hα-helixtrans-58.8-43.8176.5-74.3172.7-177.4173.40111.4D147 R148 L154 W155D147-K151 WeakPolarHBondContact O-CB 3.49Å; D147-K151 VanDerWaalsContact O-CG 3.32Å; D147-K151 WeakPolarHBondContact O-CG 3.27Å; D147-K151 PolarHBondContact O-N 3.49Å; R148-K151 PolarHBondContact O-N 3.14Å; K151-L154 PolarHBondContact O-N 3.09Å; K151-W155 VanDerWaalsContact O-CD1 3.28Å; K151-W155 PolarHBondContact O-N 2.88Å
152T93.1Very high93Very high73 Ų7385.2 Ų85.245%0.44842%0.419SS..Hα-helixtrans-60.1-46.7174.7-62.90000111.3R148 R149 T150 L154 W155 F156R148-T152 PolarHBondContact O-N 3.41Å; R148-T152 PolarHBondContact O-OG1 2.94Å; R148-T152 VanDerWaalsContact O-OG1 3.06Å; R149-T152 PolarHBondContact O-N 3.02Å; T150-T152 VanDerWaalsContact C-N 3.31Å; T150-T152 PolarHBondContact O-N 3.06Å; T152-L154 VanDerWaalsContact C-N 3.33Å; T152-L154 PolarHBondContact O-N 3.28Å; T152-W155 PolarHBondContact O-N 3.47Å; T152-F156 HydrophobicContact CG2-CD2 3.61Å; T152-F156 HydrophobicContact CG2-CE2 3.35Å; T152-F156 WeakPolarHBondContact O-CD2 3.39Å; T152-F156 PolarHBondContact O-N 2.88Å
153T92.4Very high93.2Very high55 Ų5586.8 Ų86.834%0.33744%0.435SS..Hα-helixtrans-60.4-40175.7-58.30000112.5R149 T150 F156 G157 Y220R149-T153 PolarHBondContact O-N 2.89Å; R149-T153 PolarHBondContact O-OG1 3.06Å; R149-T153 VanDerWaalsContact O-OG1 3.09Å; T150-T153 PolarHBondContact O-N 3.32Å; T150-T153 VanDerWaalsContact O-N 3.17Å; T153-F156 WeakPolarHBondContact O-CB 3.46Å; T153-F156 PolarHBondContact O-N 3.41Å; T153-G157 PolarHBondContact O-N 2.81Å; T153-Y220 PolarHBondContact OG1-OH 2.87Å
154L92.2Very high93.2Very high68 Ų6887 Ų8736%0.35643%0.433SS..Hα-helixtrans-64.8-43.7176-69.7171000111.6T150 K151 T152 G157 L158 K213T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 HydrophobicContact CG2-CG 4.28Å; T150-L154 VanDerWaalsContact O-CG 3.3Å; T150-L154 WeakPolarHBondContact O-CG 3.23Å; T150-L154 PolarHBondContact O-N 3.22Å; K151-L154 PolarHBondContact O-N 3.09Å; T152-L154 VanDerWaalsContact C-N 3.33Å; T152-L154 PolarHBondContact O-N 3.28Å; L154-G157 PolarHBondContact O-N 3.43Å; L154-G157 VanDerWaalsContact O-N 3.17Å; L154-L158 PolarHBondContact O-N 3.45Å; L154-K213 HydrophobicContact CD1-CB 4.31Å; L154-K213 HydrophobicContact CD1-CD 4.27Å; L154-K213 HydrophobicContact CD1-CG 4.03Å
155W93.5Very high93Very high173 Ų17385.5 Ų85.566%0.65543%0.433SS*.Hα-helixtrans-63.5-38.8173.6-86.7105.1000112.4K151 T152 G157 L158 C159K151-W155 VanDerWaalsContact O-CD1 3.28Å; K151-W155 PolarHBondContact O-N 2.88Å; T152-W155 PolarHBondContact O-N 3.47Å; W155-G157 VanDerWaalsContact C-N 3.3Å; W155-G157 PolarHBondContact O-N 2.99Å; W155-L158 HydrophobicContact CE3-CD2 3.78Å; W155-L158 HydrophobicContact CH2-CD2 4.31Å; W155-L158 HydrophobicContact CZ3-CD2 3.56Å; W155-L158 WeakPolarHBondContact O-CB 3.33Å; W155-L158 PolarHBondContact O-N 2.94Å; W155-L158 VanDerWaalsContact O-N 3.16Å; W155-C159 PolarHBondContact O-N 3.37Å; W155-C159 PolarHBondContact O-SG 3.3Å; W155-C159 VanDerWaalsContact O-SG 3.4Å
156F94.9Very high93.1Very high141 Ų14181.7 Ų81.762%0.61843%0.428SS*.Hα-helixtrans-59.6-40.8171.4-85.8-67.9000111.9T152 T153 L158 C159 Y160T152-F156 HydrophobicContact CG2-CD2 3.61Å; T152-F156 HydrophobicContact CG2-CE2 3.35Å; T152-F156 WeakPolarHBondContact O-CD2 3.39Å; T152-F156 PolarHBondContact O-N 2.88Å; T153-F156 WeakPolarHBondContact O-CB 3.46Å; T153-F156 PolarHBondContact O-N 3.41Å; F156-L158 VanDerWaalsContact C-N 3.33Å; F156-L158 PolarHBondContact O-N 3.39Å; F156-C159 PolarHBondContact O-N 2.94Å; F156-Y160 WeakPolarHBondContact O-CB 3.44Å; F156-Y160 PolarHBondContact O-N 3.29Å
157G92Very high92.9Very high33 Ų3386.4 Ų86.434%0.3445%0.452SS..Hα-helixtrans-60.4-40.817300000112.8T153 L154 W155 Y160 L161T153-G157 PolarHBondContact O-N 2.81Å; L154-G157 PolarHBondContact O-N 3.43Å; L154-G157 VanDerWaalsContact O-N 3.17Å; W155-G157 VanDerWaalsContact C-N 3.3Å; W155-G157 PolarHBondContact O-N 2.99Å; G157-Y160 PolarHBondContact O-N 2.89Å; G157-L161 WeakPolarHBondContact O-CG 3.39Å; G157-L161 PolarHBondContact O-N 3.35Å
158L93.7Very high92.7Very high99 Ų9985.9 Ų85.952%0.51845%0.449SS..Hα-helixtrans-66.2-44.6174.8-176.563000112.1L154 W155 F156 Y160 L161 G162L154-L158 PolarHBondContact O-N 3.45Å; W155-L158 HydrophobicContact CE3-CD2 3.78Å; W155-L158 HydrophobicContact CH2-CD2 4.31Å; W155-L158 HydrophobicContact CZ3-CD2 3.56Å; W155-L158 WeakPolarHBondContact O-CB 3.33Å; W155-L158 PolarHBondContact O-N 2.94Å; W155-L158 VanDerWaalsContact O-N 3.16Å; F156-L158 VanDerWaalsContact C-N 3.33Å; F156-L158 PolarHBondContact O-N 3.39Å; L158-Y160 VanDerWaalsContact C-N 3.3Å; L158-Y160 PolarHBondContact O-N 3.42Å; L158-L161 PolarHBondContact O-N 2.96Å; L158-G162 PolarHBondContact O-N 2.92Å
159C96.4Very high92.5Very high78 Ų7878.9 Ų78.953%0.52743%0.428SS..Hα-helixtrans-60.7-39.3174.6-70.10000111.9W155 F156 G162 A163W155-C159 PolarHBondContact O-N 3.37Å; W155-C159 PolarHBondContact O-SG 3.3Å; W155-C159 VanDerWaalsContact O-SG 3.4Å; F156-C159 PolarHBondContact O-N 2.94Å; C159-G162 PolarHBondContact O-N 3Å; C159-A163 VanDerWaalsContact O-CB 3.3Å; C159-A163 WeakPolarHBondContact O-CB 3.38Å; C159-A163 PolarHBondContact O-N 3.48Å
160Y94.1Very high92.4Very high158 Ų15877.1 Ų77.162%0.6242%0.421SS*.Hα-helixtrans-61.6-48.8175.6172.1-95.1000111.6F156 G157 L158 G162 A163 Q164F156-Y160 WeakPolarHBondContact O-CB 3.44Å; F156-Y160 PolarHBondContact O-N 3.29Å; G157-Y160 PolarHBondContact O-N 2.89Å; L158-Y160 VanDerWaalsContact C-N 3.3Å; L158-Y160 PolarHBondContact O-N 3.42Å; Y160-G162 VanDerWaalsContact C-N 3.34Å; Y160-G162 PolarHBondContact O-N 3.47Å; Y160-A163 PolarHBondContact O-N 3.31Å; Y160-Q164 VanDerWaalsContact CE1-OE1 3.32Å; Y160-Q164 VanDerWaalsContact O-CB 3.32Å; Y160-Q164 WeakPolarHBondContact O-CB 3.27Å; Y160-Q164 PolarHBondContact O-N 3.21Å
161L92.4Very high92.3Very high95 Ų9579.6 Ų79.650%0.49743%0.434SS..Hα-helixtrans-62.8-39.7176.9-70.1172000112.1G157 L158 Q164 A165G157-L161 WeakPolarHBondContact O-CG 3.39Å; G157-L161 PolarHBondContact O-N 3.35Å; L158-L161 PolarHBondContact O-N 2.96Å; L161-Q164 PolarHBondContact O-N 3.39Å; L161-A165 PolarHBondContact O-N 3.1Å
162G95.4Very high92Very high45 Ų4575.3 Ų75.346%0.46442%0.418SS..Hα-helixtrans-65.8-43.3175.600000113L158 C159 Y160 A165 G166L158-G162 PolarHBondContact O-N 2.92Å; C159-G162 PolarHBondContact O-N 3Å; Y160-G162 VanDerWaalsContact C-N 3.34Å; Y160-G162 PolarHBondContact O-N 3.47Å; G162-A165 PolarHBondContact O-N 2.94Å; G162-G166 PolarHBondContact O-N 2.66Å
163A95Very high91.5Very high52 Ų5281.7 Ų81.743%0.4343%0.434SS..Hα-helixtrans-63.4-42.1174.700000111.3C159 Y160 A165 G166 I167C159-A163 VanDerWaalsContact O-CB 3.3Å; C159-A163 WeakPolarHBondContact O-CB 3.38Å; C159-A163 PolarHBondContact O-N 3.48Å; Y160-A163 PolarHBondContact O-N 3.31Å; A163-A165 PolarHBondContact O-N 2.98Å; A163-G166 PolarHBondContact O-N 3.1Å; A163-I167 WeakPolarHBondContact O-CB 3.1Å; A163-I167 WeakPolarHBondContact O-CD1 3.38Å; A163-I167 WeakPolarHBondContact O-CG1 3.32Å; A163-I167 PolarHBondContact O-N 3.28Å
164Q92.1Very high91Very high54 Ų5487.8 Ų87.825%0.25245%0.451SS..Hα-helixtrans-58.8-45.4175.1-178-176-34.800111.4Y160 L161 L168Y160-Q164 VanDerWaalsContact CE1-OE1 3.32Å; Y160-Q164 VanDerWaalsContact O-CB 3.32Å; Y160-Q164 WeakPolarHBondContact O-CB 3.27Å; Y160-Q164 PolarHBondContact O-N 3.21Å; L161-Q164 PolarHBondContact O-N 3.39Å; Q164-L168 HydrophobicContact CG-CD1 4.35Å; Q164-L168 WeakPolarHBondContact O-CB 3.31Å; Q164-L168 VanDerWaalsContact O-CG 3.28Å; Q164-L168 WeakPolarHBondContact O-CG 3.28Å; Q164-L168 PolarHBondContact O-N 2.95Å
165A90.6Very high90.3Very high58 Ų5889.5 Ų89.548%0.47946%0.457SS..Hα-helixtrans-65.1-42.6175.600000112.3L161 G162 A163 L168 A169L161-A165 PolarHBondContact O-N 3.1Å; G162-A165 PolarHBondContact O-N 2.94Å; A163-A165 PolarHBondContact O-N 2.98Å; A165-L168 PolarHBondContact O-N 2.92Å; A165-A169 WeakPolarHBondContact O-CB 3.33Å; A165-A169 PolarHBondContact O-N 3.31Å
166G93Very high89.4Confident42 Ų4287.1 Ų87.143%0.43345%0.449SS..Hα-helixtrans-66-39.7178.400000113.5G162 A163 R170G162-G166 PolarHBondContact O-N 2.66Å; A163-G166 PolarHBondContact O-N 3.1Å; G166-R170 WeakPolarHBondContact O-CB 3.21Å; G166-R170 PolarHBondContact O-N 3.37Å
167I90.1Very high88.7Confident103 Ų10384.8 Ų84.853%0.52845%0.45SS..Hα-helixtrans-63.7-51174.3-69.7164.3000109.5A163 A169 R170 L171A163-I167 WeakPolarHBondContact O-CB 3.1Å; A163-I167 WeakPolarHBondContact O-CD1 3.38Å; A163-I167 WeakPolarHBondContact O-CG1 3.32Å; A163-I167 PolarHBondContact O-N 3.28Å; I167-A169 VanDerWaalsContact C-N 3.33Å; I167-A169 PolarHBondContact O-N 3.49Å; I167-R170 PolarHBondContact O-N 3.25Å; I167-L171 HydrophobicContact CG2-CD1 3.68Å; I167-L171 WeakPolarHBondContact O-CD1 3.43Å; I167-L171 PolarHBondContact O-N 3.49Å
168L88.6Confident88.3Confident37 Ų3790.7 Ų90.719%0.19446%0.462CS..Hα-helixtrans-58.3-45.1178.1-72.6172.9000111.7Q164 A165 R170 L171 T172 M181 V184 T185Q164-L168 HydrophobicContact CG-CD1 4.35Å; Q164-L168 WeakPolarHBondContact O-CB 3.31Å; Q164-L168 VanDerWaalsContact O-CG 3.28Å; Q164-L168 WeakPolarHBondContact O-CG 3.28Å; Q164-L168 PolarHBondContact O-N 2.95Å; A165-L168 PolarHBondContact O-N 2.92Å; L168-R170 PolarHBondContact O-N 3.29Å; L168-L171 PolarHBondContact O-N 2.95Å; L168-T172 VanDerWaalsContact O-CG2 3.32Å; L168-T172 WeakPolarHBondContact O-CG2 3.43Å; L168-T172 PolarHBondContact O-N 2.78Å; L168-T172 PolarHBondContact O-OG1 2.89Å; L168-M181 HydrophobicContact CD2-CE 3.55Å; L168-V184 HydrophobicContact CD2-CG1 4.41Å; L168-T185 HydrophobicContact CD1-CG2 4.43Å; L168-T185 HydrophobicContact CD2-CG2 4.2Å
169A88.7Confident87.8Confident27 Ų2792.2 Ų92.222%0.22347%0.471CS..Hα-helixtrans-59.1-44.5176.300000112.8A165 I167 T172 W173A165-A169 WeakPolarHBondContact O-CB 3.33Å; A165-A169 PolarHBondContact O-N 3.31Å; I167-A169 VanDerWaalsContact C-N 3.33Å; I167-A169 PolarHBondContact O-N 3.49Å; A169-T172 WeakPolarHBondContact CA-OG1 3.31Å; A169-T172 PolarHBondContact O-N 2.9Å; A169-T172 PolarHBondContact O-OG1 3.01Å; A169-W173 HydrophobicContact CB-CE3 4.01Å; A169-W173 HydrophobicContact CB-CH2 4.33Å; A169-W173 HydrophobicContact CB-CZ3 3.59Å; A169-W173 PolarHBondContact O-N 2.66Å
170R89.8Confident87.2Confident114 Ų11492.4 Ų92.443%0.4347%0.469SS..Hα-helixtrans-63.1-46.3177.7-174.661174.470.1-9110.9G166 I167 L168 T172 W174 E175G166-R170 WeakPolarHBondContact O-CB 3.21Å; G166-R170 PolarHBondContact O-N 3.37Å; I167-R170 PolarHBondContact O-N 3.25Å; L168-R170 PolarHBondContact O-N 3.29Å; R170-T172 PolarHBondContact O-N 3.33Å; R170-W174 VanDerWaalsContact CD-CD1 3.49Å; R170-W174 VanDerWaalsContact CZ-CG 3.5Å; R170-W174 PolarHBondContact O-N 3.3Å; R170-E175 IonicContact CZ-OE1 3.12Å; R170-E175 IonicContact CZ-OE2 3.98Å; R170-E175 IonicContact NH1-OE1 2.88Å; R170-E175 PolarHBondContact NH1-OE1 2.94Å; R170-E175 IonicContact NH1-OE2 3.12Å; R170-E175 PolarHBondContact NH1-OE2 3.11Å; R170-E175 IonicContact NH2-OE1 3.46Å
171L87.7Confident86.9Confident53 Ų5385.1 Ų85.128%0.27744%0.441SS..Iπ-helixtrans-62.4-41.7178.7-89.677.6000111.8I167 L168 W173 E175 Y176 M181I167-L171 HydrophobicContact CG2-CD1 3.68Å; I167-L171 WeakPolarHBondContact O-CD1 3.43Å; I167-L171 PolarHBondContact O-N 3.49Å; L168-L171 PolarHBondContact O-N 2.95Å; L171-W173 PolarHBondContact O-N 3.04Å; L171-E175 PolarHBondContact O-N 3.44Å; L171-Y176 HydrophobicContact CB-CD2 4.39Å; L171-Y176 HydrophobicContact CD2-CD2 4.27Å; L171-Y176 HydrophobicContact CD2-CE2 4.47Å; L171-Y176 HydrophobicContact CG-CD2 4.23Å; L171-Y176 PolarHBondContact O-N 3.04Å; L171-Y176 VanDerWaalsContact O-O 3.09Å; L171-M181 HydrophobicContact CB-CE 3.82Å; L171-M181 HydrophobicContact CB-SD 3.93Å; L171-M181 HydrophobicContact CD2-CE 3.86Å; L171-M181 HydrophobicContact CD2-SD 3.88Å
172T86.7Confident86.7Confident24 Ų2483.9 Ų83.915%0.14743%0.432CS..Iπ-helixtrans-72.4-23.4-176.149.30000115.2L168 A169 R170 Y176 W178 M181L168-T172 VanDerWaalsContact O-CG2 3.32Å; L168-T172 WeakPolarHBondContact O-CG2 3.43Å; L168-T172 PolarHBondContact O-N 2.78Å; L168-T172 PolarHBondContact O-OG1 2.89Å; A169-T172 WeakPolarHBondContact CA-OG1 3.31Å; A169-T172 PolarHBondContact O-N 2.9Å; A169-T172 PolarHBondContact O-OG1 3.01Å; R170-T172 PolarHBondContact O-N 3.33Å; T172-Y176 CarbonylContact C-O 3.48Å; T172-Y176 VanDerWaalsContact C-O 3.25Å; T172-Y176 WeakPolarHBondContact CA-O 3.45Å; T172-W178 HydrophobicContact CG2-CE3 3.93Å; T172-W178 HydrophobicContact CG2-CZ3 3.99Å; T172-M181 HydrophobicContact CG2-CB 3.69Å; T172-M181 HydrophobicContact CG2-CG 3.72Å
173W82.6Confident86.4Confident207 Ų20784.7 Ų84.778%0.78443%0.43SS*.Iπ-helixtrans-104.7-26.4-175.7-74.7-46.8000114.8A169 L171A169-W173 HydrophobicContact CB-CE3 4.01Å; A169-W173 HydrophobicContact CB-CH2 4.33Å; A169-W173 HydrophobicContact CB-CZ3 3.59Å; A169-W173 PolarHBondContact O-N 2.66Å; L171-W173 PolarHBondContact O-N 3.04Å
174W81Confident86.1Confident182 Ų18285.2 Ų85.269%0.68943%0.428SS*.Iπ-helixtrans-115.1-42.7-171-70.486.8000113.6R170R170-W174 VanDerWaalsContact CD-CD1 3.49Å; R170-W174 VanDerWaalsContact CZ-CG 3.5Å; R170-W174 PolarHBondContact O-N 3.3Å
175E77.9Confident85.9Confident105 Ų10584.1 Ų84.149%0.49142%0.424SS..Iπ-helixtrans-102.4-38.5-175.9-78.973.3-144.500114.1R170 L171R170-E175 IonicContact CZ-OE1 3.12Å; R170-E175 IonicContact CZ-OE2 3.98Å; R170-E175 IonicContact NH1-OE1 2.88Å; R170-E175 PolarHBondContact NH1-OE1 2.94Å; R170-E175 IonicContact NH1-OE2 3.12Å; R170-E175 PolarHBondContact NH1-OE2 3.11Å; R170-E175 IonicContact NH2-OE1 3.46Å; L171-E175 PolarHBondContact O-N 3.44Å
176Y75.1Confident86Confident122 Ų12288.5 Ų88.548%0.47843%0.429SS..SBendtrans-131.7130.1-170.3-63.3-73.7000110.6L171 T172 V180L171-Y176 HydrophobicContact CB-CD2 4.39Å; L171-Y176 HydrophobicContact CD2-CD2 4.27Å; L171-Y176 HydrophobicContact CD2-CE2 4.47Å; L171-Y176 HydrophobicContact CG-CD2 4.23Å; L171-Y176 PolarHBondContact O-N 3.04Å; L171-Y176 VanDerWaalsContact O-O 3.09Å; T172-Y176 CarbonylContact C-O 3.48Å; T172-Y176 VanDerWaalsContact C-O 3.25Å; T172-Y176 WeakPolarHBondContact CA-O 3.45Å; Y176-V180 HydrophobicContact CD1-CB 4.48Å; Y176-V180 HydrophobicContact CD1-CG1 4.01Å; Y176-V180 HydrophobicContact CG-CG1 4.48Å
177S80.5Confident86Confident92 Ų9292.9 Ų92.964%0.64344%0.437SS*.  trans-64.5156.3170.6-56.30000110.9D179 V180S177-D179 PolarHBondContact O-N 2.99Å; S177-V180 PolarHBondContact O-N 3.25Å
178W83.3Confident86.1Confident158 Ų15890.2 Ų90.260%0.59843%0.425SS*.Hα-helixtrans-48.8-37.3-179.3-175-107.8000113.7T172 V180 M181 E182T172-W178 HydrophobicContact CG2-CE3 3.93Å; T172-W178 HydrophobicContact CG2-CZ3 3.99Å; W178-V180 VanDerWaalsContact C-N 3.25Å; W178-V180 PolarHBondContact O-N 3.39Å; W178-M181 PolarHBondContact O-N 2.87Å; W178-M181 VanDerWaalsContact O-N 3.09Å; W178-E182 PolarHBondContact O-N 2.73Å
179D84Confident86.2Confident131 Ų13193 Ų9370%0.70144%0.444SS*.Hα-helixtrans-56.4-33.7179.4-162.444.7000113.7S177S177-D179 PolarHBondContact O-N 2.99Å
180V83.6Confident86.5Confident81 Ų8198.9 Ų98.949%0.49146%0.461SS..Hα-helixtrans-83.9-31.2178.3179.80000111.9Y176 S177 W178 P183Y176-V180 HydrophobicContact CD1-CB 4.48Å; Y176-V180 HydrophobicContact CD1-CG1 4.01Å; Y176-V180 HydrophobicContact CG-CG1 4.48Å; S177-V180 PolarHBondContact O-N 3.25Å; W178-V180 VanDerWaalsContact C-N 3.25Å; W178-V180 PolarHBondContact O-N 3.39Å; V180-P183 WeakPolarHBondContact O-CD 3.46Å; V180-P183 WeakPolarHBondContact O-CG 3.38Å
181M87.5Confident86.6Confident5 Ų598.2 Ų98.23%0.02546%0.464CS..Hα-helixtrans-86.8-20.1-174.9-70.8-59.4-61.200113.7L168 L171 T172 W178 V184 T185L168-M181 HydrophobicContact CD2-CE 3.55Å; L171-M181 HydrophobicContact CB-CE 3.82Å; L171-M181 HydrophobicContact CB-SD 3.93Å; L171-M181 HydrophobicContact CD2-CE 3.86Å; L171-M181 HydrophobicContact CD2-SD 3.88Å; T172-M181 HydrophobicContact CG2-CB 3.69Å; T172-M181 HydrophobicContact CG2-CG 3.72Å; W178-M181 PolarHBondContact O-N 2.87Å; W178-M181 VanDerWaalsContact O-N 3.09Å; M181-V184 HydrophobicContact CE-CB 4.27Å; M181-V184 HydrophobicContact CE-CG1 4.22Å; M181-V184 WeakPolarHBondContact O-CB 3.42Å; M181-V184 PolarHBondContact O-N 3.1Å; M181-V184 VanDerWaalsContact O-N 3.09Å; M181-T185 PolarHBondContact O-N 3.43Å; M181-T185 PolarHBondContact O-OG1 3.46Å
182E86.7Confident86.8Confident69 Ų6997.6 Ų97.632%0.32247%0.471SS..Hα-helixtrans-47.5-57.2176.7178.7166.4-163.100112.8W178 V184 T185 Y186W178-E182 PolarHBondContact O-N 2.73Å; E182-V184 VanDerWaalsContact C-N 3.28Å; E182-V184 PolarHBondContact O-N 3.2Å; E182-T185 PolarHBondContact O-N 2.91Å; E182-T185 PolarHBondContact O-OG1 3.41Å; E182-Y186 HydrophobicContact CG-CD2 3.82Å; E182-Y186 HydrophobicContact CG-CE2 3.32Å; E182-Y186 WeakPolarHBondContact O-CD2 3.22Å; E182-Y186 PolarHBondContact O-N 3.1Å; E182-Y186 VanDerWaalsContact O-N 3.17Å; E182-Y186 WeakPolarHBondContact OE1-CE2 3.3Å; E182-Y186 PolarHBondContact OE1-OH 3.02Å
183P90Very high87.2Confident63 Ų63100.8 Ų100.841%0.40949%0.49SS..Hα-helixtrans-60.9-35.5178.623.5-34.4000113.3V180 Y186 F187V180-P183 WeakPolarHBondContact O-CD 3.46Å; V180-P183 WeakPolarHBondContact O-CG 3.38Å; P183-Y186 PolarHBondContact O-N 3.21Å; P183-F187 WeakPolarHBondContact O-CD2 3.45Å; P183-F187 PolarHBondContact O-N 2.86Å
184V88.3Confident87.7Confident63 Ų6395 Ų9538%0.38247%0.474SS..Hα-helixtrans-64.7-46.4-179.3-179.70000110.6L168 M181 E182 Y186 F187 V188L168-V184 HydrophobicContact CD2-CG1 4.41Å; M181-V184 HydrophobicContact CE-CB 4.27Å; M181-V184 HydrophobicContact CE-CG1 4.22Å; M181-V184 WeakPolarHBondContact O-CB 3.42Å; M181-V184 PolarHBondContact O-N 3.1Å; M181-V184 VanDerWaalsContact O-N 3.09Å; E182-V184 VanDerWaalsContact C-N 3.28Å; E182-V184 PolarHBondContact O-N 3.2Å; V184-Y186 VanDerWaalsContact C-N 3.32Å; V184-Y186 PolarHBondContact O-N 2.85Å; V184-F187 PolarHBondContact O-N 2.81Å; V184-V188 HydrophobicContact CG1-CG2 4.43Å; V184-V188 WeakPolarHBondContact O-CB 3.32Å; V184-V188 VanDerWaalsContact O-CG2 3.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.44Å; V184-V188 PolarHBondContact O-N 3.32Å
185T89.5Confident88.4Confident30 Ų3092.6 Ų92.618%0.18447%0.474CS..Hα-helixtrans-64.4-36.5178.360.90000112.4L168 M181 E182 V188 T189L168-T185 HydrophobicContact CD1-CG2 4.43Å; L168-T185 HydrophobicContact CD2-CG2 4.2Å; M181-T185 PolarHBondContact O-N 3.43Å; M181-T185 PolarHBondContact O-OG1 3.46Å; E182-T185 PolarHBondContact O-N 2.91Å; E182-T185 PolarHBondContact O-OG1 3.41Å; T185-V188 PolarHBondContact O-N 3.3Å; T185-T189 WeakPolarHBondContact O-CB 3.42Å; T185-T189 PolarHBondContact O-N 2.84Å; T185-T189 PolarHBondContact O-OG1 3.42Å
186Y91.3Very high88.9Confident150 Ų15089.7 Ų89.759%0.58847%0.466SS*.Hα-helixtrans-61.2-49.6171.4-76.5-60.5000111.8E182 P183 V184 V188 T189 Y190E182-Y186 HydrophobicContact CG-CD2 3.82Å; E182-Y186 HydrophobicContact CG-CE2 3.32Å; E182-Y186 WeakPolarHBondContact O-CD2 3.22Å; E182-Y186 PolarHBondContact O-N 3.1Å; E182-Y186 VanDerWaalsContact O-N 3.17Å; E182-Y186 WeakPolarHBondContact OE1-CE2 3.3Å; E182-Y186 PolarHBondContact OE1-OH 3.02Å; P183-Y186 PolarHBondContact O-N 3.21Å; V184-Y186 VanDerWaalsContact C-N 3.32Å; V184-Y186 PolarHBondContact O-N 2.85Å; Y186-V188 VanDerWaalsContact C-N 3.33Å; Y186-V188 PolarHBondContact O-N 3.1Å; Y186-T189 PolarHBondContact O-N 2.94Å; Y186-Y190 VanDerWaalsContact O-CB 3.29Å; Y186-Y190 WeakPolarHBondContact O-CB 3.44Å; Y186-Y190 PolarHBondContact O-N 3.48Å
187F93.4Very high89.7Confident135 Ų13590.4 Ų90.459%0.59247%0.468SS*.Hα-helixtrans-60.6-42.2178-80.9-63.4000112.1P183 V184 T189 Y190 M191P183-F187 WeakPolarHBondContact O-CD2 3.45Å; P183-F187 PolarHBondContact O-N 2.86Å; V184-F187 PolarHBondContact O-N 2.81Å; F187-T189 PolarHBondContact O-N 2.85Å; F187-Y190 PolarHBondContact O-N 2.99Å; F187-M191 WeakPolarHBondContact O-CB 3.29Å; F187-M191 WeakPolarHBondContact O-CG 3.46Å; F187-M191 PolarHBondContact O-N 3.4Å
188V91.9Very high90.4Very high47 Ų4787.2 Ų87.229%0.28545%0.45SS..Hα-helixtrans-61.5-45.1178.1166.50000111.7V184 T185 Y186 M191 G192V184-V188 HydrophobicContact CG1-CG2 4.43Å; V184-V188 WeakPolarHBondContact O-CB 3.32Å; V184-V188 VanDerWaalsContact O-CG2 3.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.44Å; V184-V188 PolarHBondContact O-N 3.32Å; T185-V188 PolarHBondContact O-N 3.3Å; Y186-V188 VanDerWaalsContact C-N 3.33Å; Y186-V188 PolarHBondContact O-N 3.1Å; V188-M191 PolarHBondContact O-N 3.47Å; V188-G192 PolarHBondContact O-N 2.81Å; V188-G192 VanDerWaalsContact O-N 3.1Å
189T91.8Very high90.8Very high94 Ų9481.8 Ų81.858%0.57743%0.43SS*.Hα-helixtrans-65.1-45.4177-550000110.9T185 Y186 F187 M191 G192 V193T185-T189 WeakPolarHBondContact O-CB 3.42Å; T185-T189 PolarHBondContact O-N 2.84Å; T185-T189 PolarHBondContact O-OG1 3.42Å; Y186-T189 PolarHBondContact O-N 2.94Å; F187-T189 PolarHBondContact O-N 2.85Å; T189-M191 VanDerWaalsContact C-N 3.31Å; T189-M191 PolarHBondContact O-N 3.12Å; T189-G192 PolarHBondContact O-N 3.39Å; T189-G192 VanDerWaalsContact O-N 3.11Å; T189-V193 PolarHBondContact O-N 3.46Å; T189-V193 VanDerWaalsContact O-N 3.11Å
190Y93.5Very high91.2Very high151 Ų15179.8 Ų79.859%0.59242%0.415SS*.Hα-helixtrans-60.5-40176.8-173.1-99.9000111.9Y186 F187 G192 V193 L194Y186-Y190 VanDerWaalsContact O-CB 3.29Å; Y186-Y190 WeakPolarHBondContact O-CB 3.44Å; Y186-Y190 PolarHBondContact O-N 3.48Å; F187-Y190 PolarHBondContact O-N 2.99Å; Y190-G192 VanDerWaalsContact C-N 3.34Å; Y190-G192 PolarHBondContact O-N 3.35Å; Y190-V193 PolarHBondContact O-N 2.83Å; Y190-L194 WeakPolarHBondContact O-CB 3.32Å; Y190-L194 PolarHBondContact O-N 3.09Å
191M93.2Very high91.6Very high100 Ų10080.9 Ų80.949%0.49342%0.417SS..Hα-helixtrans-62.3-38.6174-73.8-63.9169.900112.2F187 V188 T189 L194 L195F187-M191 WeakPolarHBondContact O-CB 3.29Å; F187-M191 WeakPolarHBondContact O-CG 3.46Å; F187-M191 PolarHBondContact O-N 3.4Å; V188-M191 PolarHBondContact O-N 3.47Å; T189-M191 VanDerWaalsContact C-N 3.31Å; T189-M191 PolarHBondContact O-N 3.12Å; M191-L194 PolarHBondContact O-N 2.84Å; M191-L194 HydrophobicContact SD-CD2 4.12Å; M191-L195 WeakPolarHBondContact O-CB 3.34Å; M191-L195 VanDerWaalsContact O-CG 3.27Å; M191-L195 WeakPolarHBondContact O-CG 3.26Å; M191-L195 PolarHBondContact O-N 3.42Å
192G91.9Very high91.9Very high41 Ų4187.4 Ų87.442%0.42345%0.451SS..Hα-helixtrans-61-45.9173.800000112.6V188 T189 Y190 L195 S196V188-G192 PolarHBondContact O-N 2.81Å; V188-G192 VanDerWaalsContact O-N 3.1Å; T189-G192 PolarHBondContact O-N 3.39Å; T189-G192 VanDerWaalsContact O-N 3.11Å; Y190-G192 VanDerWaalsContact C-N 3.34Å; Y190-G192 PolarHBondContact O-N 3.35Å; G192-L195 PolarHBondContact O-N 2.94Å; G192-S196 PolarHBondContact O-N 3.28Å
193V93.6Very high92Very high90 Ų9085 Ų8555%0.54544%0.441SS..Hα-helixtrans-63.4-45.7175.2177.90000110.8T189 Y190 L195 S196 Y197T189-V193 PolarHBondContact O-N 3.46Å; T189-V193 VanDerWaalsContact O-N 3.11Å; Y190-V193 PolarHBondContact O-N 2.83Å; V193-L195 PolarHBondContact O-N 2.88Å; V193-S196 PolarHBondContact O-N 2.94Å; V193-S196 PolarHBondContact O-OG 3.39Å; V193-Y197 PolarHBondContact O-N 3.3Å
194L94.8Very high91.9Very high86 Ų8692.5 Ų92.545%0.4546%0.461SS..Hα-helixtrans-59.8-43.2178-17663.9000112.1Y190 M191 Y197 G198Y190-L194 WeakPolarHBondContact O-CB 3.32Å; Y190-L194 PolarHBondContact O-N 3.09Å; M191-L194 PolarHBondContact O-N 2.84Å; M191-L194 HydrophobicContact SD-CD2 4.12Å; L194-Y197 PolarHBondContact O-N 2.9Å; L194-G198 PolarHBondContact O-N 3.1Å
195L93.8Very high91.8Very high131 Ų13193.4 Ų93.469%0.68646%0.462SS*.Hα-helixtrans-64.6-40.9175.7-75.9172.3000112M191 G192 V193 Y197 G198 Y199M191-L195 WeakPolarHBondContact O-CB 3.34Å; M191-L195 VanDerWaalsContact O-CG 3.27Å; M191-L195 WeakPolarHBondContact O-CG 3.26Å; M191-L195 PolarHBondContact O-N 3.42Å; G192-L195 PolarHBondContact O-N 2.94Å; V193-L195 PolarHBondContact O-N 2.88Å; L195-Y197 VanDerWaalsContact C-N 3.33Å; L195-Y197 PolarHBondContact O-N 3.28Å; L195-G198 PolarHBondContact O-N 3.14Å; L195-Y199 WeakPolarHBondContact O-CB 3.45Å; L195-Y199 PolarHBondContact O-N 2.94Å
196S89.8Confident91.6Very high45 Ų4595.1 Ų95.132%0.31547%0.473SS..Hα-helixtrans-62.7-40.6175.878.60000111.8G192 V193 Y199 F200G192-S196 PolarHBondContact O-N 3.28Å; V193-S196 PolarHBondContact O-N 2.94Å; V193-S196 PolarHBondContact O-OG 3.39Å; S196-Y199 PolarHBondContact O-N 2.75Å; S196-F200 PolarHBondContact O-N 2.87Å; S196-F200 VanDerWaalsContact O-N 3.09Å
197Y92.3Very high91.2Very high136 Ų13693.4 Ų93.453%0.53347%0.466SS..Hα-helixtrans-69.5-40.9175.5-173.3-108.2000111.9V193 L194 L195 Y199 F200 L201V193-Y197 PolarHBondContact O-N 3.3Å; L194-Y197 PolarHBondContact O-N 2.9Å; L195-Y197 VanDerWaalsContact C-N 3.33Å; L195-Y197 PolarHBondContact O-N 3.28Å; Y197-Y199 VanDerWaalsContact C-N 3.34Å; Y197-Y199 PolarHBondContact O-N 3.06Å; Y197-F200 WeakPolarHBondContact O-CB 3.47Å; Y197-F200 PolarHBondContact O-N 3.32Å; Y197-L201 HydrophobicContact CD1-CD1 3.96Å; Y197-L201 HydrophobicContact CD1-CG 4.32Å; Y197-L201 HydrophobicContact CE1-CD1 3.63Å; Y197-L201 HydrophobicContact CE1-CD2 4.32Å; Y197-L201 HydrophobicContact CE1-CG 4.01Å; Y197-L201 WeakPolarHBondContact O-CG 3.46Å; Y197-L201 PolarHBondContact O-N 3.29Å
198G94.5Very high91Very high25 Ų2591.6 Ų91.626%0.25846%0.46SS..Hα-helixtrans-60.1-41.7173.300000112.5L194 L195 F200 L201 I202L194-G198 PolarHBondContact O-N 3.1Å; L195-G198 PolarHBondContact O-N 3.14Å; G198-F200 VanDerWaalsContact C-N 3.35Å; G198-F200 PolarHBondContact O-N 3.49Å; G198-L201 PolarHBondContact O-N 3.48Å; G198-I202 WeakPolarHBondContact O-CG1 3.35Å; G198-I202 PolarHBondContact O-N 3.41Å; G198-I202 VanDerWaalsContact O-N 3.11Å
199Y92Very high90.7Very high44 Ų4497.3 Ų97.317%0.17348%0.477CS..Hα-helixtrans-60.4-44.4173.2178.9-92.5000111.6L195 S196 Y197 I202 T203 Y207 V212 R215L195-Y199 WeakPolarHBondContact O-CB 3.45Å; L195-Y199 PolarHBondContact O-N 2.94Å; S196-Y199 PolarHBondContact O-N 2.75Å; Y197-Y199 VanDerWaalsContact C-N 3.34Å; Y197-Y199 PolarHBondContact O-N 3.06Å; Y199-I202 PolarHBondContact O-N 3.33Å; Y199-T203 HydrophobicContact CE1-CG2 4.18Å; Y199-T203 WeakPolarHBondContact O-CB 3.1Å; Y199-T203 PolarHBondContact O-N 3.09Å; Y199-T203 PolarHBondContact O-OG1 3.17Å; Y199-Y207 AromaticContact CD1-CD2 3.76Å; Y199-Y207 HydrophobicContact CD1-CD2 3.76Å; Y199-Y207 HydrophobicContact CD1-CG 4.49Å; Y199-Y207 HydrophobicContact CD2-CD2 4.49Å; Y199-Y207 HydrophobicContact CE1-CD2 4.25Å; Y199-Y207 AromaticContact CG-CD2 3.9Å; Y199-Y207 HydrophobicContact CG-CD2 3.9Å; Y199-V212 HydrophobicContact CE1-CG2 3.99Å; Y199-V212 HydrophobicContact CE2-CG2 4.48Å; Y199-R215 PolarHBondContact OH-NH1 2.93Å
200F91.6Very high90.6Very high90 Ų9096.6 Ų96.640%0.39547%0.474SS..Hα-helixtrans-60.7-44.1176.2174.1-99.1000111.9S196 Y197 G198 I202 T203 R204 Q205S196-F200 PolarHBondContact O-N 2.87Å; S196-F200 VanDerWaalsContact O-N 3.09Å; Y197-F200 WeakPolarHBondContact O-CB 3.47Å; Y197-F200 PolarHBondContact O-N 3.32Å; G198-F200 VanDerWaalsContact C-N 3.35Å; G198-F200 PolarHBondContact O-N 3.49Å; F200-I202 PolarHBondContact O-N 2.92Å; F200-T203 PolarHBondContact O-N 3.34Å; F200-R204 WeakPolarHBondContact O-CA 3.19Å; F200-R204 PolarHBondContact O-N 3.36Å; F200-Q205 WeakPolarHBondContact CD2-O 3.37Å
201L93.2Very high90.4Very high103 Ų10391.2 Ų91.254%0.53946%0.457SS..Hα-helixtrans-61.2-41.9177.9-72.3176.6000112.8Y197 G198Y197-L201 HydrophobicContact CD1-CD1 3.96Å; Y197-L201 HydrophobicContact CD1-CG 4.32Å; Y197-L201 HydrophobicContact CE1-CD1 3.63Å; Y197-L201 HydrophobicContact CE1-CD2 4.32Å; Y197-L201 HydrophobicContact CE1-CG 4.01Å; Y197-L201 WeakPolarHBondContact O-CG 3.46Å; Y197-L201 PolarHBondContact O-N 3.29Å; G198-L201 PolarHBondContact O-N 3.48Å
202I91.9Very high90.1Very high142 Ų14287 Ų8773%0.72844%0.437SS*.Hα-helixtrans-74.3-37.1-178.9-66.5162.2000111.5G198 Y199 F200G198-I202 WeakPolarHBondContact O-CG1 3.35Å; G198-I202 PolarHBondContact O-N 3.41Å; G198-I202 VanDerWaalsContact O-N 3.11Å; Y199-I202 PolarHBondContact O-N 3.33Å; F200-I202 PolarHBondContact O-N 2.92Å
203T88.8Confident90Very high20 Ų2088.9 Ų88.912%0.12343%0.433CS..Hα-helixtrans-99.7-22.6-168.7-45.40000113.6Y199 F200 Q205 R215Y199-T203 HydrophobicContact CE1-CG2 4.18Å; Y199-T203 WeakPolarHBondContact O-CB 3.1Å; Y199-T203 PolarHBondContact O-N 3.09Å; Y199-T203 PolarHBondContact O-OG1 3.17Å; F200-T203 PolarHBondContact O-N 3.34Å; T203-Q205 HydrophobicContact CG2-CB 3.87Å; T203-Q205 HydrophobicContact CG2-CG 4.03Å; T203-Q205 PolarHBondContact O-N 2.85Å; T203-R215 VanDerWaalsContact CB-NH1 3.34Å; T203-R215 PolarHBondContact OG1-NH1 3.29Å
204R88.5Confident89.9Confident220 Ų22089.1 Ų89.183%0.8343%0.432SS*.SBendtrans54.528.3-166.8-56.8-171.1174.6119.4-1.8113.8F200F200-R204 WeakPolarHBondContact O-CA 3.19Å; F200-R204 PolarHBondContact O-N 3.36Å
205Q86.1Confident89.7Confident82 Ų8289.7 Ų89.738%0.38343%0.428SS..SBendtrans-129.7141.5175.2-66.2179.5-29.200109.1F200 T203 V211F200-Q205 WeakPolarHBondContact CD2-O 3.37Å; T203-Q205 HydrophobicContact CG2-CB 3.87Å; T203-Q205 HydrophobicContact CG2-CG 4.03Å; T203-Q205 PolarHBondContact O-N 2.85Å; Q205-V211 HydrophobicContact CB-CG1 4.33Å; Q205-V211 VanDerWaalsContact OE1-CG1 3.27Å
206P85Confident89.5Confident65 Ų6585.5 Ų85.542%0.42241%0.405SS..  trans-58.6150.2175.427.3-34.5000110.2E208P206-E208 HydrophobicContact CB-CG 4.22Å; P206-E208 HydrophobicContact CG-CG 4.08Å; P206-E208 WeakPolarHBondContact CG-OE1 3.32Å; P206-E208 PolarHBondContact O-N 2.83Å
207Y83.7Confident89.7Confident114 Ų11484.3 Ų84.345%0.44740%0.397SS..  trans-73.981174.2-171.3-92.1000109.3Y199 Y209 V212Y199-Y207 AromaticContact CD1-CD2 3.76Å; Y199-Y207 HydrophobicContact CD1-CD2 3.76Å; Y199-Y207 HydrophobicContact CD1-CG 4.49Å; Y199-Y207 HydrophobicContact CD2-CD2 4.49Å; Y199-Y207 HydrophobicContact CE1-CD2 4.25Å; Y199-Y207 AromaticContact CG-CD2 3.9Å; Y199-Y207 HydrophobicContact CG-CD2 3.9Å; Y207-Y209 HydrophobicContact CE1-CD1 4.34Å; Y207-Y209 AromaticContact CE1-CE1 3.9Å; Y207-Y209 HydrophobicContact CE1-CE1 3.9Å; Y207-V212 HydrophobicContact CD2-CG2 3.86Å; Y207-V212 HydrophobicContact CE2-CG2 3.86Å; Y207-V212 HydrophobicContact CG-CG2 4.45Å
208E88.2Confident89.7Confident98 Ų9880.3 Ų80.346%0.45839%0.392SS..  trans-106.6127.1174-70.8178.6-163.400109.2P206 P210 V211 V212P206-E208 HydrophobicContact CB-CG 4.22Å; P206-E208 HydrophobicContact CG-CG 4.08Å; P206-E208 WeakPolarHBondContact CG-OE1 3.32Å; P206-E208 PolarHBondContact O-N 2.83Å; E208-P210 VanDerWaalsContact C-CD 3.47Å; E208-P210 HydrophobicContact CB-CG 4.37Å; E208-V211 HydrophobicContact CB-CB 4.14Å; E208-V211 HydrophobicContact CB-CG2 3.87Å; E208-V211 PolarHBondContact O-N 3.32Å; E208-V211 VanDerWaalsContact O-N 3.07Å; E208-V212 WeakPolarHBondContact O-CG2 3.21Å; E208-V212 PolarHBondContact O-N 2.9Å
209Y85.9Confident89.5Confident167 Ų16781.9 Ų81.966%0.65540%0.396SS*.Hα-helixtrans-49.6-44.3179.3-63.8-65.7000115Y207 K213Y207-Y209 HydrophobicContact CE1-CD1 4.34Å; Y207-Y209 AromaticContact CE1-CE1 3.9Å; Y207-Y209 HydrophobicContact CE1-CE1 3.9Å; Y209-K213 WeakPolarHBondContact O-CB 3.5Å; Y209-K213 PolarHBondContact O-N 3.37Å
210P89.6Confident89.5Confident79 Ų7982.5 Ų82.551%0.51340%0.399SS..Hα-helixtrans-64.2-44176.323.8-33.6000112.3E208 V212 K213 D214E208-P210 VanDerWaalsContact C-CD 3.47Å; E208-P210 HydrophobicContact CB-CG 4.37Å; P210-V212 PolarHBondContact O-N 3.16Å; P210-K213 WeakPolarHBondContact O-CB 3.41Å; P210-K213 PolarHBondContact O-N 3.35Å; P210-D214 VanDerWaalsContact O-CG 3.26Å; P210-D214 PolarHBondContact O-N 3.42Å
211V89.6Confident89.6Confident37 Ų3780.6 Ų80.622%0.22439%0.392CS..Hα-helixtrans-64.1-42.9179.8-179.30000111.3Q205 E208 D214 R215Q205-V211 HydrophobicContact CB-CG1 4.33Å; Q205-V211 VanDerWaalsContact OE1-CG1 3.27Å; E208-V211 HydrophobicContact CB-CB 4.14Å; E208-V211 HydrophobicContact CB-CG2 3.87Å; E208-V211 PolarHBondContact O-N 3.32Å; E208-V211 VanDerWaalsContact O-N 3.07Å; V211-D214 PolarHBondContact O-N 2.92Å; V211-R215 WeakPolarHBondContact O-CB 3.46Å; V211-R215 PolarHBondContact O-N 2.69Å
212V87.9Confident89.5Confident13 Ų1381.9 Ų81.98%0.07940%0.395CS..Hα-helixtrans-63.2-45.4176.5173.70000110.5Y199 Y207 E208 P210 R215 I216Y199-V212 HydrophobicContact CE1-CG2 3.99Å; Y199-V212 HydrophobicContact CE2-CG2 4.48Å; Y207-V212 HydrophobicContact CD2-CG2 3.86Å; Y207-V212 HydrophobicContact CE2-CG2 3.86Å; Y207-V212 HydrophobicContact CG-CG2 4.45Å; E208-V212 WeakPolarHBondContact O-CG2 3.21Å; E208-V212 PolarHBondContact O-N 2.9Å; P210-V212 PolarHBondContact O-N 3.16Å; V212-R215 PolarHBondContact O-N 2.96Å; V212-I216 HydrophobicContact CG1-CD1 3.67Å; V212-I216 HydrophobicContact CG1-CG1 4.37Å; V212-I216 WeakPolarHBondContact O-CB 3.3Å; V212-I216 WeakPolarHBondContact O-CG1 3.35Å; V212-I216 PolarHBondContact O-N 3.42Å
213K90Very high89.4Confident79 Ų7982.9 Ų82.934%0.34339%0.39SS..Hα-helixtrans-57.1-51.3175.8174.2-170.7165.3-162.50110.9T150 L154 Y209 P210 R215 I216 T217T150-K213 HydrophobicContact CG2-CG 3.91Å; L154-K213 HydrophobicContact CD1-CB 4.31Å; L154-K213 HydrophobicContact CD1-CD 4.27Å; L154-K213 HydrophobicContact CD1-CG 4.03Å; Y209-K213 WeakPolarHBondContact O-CB 3.5Å; Y209-K213 PolarHBondContact O-N 3.37Å; P210-K213 WeakPolarHBondContact O-CB 3.41Å; P210-K213 PolarHBondContact O-N 3.35Å; K213-R215 VanDerWaalsContact C-N 3.27Å; K213-R215 PolarHBondContact O-N 2.96Å; K213-I216 PolarHBondContact O-N 2.92Å; K213-I216 VanDerWaalsContact O-N 3.16Å; K213-T217 WeakPolarHBondContact O-CG2 3.43Å; K213-T217 PolarHBondContact O-N 2.87Å; K213-T217 PolarHBondContact O-OG1 3.35Å
214D90.6Very high89.5Confident95 Ų9583 Ų8351%0.50839%0.393SS..Hα-helixtrans-64.5-34.1-177.2-67.4-14.6000112P210 V211 T217 A218P210-D214 VanDerWaalsContact O-CG 3.26Å; P210-D214 PolarHBondContact O-N 3.42Å; V211-D214 PolarHBondContact O-N 2.92Å; D214-T217 WeakPolarHBondContact CA-OG1 3.2Å; D214-T217 PolarHBondContact O-OG1 3.25Å; D214-A218 WeakPolarHBondContact O-CB 3.49Å; D214-A218 PolarHBondContact O-N 2.93Å
215R90.6Very high89.5Confident99 Ų9974 Ų7437%0.37436%0.362SS..Hα-helixtrans-69.3-41.1174.2-171.4174.3-174.2-155.39.8112.5Y199 T203 V211 V212 K213 A218 T219Y199-R215 PolarHBondContact OH-NH1 2.93Å; T203-R215 VanDerWaalsContact CB-NH1 3.34Å; T203-R215 PolarHBondContact OG1-NH1 3.29Å; V211-R215 WeakPolarHBondContact O-CB 3.46Å; V211-R215 PolarHBondContact O-N 2.69Å; V212-R215 PolarHBondContact O-N 2.96Å; K213-R215 VanDerWaalsContact C-N 3.27Å; K213-R215 PolarHBondContact O-N 2.96Å; R215-A218 PolarHBondContact O-N 3.41Å; R215-T219 WeakPolarHBondContact O-CB 3.17Å; R215-T219 PolarHBondContact O-N 3.3Å; R215-T219 PolarHBondContact O-OG1 2.77Å
216I90.6Very high89.6Confident42 Ų4274.8 Ų74.822%0.21537%0.373CS..Hα-helixtrans-65.2-45.2177.4-67.7168.4000109.7T150 V212 K213 T219 Y220T150-I216 HydrophobicContact CG2-CB 4.01Å; T150-I216 HydrophobicContact CG2-CG2 3.77Å; T150-I216 WeakPolarHBondContact OG1-CG2 3.34Å; V212-I216 HydrophobicContact CG1-CD1 3.67Å; V212-I216 HydrophobicContact CG1-CG1 4.37Å; V212-I216 WeakPolarHBondContact O-CB 3.3Å; V212-I216 WeakPolarHBondContact O-CG1 3.35Å; V212-I216 PolarHBondContact O-N 3.42Å; K213-I216 PolarHBondContact O-N 2.92Å; K213-I216 VanDerWaalsContact O-N 3.16Å; I216-T219 PolarHBondContact O-N 2.97Å; I216-Y220 HydrophobicContact CG2-CD2 3.53Å; I216-Y220 HydrophobicContact CG2-CE2 3.18Å; I216-Y220 WeakPolarHBondContact O-CD2 3.19Å; I216-Y220 PolarHBondContact O-N 3.27Å
217T92.1Very high89.7Confident21 Ų2176.4 Ų76.413%0.12939%0.385CS..Hα-helixtrans-60.9-46.3175.356.50000111.2D147 T150 K213 D214 T219 Y220 L221D147-T217 WeakPolarHBondContact OD1-CG2 3.31Å; T150-T217 HydrophobicContact CG2-CG2 3.79Å; T150-T217 WeakPolarHBondContact OG1-CA 3.34Å; T150-T217 WeakPolarHBondContact OG1-CG2 3.45Å; T150-T217 PolarHBondContact OG1-N 3.3Å; K213-T217 WeakPolarHBondContact O-CG2 3.43Å; K213-T217 PolarHBondContact O-N 2.87Å; K213-T217 PolarHBondContact O-OG1 3.35Å; D214-T217 WeakPolarHBondContact CA-OG1 3.2Å; D214-T217 PolarHBondContact O-OG1 3.25Å; T217-T219 VanDerWaalsContact C-N 3.32Å; T217-T219 PolarHBondContact O-N 2.97Å; T217-Y220 PolarHBondContact O-N 3.46Å; T217-L221 VanDerWaalsContact O-CB 3.29Å; T217-L221 WeakPolarHBondContact O-CB 3.42Å; T217-L221 PolarHBondContact O-N 3.07Å
218A92.8Very high89.3Confident52 Ų5272.9 Ų72.943%0.4338%0.378SS..Hα-helixtrans-60.9-40.2177.200000112.4D214 R215 L221 H222D214-A218 WeakPolarHBondContact O-CB 3.49Å; D214-A218 PolarHBondContact O-N 2.93Å; R215-A218 PolarHBondContact O-N 3.41Å; A218-L221 PolarHBondContact O-N 3.46Å; A218-H222 WeakPolarHBondContact O-CB 3.14Å; A218-H222 PolarHBondContact O-N 2.85Å
219T91.5Very high88.9Confident57 Ų5780.6 Ų80.635%0.3540%0.403SS..Hα-helixtrans-66.9-44.1177.4-56.60000111.4R215 I216 T217 R223R215-T219 WeakPolarHBondContact O-CB 3.17Å; R215-T219 PolarHBondContact O-N 3.3Å; R215-T219 PolarHBondContact O-OG1 2.77Å; I216-T219 PolarHBondContact O-N 2.97Å; T217-T219 VanDerWaalsContact C-N 3.32Å; T217-T219 PolarHBondContact O-N 2.97Å; T219-R223 WeakPolarHBondContact O-CB 3.32Å; T219-R223 VanDerWaalsContact O-CG 3.32Å; T219-R223 WeakPolarHBondContact O-CG 3.37Å; T219-R223 PolarHBondContact O-N 3.49Å
220Y91.7Very high88.9Confident58 Ų5874 Ų7423%0.22738%0.378CS..Hα-helixtrans-66-38.2175.5-75.1-52.7000112.2R149 T153 I216 T217 R223 A224R149-Y220 HydrophobicContact CB-CD2 4.18Å; R149-Y220 HydrophobicContact CB-CE2 4.22Å; R149-Y220 HydrophobicContact CB-CG 4.46Å; T153-Y220 PolarHBondContact OG1-OH 2.87Å; I216-Y220 HydrophobicContact CG2-CD2 3.53Å; I216-Y220 HydrophobicContact CG2-CE2 3.18Å; I216-Y220 WeakPolarHBondContact O-CD2 3.19Å; I216-Y220 PolarHBondContact O-N 3.27Å; T217-Y220 PolarHBondContact O-N 3.46Å; Y220-R223 PolarHBondContact O-N 3.38Å; Y220-A224 VanDerWaalsContact O-CB 3.3Å; Y220-A224 WeakPolarHBondContact O-CB 3.47Å; Y220-A224 PolarHBondContact O-N 3.45Å
221L92.4Very high88.7Confident50 Ų5074 Ų7426%0.26237%0.373SS..Hα-helixtrans-64.6-48.5175.6-17963.8000110.8M142 V143 A146 T217 A218 R223 A224 V225M142-L221 HydrophobicContact CB-CD1 3.95Å; V143-L221 HydrophobicContact CG2-CD1 3.75Å; V143-L221 HydrophobicContact CG2-CD2 4.01Å; A146-L221 HydrophobicContact CB-CB 4.18Å; T217-L221 VanDerWaalsContact O-CB 3.29Å; T217-L221 WeakPolarHBondContact O-CB 3.42Å; T217-L221 PolarHBondContact O-N 3.07Å; A218-L221 PolarHBondContact O-N 3.46Å; L221-R223 VanDerWaalsContact C-N 3.33Å; L221-R223 PolarHBondContact O-N 3.45Å; L221-A224 WeakPolarHBondContact O-CB 3.48Å; L221-A224 PolarHBondContact O-N 2.86Å; L221-A224 VanDerWaalsContact O-N 3.12Å; L221-V225 HydrophobicContact CD1-CG2 4.12Å; L221-V225 HydrophobicContact CG-CG2 4.33Å; L221-V225 WeakPolarHBondContact O-CB 3.34Å; L221-V225 VanDerWaalsContact O-CG2 3.28Å; L221-V225 WeakPolarHBondContact O-CG2 3.47Å; L221-V225 PolarHBondContact O-N 2.93Å
222H91.6Very high88.6Confident130 Ų13075.5 Ų75.560%0.60238%0.382SS*.Hα-helixtrans-57.5-47.4176.5-178.4-79.6000110.9A218 A224 V225 T226A218-H222 WeakPolarHBondContact O-CB 3.14Å; A218-H222 PolarHBondContact O-N 2.85Å; H222-A224 VanDerWaalsContact C-N 3.34Å; H222-A224 PolarHBondContact O-N 3.09Å; H222-V225 PolarHBondContact O-N 3.4Å; H222-T226 PolarHBondContact CE1-OG1 3.34Å; H222-T226 PolarHBondContact O-N 2.86Å; H222-T226 PolarHBondContact O-OG1 3.18Å
223R90.8Very high88.7Confident163 Ų16376.9 Ų76.962%0.61540%0.399SS*.Hα-helixtrans-60.8-41.4175.5-73.6177.7-177.4173.92112.3T219 Y220 L221 S227T219-R223 WeakPolarHBondContact O-CB 3.32Å; T219-R223 VanDerWaalsContact O-CG 3.32Å; T219-R223 WeakPolarHBondContact O-CG 3.37Å; T219-R223 PolarHBondContact O-N 3.49Å; Y220-R223 PolarHBondContact O-N 3.38Å; L221-R223 VanDerWaalsContact C-N 3.33Å; L221-R223 PolarHBondContact O-N 3.45Å; R223-S227 VanDerWaalsContact O-CB 3.31Å; R223-S227 WeakPolarHBondContact O-CB 3.46Å; R223-S227 PolarHBondContact O-N 3.16Å; R223-S227 PolarHBondContact O-OG 3.48Å
224A89.7Confident88.7Confident22 Ų2278.5 Ų78.518%0.18241%0.408CS..Hα-helixtrans-61.6-49.5176.500000110.8Y220 L221 H222 T226 S227 S228Y220-A224 VanDerWaalsContact O-CB 3.3Å; Y220-A224 WeakPolarHBondContact O-CB 3.47Å; Y220-A224 PolarHBondContact O-N 3.45Å; L221-A224 WeakPolarHBondContact O-CB 3.48Å; L221-A224 PolarHBondContact O-N 2.86Å; L221-A224 VanDerWaalsContact O-N 3.12Å; H222-A224 VanDerWaalsContact C-N 3.34Å; H222-A224 PolarHBondContact O-N 3.09Å; A224-T226 PolarHBondContact O-N 2.76Å; A224-S227 PolarHBondContact O-N 3.11Å; A224-S227 VanDerWaalsContact O-N 3.1Å; A224-S227 PolarHBondContact O-OG 3.43Å; A224-S228 PolarHBondContact O-N 3.32Å; A224-S228 PolarHBondContact O-OG 3.44Å
225V89.2Confident88.7Confident30 Ų3075.9 Ų75.918%0.18239%0.391CS..Hα-helixtrans-63.9-36.8179.2172.20000112.5M142 L221 H222 S227 S228 F230 V232M142-V225 HydrophobicContact CE-CG2 4Å; M142-V225 HydrophobicContact SD-CG2 3.91Å; L221-V225 HydrophobicContact CD1-CG2 4.12Å; L221-V225 HydrophobicContact CG-CG2 4.33Å; L221-V225 WeakPolarHBondContact O-CB 3.34Å; L221-V225 VanDerWaalsContact O-CG2 3.28Å; L221-V225 WeakPolarHBondContact O-CG2 3.47Å; L221-V225 PolarHBondContact O-N 2.93Å; H222-V225 PolarHBondContact O-N 3.4Å; V225-S227 VanDerWaalsContact C-N 3.34Å; V225-S228 WeakPolarHBondContact CA-OG 3.22Å; V225-S228 PolarHBondContact O-OG 3.17Å; V225-F230 HydrophobicContact CG1-CD1 4.35Å; V225-V232 HydrophobicContact CG1-CG2 3.25Å
226T88.2Confident88.8Confident99 Ų9975.7 Ų75.761%0.60740%0.395SS*.Hα-helixtrans-71.1-31.3173.9-500000111.8H222 A224H222-T226 PolarHBondContact CE1-OG1 3.34Å; H222-T226 PolarHBondContact O-N 2.86Å; H222-T226 PolarHBondContact O-OG1 3.18Å; A224-T226 PolarHBondContact O-N 2.76Å
227S86.5Confident89Confident99 Ų9976.2 Ų76.269%0.69241%0.405SS*.Hα-helixtrans-80.4-38.5-178.771.20000113.6R223 A224 V225R223-S227 VanDerWaalsContact O-CB 3.31Å; R223-S227 WeakPolarHBondContact O-CB 3.46Å; R223-S227 PolarHBondContact O-N 3.16Å; R223-S227 PolarHBondContact O-OG 3.48Å; A224-S227 PolarHBondContact O-N 3.11Å; A224-S227 VanDerWaalsContact O-N 3.1Å; A224-S227 PolarHBondContact O-OG 3.43Å; V225-S227 VanDerWaalsContact C-N 3.34Å
228S76.5Confident89Confident41 Ų4176.8 Ų76.829%0.28741%0.407SS..THydrogen-bonded Turntrans-72.9131.8164.555.80000107M142 A224 V225 F230M142-S228 PolarHBondContact SD-OG 3.03Å; M142-S228 VanDerWaalsContact SD-OG 3.39Å; A224-S228 PolarHBondContact O-N 3.32Å; A224-S228 PolarHBondContact O-OG 3.44Å; V225-S228 WeakPolarHBondContact CA-OG 3.22Å; V225-S228 PolarHBondContact O-OG 3.17Å; S228-F230 PolarHBondContact O-N 3.4Å
229R78.8Confident89.1Confident260 Ų26079.8 Ų79.898%0.98141%0.411SS*.THydrogen-bonded Turntrans-69.947.4174.5-64-179176.2-179.7-1.6112.2
230F85.2Confident89.3Confident29 Ų2982.6 Ų82.613%0.12742%0.418CS..  trans-80.3120.6-176-176.1-95.5000108.9L135 Q138 V139 M142 V225 S228 V232 Y235L135-F230 HydrophobicContact CB-CE2 4.34Å; L135-F230 HydrophobicContact CB-CZ 4.38Å; L135-F230 HydrophobicContact CG-CE2 4.08Å; L135-F230 HydrophobicContact CG-CZ 4.32Å; Q138-F230 HydrophobicContact CB-CE2 4.35Å; V139-F230 HydrophobicContact CG2-CE1 3.86Å; V139-F230 HydrophobicContact CG2-CE2 4.09Å; V139-F230 HydrophobicContact CG2-CZ 3.44Å; V139-F230 VanDerWaalsContact CG2-CZ 3.44Å; M142-F230 HydrophobicContact CE-CB 4.46Å; M142-F230 HydrophobicContact CE-CD1 4.35Å; M142-F230 HydrophobicContact CE-CD2 4.15Å; M142-F230 HydrophobicContact CE-CG 4.06Å; V225-F230 HydrophobicContact CG1-CD1 4.35Å; S228-F230 PolarHBondContact O-N 3.4Å; F230-V232 HydrophobicContact CD1-CG2 4.01Å; F230-V232 PolarHBondContact O-N 2.87Å; F230-Y235 HydrophobicContact CE1-CD1 4.37Å; F230-Y235 HydrophobicContact CE1-CG 4.08Å; F230-Y235 HydrophobicContact CZ-CD2 4.21Å; F230-Y235 AromaticContact CZ-CG 3.91Å; F230-Y235 HydrophobicContact CZ-CG 3.91Å
231D86.3Confident89.5Confident79 Ų7984.5 Ų84.542%0.42243%0.429SS..  trans-79.289.5179-165.9-23.7000110G233 Q234 Y235D231-G233 PolarHBondContact O-N 3.04Å; D231-G233 WeakPolarHBondContact OD1-CA 3.48Å; D231-G233 PolarHBondContact OD1-N 3.35Å; D231-Q234 HydrophobicContact CB-CB 4.05Å; D231-Q234 HydrophobicContact CB-CG 4.16Å; D231-Q234 PolarHBondContact O-N 3.49Å; D231-Q234 PolarHBondContact OD1-N 2.96Å; D231-Q234 VanDerWaalsContact OD2-CG 3.3Å; D231-Q234 WeakPolarHBondContact OD2-CG 3.38Å; D231-Q234 PolarHBondContact OD2-NE2 3.02Å; D231-Y235 PolarHBondContact O-N 3.43Å; D231-Y235 VanDerWaalsContact O-N 3.1Å
232V87.8Confident89.6Confident68 Ų6882.6 Ų82.641%0.41242%0.42SS..Hα-helixtrans-56.7-35.1176.1-176.60000111V225 F230 Y235 E236V225-V232 HydrophobicContact CG1-CG2 3.25Å; F230-V232 HydrophobicContact CD1-CG2 4.01Å; F230-V232 PolarHBondContact O-N 2.87Å; V232-Y235 PolarHBondContact O-N 2.81Å; V232-E236 WeakPolarHBondContact O-CB 3.47Å; V232-E236 PolarHBondContact O-N 2.93Å
233G89.6Confident89.8Confident42 Ų4279.2 Ų79.243%0.43341%0.409SS..Hα-helixtrans-66-45.1-179.800000112D231 E236 A237D231-G233 PolarHBondContact O-N 3.04Å; D231-G233 WeakPolarHBondContact OD1-CA 3.48Å; D231-G233 PolarHBondContact OD1-N 3.35Å; G233-E236 PolarHBondContact O-N 3.33Å; G233-A237 VanDerWaalsContact O-CB 3.28Å; G233-A237 WeakPolarHBondContact O-CB 3.38Å; G233-A237 PolarHBondContact O-N 2.88Å
234Q89.7Confident90Very high113 Ų11376.2 Ų76.253%0.52840%0.404SS..Hα-helixtrans-62.3-44.8173.5-76.6-177.150.900111.8D231 E236 A237 L238D231-Q234 HydrophobicContact CB-CB 4.05Å; D231-Q234 HydrophobicContact CB-CG 4.16Å; D231-Q234 PolarHBondContact O-N 3.49Å; D231-Q234 PolarHBondContact OD1-N 2.96Å; D231-Q234 VanDerWaalsContact OD2-CG 3.3Å; D231-Q234 WeakPolarHBondContact OD2-CG 3.38Å; D231-Q234 PolarHBondContact OD2-NE2 3.02Å; Q234-E236 PolarHBondContact O-N 3.35Å; Q234-A237 PolarHBondContact O-N 3.2Å; Q234-L238 WeakPolarHBondContact O-CD1 3.42Å; Q234-L238 PolarHBondContact O-N 3.45Å
235Y91.2Very high90.3Very high40 Ų4076 Ų7616%0.15740%0.399CS..Hα-helixtrans-59.4-47.9178.1175.9-112.4000112.3L132 L135 N136 V139 F230 D231 V232 A237 L238 K239L132-Y235 HydrophobicContact CD2-CD2 4.03Å; L132-Y235 HydrophobicContact CD2-CE2 4.01Å; L135-Y235 HydrophobicContact CB-CD2 3.89Å; L135-Y235 HydrophobicContact CB-CE2 4.38Å; L135-Y235 HydrophobicContact CD2-CD2 4.09Å; N136-Y235 WeakPolarHBondContact OD1-CE2 3.42Å; N136-Y235 PolarHBondContact OD1-OH 3.49Å; N136-Y235 VanDerWaalsContact OD1-OH 3.04Å; V139-Y235 HydrophobicContact CG2-CE1 4.36Å; V139-Y235 HydrophobicContact CG2-CE2 4.49Å; F230-Y235 HydrophobicContact CE1-CD1 4.37Å; F230-Y235 HydrophobicContact CE1-CG 4.08Å; F230-Y235 HydrophobicContact CZ-CD2 4.21Å; F230-Y235 AromaticContact CZ-CG 3.91Å; F230-Y235 HydrophobicContact CZ-CG 3.91Å; D231-Y235 PolarHBondContact O-N 3.43Å; D231-Y235 VanDerWaalsContact O-N 3.1Å; V232-Y235 PolarHBondContact O-N 2.81Å; Y235-A237 PolarHBondContact O-N 3.44Å; Y235-L238 PolarHBondContact O-N 3.41Å; Y235-K239 WeakPolarHBondContact O-CB 3.3Å; Y235-K239 PolarHBondContact O-N 3.11Å
236E92.4Very high90.6Very high95 Ų9579.4 Ų79.444%0.44441%0.413SS..Hα-helixtrans-65-40.1179.1-167.5-174.5160.700111.7V232 G233 Q234 K239 K240V232-E236 WeakPolarHBondContact O-CB 3.47Å; V232-E236 PolarHBondContact O-N 2.93Å; G233-E236 PolarHBondContact O-N 3.33Å; Q234-E236 PolarHBondContact O-N 3.35Å; E236-K239 PolarHBondContact O-N 3.28Å; E236-K240 HydrophobicContact CG-CD 4.41Å; E236-K240 WeakPolarHBondContact O-CB 3.4Å; E236-K240 WeakPolarHBondContact O-CG 3.27Å; E236-K240 PolarHBondContact O-N 3.43Å; E236-K240 WeakPolarHBondContact OE1-CE 3.32Å; E236-K240 IonicContact OE1-NZ 2.93Å; E236-K240 PolarHBondContact OE1-NZ 3.47Å
237A94.4Very high91Very high53 Ų5380.6 Ų80.644%0.43841%0.412SS..Hα-helixtrans-63.6-45.1176.400000112.1G233 Q234 Y235 K239 K240 Q241G233-A237 VanDerWaalsContact O-CB 3.28Å; G233-A237 WeakPolarHBondContact O-CB 3.38Å; G233-A237 PolarHBondContact O-N 2.88Å; Q234-A237 PolarHBondContact O-N 3.2Å; Y235-A237 PolarHBondContact O-N 3.44Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K240 PolarHBondContact O-N 3.34Å; A237-Q241 WeakPolarHBondContact O-CB 3.37Å; A237-Q241 PolarHBondContact O-N 2.84Å
238L93.7Very high91.4Very high33 Ų3380.8 Ų80.817%0.17340%0.402CS..Hα-helixtrans-63.4-41.3175.8-9375.2000111.3R131 L132 Q234 Y235 Q241 A242R131-L238 HydrophobicContact CB-CD2 3.68Å; L132-L238 HydrophobicContact CD1-CB 4.49Å; L132-L238 HydrophobicContact CD2-CB 3.6Å; L132-L238 HydrophobicContact CD2-CD2 4.31Å; L132-L238 HydrophobicContact CG-CB 3.94Å; L132-L238 HydrophobicContact CG-CD2 4.22Å; Q234-L238 WeakPolarHBondContact O-CD1 3.42Å; Q234-L238 PolarHBondContact O-N 3.45Å; Y235-L238 PolarHBondContact O-N 3.41Å; L238-Q241 PolarHBondContact O-N 3Å; L238-A242 WeakPolarHBondContact O-CB 3.16Å; L238-A242 PolarHBondContact O-N 2.87Å
239K94Very high92.2Very high115 Ų11579.7 Ų79.750%0.539%0.393SS..Hα-helixtrans-62.8-45.7177.1-171.1174.3-177.6175.20111.2Y235 E236 A237 Q241 A242 T243Y235-K239 WeakPolarHBondContact O-CB 3.3Å; Y235-K239 PolarHBondContact O-N 3.11Å; E236-K239 PolarHBondContact O-N 3.28Å; A237-K239 VanDerWaalsContact C-N 3.34Å; K239-Q241 PolarHBondContact O-N 3.45Å; K239-A242 PolarHBondContact O-N 2.68Å; K239-T243 PolarHBondContact O-N 2.8Å; K239-T243 PolarHBondContact O-OG1 3.11Å; K239-T243 VanDerWaalsContact O-OG1 3.1Å
240K95.9Very high93Very high116 Ų11674.7 Ų74.750%0.50438%0.375SS..Hα-helixtrans-59.4-45173.8-75.8174.7-1781680111.6E236 A237 A242 T243 I244E236-K240 HydrophobicContact CG-CD 4.41Å; E236-K240 WeakPolarHBondContact O-CB 3.4Å; E236-K240 WeakPolarHBondContact O-CG 3.27Å; E236-K240 PolarHBondContact O-N 3.43Å; E236-K240 WeakPolarHBondContact OE1-CE 3.32Å; E236-K240 IonicContact OE1-NZ 2.93Å; E236-K240 PolarHBondContact OE1-NZ 3.47Å; A237-K240 PolarHBondContact O-N 3.34Å; K240-A242 VanDerWaalsContact C-N 3.34Å; K240-A242 PolarHBondContact O-N 2.84Å; K240-T243 PolarHBondContact O-N 2.83Å; K240-I244 VanDerWaalsContact O-CG1 3.27Å; K240-I244 WeakPolarHBondContact O-CG1 3.39Å; K240-I244 PolarHBondContact O-N 3.26Å
241Q94.9Very high93.4Very high98 Ų9881.6 Ų81.646%0.45840%0.4SS..Hα-helixtrans-62.2-41.4178-172.7178.37.600111.9V128 A237 L238 K239 I244 L245V128-Q241 HydrophobicContact CG2-CG 4.35Å; A237-Q241 WeakPolarHBondContact O-CB 3.37Å; A237-Q241 PolarHBondContact O-N 2.84Å; L238-Q241 PolarHBondContact O-N 3Å; K239-Q241 PolarHBondContact O-N 3.45Å; Q241-I244 PolarHBondContact O-N 3.1Å; Q241-L245 HydrophobicContact CG-CD1 4.23Å; Q241-L245 WeakPolarHBondContact O-CB 3.21Å; Q241-L245 WeakPolarHBondContact O-CG 3.46Å; Q241-L245 PolarHBondContact O-N 3.38Å
242A94.9Very high93.7Very high10 Ų1079 Ų798%0.08339%0.386CS..Hα-helixtrans-60.5-49174.600000111.2V128 L132 L238 K239 K240 I244 L245 E246V128-A242 HydrophobicContact CG1-CB 3.96Å; L132-A242 HydrophobicContact CD1-CB 3.75Å; L238-A242 WeakPolarHBondContact O-CB 3.16Å; L238-A242 PolarHBondContact O-N 2.87Å; K239-A242 PolarHBondContact O-N 2.68Å; K240-A242 VanDerWaalsContact C-N 3.34Å; K240-A242 PolarHBondContact O-N 2.84Å; A242-I244 VanDerWaalsContact C-N 3.35Å; A242-I244 PolarHBondContact O-N 2.9Å; A242-L245 PolarHBondContact O-N 2.89Å; A242-E246 WeakPolarHBondContact O-CG 3.28Å; A242-E246 PolarHBondContact O-N 3.34Å
243T95.6Very high93.9Very high59 Ų5981.3 Ų81.336%0.36239%0.388SS..Hα-helixtrans-60.7-40.7178.2-54.60000112.7K239 K240 E246 Q247K239-T243 PolarHBondContact O-N 2.8Å; K239-T243 PolarHBondContact O-OG1 3.11Å; K239-T243 VanDerWaalsContact O-OG1 3.1Å; K240-T243 PolarHBondContact O-N 2.83Å; T243-E246 PolarHBondContact O-N 2.95Å; T243-Q247 WeakPolarHBondContact O-CB 3.34Å; T243-Q247 VanDerWaalsContact O-CG 3.27Å; T243-Q247 WeakPolarHBondContact O-CG 3.18Å; T243-Q247 PolarHBondContact O-N 2.94Å
244I96.6Very high94Very high100 Ų10083.5 Ų83.551%0.51339%0.387SS..Hα-helixtrans-64.2-44.8176.6-67.7163.7000110.7K240 Q241 A242 Q247 E248K240-I244 VanDerWaalsContact O-CG1 3.27Å; K240-I244 WeakPolarHBondContact O-CG1 3.39Å; K240-I244 PolarHBondContact O-N 3.26Å; Q241-I244 PolarHBondContact O-N 3.1Å; A242-I244 VanDerWaalsContact C-N 3.35Å; A242-I244 PolarHBondContact O-N 2.9Å; I244-Q247 PolarHBondContact O-N 3.04Å; I244-E248 WeakPolarHBondContact O-CB 3.27Å; I244-E248 PolarHBondContact O-N 3.45Å
245L95.2Very high94Very high16 Ų1682.4 Ų82.48%0.08438%0.384CS..Hα-helixtrans-65.1-38.4177.8-72.7172.3000112.1K124 L125 V128 Q241 A242 E248 L249K124-L245 HydrophobicContact CB-CD1 4.11Å; K124-L245 HydrophobicContact CB-CD2 4.4Å; L125-L245 HydrophobicContact CB-CB 4.45Å; L125-L245 HydrophobicContact CD1-CB 4.06Å; V128-L245 HydrophobicContact CG2-CD1 4.01Å; Q241-L245 HydrophobicContact CG-CD1 4.23Å; Q241-L245 WeakPolarHBondContact O-CB 3.21Å; Q241-L245 WeakPolarHBondContact O-CG 3.46Å; Q241-L245 PolarHBondContact O-N 3.38Å; A242-L245 PolarHBondContact O-N 2.89Å; L245-E248 PolarHBondContact O-N 3.45Å; L245-L249 VanDerWaalsContact O-CB 3.23Å; L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 3.46Å
246E95.6Very high93.9Very high102 Ų10284.5 Ų84.548%0.47739%0.394SS..Hα-helixtrans-61.1-46173.7-75.4172.7176.700111.3L125 A242 T243 L249 Y250L125-E246 HydrophobicContact CD1-CB 4.26Å; L125-E246 HydrophobicContact CD1-CG 3.38Å; A242-E246 WeakPolarHBondContact O-CG 3.28Å; A242-E246 PolarHBondContact O-N 3.34Å; T243-E246 PolarHBondContact O-N 2.95Å; E246-L249 PolarHBondContact O-N 3Å; E246-Y250 WeakPolarHBondContact O-CB 3.05Å; E246-Y250 PolarHBondContact O-N 3.3Å
247Q96.3Very high93.7Very high125 Ų12585.5 Ų85.558%0.58440%0.399SS*.Hα-helixtrans-64.2-42.5177.6-74.6175.8-8.300112.4T243 I244 Y250 R251T243-Q247 WeakPolarHBondContact O-CB 3.34Å; T243-Q247 VanDerWaalsContact O-CG 3.27Å; T243-Q247 WeakPolarHBondContact O-CG 3.18Å; T243-Q247 PolarHBondContact O-N 2.94Å; I244-Q247 PolarHBondContact O-N 3.04Å; Q247-Y250 PolarHBondContact O-N 3.39Å; Q247-R251 WeakPolarHBondContact O-CB 3.45Å; Q247-R251 PolarHBondContact O-N 3.46Å
248E94.7Very high93.4Very high103 Ų10386.3 Ų86.348%0.48140%0.395SS..Hα-helixtrans-65.6-42178.7-163.5177.8172.200111.4L121 I244 L245 R251 L252L121-E248 HydrophobicContact CD2-CB 3.88Å; L121-E248 HydrophobicContact CD2-CG 3.66Å; I244-E248 WeakPolarHBondContact O-CB 3.27Å; I244-E248 PolarHBondContact O-N 3.45Å; L245-E248 PolarHBondContact O-N 3.45Å; E248-R251 PolarHBondContact O-N 3.25Å; E248-L252 WeakPolarHBondContact O-CB 3.09Å; E248-L252 PolarHBondContact O-N 2.93Å
249L94.5Very high92.9Very high17 Ų1789 Ų899%0.08941%0.41CS..Hα-helixtrans-64.9-43.3175.9-173.8163.8000111.4L121 A122 L245 E246 L252 R253L121-L249 HydrophobicContact CD2-CB 4.41Å; A122-L249 HydrophobicContact CB-CD1 4.22Å; L245-L249 VanDerWaalsContact O-CB 3.23Å; L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 3.46Å; E246-L249 PolarHBondContact O-N 3Å; L249-L252 PolarHBondContact O-N 3.49Å; L249-R253 HydrophobicContact CD2-CG 4.25Å; L249-R253 WeakPolarHBondContact O-CG 3.4Å; L249-R253 PolarHBondContact O-N 3.41Å
250Y93.9Very high92.4Very high156 Ų15686.3 Ų86.361%0.61241%0.406SS*.Hα-helixtrans-59.3-47.5174.2178.6-95.4000111.6E246 Q247 L252 R253 Q254E246-Y250 WeakPolarHBondContact O-CB 3.05Å; E246-Y250 PolarHBondContact O-N 3.3Å; Q247-Y250 PolarHBondContact O-N 3.39Å; Y250-L252 VanDerWaalsContact C-N 3.33Å; Y250-L252 PolarHBondContact O-N 2.89Å; Y250-R253 PolarHBondContact O-N 2.97Å; Y250-Q254 WeakPolarHBondContact O-CB 3.47Å; Y250-Q254 PolarHBondContact O-N 2.69Å
251R94.4Very high91.7Very high174 Ų17486.6 Ų86.666%0.65741%0.409SS*.Hα-helixtrans-61.1-41.8178.1-173.6179.5-177170.31.9112Q247 E248 Q254 L255Q247-R251 WeakPolarHBondContact O-CB 3.45Å; Q247-R251 PolarHBondContact O-N 3.46Å; E248-R251 PolarHBondContact O-N 3.25Å; R251-Q254 PolarHBondContact O-N 3.49Å; R251-L255 HydrophobicContact CG-CD1 4.49Å; R251-L255 WeakPolarHBondContact O-CG 3.5Å; R251-L255 PolarHBondContact O-N 3.41Å
252L92.1Very high90.8Very high24 Ų2488.2 Ų88.213%0.12642%0.416CS..Hα-helixtrans-64.9-42.9179-163.5166.1000110.9I114 Q117 E118 L121 E248 L249 Y250 L255 K256I114-L252 HydrophobicContact CG2-CD2 3.48Å; I114-L252 VanDerWaalsContact CG2-CD2 3.48Å; I114-L252 HydrophobicContact CG2-CG 4.46Å; Q117-L252 HydrophobicContact CB-CD1 4.06Å; E118-L252 HydrophobicContact CB-CD2 4.22Å; L121-L252 HydrophobicContact CD2-CD1 4.44Å; E248-L252 WeakPolarHBondContact O-CB 3.09Å; E248-L252 PolarHBondContact O-N 2.93Å; L249-L252 PolarHBondContact O-N 3.49Å; Y250-L252 VanDerWaalsContact C-N 3.33Å; Y250-L252 PolarHBondContact O-N 2.89Å; L252-L255 PolarHBondContact O-N 3.35Å; L252-K256 PolarHBondContact O-N 2.86Å
253R92.1Very high89.6Confident116 Ų11691.7 Ų91.744%0.43844%0.444SS..Hα-helixtrans-62.7-44.1173.6-74.1-177.7178.1163.31.9112.5E118 L249 Y250 L255 K256 E257E118-R253 IonicContact OE1-CZ 3.64Å; E118-R253 IonicContact OE1-NE 2.69Å; E118-R253 PolarHBondContact OE1-NE 3.46Å; E118-R253 IonicContact OE1-NH2 2.62Å; E118-R253 PolarHBondContact OE1-NH2 3.01Å; E118-R253 VanDerWaalsContact OE1-NH2 3.12Å; L249-R253 HydrophobicContact CD2-CG 4.25Å; L249-R253 WeakPolarHBondContact O-CG 3.4Å; L249-R253 PolarHBondContact O-N 3.41Å; Y250-R253 PolarHBondContact O-N 2.97Å; R253-L255 VanDerWaalsContact C-N 3.33Å; R253-L255 PolarHBondContact O-N 2.62Å; R253-K256 WeakPolarHBondContact O-CB 3.45Å; R253-K256 PolarHBondContact O-N 3.46Å; R253-K256 VanDerWaalsContact O-N 3.11Å; R253-E257 WeakPolarHBondContact O-CG 3.29Å; R253-E257 PolarHBondContact O-N 2.96Å
254Q93.1Very high88.2Confident88 Ų8895.3 Ų95.341%0.41146%0.461SS..Hα-helixtrans-60.4-41.7176.4-170.2-179.610.900111.8Y250 R251 K256 E257 L258Y250-Q254 WeakPolarHBondContact O-CB 3.47Å; Y250-Q254 PolarHBondContact O-N 2.69Å; R251-Q254 PolarHBondContact O-N 3.49Å; Q254-K256 VanDerWaalsContact C-N 3.35Å; Q254-E257 PolarHBondContact O-N 3.39Å; Q254-L258 HydrophobicContact CG-CD1 4.42Å; Q254-L258 VanDerWaalsContact O-CG 3.32Å; Q254-L258 WeakPolarHBondContact O-CG 3.32Å; Q254-L258 PolarHBondContact O-N 2.94Å
255L89.3Confident86.1Confident91 Ų9195 Ų9548%0.47646%0.464SS..Hα-helixtrans-64.2-38.8174.3-71.8173.2000112.1R251 L252 R253 N259R251-L255 HydrophobicContact CG-CD1 4.49Å; R251-L255 WeakPolarHBondContact O-CG 3.5Å; R251-L255 PolarHBondContact O-N 3.41Å; L252-L255 PolarHBondContact O-N 3.35Å; R253-L255 VanDerWaalsContact C-N 3.33Å; R253-L255 PolarHBondContact O-N 2.62Å; L255-N259 WeakPolarHBondContact O-CB 3.47Å; L255-N259 PolarHBondContact O-N 3.23Å; L255-N259 PolarHBondContact O-ND2 3.31Å
256K88Confident83.4Confident83 Ų83103.7 Ų103.736%0.36152%0.522SS..Hα-helixtrans-63.2-44.5175.3-172179.2-176.1172.20111.2E115 L252 R253 Q254 N259 S260E115-K256 IonicContact OE1-NZ 3.99Å; E115-K256 PolarHBondContact OE1-NZ 3.44Å; E115-K256 VanDerWaalsContact OE1-NZ 3.12Å; L252-K256 PolarHBondContact O-N 2.86Å; R253-K256 WeakPolarHBondContact O-CB 3.45Å; R253-K256 PolarHBondContact O-N 3.46Å; R253-K256 VanDerWaalsContact O-N 3.11Å; Q254-K256 VanDerWaalsContact C-N 3.35Å; K256-N259 PolarHBondContact O-N 3.2Å; K256-S260 WeakPolarHBondContact O-CB 3.49Å; K256-S260 PolarHBondContact O-N 3.29Å
257E89Confident82.8Confident117 Ų117103.8 Ų103.855%0.54752%0.524SS..Hα-helixtrans-62-48.1176.6-73.3172.9-173.400111.5R253 Q254 N259 S260 Q261R253-E257 WeakPolarHBondContact O-CG 3.29Å; R253-E257 PolarHBondContact O-N 2.96Å; Q254-E257 PolarHBondContact O-N 3.39Å; E257-N259 VanDerWaalsContact C-N 3.34Å; E257-N259 PolarHBondContact O-N 3.49Å; E257-S260 PolarHBondContact O-N 2.99Å; E257-S260 VanDerWaalsContact O-N 3.14Å; E257-S260 PolarHBondContact O-OG 3.49Å; E257-Q261 WeakPolarHBondContact O-CG 3.12Å; E257-Q261 PolarHBondContact O-N 3.17Å
258L88.4Confident82.1Confident70 Ų70102.7 Ų102.737%0.36652%0.521SS..Hα-helixtrans-60.5-41.9176.9-71.5171.4000112.2Q254 S260 Q261 H262Q254-L258 HydrophobicContact CG-CD1 4.42Å; Q254-L258 VanDerWaalsContact O-CG 3.32Å; Q254-L258 WeakPolarHBondContact O-CG 3.32Å; Q254-L258 PolarHBondContact O-N 2.94Å; L258-S260 VanDerWaalsContact C-N 3.33Å; L258-S260 PolarHBondContact O-N 3.01Å; L258-Q261 PolarHBondContact O-N 3.37Å; L258-H262 PolarHBondContact O-N 3.47Å; L258-H262 PolarHBondContact O-ND1 2.84Å
259N83.4Confident81.4Confident89 Ų89102.7 Ų102.748%0.47652%0.523SS..Hα-helixtrans-66.1-36.6176.5-72-13.4000111.8L255 K256 E257 A263L255-N259 WeakPolarHBondContact O-CB 3.47Å; L255-N259 PolarHBondContact O-N 3.23Å; L255-N259 PolarHBondContact O-ND2 3.31Å; K256-N259 PolarHBondContact O-N 3.2Å; E257-N259 VanDerWaalsContact C-N 3.34Å; E257-N259 PolarHBondContact O-N 3.49Å; N259-A263 WeakPolarHBondContact O-CB 3.32Å; N259-A263 PolarHBondContact O-N 3.25Å; N259-A263 VanDerWaalsContact O-N 3.12Å
260S81.8Confident80.7Confident59 Ų59107.7 Ų107.741%0.41355%0.549SS..Hα-helixtrans-68.1-34.4175.276.40000112.7K256 E257 L258 A263 N264K256-S260 WeakPolarHBondContact O-CB 3.49Å; K256-S260 PolarHBondContact O-N 3.29Å; E257-S260 PolarHBondContact O-N 2.99Å; E257-S260 VanDerWaalsContact O-N 3.14Å; E257-S260 PolarHBondContact O-OG 3.49Å; L258-S260 VanDerWaalsContact C-N 3.33Å; L258-S260 PolarHBondContact O-N 3.01Å; S260-A263 PolarHBondContact O-N 3.29Å; S260-N264 PolarHBondContact O-N 3.09Å; S260-N264 PolarHBondContact O-ND2 3.06Å
261Q81.3Confident79.8Confident122 Ų122104.7 Ų104.757%0.5755%0.545SS*.Hα-helixtrans-67.2-46.9175.2-73.3176.7-800111.2E257 L258 A263 N264 T265E257-Q261 WeakPolarHBondContact O-CG 3.12Å; E257-Q261 PolarHBondContact O-N 3.17Å; L258-Q261 PolarHBondContact O-N 3.37Å; Q261-A263 VanDerWaalsContact C-N 3.27Å; Q261-A263 PolarHBondContact O-N 3.09Å; Q261-N264 PolarHBondContact O-N 3Å; Q261-N264 VanDerWaalsContact O-N 3.08Å; Q261-T265 PolarHBondContact O-N 2.95Å; Q261-T265 PolarHBondContact O-OG1 3.33Å
262H76.1Confident78.9Confident132 Ų132100.1 Ų100.161%0.61154%0.538SS*.Hα-helixtrans-61.7-33.7176.9-68.5120.5000113L258 N264 T265L258-H262 PolarHBondContact O-N 3.47Å; L258-H262 PolarHBondContact O-ND1 2.84Å; H262-N264 VanDerWaalsContact C-N 3.28Å; H262-N264 PolarHBondContact O-N 3.21Å; H262-T265 WeakPolarHBondContact CA-OG1 3.4Å; H262-T265 PolarHBondContact O-OG1 2.84Å
263A71.2Confident77.9Confident82 Ų82105.5 Ų105.568%0.67857%0.567SS**Hα-helixtrans-70.7-22.1176.500000113.6N259 S260 Q261N259-A263 WeakPolarHBondContact O-CB 3.32Å; N259-A263 PolarHBondContact O-N 3.25Å; N259-A263 VanDerWaalsContact O-N 3.12Å; S260-A263 PolarHBondContact O-N 3.29Å; Q261-A263 VanDerWaalsContact C-N 3.27Å; Q261-A263 PolarHBondContact O-N 3.09Å
264N64.9Low76.8Confident135 Ų135104.7 Ų104.772%0.72258%0.577SS**Hα-helixtrans-96.5-5-179.8-69.6-33.7000113.5S260 Q261 H262S260-N264 PolarHBondContact O-N 3.09Å; S260-N264 PolarHBondContact O-ND2 3.06Å; Q261-N264 PolarHBondContact O-N 3Å; Q261-N264 VanDerWaalsContact O-N 3.08Å; H262-N264 VanDerWaalsContact C-N 3.28Å; H262-N264 PolarHBondContact O-N 3.21Å
265T52.4Low75.5Confident94 Ų94106.1 Ų106.158%0.57759%0.591SS**  trans-84.7121.5171.218.60000110.3Q261 H262Q261-T265 PolarHBondContact O-N 2.95Å; Q261-T265 PolarHBondContact O-OG1 3.33Å; H262-T265 WeakPolarHBondContact CA-OG1 3.4Å; H262-T265 PolarHBondContact O-OG1 2.84Å
266P40.1Very low74.2Confident199 Ų199107.5 Ų107.5100%1.29260%0.601SS**  trans-69.70176.630.9-35.7000113.3

Retrieved 266 of 266 residues in 188 ms (Link to these results)

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