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COP9 signalosome subunit 7B

Component of the COP9 signalosome complex (CSN), a complex involved in various cellular and developmental processes. The CSN complex is an essential regulator of the ubiquitin (Ubl) conjugation pathway by mediating the deneddylation of the cullin subunits of SCF-type E3 ligase complexes, leading to decrease the Ubl ligase activity of SCF-type complexes such as SCF, CSA or DDB2. The complex is also involved in phosphorylation of p53/TP53, JUN, I-kappa-B-alpha/NFKBIA, ITPK1 and IRF8/ICSBP, possibly via its association with CK2 and PKD kinases. CSN-dependent phosphorylation of TP53 and JUN promotes and protects degradation by the Ubl system, respectively.

AlphaFold DB (A0A2K5WYD3), UniProt , Accession A0A087X1P5, Species HUMAN (Homo sapiens, Human), Gene COPS7B, Length 209 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
1M31.7Very low45.5Very low246 Ų246128.4 Ų128.4100%1.21273%0.725SS**  0104.40-63.3-168.9-150.800106.8
2A35.4Very low47Very low102 Ų102121.4 Ų121.484%0.84368%0.684SS**  trans-77.4122177.300000107.7E4A2-E4 PolarHBondContact O-N 3.34Å
3G37.2Very low48.5Very low77 Ų77122.2 Ų122.279%0.79468%0.679SS**  trans-68.9115.9176.900000109.8Q5G3-Q5 PolarHBondContact O-N 3.45Å
4E36.3Very low50.1Low197 Ų197121.6 Ų121.692%0.92167%0.668SS**  trans-67.897.8164.2-69.9-177.7112.800108A2 K6A2-E4 PolarHBondContact O-N 3.34Å; E4-K6 PolarHBondContact O-N 3.2Å
5Q39.8Very low51.5Low191 Ų191114.3 Ų114.389%0.89363%0.627SS**  trans-67.3101.8164.1-104.6-177.1-11.300107.6G3 P7G3-Q5 PolarHBondContact O-N 3.45Å; Q5-P7 WeakPolarHBondContact O-CD 3.41Å
6K39.4Very low52.6Low198 Ų198108.6 Ų108.686%0.86160%0.595SS**  trans-58115.3169.2-158.1172.1-170.2174.90107.7E4E4-K6 PolarHBondContact O-N 3.2Å
7P45.7Very low53.7Low81 Ų81109.6 Ų109.653%0.52660%0.599SS.*  trans-63.8143.5-178.826.4-32.5000109.5Q5 S9 G39Q5-P7 WeakPolarHBondContact O-CD 3.41Å; P7-S9 PolarHBondContact O-N 3.48Å; P7-G39 WeakPolarHBondContact CB-O 3.44Å
8S50.9Low54.6Low53 Ų53108.1 Ų108.137%0.37159%0.59SS.*  trans-58.193.3-176.732.20000111.8N10 L11S8-N10 PolarHBondContact O-N 3.12Å; S8-L11 PolarHBondContact O-N 3.04Å; S8-L11 WeakPolarHBondContact OG-CD1 3.45Å
9S54.3Low55.1Low80 Ų80102.4 Ų102.456%0.55956%0.559SS**Hα-helixtrans-52.6-30.2176.860.50000113.4P7 L11 E13P7-S9 PolarHBondContact O-N 3.48Å; S9-L11 PolarHBondContact O-N 3.41Å; S9-E13 PolarHBondContact O-N 3.48Å
10N63.4Low55.6Low125 Ų125103.8 Ų103.867%0.66856%0.559SS**Hα-helixtrans-65.6-34175.7-90.5-83.3000113.9S8 Q14S8-N10 PolarHBondContact O-N 3.12Å; N10-Q14 WeakPolarHBondContact O-CB 3.47Å; N10-Q14 PolarHBondContact O-N 3.26Å
11L66.7Low55.8Low62 Ų62102 Ų10233%0.32557%0.565SS.*Hα-helixtrans-72.8-41.7-178-94.5156.1000110.6S8 S9 Q14 F15S8-L11 PolarHBondContact O-N 3.04Å; S8-L11 WeakPolarHBondContact OG-CD1 3.45Å; S9-L11 PolarHBondContact O-N 3.41Å; L11-Q14 PolarHBondContact O-N 3.44Å; L11-F15 HydrophobicContact CB-CD2 4.49Å; L11-F15 HydrophobicContact CB-CE2 4.28Å; L11-F15 HydrophobicContact CD2-CE2 3.77Å; L11-F15 HydrophobicContact CD2-CZ 4.12Å; L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 WeakPolarHBondContact O-CG 3.4Å; L11-F15 PolarHBondContact O-N 2.93Å
12L62.9Low57.2Low45 Ų4591.9 Ų91.924%0.23652%0.517CS..Hα-helixtrans-62.3-46.1176.5-171.267.7000111.3Q14 F15 I16 V40L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-Q14 PolarHBondContact O-N 3.15Å; L12-F15 PolarHBondContact O-N 3.23Å; L12-I16 HydrophobicContact CG-CD1 4Å; L12-I16 WeakPolarHBondContact O-CB 3.41Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.38Å; L12-I16 PolarHBondContact O-N 2.95Å; L12-V40 HydrophobicContact CD1-CG1 4.1Å
13E66.6Low58.2Low132 Ų13291.5 Ų91.562%0.61751%0.508SS*.Hα-helixtrans-60-39.7175-75.2-175.8-173.500112.3S9 I16 L17S9-E13 PolarHBondContact O-N 3.48Å; E13-I16 PolarHBondContact O-N 2.68Å; E13-L17 WeakPolarHBondContact O-CB 3.47Å; E13-L17 PolarHBondContact O-N 3.44Å
14Q71.6Confident59.7Low114 Ų11490.4 Ų90.453%0.53350%0.497SS..Hα-helixtrans-65.6-42177.2-166.117930.800111.8N10 L11 L12 L17 L18N10-Q14 WeakPolarHBondContact O-CB 3.47Å; N10-Q14 PolarHBondContact O-N 3.26Å; L11-Q14 PolarHBondContact O-N 3.44Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-Q14 PolarHBondContact O-N 3.15Å; Q14-L17 PolarHBondContact O-N 3.21Å; Q14-L18 HydrophobicContact CG-CD1 4.43Å; Q14-L18 WeakPolarHBondContact O-CB 3.43Å; Q14-L18 VanDerWaalsContact O-CG 3.31Å; Q14-L18 WeakPolarHBondContact O-CG 3.43Å; Q14-L18 PolarHBondContact O-N 3.24Å
15F70.9Confident60.8Low12 Ų1286.1 Ų86.15%0.05349%0.489CS..Hα-helixtrans-67.2-39.2175.6-71.3-56.4000112.4L11 L12 L17 L18 A19 L30 Q33 V34 A37L11-F15 HydrophobicContact CB-CD2 4.49Å; L11-F15 HydrophobicContact CB-CE2 4.28Å; L11-F15 HydrophobicContact CD2-CE2 3.77Å; L11-F15 HydrophobicContact CD2-CZ 4.12Å; L11-F15 WeakPolarHBondContact O-CD2 3.48Å; L11-F15 WeakPolarHBondContact O-CG 3.4Å; L11-F15 PolarHBondContact O-N 2.93Å; L12-F15 PolarHBondContact O-N 3.23Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 PolarHBondContact O-N 3.01Å; F15-L18 PolarHBondContact O-N 3.49Å; F15-A19 VanDerWaalsContact O-CB 3.22Å; F15-A19 WeakPolarHBondContact O-CB 3.39Å; F15-A19 PolarHBondContact O-N 3.46Å; F15-L30 HydrophobicContact CD1-CD1 3.91Å; F15-L30 HydrophobicContact CE1-CD1 4.47Å; F15-Q33 HydrophobicContact CE1-CG 4.28Å; F15-V34 HydrophobicContact CB-CG2 3.84Å; F15-V34 HydrophobicContact CD1-CG2 3.44Å; F15-V34 VanDerWaalsContact CD1-CG2 3.44Å; F15-V34 HydrophobicContact CD2-CG2 3.98Å; F15-V34 HydrophobicContact CE1-CG2 3.87Å; F15-V34 HydrophobicContact CE2-CG2 4.37Å; F15-V34 HydrophobicContact CG-CG2 3.51Å; F15-V34 HydrophobicContact CZ-CG2 4.32Å; F15-A37 HydrophobicContact CE2-CB 3.92Å; F15-A37 HydrophobicContact CZ-CB 4.1Å
16I68.1Low61.8Low23 Ų2379.3 Ų79.312%0.11847%0.466CS..Hα-helixtrans-61.6-42.9173.3-73.9168000110.8L12 E13 A19 K20 E45 L49L12-I16 HydrophobicContact CG-CD1 4Å; L12-I16 WeakPolarHBondContact O-CB 3.41Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.38Å; L12-I16 PolarHBondContact O-N 2.95Å; E13-I16 PolarHBondContact O-N 2.68Å; I16-A19 PolarHBondContact O-N 3.01Å; I16-K20 HydrophobicContact CG2-CD 4.3Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.37Å; I16-K20 PolarHBondContact O-N 3Å; I16-E45 HydrophobicContact CD1-CB 4.14Å; I16-E45 WeakPolarHBondContact CD1-OE2 3.49Å; I16-L49 HydrophobicContact CG2-CD2 4.11Å
17L71.7Confident63Low126 Ų12671.1 Ų71.166%0.6643%0.431SS*.Hα-helixtrans-64.7-43.8178.3-164.582.4000111.8E13 Q14 F15 A19 K20 G21E13-L17 WeakPolarHBondContact O-CB 3.47Å; E13-L17 PolarHBondContact O-N 3.44Å; Q14-L17 PolarHBondContact O-N 3.21Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 PolarHBondContact O-N 3.01Å; L17-A19 VanDerWaalsContact C-N 3.35Å; L17-K20 PolarHBondContact O-N 3.39Å; L17-G21 PolarHBondContact O-N 3.2Å
18L69.4Low63.7Low81 Ų8171.8 Ų71.842%0.42443%0.434SS..Hα-helixtrans-64.5-41.3176-74167.7000111.4Q14 F15 K20 G21 T22 L30Q14-L18 HydrophobicContact CG-CD1 4.43Å; Q14-L18 WeakPolarHBondContact O-CB 3.43Å; Q14-L18 VanDerWaalsContact O-CG 3.31Å; Q14-L18 WeakPolarHBondContact O-CG 3.43Å; Q14-L18 PolarHBondContact O-N 3.24Å; F15-L18 PolarHBondContact O-N 3.49Å; L18-K20 PolarHBondContact O-N 2.94Å; L18-G21 PolarHBondContact O-N 3.27Å; L18-G21 VanDerWaalsContact O-N 3.16Å; L18-T22 WeakPolarHBondContact O-CB 3.42Å; L18-T22 WeakPolarHBondContact O-CG2 3.27Å; L18-T22 PolarHBondContact O-N 3.16Å; L18-T22 VanDerWaalsContact O-N 3.17Å; L18-T22 PolarHBondContact O-OG1 2.86Å; L18-L30 HydrophobicContact CB-CD1 3.72Å; L18-L30 HydrophobicContact CB-CD2 3.86Å; L18-L30 HydrophobicContact CB-CG 4.47Å; L18-L30 HydrophobicContact CD1-CD1 3.87Å; L18-L30 HydrophobicContact CG-CD1 4.42Å
19A65.5Low64.6Low1 Ų172.1 Ų72.11%0.00844%0.439CS..Hα-helixtrans-62.5-44178.900000110.5F15 I16 L17 G21 T22 L27 L30 L46 L49 N51F15-A19 VanDerWaalsContact O-CB 3.22Å; F15-A19 WeakPolarHBondContact O-CB 3.39Å; F15-A19 PolarHBondContact O-N 3.46Å; I16-A19 PolarHBondContact O-N 3.01Å; L17-A19 VanDerWaalsContact C-N 3.35Å; A19-G21 PolarHBondContact O-N 3.35Å; A19-G21 VanDerWaalsContact O-N 3.16Å; A19-T22 PolarHBondContact O-N 2.78Å; A19-L27 HydrophobicContact CB-CD1 4.25Å; A19-L30 HydrophobicContact CB-CD2 3.59Å; A19-L30 VanDerWaalsContact N-CD2 3.27Å; A19-L46 HydrophobicContact CB-CD1 4.26Å; A19-L49 HydrophobicContact CB-CD1 3.27Å; A19-N51 PolarHBondContact O-ND2 2.8Å
20K64.1Low65.4Low130 Ų13068.9 Ų68.957%0.56542%0.416SS*.Hα-helixtrans-55.6-30.4174.9-75172.4-179.8178.30113.9I16 L17 L18 L49 N51I16-K20 HydrophobicContact CG2-CD 4.3Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.37Å; I16-K20 PolarHBondContact O-N 3Å; L17-K20 PolarHBondContact O-N 3.39Å; L18-K20 PolarHBondContact O-N 2.94Å; K20-L49 HydrophobicContact CG-CD2 4.12Å; K20-N51 VanDerWaalsContact C-ND2 3.33Å; K20-N51 WeakPolarHBondContact CA-ND2 3.43Å; K20-N51 PolarHBondContact O-ND2 2.95Å; K20-N51 VanDerWaalsContact O-ND2 3.11Å
21G59Low65.6Low67 Ų6766.3 Ų66.369%0.69140%0.401SS*.Hα-helixtrans-99.6-1.7-177.800000115.7L17 L18 A19L17-G21 PolarHBondContact O-N 3.2Å; L18-G21 PolarHBondContact O-N 3.27Å; L18-G21 VanDerWaalsContact O-N 3.16Å; A19-G21 PolarHBondContact O-N 3.35Å; A19-G21 VanDerWaalsContact O-N 3.16Å
22T62.7Low65.7Low33 Ų3366.4 Ų66.420%0.20241%0.408CS..  trans-122.5145.5-173.251.40000112L18 A19 A26 N51L18-T22 WeakPolarHBondContact O-CB 3.42Å; L18-T22 WeakPolarHBondContact O-CG2 3.27Å; L18-T22 PolarHBondContact O-N 3.16Å; L18-T22 VanDerWaalsContact O-N 3.17Å; L18-T22 PolarHBondContact O-OG1 2.86Å; A19-T22 PolarHBondContact O-N 2.78Å; T22-A26 HydrophobicContact CG2-CB 4.15Å; T22-N51 PolarHBondContact O-ND2 3.45Å
23S56.3Low66Low93 Ų9370.1 Ų70.165%0.6542%0.423SS*.  trans-140.1154.8-177.2-39.60000110.6S25S23-S25 PolarHBondContact O-N 3.45Å
24G68.5Low66.1Low55 Ų5563.9 Ų63.957%0.56740%0.395SS*.THydrogen-bonded Turntrans62.3-130.9176.200000113.1A26 L27 T28G24-A26 PolarHBondContact O-N 3.49Å; G24-L27 WeakPolarHBondContact O-CB 3.3Å; G24-L27 PolarHBondContact O-N 3.15Å; G24-T28 PolarHBondContact O-N 3.02Å; G24-T28 PolarHBondContact O-OG1 2.85Å
25S58.7Low65.7Low106 Ų10662.1 Ų62.174%0.74139%0.388SS*.Hα-helixtrans-57.6-33.3-176.5176.90000113.9S23 L27 T28 A29S23-S25 PolarHBondContact O-N 3.45Å; S25-L27 VanDerWaalsContact C-N 3.31Å; S25-L27 PolarHBondContact O-N 3.1Å; S25-T28 WeakPolarHBondContact O-CB 3.35Å; S25-T28 PolarHBondContact O-N 3.28Å; S25-A29 PolarHBondContact O-N 3.15Å; S25-A29 VanDerWaalsContact O-N 3.12Å
26A60.9Low65.4Low49 Ų4966.9 Ų66.941%0.40541%0.411SS..Hα-helixtrans-67.1-33.1177.400000112.4T22 G24 L30T22-A26 HydrophobicContact CG2-CB 4.15Å; G24-A26 PolarHBondContact O-N 3.49Å; A26-L30 WeakPolarHBondContact O-CB 3.32Å; A26-L30 PolarHBondContact O-N 3.23Å
27L64.2Low65.1Low26 Ų2666.7 Ų66.714%0.13641%0.413CS..Hα-helixtrans-70.3-37.9176.2-173.964.4000110.8A19 G24 S25 A29 L30 I31A19-L27 HydrophobicContact CB-CD1 4.25Å; G24-L27 WeakPolarHBondContact O-CB 3.3Å; G24-L27 PolarHBondContact O-N 3.15Å; S25-L27 VanDerWaalsContact C-N 3.31Å; S25-L27 PolarHBondContact O-N 3.1Å; L27-A29 PolarHBondContact O-N 3.38Å; L27-L30 HydrophobicContact CD1-CD2 4.31Å; L27-L30 WeakPolarHBondContact O-CB 3.46Å; L27-L30 PolarHBondContact O-N 2.89Å; L27-I31 HydrophobicContact CG-CD1 4.23Å; L27-I31 VanDerWaalsContact O-CG1 3.31Å; L27-I31 WeakPolarHBondContact O-CG1 3.29Å; L27-I31 PolarHBondContact O-N 2.97Å
28T61.1Low64Low95 Ų9566.3 Ų66.358%0.58342%0.418SS*.Hα-helixtrans-62.3-43.2175.3-39.30000111.6G24 S25 L30 I31 S32G24-T28 PolarHBondContact O-N 3.02Å; G24-T28 PolarHBondContact O-OG1 2.85Å; S25-T28 WeakPolarHBondContact O-CB 3.35Å; S25-T28 PolarHBondContact O-N 3.28Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 2.9Å; T28-I31 PolarHBondContact O-N 3.41Å; T28-S32 PolarHBondContact O-N 2.85Å; T28-S32 VanDerWaalsContact O-N 3.08Å
29A69.4Low63.4Low59 Ų5963.3 Ų63.349%0.48841%0.407SS..Hα-helixtrans-63.4-39.9174.700000111.9S25 L27 S32 Q33S25-A29 PolarHBondContact O-N 3.15Å; S25-A29 VanDerWaalsContact O-N 3.12Å; L27-A29 PolarHBondContact O-N 3.38Å; A29-S32 WeakPolarHBondContact O-CB 3.29Å; A29-S32 PolarHBondContact O-N 2.97Å; A29-Q33 PolarHBondContact O-N 3.36Å
30L71.7Confident63Low13 Ų1364.3 Ų64.37%0.06841%0.412CS..Hα-helixtrans-63.2-45.5176.5-173.469.4000111.7F15 L18 A19 A26 L27 T28 S32 Q33 V34F15-L30 HydrophobicContact CD1-CD1 3.91Å; F15-L30 HydrophobicContact CE1-CD1 4.47Å; L18-L30 HydrophobicContact CB-CD1 3.72Å; L18-L30 HydrophobicContact CB-CD2 3.86Å; L18-L30 HydrophobicContact CB-CG 4.47Å; L18-L30 HydrophobicContact CD1-CD1 3.87Å; L18-L30 HydrophobicContact CG-CD1 4.42Å; A19-L30 HydrophobicContact CB-CD2 3.59Å; A19-L30 VanDerWaalsContact N-CD2 3.27Å; A26-L30 WeakPolarHBondContact O-CB 3.32Å; A26-L30 PolarHBondContact O-N 3.23Å; L27-L30 HydrophobicContact CD1-CD2 4.31Å; L27-L30 WeakPolarHBondContact O-CB 3.46Å; L27-L30 PolarHBondContact O-N 2.89Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 2.9Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 3.21Å; L30-Q33 PolarHBondContact O-N 3.18Å; L30-V34 VanDerWaalsContact O-CG2 3.25Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.15Å
31I67.8Low62.5Low70 Ų7067.3 Ų67.336%0.35942%0.422SS..Hα-helixtrans-58.6-43.9176.2-69.1164.7000110.3L27 T28 Q33 V34 L35 L46L27-I31 HydrophobicContact CG-CD1 4.23Å; L27-I31 VanDerWaalsContact O-CG1 3.31Å; L27-I31 WeakPolarHBondContact O-CG1 3.29Å; L27-I31 PolarHBondContact O-N 2.97Å; T28-I31 PolarHBondContact O-N 3.41Å; I31-Q33 VanDerWaalsContact C-N 3.27Å; I31-Q33 PolarHBondContact O-N 2.72Å; I31-V34 PolarHBondContact O-N 3.36Å; I31-L35 HydrophobicContact CG2-CD1 4.08Å; I31-L35 HydrophobicContact CG2-CG 4.49Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 2.98Å; I31-L46 HydrophobicContact CG1-CD2 4.26Å
32S68.7Low62.1Low65 Ų6569.7 Ų69.746%0.45542%0.422SS..Hα-helixtrans-59.2-39.4175.1-163.80000112.1T28 A29 L30 L35 E36T28-S32 PolarHBondContact O-N 2.85Å; T28-S32 VanDerWaalsContact O-N 3.08Å; A29-S32 WeakPolarHBondContact O-CB 3.29Å; A29-S32 PolarHBondContact O-N 2.97Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 3.21Å; S32-L35 PolarHBondContact O-N 3.37Å; S32-E36 WeakPolarHBondContact O-CG 3.45Å; S32-E36 PolarHBondContact O-N 2.88Å
33Q70.3Confident61.9Low122 Ų12272 Ų7257%0.5743%0.429SS*.Hα-helixtrans-74.2-30.6179.9-166.3159.6-1100113.1F15 A29 L30 I31 E36 A37F15-Q33 HydrophobicContact CE1-CG 4.28Å; A29-Q33 PolarHBondContact O-N 3.36Å; L30-Q33 PolarHBondContact O-N 3.18Å; I31-Q33 VanDerWaalsContact C-N 3.27Å; I31-Q33 PolarHBondContact O-N 2.72Å; Q33-E36 PolarHBondContact O-N 3.38Å; Q33-A37 PolarHBondContact O-N 3.05Å
34V68.1Low61.8Low2 Ų269.4 Ų69.41%0.01242%0.418CS..Hα-helixtrans-68.8-40172179.90000110.4F15 L30 I31 E36 A37 V40 F43F15-V34 HydrophobicContact CB-CG2 3.84Å; F15-V34 HydrophobicContact CD1-CG2 3.44Å; F15-V34 VanDerWaalsContact CD1-CG2 3.44Å; F15-V34 HydrophobicContact CD2-CG2 3.98Å; F15-V34 HydrophobicContact CE1-CG2 3.87Å; F15-V34 HydrophobicContact CE2-CG2 4.37Å; F15-V34 HydrophobicContact CG-CG2 3.51Å; F15-V34 HydrophobicContact CZ-CG2 4.32Å; L30-V34 VanDerWaalsContact O-CG2 3.25Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.15Å; I31-V34 PolarHBondContact O-N 3.36Å; V34-E36 VanDerWaalsContact C-N 3.27Å; V34-E36 PolarHBondContact O-N 3.32Å; V34-A37 WeakPolarHBondContact O-CB 3.4Å; V34-A37 PolarHBondContact O-N 2.96Å; V34-V40 HydrophobicContact CG1-CG1 3.97Å; V34-F43 HydrophobicContact CG1-CD1 4.26Å; V34-F43 HydrophobicContact CG1-CE1 3.81Å
35L62.6Low61.2Low76 Ų7672 Ų7240%0.39842%0.416SS..Hα-helixtrans-65.8-27.9176.7-69.6170.2000113I31 S32 F43 V129I31-L35 HydrophobicContact CG2-CD1 4.08Å; I31-L35 HydrophobicContact CG2-CG 4.49Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 2.98Å; S32-L35 PolarHBondContact O-N 3.37Å; L35-F43 HydrophobicContact CD2-CE1 3.89Å; L35-F43 HydrophobicContact CD2-CE2 4.47Å; L35-F43 HydrophobicContact CD2-CZ 3.62Å; L35-V129 HydrophobicContact CD1-CG1 4.3Å
36E65.2Low60.9Low112 Ų11268 Ų6852%0.52339%0.386SS..THydrogen-bonded Turntrans-82.2-11.9175.3-72.9-170.6155.700113.7S32 Q33 V34 P38 Q136S32-E36 WeakPolarHBondContact O-CG 3.45Å; S32-E36 PolarHBondContact O-N 2.88Å; Q33-E36 PolarHBondContact O-N 3.38Å; V34-E36 VanDerWaalsContact C-N 3.27Å; V34-E36 PolarHBondContact O-N 3.32Å; E36-P38 VanDerWaalsContact O-CD 3.24Å; E36-P38 WeakPolarHBondContact O-CD 3.49Å; E36-Q136 PolarHBondContact OE1-NE2 3.43Å
37A61Low60.4Low19 Ų1971.8 Ų71.816%0.15740%0.398CS..SBendtrans-79.1114.3-17700000111.4F15 Q33 V34 G39 V40F15-A37 HydrophobicContact CE2-CB 3.92Å; F15-A37 HydrophobicContact CZ-CB 4.1Å; Q33-A37 PolarHBondContact O-N 3.05Å; V34-A37 WeakPolarHBondContact O-CB 3.4Å; V34-A37 PolarHBondContact O-N 2.96Å; A37-G39 PolarHBondContact O-N 2.89Å; A37-G39 VanDerWaalsContact O-N 3.16Å; A37-V40 HydrophobicContact CB-CG2 4.45Å
38P48.4Very low59.8Low119 Ų11978.1 Ų78.177%0.77343%0.427SS*.THydrogen-bonded Turntrans-66.4117.9177.525.5-31.4000110.3E36E36-P38 VanDerWaalsContact O-CD 3.24Å; E36-P38 WeakPolarHBondContact O-CD 3.49Å
39G58Low59.2Low18 Ų1874.4 Ų74.419%0.18640%0.403CS..THydrogen-bonded Turntrans119.2-8.217700000115.8P7 A37P7-G39 WeakPolarHBondContact CB-O 3.44Å; A37-G39 PolarHBondContact O-N 2.89Å; A37-G39 VanDerWaalsContact O-N 3.16Å
40V56.2Low58.1Low21 Ų2174.5 Ų74.513%0.12741%0.405CS..  trans-103.2102.5177.4-175.70000109.4L12 V34 A37L12-V40 HydrophobicContact CD1-CG1 4.1Å; V34-V40 HydrophobicContact CG1-CG1 3.97Å; A37-V40 HydrophobicContact CB-CG2 4.45Å
41Y53.4Low56.9Low194 Ų19477.2 Ų77.276%0.76142%0.419SS*.  trans-116.30.7-176.5-59.3-76.9000113.6
42V51.7Low55.9Low116 Ų11677.8 Ų77.870%0.70343%0.426SS*.  trans-131120.7-177.6-174.50000108.6
43F58.3Low55.2Low81 Ų8177.1 Ų77.136%0.35542%0.415SS..  trans-109.45.6-172-57.6-88.1000113.4V34 L35 E45 L46 L47V34-F43 HydrophobicContact CG1-CD1 4.26Å; V34-F43 HydrophobicContact CG1-CE1 3.81Å; L35-F43 HydrophobicContact CD2-CE1 3.89Å; L35-F43 HydrophobicContact CD2-CE2 4.47Å; L35-F43 HydrophobicContact CD2-CZ 3.62Å; F43-E45 VanDerWaalsContact C-N 3.33Å; F43-E45 PolarHBondContact O-N 3.44Å; F43-L46 WeakPolarHBondContact O-CB 3.31Å; F43-L46 PolarHBondContact O-N 2.92Å; F43-L47 PolarHBondContact O-N 2.91Å; F43-L47 VanDerWaalsContact O-N 3.13Å
44G53.3Low55Low40 Ų4078.8 Ų78.841%0.41242%0.423SS..Hα-helixtrans-55.2-44.9-175.300000113.1L46 L47 E48G44-L46 VanDerWaalsContact C-N 3.26Å; G44-L46 PolarHBondContact O-N 3.37Å; G44-L47 WeakPolarHBondContact O-CB 3.32Å; G44-L47 PolarHBondContact O-N 3.43Å; G44-L47 VanDerWaalsContact O-N 3.14Å; G44-E48 PolarHBondContact O-N 2.96Å; G44-E48 VanDerWaalsContact O-N 3.11Å
45E56Low55.4Low110 Ų11080.6 Ų80.651%0.51444%0.435SS..Hα-helixtrans-68.1-23.2178.7-62.2-179.3-172.500113.5I16 F43 L49I16-E45 HydrophobicContact CD1-CB 4.14Å; I16-E45 WeakPolarHBondContact CD1-OE2 3.49Å; F43-E45 VanDerWaalsContact C-N 3.33Å; F43-E45 PolarHBondContact O-N 3.44Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å
46L52.9Low56.3Low22 Ų2279.7 Ų79.712%0.11543%0.431CS..Hα-helixtrans-79-30.5175.2-149.988.8000111.2A19 I31 F43 G44 L49A19-L46 HydrophobicContact CB-CD1 4.26Å; I31-L46 HydrophobicContact CG1-CD2 4.26Å; F43-L46 WeakPolarHBondContact O-CB 3.31Å; F43-L46 PolarHBondContact O-N 2.92Å; G44-L46 VanDerWaalsContact C-N 3.26Å; G44-L46 PolarHBondContact O-N 3.37Å; L46-L49 HydrophobicContact CD1-CD1 4.06Å; L46-L49 HydrophobicContact CG-CD1 4.08Å; L46-L49 WeakPolarHBondContact O-CB 3.38Å; L46-L49 WeakPolarHBondContact O-CG 3.41Å
47L50.8Low57.4Low128 Ų12876.7 Ų76.767%0.6742%0.421SS*.Hα-helixtrans-75-32.6176.9-132.177.8000112F43 G44 L49F43-L47 PolarHBondContact O-N 2.91Å; F43-L47 VanDerWaalsContact O-N 3.13Å; G44-L47 WeakPolarHBondContact O-CB 3.32Å; G44-L47 PolarHBondContact O-N 3.43Å; G44-L47 VanDerWaalsContact O-N 3.14Å; L47-L49 PolarHBondContact O-N 3.46Å
48E50.2Low58.6Low159 Ų15975.9 Ų75.974%0.74341%0.413SS*.THydrogen-bonded Turntrans-71.8-0.7174.1-75.3179.9168.200113.7G44 A50G44-E48 PolarHBondContact O-N 2.96Å; G44-E48 VanDerWaalsContact O-N 3.11Å; E48-A50 PolarHBondContact O-N 3.32Å
49L50.3Low60.4Low16 Ų1674.1 Ų74.18%0.08440%0.404CS..SBendtrans-74.5129176.8-61.9175.7000110.3I16 A19 K20 E45 L46 L47 N51 V52 Q53I16-L49 HydrophobicContact CG2-CD2 4.11Å; A19-L49 HydrophobicContact CB-CD1 3.27Å; K20-L49 HydrophobicContact CG-CD2 4.12Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; L46-L49 HydrophobicContact CD1-CD1 4.06Å; L46-L49 HydrophobicContact CG-CD1 4.08Å; L46-L49 WeakPolarHBondContact O-CB 3.38Å; L46-L49 WeakPolarHBondContact O-CG 3.41Å; L47-L49 PolarHBondContact O-N 3.46Å; L49-N51 PolarHBondContact O-N 2.86Å; L49-V52 PolarHBondContact O-N 3.29Å; L49-Q53 PolarHBondContact O-N 2.9Å
50A45.5Very low61.7Low62 Ų6276.2 Ų76.251%0.51241%0.413SS..THydrogen-bonded Turntrans-54.7-9.1177.200000115.1E48 V52 Q53E48-A50 PolarHBondContact O-N 3.32Å; A50-V52 VanDerWaalsContact C-N 3.31Å; A50-Q53 VanDerWaalsContact O-O 3.06Å
51N47.2Very low63.1Low69 Ų6976.6 Ų76.637%0.36941%0.414SS..THydrogen-bonded Turntrans-82.7-14.2176.8-60.18.9000112.1A19 K20 T22 L49A19-N51 PolarHBondContact O-ND2 2.8Å; K20-N51 VanDerWaalsContact C-ND2 3.33Å; K20-N51 WeakPolarHBondContact CA-ND2 3.43Å; K20-N51 PolarHBondContact O-ND2 2.95Å; K20-N51 VanDerWaalsContact O-ND2 3.11Å; T22-N51 PolarHBondContact O-ND2 3.45Å; L49-N51 PolarHBondContact O-N 2.86Å
52V46.8Very low64.6Low82 Ų8269.6 Ų69.650%0.49739%0.39SS..THydrogen-bonded Turntrans-103.2-26.2173.8-176.20000110.7L49 A50L49-V52 PolarHBondContact O-N 3.29Å; A50-V52 VanDerWaalsContact C-N 3.31Å
53Q53.9Low66.2Low51 Ų5171.9 Ų71.924%0.23839%0.39CS..SBendtrans-85129.5178.5-152.717431.200110.7L49 A50 C55 D100L49-Q53 PolarHBondContact O-N 2.9Å; A50-Q53 VanDerWaalsContact O-O 3.06Å; Q53-C55 PolarHBondContact O-N 3.46Å; Q53-C55 VanDerWaalsContact O-N 3.13Å; Q53-D100 PolarHBondContact NE2-OD1 3.29Å
54E64.7Low67.4Low157 Ų15773.7 Ų73.773%0.73440%0.404SS*.EExtended strand (participates in β ladder)trans-78.798.6172.8-72.7-160.8143.900109.6V99E54-V99 PolarHBondContact O-N 3.46Å
55C77.1Confident68.8Low40 Ų4075.8 Ų75.827%0.2741%0.405SS..EExtended strand (participates in β ladder)trans-91.4122.3174-60.20000110.4Q53 L96 L97Q53-C55 PolarHBondContact O-N 3.46Å; Q53-C55 VanDerWaalsContact O-N 3.13Å; C55-L96 HydrophobicContact CB-CD1 4.4Å; C55-L97 WeakPolarHBondContact CA-O 2.85Å
56I81.5Confident70.2Confident58 Ų5878.9 Ų78.930%0.29742%0.419SS..EExtended strand (participates in β ladder)trans-100.8119.5178.6-52.9178.1000109.6L61 L97 V99I56-L61 HydrophobicContact CG2-CD1 4.19Å; I56-L61 HydrophobicContact CG2-CD2 3.92Å; I56-L61 HydrophobicContact CG2-CG 3.8Å; I56-L97 PolarHBondContact N-O 3.48Å; I56-L97 PolarHBondContact O-N 2.9Å; I56-V99 HydrophobicContact CD1-CG2 4.07Å; I56-V99 HydrophobicContact CG1-CG2 4.5Å
57P87.3Confident71.6Confident49 Ų4980.6 Ų80.632%0.31843%0.428SS..EExtended strand (participates in β ladder)trans-67.8141.2175.9-19.131.8000112.7S59 V60 L61 L96P57-S59 PolarHBondContact O-N 2.89Å; P57-V60 HydrophobicContact CB-CG2 4.32Å; P57-V60 HydrophobicContact CG-CG2 4.34Å; P57-V60 WeakPolarHBondContact O-CB 3.41Å; P57-V60 PolarHBondContact O-N 3.31Å; P57-L61 PolarHBondContact O-N 2.96Å; P57-L96 HydrophobicContact CB-CD2 4.01Å; P57-L96 HydrophobicContact CG-CD2 4.01Å
58Y88.1Confident73.1Confident1 Ų185.4 Ų85.40%0.00444%0.437CS..Hα-helixtrans-60.4-30.6176.8-73.915.1000112.2V60 L61 L62 L70 L73 E74 I77 L90 Q95 L96 L97Y58-V60 VanDerWaalsContact C-N 3.25Å; Y58-V60 PolarHBondContact O-N 2.85Å; Y58-L61 PolarHBondContact O-N 3.27Å; Y58-L62 WeakPolarHBondContact O-CB 3.41Å; Y58-L62 VanDerWaalsContact O-CG 3.25Å; Y58-L62 WeakPolarHBondContact O-CG 3.27Å; Y58-L62 PolarHBondContact O-N 3.5Å; Y58-L70 HydrophobicContact CD2-CD1 3.91Å; Y58-L70 HydrophobicContact CD2-CG 4.2Å; Y58-L70 HydrophobicContact CE2-CD1 4.32Å; Y58-L70 HydrophobicContact CE2-CG 4.39Å; Y58-L73 HydrophobicContact CD1-CD2 4.43Å; Y58-L73 HydrophobicContact CD2-CD2 4.09Å; Y58-L73 HydrophobicContact CG-CD2 3.88Å; Y58-E74 HydrophobicContact CE2-CG 4.14Å; Y58-I77 HydrophobicContact CE1-CD1 4.47Å; Y58-L90 HydrophobicContact CE1-CD1 4.02Å; Y58-L90 WeakPolarHBondContact OH-CD1 3.45Å; Y58-L90 WeakPolarHBondContact OH-CG 3.48Å; Y58-Q95 VanDerWaalsContact CD1-C 3.44Å; Y58-Q95 VanDerWaalsContact CD1-O 3.25Å; Y58-Q95 WeakPolarHBondContact CD1-O 3.45Å; Y58-Q95 HydrophobicContact CD2-CB 3.99Å; Y58-Q95 HydrophobicContact CD2-CG 4.49Å; Y58-Q95 HydrophobicContact CE2-CB 4.5Å; Y58-Q95 HydrophobicContact CG-CB 4.05Å; Y58-Q95 PolarHBondContact N-O 3.1Å; Y58-L96 VanDerWaalsContact CE1-C 3.47Å; Y58-L97 HydrophobicContact CE1-CB 4.37Å
59S84.9Confident74.7Confident82 Ų8282 Ų8257%0.57342%0.424SS*.Hα-helixtrans-60.7-34.4176.755.50000113P57 K63P57-S59 PolarHBondContact O-N 2.89Å; S59-K63 WeakPolarHBondContact O-CB 3.31Å; S59-K63 PolarHBondContact O-N 3.42Å
60V86.3Confident76.5Confident62 Ų6284.1 Ų84.138%0.37644%0.435SS..Hα-helixtrans-70.8-48.3174.6178.50000109.5P57 Y58 L62 K63 D64P57-V60 HydrophobicContact CB-CG2 4.32Å; P57-V60 HydrophobicContact CG-CG2 4.34Å; P57-V60 WeakPolarHBondContact O-CB 3.41Å; P57-V60 PolarHBondContact O-N 3.31Å; Y58-V60 VanDerWaalsContact C-N 3.25Å; Y58-V60 PolarHBondContact O-N 2.85Å; V60-L62 PolarHBondContact O-N 3.46Å; V60-K63 PolarHBondContact O-N 3.28Å; V60-D64 WeakPolarHBondContact O-CB 3.37Å; V60-D64 PolarHBondContact O-N 3.46Å
61L84.8Confident78.6Confident30 Ų3088.9 Ų88.916%0.15744%0.439CS..Hα-helixtrans-62-43.3179.2-64.8174000112.6I56 P57 Y58 K63 D64 L65 L73 I77 L97I56-L61 HydrophobicContact CG2-CD1 4.19Å; I56-L61 HydrophobicContact CG2-CD2 3.92Å; I56-L61 HydrophobicContact CG2-CG 3.8Å; P57-L61 PolarHBondContact O-N 2.96Å; Y58-L61 PolarHBondContact O-N 3.27Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 3.2Å; L61-D64 PolarHBondContact O-N 2.95Å; L61-L65 HydrophobicContact CB-CD1 4.47Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 3.44Å; L61-L73 HydrophobicContact CB-CD1 3.77Å; L61-L73 HydrophobicContact CB-CD2 4.02Å; L61-L73 HydrophobicContact CD1-CD1 4.29Å; L61-I77 HydrophobicContact CD1-CD1 4.06Å; L61-L97 HydrophobicContact CD1-CB 4.43Å; L61-L97 HydrophobicContact CD1-CD2 4.24Å
62L85.7Confident80.6Confident46 Ų4690.2 Ų90.224%0.24144%0.444CS..Hα-helixtrans-60.4-40.9176.9-74.5173.7000111.5Y58 V60 E66 M67 L73Y58-L62 WeakPolarHBondContact O-CB 3.41Å; Y58-L62 VanDerWaalsContact O-CG 3.25Å; Y58-L62 WeakPolarHBondContact O-CG 3.27Å; Y58-L62 PolarHBondContact O-N 3.5Å; V60-L62 PolarHBondContact O-N 3.46Å; L62-E66 CarbonylContact O-C 3.55Å; L62-E66 WeakPolarHBondContact O-CA 3.43Å; L62-E66 PolarHBondContact O-N 2.91Å; L62-E66 VanDerWaalsContact O-N 3.14Å; L62-M67 HydrophobicContact CD2-CB 3.78Å; L62-M67 PolarHBondContact O-N 2.92Å; L62-L73 HydrophobicContact CD2-CB 3.96Å; L62-L73 HydrophobicContact CD2-CD2 3.84Å; L62-L73 HydrophobicContact CD2-CG 4.46Å; L62-L73 HydrophobicContact CG-CD2 3.82Å
63K84.7Confident82.7Confident165 Ų16586.4 Ų86.472%0.71742%0.42SS*.Hα-helixtrans-72.1-47.5179.9-174.4-174.7175.9-169.90111.7S59 V60 L61 E66S59-K63 WeakPolarHBondContact O-CB 3.31Å; S59-K63 PolarHBondContact O-N 3.42Å; V60-K63 PolarHBondContact O-N 3.28Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 3.2Å; K63-E66 PolarHBondContact O-N 3.41Å
64D83.1Confident84.4Confident119 Ų11984.4 Ų84.464%0.63641%0.411SS*.Hα-helixtrans-75.7-29.2-173.1-70.8-4.8000112.4V60 L61V60-D64 WeakPolarHBondContact O-CB 3.37Å; V60-D64 PolarHBondContact O-N 3.46Å; L61-D64 PolarHBondContact O-N 2.95Å
65L83.8Confident85.7Confident84 Ų8480.1 Ų80.144%0.4439%0.393SS..THydrogen-bonded Turntrans-93.30.7174-58.5171.9000113L61 M67 L73 L76L61-L65 HydrophobicContact CB-CD1 4.47Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 3.44Å; L65-M67 HydrophobicContact CB-CE 4.43Å; L65-M67 HydrophobicContact CB-CG 3.84Å; L65-M67 PolarHBondContact O-N 3.35Å; L65-L73 HydrophobicContact CD1-CD1 4.12Å; L65-L76 HydrophobicContact CD1-CD2 4.23Å
66E84.6Confident86.3Confident174 Ų17481.4 Ų81.481%0.81340%0.397SS*.THydrogen-bonded Turntrans50.837.4-176.9-61.7-174.7168.100113.9L62 K63L62-E66 CarbonylContact O-C 3.55Å; L62-E66 WeakPolarHBondContact O-CA 3.43Å; L62-E66 PolarHBondContact O-N 2.91Å; L62-E66 VanDerWaalsContact O-N 3.14Å; K63-E66 PolarHBondContact O-N 3.41Å
67M83Confident86.6Confident59 Ų5979.2 Ų79.229%0.29139%0.386SS..  trans-84.6137.9-179.2-67.2-64.6179.500111L62 L65 L76L62-M67 HydrophobicContact CD2-CB 3.78Å; L62-M67 PolarHBondContact O-N 2.92Å; L65-M67 HydrophobicContact CB-CE 4.43Å; L65-M67 HydrophobicContact CB-CG 3.84Å; L65-M67 PolarHBondContact O-N 3.35Å; M67-L76 HydrophobicContact CE-CD2 3.98Å
68R81.4Confident86.8Confident229 Ų22981.4 Ų81.486%0.86439%0.394SS*.SBendtrans-91-23.8-175.7-56.6-176.8-147.6160.89.3112.9
69N85Confident86.9Confident88 Ų8887.1 Ų87.147%0.47142%0.42SS..  trans-131.9136.5-168.7-6833.4000110.7R71 E72 L73N69-R71 PolarHBondContact O-N 3.3Å; N69-E72 HydrophobicContact CB-CG 4.24Å; N69-E72 PolarHBondContact O-N 2.91Å; N69-L73 PolarHBondContact O-N 3.44Å
70L86.9Confident87Confident60 Ų6084.1 Ų84.131%0.31440%0.401SS..Hα-helixtrans-60.4-33.4176.5-176141.2000112.1Y58 L73 E74Y58-L70 HydrophobicContact CD2-CD1 3.91Å; Y58-L70 HydrophobicContact CD2-CG 4.2Å; Y58-L70 HydrophobicContact CE2-CD1 4.32Å; Y58-L70 HydrophobicContact CE2-CG 4.39Å; L70-L73 PolarHBondContact O-N 3.48Å; L70-E74 VanDerWaalsContact CD2-CD 3.44Å; L70-E74 HydrophobicContact CD2-CG 4.17Å; L70-E74 VanDerWaalsContact CD2-OE1 3.26Å; L70-E74 WeakPolarHBondContact CD2-OE1 3.37Å; L70-E74 WeakPolarHBondContact O-CG 3.35Å; L70-E74 PolarHBondContact O-N 2.87Å
71R89.3Confident87.1Confident161 Ų16183.6 Ų83.661%0.60840%0.398SS*.Hα-helixtrans-63.3-44.8178.2-177.364.2-166.4-156.910.4113N69 L73 E74 D75N69-R71 PolarHBondContact O-N 3.3Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.36Å; R71-E74 PolarHBondContact O-N 2.84Å; R71-D75 IonicContact CZ-OD1 3.45Å; R71-D75 IonicContact CZ-OD2 3.96Å; R71-D75 IonicContact NE-OD1 3.17Å; R71-D75 PolarHBondContact NE-OD1 2.93Å; R71-D75 IonicContact NE-OD2 3.06Å; R71-D75 PolarHBondContact NE-OD2 3.39Å; R71-D75 IonicContact NH2-OD1 3.03Å; R71-D75 PolarHBondContact NH2-OD1 3.39Å; R71-D75 IonicContact NH2-OD2 3.91Å; R71-D75 WeakPolarHBondContact O-CB 3.43Å; R71-D75 VanDerWaalsContact O-CG 3.31Å; R71-D75 PolarHBondContact O-N 2.9Å
72E90.2Very high87.3Confident98 Ų9891.8 Ų91.846%0.45843%0.428SS..Hα-helixtrans-66.1-37.2179.2-67.6174-170.200111N69 L76N69-E72 HydrophobicContact CB-CG 4.24Å; N69-E72 PolarHBondContact O-N 2.91Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 PolarHBondContact O-N 3.27Å; E72-L76 VanDerWaalsContact O-N 3.07Å
73L89.8Confident87.5Confident1 Ų193.1 Ų93.11%0.00544%0.438CS..Hα-helixtrans-62-48.317317563.9000111.5Y58 L61 L62 L65 N69 L70 R71 L76 I77Y58-L73 HydrophobicContact CD1-CD2 4.43Å; Y58-L73 HydrophobicContact CD2-CD2 4.09Å; Y58-L73 HydrophobicContact CG-CD2 3.88Å; L61-L73 HydrophobicContact CB-CD1 3.77Å; L61-L73 HydrophobicContact CB-CD2 4.02Å; L61-L73 HydrophobicContact CD1-CD1 4.29Å; L62-L73 HydrophobicContact CD2-CB 3.96Å; L62-L73 HydrophobicContact CD2-CD2 3.84Å; L62-L73 HydrophobicContact CD2-CG 4.46Å; L62-L73 HydrophobicContact CG-CD2 3.82Å; L65-L73 HydrophobicContact CD1-CD1 4.12Å; N69-L73 PolarHBondContact O-N 3.44Å; L70-L73 PolarHBondContact O-N 3.48Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.36Å; L73-L76 PolarHBondContact O-N 2.95Å; L73-I77 HydrophobicContact CD1-CD1 3.87Å; L73-I77 HydrophobicContact CD1-CG1 4.18Å; L73-I77 HydrophobicContact CD2-CD1 4.43Å; L73-I77 HydrophobicContact CG-CD1 3.78Å; L73-I77 HydrophobicContact CG-CG1 4.47Å; L73-I77 VanDerWaalsContact O-CG1 3.27Å; L73-I77 WeakPolarHBondContact O-CG1 3.48Å; L73-I77 PolarHBondContact O-N 3.47Å
74E90.8Very high87.5Confident10 Ų1090.3 Ų90.35%0.04743%0.431CS..Hα-helixtrans-64.8-43.3-179.8-72.4179.6163.500112.2Y58 L70 R71 L76 I77 I78 L90 Q92Y58-E74 HydrophobicContact CE2-CG 4.14Å; L70-E74 VanDerWaalsContact CD2-CD 3.44Å; L70-E74 HydrophobicContact CD2-CG 4.17Å; L70-E74 VanDerWaalsContact CD2-OE1 3.26Å; L70-E74 WeakPolarHBondContact CD2-OE1 3.37Å; L70-E74 WeakPolarHBondContact O-CG 3.35Å; L70-E74 PolarHBondContact O-N 2.87Å; R71-E74 PolarHBondContact O-N 2.84Å; E74-L76 VanDerWaalsContact C-N 3.27Å; E74-L76 PolarHBondContact O-N 3.34Å; E74-I77 PolarHBondContact O-N 3.44Å; E74-I78 WeakPolarHBondContact O-CB 3.31Å; E74-I78 WeakPolarHBondContact O-CD1 3.47Å; E74-I78 WeakPolarHBondContact O-CG1 3.34Å; E74-I78 PolarHBondContact O-N 2.96Å; E74-L90 HydrophobicContact CB-CD2 4.5Å; E74-L90 HydrophobicContact CG-CD2 4.18Å; E74-Q92 VanDerWaalsContact OE1-CD 3.25Å; E74-Q92 WeakPolarHBondContact OE1-CG 3.32Å; E74-Q92 PolarHBondContact OE1-NE2 3.19Å; E74-Q92 PolarHBondContact OE2-NE2 3.4Å
75D92.3Very high87.6Confident67 Ų6787.8 Ų87.836%0.35842%0.417SS..Hα-helixtrans-61.5-38.2177.3-69.2-32000110.6R71 I78 E79R71-D75 IonicContact CZ-OD1 3.45Å; R71-D75 IonicContact CZ-OD2 3.96Å; R71-D75 IonicContact NE-OD1 3.17Å; R71-D75 PolarHBondContact NE-OD1 2.93Å; R71-D75 IonicContact NE-OD2 3.06Å; R71-D75 PolarHBondContact NE-OD2 3.39Å; R71-D75 IonicContact NH2-OD1 3.03Å; R71-D75 PolarHBondContact NH2-OD1 3.39Å; R71-D75 IonicContact NH2-OD2 3.91Å; R71-D75 WeakPolarHBondContact O-CB 3.43Å; R71-D75 VanDerWaalsContact O-CG 3.31Å; R71-D75 PolarHBondContact O-N 2.9Å; D75-I78 PolarHBondContact O-N 3.11Å; D75-E79 PolarHBondContact O-N 2.89Å
76L89.3Confident87.6Confident67 Ų6785.7 Ų85.735%0.35141%0.405SS..Hα-helixtrans-68.7-40.9174.5-176.767.3000113L65 M67 E72 L73 E74 I78 E79 A80L65-L76 HydrophobicContact CD1-CD2 4.23Å; M67-L76 HydrophobicContact CE-CD2 3.98Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 PolarHBondContact O-N 3.27Å; E72-L76 VanDerWaalsContact O-N 3.07Å; L73-L76 PolarHBondContact O-N 2.95Å; E74-L76 VanDerWaalsContact C-N 3.27Å; E74-L76 PolarHBondContact O-N 3.34Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-E79 PolarHBondContact O-N 2.94Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 2.89Å
77I88.2Confident87.5Confident12 Ų1281.9 Ų81.96%0.06239%0.388CS..Hα-helixtrans-63.4-43.3175.8-67.6165000109.8Y58 L61 L73 E74 E79 A80 V81 L90 L97Y58-I77 HydrophobicContact CE1-CD1 4.47Å; L61-I77 HydrophobicContact CD1-CD1 4.06Å; L73-I77 HydrophobicContact CD1-CD1 3.87Å; L73-I77 HydrophobicContact CD1-CG1 4.18Å; L73-I77 HydrophobicContact CD2-CD1 4.43Å; L73-I77 HydrophobicContact CG-CD1 3.78Å; L73-I77 HydrophobicContact CG-CG1 4.47Å; L73-I77 VanDerWaalsContact O-CG1 3.27Å; L73-I77 WeakPolarHBondContact O-CG1 3.48Å; L73-I77 PolarHBondContact O-N 3.47Å; E74-I77 PolarHBondContact O-N 3.44Å; I77-E79 VanDerWaalsContact C-N 3.29Å; I77-E79 PolarHBondContact O-N 3.3Å; I77-A80 PolarHBondContact O-N 3.04Å; I77-V81 HydrophobicContact CG2-CG2 4.41Å; I77-V81 WeakPolarHBondContact O-CG2 3.45Å; I77-V81 PolarHBondContact O-N 3.3Å; I77-L90 HydrophobicContact CB-CD1 4.41Å; I77-L90 HydrophobicContact CD1-CD1 4.02Å; I77-L90 HydrophobicContact CG2-CD1 3.89Å; I77-L97 HydrophobicContact CD1-CD2 4.32Å; I77-L97 HydrophobicContact CG1-CD2 4.38Å; I77-L97 HydrophobicContact CG2-CD1 3.75Å; I77-L97 HydrophobicContact CG2-CD2 4.12Å
78I91.1Very high87.6Confident94 Ų9480.3 Ų80.348%0.48239%0.387SS..Hα-helixtrans-60.4-41.4176.3-68.6163000110.4E74 D75 L76 V81 Y82E74-I78 WeakPolarHBondContact O-CB 3.31Å; E74-I78 WeakPolarHBondContact O-CD1 3.47Å; E74-I78 WeakPolarHBondContact O-CG1 3.34Å; E74-I78 PolarHBondContact O-N 2.96Å; D75-I78 PolarHBondContact O-N 3.11Å; L76-I78 VanDerWaalsContact C-N 3.33Å; I78-V81 PolarHBondContact O-N 3.41Å; I78-Y82 VanDerWaalsContact O-CB 3.3Å; I78-Y82 WeakPolarHBondContact O-CB 3.48Å; I78-Y82 PolarHBondContact O-N 3.18Å
79E90.9Very high87.7Confident121 Ų12175.9 Ų75.957%0.56537%0.373SS*.Hα-helixtrans-64.8-41.9175.6-171.1175.8-175.100112.2D75 L76 I77 V81 Y82 T83D75-E79 PolarHBondContact O-N 2.89Å; L76-E79 PolarHBondContact O-N 2.94Å; I77-E79 VanDerWaalsContact C-N 3.29Å; I77-E79 PolarHBondContact O-N 3.3Å; E79-V81 VanDerWaalsContact C-N 3.3Å; E79-V81 PolarHBondContact O-N 2.88Å; E79-Y82 PolarHBondContact O-N 3.38Å; E79-T83 WeakPolarHBondContact O-CB 3.27Å; E79-T83 WeakPolarHBondContact O-CG2 3.39Å; E79-T83 PolarHBondContact O-N 2.86Å; E79-T83 PolarHBondContact O-OG1 3.27Å
80A86.8Confident87.9Confident19 Ų1974.4 Ų74.416%0.15737%0.365CS..Hα-helixtrans-64.2-35.2175.900000112.5L76 I77 T83 I85 I86L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 2.89Å; I77-A80 PolarHBondContact O-N 3.04Å; A80-T83 WeakPolarHBondContact CA-OG1 3.45Å; A80-T83 PolarHBondContact O-OG1 2.94Å; A80-I85 WeakPolarHBondContact O-CB 3.31Å; A80-I85 PolarHBondContact O-N 3.2Å; A80-I86 HydrophobicContact CB-CD1 4.03Å; A80-I86 HydrophobicContact CB-CG1 4.3Å; A80-I86 PolarHBondContact O-N 3.44Å
81V87.3Confident87.8Confident52 Ų5273.1 Ų73.132%0.31536%0.359SS..Hα-helixtrans-71.3-42.6173.3173.90000111I77 I78 E79 T83 D84 I86I77-V81 HydrophobicContact CG2-CG2 4.41Å; I77-V81 WeakPolarHBondContact O-CG2 3.45Å; I77-V81 PolarHBondContact O-N 3.3Å; I78-V81 PolarHBondContact O-N 3.41Å; E79-V81 VanDerWaalsContact C-N 3.3Å; E79-V81 PolarHBondContact O-N 2.88Å; V81-T83 PolarHBondContact O-N 2.85Å; V81-D84 PolarHBondContact O-N 2.91Å; V81-I86 WeakPolarHBondContact CA-O 3.28Å
82Y89.6Confident87.7Confident202 Ų20270.9 Ų70.979%0.79236%0.355SS*.Hα-helixtrans-64.9-27.8178.9-172.1-99000113.2I78 E79 D84I78-Y82 VanDerWaalsContact O-CB 3.3Å; I78-Y82 WeakPolarHBondContact O-CB 3.48Å; I78-Y82 PolarHBondContact O-N 3.18Å; E79-Y82 PolarHBondContact O-N 3.38Å; Y82-D84 VanDerWaalsContact C-N 3.29Å
83T88.8Confident87.5Confident73 Ų7377 Ų7745%0.44837%0.374SS..THydrogen-bonded Turntrans-88.87.3176.149.90000113.3E79 A80 V81 I85E79-T83 WeakPolarHBondContact O-CB 3.27Å; E79-T83 WeakPolarHBondContact O-CG2 3.39Å; E79-T83 PolarHBondContact O-N 2.86Å; E79-T83 PolarHBondContact O-OG1 3.27Å; A80-T83 WeakPolarHBondContact CA-OG1 3.45Å; A80-T83 PolarHBondContact O-OG1 2.94Å; V81-T83 PolarHBondContact O-N 2.85Å; T83-I85 PolarHBondContact O-N 3.42Å; T83-I85 VanDerWaalsContact O-N 3.11Å; T83-I85 WeakPolarHBondContact OG1-CD1 3.45Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.35Å
84D85.6Confident87.2Confident106 Ų10681.6 Ų81.657%0.56740%0.399SS*.THydrogen-bonded Turntrans56.320.9-177.5-67.7-51000114.1V81 Y82V81-D84 PolarHBondContact O-N 2.91Å; Y82-D84 VanDerWaalsContact C-N 3.29Å
85I84.4Confident87Confident67 Ų6786.2 Ų86.234%0.34442%0.42SS..SBendtrans-71.5-39175.2-62.1178.6000109.6A80 T83 C102 I103A80-I85 WeakPolarHBondContact O-CB 3.31Å; A80-I85 PolarHBondContact O-N 3.2Å; T83-I85 PolarHBondContact O-N 3.42Å; T83-I85 VanDerWaalsContact O-N 3.11Å; T83-I85 WeakPolarHBondContact OG1-CD1 3.45Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.35Å; I85-C102 WeakPolarHBondContact O-CA 3.39Å; I85-I103 HydrophobicContact CB-CD1 4.06Å; I85-I103 HydrophobicContact CB-CG1 4.2Å; I85-I103 HydrophobicContact CG1-CD1 3.84Å; I85-I103 HydrophobicContact CG2-CD1 3.91Å; I85-I103 HydrophobicContact CG2-CG1 3.71Å; I85-I103 PolarHBondContact O-N 3.38Å
86I84.1Confident86.8Confident39 Ų3985.3 Ų85.320%0.242%0.415CS..EExtended strand (participates in β ladder)trans-129.2130.8-179.8-53.7177.4000107.7A80 V81 V99 C102A80-I86 HydrophobicContact CB-CD1 4.03Å; A80-I86 HydrophobicContact CB-CG1 4.3Å; A80-I86 PolarHBondContact O-N 3.44Å; V81-I86 WeakPolarHBondContact CA-O 3.28Å; I86-V99 HydrophobicContact CG2-CG1 3.94Å; I86-V99 HydrophobicContact CG2-CG2 4.17Å; I86-C102 HydrophobicContact CG1-CB 4.48Å
87Q83.9Confident86.6Confident95 Ų9582.3 Ų82.344%0.44440%0.4SS..EExtended strand (participates in β ladder)trans-108.4129.3166.2-60.8-174.6-28.400107.9D100 F101Q87-D100 PolarHBondContact O-N 3.37Å; Q87-F101 HydrophobicContact CB-CB 4.15Å; Q87-F101 HydrophobicContact CG-CD1 4.32Å; Q87-F101 PolarHBondContact N-O 2.94Å; Q87-F101 PolarHBondContact O-N 3.03Å
88G84.4Confident86.5Confident26 Ų2683.6 Ų83.627%0.26841%0.405SS..EExtended strand (participates in β ladder)trans170.6178.4-173.100000112.3E98G88-E98 CarbonylContact C-O 3.34Å; G88-E98 WeakPolarHBondContact CA-O 3.39Å
89K84.1Confident86.1Confident135 Ų13580.3 Ų80.359%0.58739%0.39SS*.EExtended strand (participates in β ladder)trans-118.3133.7-176.5-167.7178.4177.7-172.20111.1E98K89-E98 HydrophobicContact CB-CB 4.21Å; K89-E98 PolarHBondContact N-O 2.8Å; K89-E98 PolarHBondContact O-N 3.3Å
90L87.5Confident85.4Confident57 Ų5779.7 Ų79.730%0.29839%0.39SS..EExtended strand (participates in β ladder)trans-84.5111.7175.2-165.175.4000109.4Y58 E74 I77 L97Y58-L90 HydrophobicContact CE1-CD1 4.02Å; Y58-L90 WeakPolarHBondContact OH-CD1 3.45Å; Y58-L90 WeakPolarHBondContact OH-CG 3.48Å; E74-L90 HydrophobicContact CB-CD2 4.5Å; E74-L90 HydrophobicContact CG-CD2 4.18Å; I77-L90 HydrophobicContact CB-CD1 4.41Å; I77-L90 HydrophobicContact CD1-CD1 4.02Å; I77-L90 HydrophobicContact CG2-CD1 3.89Å; L90-L97 HydrophobicContact CD1-CD1 4.25Å
91D86.4Confident84.9Confident34 Ų3484.1 Ų84.118%0.18241%0.406CS..EExtended strand (participates in β ladder)trans-99.189.4170-172.4-11.7000110.3R93 N94 Q95 L96D91-R93 VanDerWaalsContact C-N 3.26Å; D91-R93 PolarHBondContact O-N 2.87Å; D91-R93 WeakPolarHBondContact OD1-CB 3.24Å; D91-R93 PolarHBondContact OD1-N 3.46Å; D91-N94 PolarHBondContact O-N 3.05Å; D91-N94 PolarHBondContact OD1-N 2.89Å; D91-N94 WeakPolarHBondContact OD2-CB 3.09Å; D91-N94 VanDerWaalsContact OD2-CG 3.27Å; D91-N94 PolarHBondContact OD2-ND2 2.92Å; D91-Q95 WeakPolarHBondContact O-CA 3.37Å; D91-Q95 PolarHBondContact O-N 3.28Å; D91-L96 WeakPolarHBondContact CA-O 3.29Å; D91-L96 PolarHBondContact N-O 3.35Å; D91-L96 PolarHBondContact O-N 3.47Å
92Q86.2Confident84.5Confident114 Ų11485 Ų8553%0.53341%0.414SS..THydrogen-bonded Turntrans-67.3-24.8178.3-169.7165.137.200113.2E74E74-Q92 VanDerWaalsContact OE1-CD 3.25Å; E74-Q92 WeakPolarHBondContact OE1-CG 3.32Å; E74-Q92 PolarHBondContact OE1-NE2 3.19Å; E74-Q92 PolarHBondContact OE2-NE2 3.4Å
93R86.2Confident83.8Confident227 Ų22779.2 Ų79.286%0.85740%0.396SS*.THydrogen-bonded Turntrans-73.3-42.5-179.8177.3179.3163.7177.5-4.7110.8D91D91-R93 VanDerWaalsContact C-N 3.26Å; D91-R93 PolarHBondContact O-N 2.87Å; D91-R93 WeakPolarHBondContact OD1-CB 3.24Å; D91-R93 PolarHBondContact OD1-N 3.46Å
94N84Confident82.9Confident96 Ų9679.5 Ų79.551%0.51341%0.413SS..THydrogen-bonded Turntrans-93.6-5.1179.7-59.9-28.6000112.9D91 L96D91-N94 PolarHBondContact O-N 3.05Å; D91-N94 PolarHBondContact OD1-N 2.89Å; D91-N94 WeakPolarHBondContact OD2-CB 3.09Å; D91-N94 VanDerWaalsContact OD2-CG 3.27Å; D91-N94 PolarHBondContact OD2-ND2 2.92Å; N94-L96 VanDerWaalsContact C-N 3.3Å; N94-L96 HydrophobicContact CB-CD1 3.96Å; N94-L96 HydrophobicContact CB-CG 4.04Å
95Q86.8Confident82Confident107 Ų10784.4 Ų84.450%0.542%0.423SS..THydrogen-bonded Turntrans57.443.9-175.8-56.1-177.3-7.900111.9Y58 D91Y58-Q95 VanDerWaalsContact CD1-C 3.44Å; Y58-Q95 VanDerWaalsContact CD1-O 3.25Å; Y58-Q95 WeakPolarHBondContact CD1-O 3.45Å; Y58-Q95 HydrophobicContact CD2-CB 3.99Å; Y58-Q95 HydrophobicContact CD2-CG 4.49Å; Y58-Q95 HydrophobicContact CE2-CB 4.5Å; Y58-Q95 HydrophobicContact CG-CB 4.05Å; Y58-Q95 PolarHBondContact N-O 3.1Å; D91-Q95 WeakPolarHBondContact O-CA 3.37Å; D91-Q95 PolarHBondContact O-N 3.28Å
96L87.6Confident81.2Confident48 Ų4886.9 Ų86.925%0.25144%0.437SS..EExtended strand (participates in β ladder)trans-122.2142.7-179.9-60.3175.8000109.7C55 P57 Y58 D91 N94C55-L96 HydrophobicContact CB-CD1 4.4Å; P57-L96 HydrophobicContact CB-CD2 4.01Å; P57-L96 HydrophobicContact CG-CD2 4.01Å; Y58-L96 VanDerWaalsContact CE1-C 3.47Å; D91-L96 WeakPolarHBondContact CA-O 3.29Å; D91-L96 PolarHBondContact N-O 3.35Å; D91-L96 PolarHBondContact O-N 3.47Å; N94-L96 VanDerWaalsContact C-N 3.3Å; N94-L96 HydrophobicContact CB-CD1 3.96Å; N94-L96 HydrophobicContact CB-CG 4.04Å
97L85.3Confident80.5Confident5 Ų590.9 Ų90.93%0.02646%0.458CS..EExtended strand (participates in β ladder)trans-101.8112.4165.617861.4000107.9C55 I56 Y58 L61 I77 L90 V99C55-L97 WeakPolarHBondContact CA-O 2.85Å; I56-L97 PolarHBondContact N-O 3.48Å; I56-L97 PolarHBondContact O-N 2.9Å; Y58-L97 HydrophobicContact CE1-CB 4.37Å; L61-L97 HydrophobicContact CD1-CB 4.43Å; L61-L97 HydrophobicContact CD1-CD2 4.24Å; I77-L97 HydrophobicContact CD1-CD2 4.32Å; I77-L97 HydrophobicContact CG1-CD2 4.38Å; I77-L97 HydrophobicContact CG2-CD1 3.75Å; I77-L97 HydrophobicContact CG2-CD2 4.12Å; L90-L97 HydrophobicContact CD1-CD1 4.25Å; L97-V99 HydrophobicContact CD2-CG2 3.96Å; L97-V99 HydrophobicContact CG-CG2 3.82Å
98E86.3Confident79.9Confident39 Ų3994 Ų9418%0.18247%0.466CS..EExtended strand (participates in β ladder)trans-79.8116.7170.5-66.7171.6-166.900107.4G88 K89G88-E98 CarbonylContact C-O 3.34Å; G88-E98 WeakPolarHBondContact CA-O 3.39Å; K89-E98 HydrophobicContact CB-CB 4.21Å; K89-E98 PolarHBondContact N-O 2.8Å; K89-E98 PolarHBondContact O-N 3.3Å
99V82.1Confident79.4Confident25 Ų25101.6 Ų101.615%0.15249%0.491CS..EExtended strand (participates in β ladder)trans-106.6118.3178.5-178.40000109E54 I56 I86 L97 C102E54-V99 PolarHBondContact O-N 3.46Å; I56-V99 HydrophobicContact CD1-CG2 4.07Å; I56-V99 HydrophobicContact CG1-CG2 4.5Å; I86-V99 HydrophobicContact CG2-CG1 3.94Å; I86-V99 HydrophobicContact CG2-CG2 4.17Å; L97-V99 HydrophobicContact CD2-CG2 3.96Å; L97-V99 HydrophobicContact CG-CG2 3.82Å; V99-C102 HydrophobicContact CG1-CB 4.3Å
100D76.4Confident79Confident108 Ų108101.8 Ų101.858%0.57849%0.492SS*.EExtended strand (participates in β ladder)trans-92.7-36.9176.9-59.6-42.7000110.9Q53 Q87Q53-D100 PolarHBondContact NE2-OD1 3.29Å; Q87-D100 PolarHBondContact O-N 3.37Å
101F76.7Confident78.1Confident111 Ų111101.6 Ų101.649%0.48749%0.491SS..EExtended strand (participates in β ladder)trans-152.6148178.1174.6-96.4000111Q87 I103Q87-F101 HydrophobicContact CB-CB 4.15Å; Q87-F101 HydrophobicContact CG-CD1 4.32Å; Q87-F101 PolarHBondContact N-O 2.94Å; Q87-F101 PolarHBondContact O-N 3.03Å; F101-I103 HydrophobicContact CE1-CG2 4.13Å
102C78.2Confident77.8Confident71 Ų71103.9 Ų103.948%0.4850%0.503SS..EExtended strand (participates in β ladder)trans-143.7150.8171.267.60000111.3I85 I86 V99I85-C102 WeakPolarHBondContact O-CA 3.39Å; I86-C102 HydrophobicContact CG1-CB 4.48Å; V99-C102 HydrophobicContact CG1-CB 4.3Å
103I75.3Confident77.5Confident81 Ų81104.3 Ų104.342%0.41551%0.509SS..  trans-76.4131.9174.267.6175000110.3I85 F101 R105I85-I103 HydrophobicContact CB-CD1 4.06Å; I85-I103 HydrophobicContact CB-CG1 4.2Å; I85-I103 HydrophobicContact CG1-CD1 3.84Å; I85-I103 HydrophobicContact CG2-CD1 3.91Å; I85-I103 HydrophobicContact CG2-CG1 3.71Å; I85-I103 PolarHBondContact O-N 3.38Å; F101-I103 HydrophobicContact CE1-CG2 4.13Å; I103-R105 PolarHBondContact O-N 3.35Å
104G70Confident77Confident78 Ų7898 Ų9880%0.80449%0.492SS*.  trans-69.499.6174.400000110.9
105R66.3Low76.4Confident209 Ų20996.9 Ų96.979%0.78949%0.485SS*.  trans-79.8-39.3-175.9-164.6177.272.8-167.40.2113.7I103I103-R105 PolarHBondContact O-N 3.35Å
106D68.6Low76Confident120 Ų12095.7 Ų95.764%0.64249%0.485SS*.  trans-140.9120.9-170.3-68.4-69.6000111.5
107I69.3Low75.6Confident122 Ų12299.3 Ų99.363%0.62650%0.499SS*.  trans-112112.3172.5-58.2172.1000108.7I112 I115I107-I112 HydrophobicContact CG2-CG1 4.06Å; I107-I115 HydrophobicContact CG2-CD1 3.82Å
108R70.4Confident75.1Confident161 Ų161103.2 Ų103.261%0.60852%0.523SS*.  trans-82.3140175.4-54.7173.7172175.4-7.1109K110 D111R108-K110 HydrophobicContact CB-CG 3.98Å; R108-K110 PolarHBondContact O-N 3.19Å; R108-D111 WeakPolarHBondContact CB-OD2 3.5Å; R108-D111 PolarHBondContact O-N 2.9Å
109K73.4Confident74.5Confident185 Ų185105.9 Ų105.980%0.80454%0.538SS*.G310 helixtrans-54.6-31.6-177.9-68.9-176.8178.8179.80114.4D111 I112K109-D111 VanDerWaalsContact C-N 3.29Å; K109-D111 PolarHBondContact O-N 2.97Å; K109-I112 HydrophobicContact CB-CD1 4.4Å; K109-I112 HydrophobicContact CG-CD1 4.5Å
110K75.4Confident74.1Confident139 Ų139110.3 Ų110.360%0.60456%0.557SS**G310 helixtrans-67.4-27.4176.457.3174.3-177.9177.20113.6R108R108-K110 HydrophobicContact CB-CG 3.98Å; R108-K110 PolarHBondContact O-N 3.19Å
111D70.6Confident74.2Confident54 Ų54110.2 Ų110.229%0.28955%0.553SS.*G310 helixtrans-91.5-7.9-174.2-59.7-39.3000111.8R108 K109 N113 N114 I115R108-D111 WeakPolarHBondContact CB-OD2 3.5Å; R108-D111 PolarHBondContact O-N 2.9Å; K109-D111 VanDerWaalsContact C-N 3.29Å; K109-D111 PolarHBondContact O-N 2.97Å; D111-N113 PolarHBondContact O-N 3.16Å; D111-N114 WeakPolarHBondContact O-CB 3.31Å; D111-N114 PolarHBondContact O-N 3.18Å; D111-N114 VanDerWaalsContact O-N 3.13Å; D111-I115 WeakPolarHBondContact O-CG1 3.25Å; D111-I115 PolarHBondContact O-N 3.24Å
112I80Confident74.3Confident82 Ų82113.3 Ų113.342%0.42156%0.561SS.*Hα-helixtrans-58.6-45.4177.2-62.5173000111.3I107 K109 N114 I115 V116I107-I112 HydrophobicContact CG2-CG1 4.06Å; K109-I112 HydrophobicContact CB-CD1 4.4Å; K109-I112 HydrophobicContact CG-CD1 4.5Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.49Å; I112-I115 PolarHBondContact O-N 3.4Å; I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 WeakPolarHBondContact O-CG2 3.4Å; I112-V116 PolarHBondContact O-N 3.43Å
113N79.4Confident74.2Confident123 Ų123113.3 Ų113.366%0.65856%0.561SS**Hα-helixtrans-64.2-34.8179-68.2-60.3000111.8D111 K117D111-N113 PolarHBondContact O-N 3.16Å; N113-K117 VanDerWaalsContact O-CB 3.29Å; N113-K117 WeakPolarHBondContact O-CB 3.43Å; N113-K117 PolarHBondContact O-N 3.36Å
114N75.3Confident74.4Confident94 Ų94113.3 Ų113.350%0.50356%0.562SS.*Hα-helixtrans-67.1-47.9175-65.8-26.1000109.9D111 I112 V116 K117 T118D111-N114 WeakPolarHBondContact O-CB 3.31Å; D111-N114 PolarHBondContact O-N 3.18Å; D111-N114 VanDerWaalsContact O-N 3.13Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.49Å; N114-V116 VanDerWaalsContact C-N 3.32Å; N114-V116 PolarHBondContact O-N 3.08Å; N114-K117 WeakPolarHBondContact O-CB 3.39Å; N114-K117 PolarHBondContact O-N 2.91Å; N114-K117 VanDerWaalsContact O-N 3.08Å; N114-T118 PolarHBondContact O-N 3.4Å; N114-T118 PolarHBondContact O-OG1 2.91Å
115I72.4Confident74.7Confident73 Ų73111.3 Ų111.337%0.37454%0.541SS..Hα-helixtrans-56.4-47.1176.9-64.6163000110.9I107 D111 I112 K117 T118 L119I107-I115 HydrophobicContact CG2-CD1 3.82Å; D111-I115 WeakPolarHBondContact O-CG1 3.25Å; D111-I115 PolarHBondContact O-N 3.24Å; I112-I115 PolarHBondContact O-N 3.4Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 2.82Å; I115-T118 PolarHBondContact O-N 3.42Å; I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.38Å; I115-L119 WeakPolarHBondContact O-CB 3.36Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.37Å
116V76.8Confident75.1Confident81 Ų81103.9 Ų103.949%0.49152%0.521SS..Hα-helixtrans-59.9-44.7177.2171.60000110.7I112 N114 L119 H120I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 WeakPolarHBondContact O-CG2 3.4Å; I112-V116 PolarHBondContact O-N 3.43Å; N114-V116 VanDerWaalsContact C-N 3.32Å; N114-V116 PolarHBondContact O-N 3.08Å; V116-L119 PolarHBondContact O-N 2.96Å; V116-H120 WeakPolarHBondContact O-CB 2.96Å; V116-H120 PolarHBondContact O-N 3.44Å
117K80.3Confident75.4Confident124 Ų124103.7 Ų103.754%0.53952%0.516SS..Hα-helixtrans-62.3-48.8178.5-178.6178.3169.1-178.50111.7N113 N114 I115 L119 H120 E121N113-K117 VanDerWaalsContact O-CB 3.29Å; N113-K117 WeakPolarHBondContact O-CB 3.43Å; N113-K117 PolarHBondContact O-N 3.36Å; N114-K117 WeakPolarHBondContact O-CB 3.39Å; N114-K117 PolarHBondContact O-N 2.91Å; N114-K117 VanDerWaalsContact O-N 3.08Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 2.82Å; K117-L119 VanDerWaalsContact C-N 3.32Å; K117-L119 PolarHBondContact O-N 2.84Å; K117-H120 WeakPolarHBondContact O-CB 3.36Å; K117-H120 PolarHBondContact O-N 3.13Å; K117-H120 VanDerWaalsContact O-N 3.16Å; K117-E121 WeakPolarHBondContact CE-OE1 3.34Å; K117-E121 HydrophobicContact CG-CG 4.49Å; K117-E121 IonicContact NZ-OE1 3.74Å; K117-E121 WeakPolarHBondContact O-CG 3.21Å; K117-E121 PolarHBondContact O-N 3.39Å
118T73.5Confident75.7Confident87 Ų87100.8 Ų100.853%0.53451%0.511SS..Hα-helixtrans-63.5-39.2-180-34.40000111.5N114 I115 E121 W122N114-T118 PolarHBondContact O-N 3.4Å; N114-T118 PolarHBondContact O-OG1 2.91Å; I115-T118 PolarHBondContact O-N 3.42Å; T118-E121 PolarHBondContact O-N 3.16Å; T118-W122 WeakPolarHBondContact O-CB 3.44Å; T118-W122 PolarHBondContact O-N 2.94Å
119L74Confident75.9Confident95 Ų9596.6 Ų96.650%0.49750%0.503SS..Hα-helixtrans-64.8-40.3174.4-72.7172.9000111.8I115 V116 K117 W122 C123I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.38Å; I115-L119 WeakPolarHBondContact O-CB 3.36Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.37Å; V116-L119 PolarHBondContact O-N 2.96Å; K117-L119 VanDerWaalsContact C-N 3.32Å; K117-L119 PolarHBondContact O-N 2.84Å; L119-W122 PolarHBondContact O-N 2.88Å; L119-C123 PolarHBondContact O-N 3.12Å; L119-C123 PolarHBondContact O-SG 3.02Å
120H74.5Confident76.1Confident119 Ų11992.9 Ų92.955%0.55149%0.491SS*.Hα-helixtrans-64.1-47.6175.9-134.190.3000111.2V116 K117 W122 C123 D124V116-H120 WeakPolarHBondContact O-CB 2.96Å; V116-H120 PolarHBondContact O-N 3.44Å; K117-H120 WeakPolarHBondContact O-CB 3.36Å; K117-H120 PolarHBondContact O-N 3.13Å; K117-H120 VanDerWaalsContact O-N 3.16Å; H120-W122 PolarHBondContact O-N 3.35Å; H120-C123 WeakPolarHBondContact O-CB 3.43Å; H120-C123 PolarHBondContact O-N 3.5Å; H120-C123 VanDerWaalsContact O-N 3.1Å; H120-D124 IonicContact CD2-OD1 3.78Å; H120-D124 IonicContact CD2-OD2 3.72Å; H120-D124 WeakPolarHBondContact O-CB 3.47Å; H120-D124 PolarHBondContact O-N 3.33Å
121E78.2Confident76.1Confident106 Ų10690.1 Ų90.150%0.49548%0.482SS..Hα-helixtrans-59.3-36.3176.4-72.5173.5173.300111.7K117 T118 G125K117-E121 WeakPolarHBondContact CE-OE1 3.34Å; K117-E121 HydrophobicContact CG-CG 4.49Å; K117-E121 IonicContact NZ-OE1 3.74Å; K117-E121 WeakPolarHBondContact O-CG 3.21Å; K117-E121 PolarHBondContact O-N 3.39Å; T118-E121 PolarHBondContact O-N 3.16Å; E121-G125 PolarHBondContact O-N 2.98Å
122W77.6Confident76.2Confident175 Ų17589.1 Ų89.166%0.66349%0.485SS*.Hα-helixtrans-68.3-44.4174-175.456.2000112.2T118 L119 H120 G125 C126T118-W122 WeakPolarHBondContact O-CB 3.44Å; T118-W122 PolarHBondContact O-N 2.94Å; L119-W122 PolarHBondContact O-N 2.88Å; H120-W122 PolarHBondContact O-N 3.35Å; W122-G125 PolarHBondContact O-N 3.25Å; W122-C126 PolarHBondContact O-N 3.35Å; W122-C126 PolarHBondContact O-SG 2.9Å; W122-C126 VanDerWaalsContact O-SG 3.35Å
123C76.6Confident75.9Confident71 Ų7189.2 Ų89.248%0.4849%0.486SS..Hα-helixtrans-59.9-47.9174.1-71.70000111.9L119 H120 G125 C126 E127L119-C123 PolarHBondContact O-N 3.12Å; L119-C123 PolarHBondContact O-SG 3.02Å; H120-C123 WeakPolarHBondContact O-CB 3.43Å; H120-C123 PolarHBondContact O-N 3.5Å; H120-C123 VanDerWaalsContact O-N 3.1Å; C123-G125 VanDerWaalsContact C-N 3.28Å; C123-G125 PolarHBondContact O-N 3.08Å; C123-C126 WeakPolarHBondContact O-CB 3.39Å; C123-C126 PolarHBondContact O-N 3.4Å; C123-E127 PolarHBondContact O-N 3.49Å
124D79.6Confident75.6Confident82 Ų8289.2 Ų89.244%0.43948%0.482SS..Hα-helixtrans-61-40.2177.4-66.6-14.5000110.7H120 E127 A128H120-D124 IonicContact CD2-OD1 3.78Å; H120-D124 IonicContact CD2-OD2 3.72Å; H120-D124 WeakPolarHBondContact O-CB 3.47Å; H120-D124 PolarHBondContact O-N 3.33Å; D124-E127 PolarHBondContact O-N 3.4Å; D124-A128 VanDerWaalsContact O-CB 3.31Å; D124-A128 WeakPolarHBondContact O-CB 3.42Å; D124-A128 PolarHBondContact O-N 2.89Å
125G76.8Confident75.6Confident35 Ų3589.6 Ų89.636%0.36148%0.48SS..Hα-helixtrans-61.6-45.817400000112.5E121 W122 C123 A128 V129E121-G125 PolarHBondContact O-N 2.98Å; W122-G125 PolarHBondContact O-N 3.25Å; C123-G125 VanDerWaalsContact C-N 3.28Å; C123-G125 PolarHBondContact O-N 3.08Å; G125-A128 PolarHBondContact O-N 3.06Å; G125-V129 WeakPolarHBondContact O-CG2 3.31Å; G125-V129 PolarHBondContact O-N 3.22Å
126C74.5Confident75.6Confident54 Ų5489.4 Ų89.437%0.36548%0.478SS..Hα-helixtrans-62.4-43.2175-710000111.9W122 C123 V129 L130W122-C126 PolarHBondContact O-N 3.35Å; W122-C126 PolarHBondContact O-SG 2.9Å; W122-C126 VanDerWaalsContact O-SG 3.35Å; C123-C126 WeakPolarHBondContact O-CB 3.39Å; C123-C126 PolarHBondContact O-N 3.4Å; C126-V129 PolarHBondContact O-N 3.39Å; C126-L130 WeakPolarHBondContact O-CB 3.5Å; C126-L130 VanDerWaalsContact O-CG 3.31Å; C126-L130 WeakPolarHBondContact O-CG 3.29Å; C126-L130 PolarHBondContact O-N 3.01Å
127E75.6Confident75.5Confident115 Ų11589.2 Ų89.254%0.53748%0.477SS..Hα-helixtrans-63.8-43.3177.5-173.1172.1-169.100111.4C123 D124 V129 L130 L131C123-E127 PolarHBondContact O-N 3.49Å; D124-E127 PolarHBondContact O-N 3.4Å; E127-V129 PolarHBondContact O-N 3.11Å; E127-L130 PolarHBondContact O-N 3.49Å; E127-L131 HydrophobicContact CG-CD1 4Å; E127-L131 HydrophobicContact CG-CG 4.42Å; E127-L131 WeakPolarHBondContact O-CB 3.45Å; E127-L131 VanDerWaalsContact O-CG 3.31Å; E127-L131 WeakPolarHBondContact O-CG 3.38Å; E127-L131 PolarHBondContact O-N 3.05Å
128A75.5Confident75.5Confident62 Ų6288.3 Ų88.351%0.51248%0.477SS..Hα-helixtrans-61.6-41.9176.300000112.3D124 G125 G132D124-A128 VanDerWaalsContact O-CB 3.31Å; D124-A128 WeakPolarHBondContact O-CB 3.42Å; D124-A128 PolarHBondContact O-N 2.89Å; G125-A128 PolarHBondContact O-N 3.06Å; A128-G132 PolarHBondContact O-N 3.48Å
129V74.7Confident75.9Confident72 Ų7290.4 Ų90.444%0.43648%0.476SS..Hα-helixtrans-65.2-44.9175.6172.20000110.8L35 G125 C126 E127 G132 I133L35-V129 HydrophobicContact CD1-CG1 4.3Å; G125-V129 WeakPolarHBondContact O-CG2 3.31Å; G125-V129 PolarHBondContact O-N 3.22Å; C126-V129 PolarHBondContact O-N 3.39Å; E127-V129 PolarHBondContact O-N 3.11Å; V129-G132 PolarHBondContact O-N 3.31Å; V129-I133 HydrophobicContact CG1-CD1 3.97Å; V129-I133 WeakPolarHBondContact O-CG1 3.22Å; V129-I133 PolarHBondContact O-N 3.31Å
130L76.4Confident76Confident108 Ų10888.8 Ų88.857%0.56548%0.476SS*.Hα-helixtrans-60.1-47.6176.8-74.5169.9000111.5C126 E127 G132 I133 E134C126-L130 WeakPolarHBondContact O-CB 3.5Å; C126-L130 VanDerWaalsContact O-CG 3.31Å; C126-L130 WeakPolarHBondContact O-CG 3.29Å; C126-L130 PolarHBondContact O-N 3.01Å; E127-L130 PolarHBondContact O-N 3.49Å; L130-G132 VanDerWaalsContact C-N 3.29Å; L130-G132 PolarHBondContact O-N 2.94Å; L130-I133 PolarHBondContact O-N 2.9Å; L130-E134 WeakPolarHBondContact O-CG 3.4Å; L130-E134 PolarHBondContact O-N 3.06Å
131L75.5Confident76.4Confident80 Ų8086.5 Ų86.542%0.41947%0.468SS..Hα-helixtrans-61.1-38.3175.2-74.2170.1000112E127 E134 Q135E127-L131 HydrophobicContact CG-CD1 4Å; E127-L131 HydrophobicContact CG-CG 4.42Å; E127-L131 WeakPolarHBondContact O-CB 3.45Å; E127-L131 VanDerWaalsContact O-CG 3.31Å; E127-L131 WeakPolarHBondContact O-CG 3.38Å; E127-L131 PolarHBondContact O-N 3.05Å; L131-E134 PolarHBondContact O-N 3.47Å; L131-Q135 WeakPolarHBondContact O-CB 3.35Å; L131-Q135 WeakPolarHBondContact O-CG 3.39Å; L131-Q135 PolarHBondContact O-N 3.2Å
132G74.3Confident76.7Confident34 Ų3487.1 Ų87.135%0.35147%0.47SS..Hα-helixtrans-61.1-45.7174.300000112.1A128 V129 L130 Q135 Q136A128-G132 PolarHBondContact O-N 3.48Å; V129-G132 PolarHBondContact O-N 3.31Å; L130-G132 VanDerWaalsContact C-N 3.29Å; L130-G132 PolarHBondContact O-N 2.94Å; G132-Q135 PolarHBondContact O-N 3.29Å; G132-Q136 PolarHBondContact O-N 3.11Å
133I72.3Confident77Confident84 Ų8487.1 Ų87.143%0.43147%0.472SS..Hα-helixtrans-63.3-46.9176.3-66.9166000110.4V129 L130 Q135 Q136 V137V129-I133 HydrophobicContact CG1-CD1 3.97Å; V129-I133 WeakPolarHBondContact O-CG1 3.22Å; V129-I133 PolarHBondContact O-N 3.31Å; L130-I133 PolarHBondContact O-N 2.9Å; I133-Q135 VanDerWaalsContact C-N 3.32Å; I133-Q135 PolarHBondContact O-N 3.44Å; I133-Q136 PolarHBondContact O-N 3.01Å; I133-Q136 VanDerWaalsContact O-N 3.11Å; I133-V137 HydrophobicContact CG2-CG2 4.41Å; I133-V137 WeakPolarHBondContact O-CG2 3.45Å; I133-V137 PolarHBondContact O-N 2.86Å
134E72.9Confident77.4Confident122 Ų12290.3 Ų90.357%0.5748%0.477SS*.Hα-helixtrans-58-44.1177.2-75.5-175.8174.800112L130 L131 Q136 V137 L138L130-E134 WeakPolarHBondContact O-CG 3.4Å; L130-E134 PolarHBondContact O-N 3.06Å; L131-E134 PolarHBondContact O-N 3.47Å; E134-Q136 VanDerWaalsContact C-N 3.34Å; E134-Q136 PolarHBondContact O-N 3.02Å; E134-V137 PolarHBondContact O-N 3.33Å; E134-L138 WeakPolarHBondContact O-CG 3.39Å; E134-L138 PolarHBondContact O-N 3.01Å
135Q76.8Confident77.9Confident102 Ų10293 Ų9348%0.47749%0.487SS..Hα-helixtrans-62.7-40.3174.9-78.8-173.240.600112.3L131 G132 I133 L138 R139L131-Q135 WeakPolarHBondContact O-CB 3.35Å; L131-Q135 WeakPolarHBondContact O-CG 3.39Å; L131-Q135 PolarHBondContact O-N 3.2Å; G132-Q135 PolarHBondContact O-N 3.29Å; I133-Q135 VanDerWaalsContact C-N 3.32Å; I133-Q135 PolarHBondContact O-N 3.44Å; Q135-L138 PolarHBondContact O-N 3.04Å; Q135-R139 WeakPolarHBondContact O-CG 3.4Å; Q135-R139 PolarHBondContact O-N 2.91Å
136Q70.4Confident78.4Confident69 Ų6995.3 Ų95.332%0.32249%0.491SS..Hα-helixtrans-68.7-36.4177.8-74.2-61.811.400112.5E36 G132 I133 E134 L138 R139 A140E36-Q136 PolarHBondContact OE1-NE2 3.43Å; G132-Q136 PolarHBondContact O-N 3.11Å; I133-Q136 PolarHBondContact O-N 3.01Å; I133-Q136 VanDerWaalsContact O-N 3.11Å; E134-Q136 VanDerWaalsContact C-N 3.34Å; E134-Q136 PolarHBondContact O-N 3.02Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 2.92Å; Q136-R139 PolarHBondContact O-N 3.13Å; Q136-A140 VanDerWaalsContact O-CB 3.32Å; Q136-A140 WeakPolarHBondContact O-CB 3.39Å; Q136-A140 PolarHBondContact O-N 2.77Å
137V75.3Confident79.1Confident77 Ų7798.2 Ų98.247%0.46750%0.499SS..Hα-helixtrans-61.5-43.7171.11720000110.9I133 E134 A140 N141I133-V137 HydrophobicContact CG2-CG2 4.41Å; I133-V137 WeakPolarHBondContact O-CG2 3.45Å; I133-V137 PolarHBondContact O-N 2.86Å; E134-V137 PolarHBondContact O-N 3.33Å; V137-A140 PolarHBondContact O-N 3.05Å; V137-N141 WeakPolarHBondContact O-CB 3.4Å; V137-N141 PolarHBondContact O-N 2.85Å; V137-N141 PolarHBondContact O-ND2 2.92Å
138L80.9Confident79.7Confident105 Ų10596.2 Ų96.255%0.5549%0.492SS..Hα-helixtrans-61.9-46.9176.1-77.3170.2000112.1E134 Q135 Q136 A140 N141 Q142E134-L138 WeakPolarHBondContact O-CG 3.39Å; E134-L138 PolarHBondContact O-N 3.01Å; Q135-L138 PolarHBondContact O-N 3.04Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 2.92Å; L138-A140 PolarHBondContact O-N 3.23Å; L138-N141 PolarHBondContact O-N 3.14Å; L138-Q142 WeakPolarHBondContact O-CG 3.41Å; L138-Q142 PolarHBondContact O-N 3.24Å
139R80.8Confident80.6Confident132 Ų132100.2 Ų100.250%0.49849%0.494SS..Hα-helixtrans-60-45.5176.6-74.1175.5-174.9175.25.1111.5Q135 Q136 N141 Q142 Y143Q135-R139 WeakPolarHBondContact O-CG 3.4Å; Q135-R139 PolarHBondContact O-N 2.91Å; Q136-R139 PolarHBondContact O-N 3.13Å; R139-N141 VanDerWaalsContact C-N 3.33Å; R139-N141 PolarHBondContact O-N 2.84Å; R139-Q142 PolarHBondContact O-N 2.98Å; R139-Y143 WeakPolarHBondContact O-CB 3.42Å; R139-Y143 PolarHBondContact O-N 3.05Å
140A76.4Confident81.3Confident61 Ų61100.3 Ų100.350%0.50450%0.495SS..Hα-helixtrans-61.4-41.6177.500000111.9Q136 V137 L138 Y143 K144Q136-A140 VanDerWaalsContact O-CB 3.32Å; Q136-A140 WeakPolarHBondContact O-CB 3.39Å; Q136-A140 PolarHBondContact O-N 2.77Å; V137-A140 PolarHBondContact O-N 3.05Å; L138-A140 PolarHBondContact O-N 3.23Å; A140-Y143 PolarHBondContact O-N 2.87Å; A140-K144 WeakPolarHBondContact O-CB 3.48Å; A140-K144 PolarHBondContact O-N 3.38Å
141N83.9Confident82.1Confident71 Ų7199.5 Ų99.538%0.3849%0.488SS..Hα-helixtrans-66-44.4176.8-78.5-37.1000112.4V137 L138 R139 Y143 K144 E145V137-N141 WeakPolarHBondContact O-CB 3.4Å; V137-N141 PolarHBondContact O-N 2.85Å; V137-N141 PolarHBondContact O-ND2 2.92Å; L138-N141 PolarHBondContact O-N 3.14Å; R139-N141 VanDerWaalsContact C-N 3.33Å; R139-N141 PolarHBondContact O-N 2.84Å; N141-Y143 VanDerWaalsContact C-N 3.31Å; N141-Y143 PolarHBondContact O-N 3.42Å; N141-K144 PolarHBondContact O-N 3.49Å; N141-K144 PolarHBondContact OD1-NZ 3.07Å; N141-E145 WeakPolarHBondContact O-CB 3.47Å; N141-E145 PolarHBondContact O-N 3.38Å
142Q84.6Confident82.9Confident118 Ų118101.1 Ų101.155%0.55149%0.494SS*.Hα-helixtrans-60.8-41.1174.7-74.2178.1300111.9L138 R139 E145 N146L138-Q142 WeakPolarHBondContact O-CG 3.41Å; L138-Q142 PolarHBondContact O-N 3.24Å; R139-Q142 PolarHBondContact O-N 2.98Å; Q142-E145 PolarHBondContact O-N 3.37Å; Q142-N146 WeakPolarHBondContact O-CB 3.33Å; Q142-N146 PolarHBondContact O-N 2.87Å
143Y82.4Confident83.8Confident176 Ų176105 Ų10569%0.6950%0.503SS*.Hα-helixtrans-64.3-44.8177.8-159.9-91.4000111.3R139 A140 N141 E145 N146 H147R139-Y143 WeakPolarHBondContact O-CB 3.42Å; R139-Y143 PolarHBondContact O-N 3.05Å; A140-Y143 PolarHBondContact O-N 2.87Å; N141-Y143 VanDerWaalsContact C-N 3.31Å; N141-Y143 PolarHBondContact O-N 3.42Å; Y143-E145 VanDerWaalsContact C-N 3.34Å; Y143-E145 PolarHBondContact O-N 2.91Å; Y143-N146 PolarHBondContact O-N 3.41Å; Y143-H147 VanDerWaalsContact O-CB 3.27Å; Y143-H147 WeakPolarHBondContact O-CB 3.31Å; Y143-H147 PolarHBondContact O-N 2.71Å
144K86.6Confident84.8Confident138 Ų138105.1 Ų105.160%0.651%0.507SS*.Hα-helixtrans-59.6-43.4174.8-175.4-177.470.1-166.60111.7A140 N141 H147 N148A140-K144 WeakPolarHBondContact O-CB 3.48Å; A140-K144 PolarHBondContact O-N 3.38Å; N141-K144 PolarHBondContact O-N 3.49Å; N141-K144 PolarHBondContact OD1-NZ 3.07Å; K144-H147 PolarHBondContact O-N 3.25Å; K144-N148 VanDerWaalsContact O-CB 3.31Å; K144-N148 WeakPolarHBondContact O-CB 3.32Å; K144-N148 PolarHBondContact O-N 3.2Å
145E89.4Confident85.7Confident139 Ų139104.6 Ų104.665%0.6551%0.505SS*.Hα-helixtrans-66-45.8178.8-170.8173.3-166.900112N141 Q142 Y143 H147 N148 R149N141-E145 WeakPolarHBondContact O-CB 3.47Å; N141-E145 PolarHBondContact O-N 3.38Å; Q142-E145 PolarHBondContact O-N 3.37Å; Y143-E145 VanDerWaalsContact C-N 3.34Å; Y143-E145 PolarHBondContact O-N 2.91Å; E145-H147 VanDerWaalsContact C-N 3.34Å; E145-H147 PolarHBondContact O-N 3.26Å; E145-N148 PolarHBondContact O-N 3.13Å; E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 PolarHBondContact O-N 3.25Å
146N86.6Confident86.4Confident83 Ų83102.4 Ų102.444%0.44450%0.504SS..Hα-helixtrans-63-40.5175.2-79.6-22.3000112.4Q142 Y143 R149 T150Q142-N146 WeakPolarHBondContact O-CB 3.33Å; Q142-N146 PolarHBondContact O-N 2.87Å; Y143-N146 PolarHBondContact O-N 3.41Å; N146-R149 PolarHBondContact O-N 3.11Å; N146-R149 PolarHBondContact OD1-NH1 3.16Å; N146-T150 WeakPolarHBondContact O-CB 3Å; N146-T150 PolarHBondContact O-N 2.65Å; N146-T150 PolarHBondContact O-OG1 2.77Å
147H88.9Confident87.5Confident114 Ų114104.4 Ų104.453%0.52851%0.513SS..Hα-helixtrans-63.2-47.3176.1-174.973.2000110.8Y143 K144 E145 R149 T150 Q151Y143-H147 VanDerWaalsContact O-CB 3.27Å; Y143-H147 WeakPolarHBondContact O-CB 3.31Å; Y143-H147 PolarHBondContact O-N 2.71Å; K144-H147 PolarHBondContact O-N 3.25Å; E145-H147 VanDerWaalsContact C-N 3.34Å; E145-H147 PolarHBondContact O-N 3.26Å; H147-R149 PolarHBondContact O-N 3.17Å; H147-T150 PolarHBondContact O-N 3.16Å; H147-Q151 WeakPolarHBondContact O-CB 3.3Å; H147-Q151 PolarHBondContact O-N 3.17Å
148N89.3Confident88.3Confident73 Ų73104.8 Ų104.839%0.3952%0.515SS..Hα-helixtrans-62-42.9177.7-162.2-87.1000111.5K144 E145 T150 Q151 Q152K144-N148 VanDerWaalsContact O-CB 3.31Å; K144-N148 WeakPolarHBondContact O-CB 3.32Å; K144-N148 PolarHBondContact O-N 3.2Å; E145-N148 PolarHBondContact O-N 3.13Å; N148-T150 PolarHBondContact O-N 3.48Å; N148-Q151 PolarHBondContact O-N 3.31Å; N148-Q152 VanDerWaalsContact O-CG 3.3Å; N148-Q152 WeakPolarHBondContact O-CG 3.27Å; N148-Q152 PolarHBondContact O-N 2.82Å; N148-Q152 PolarHBondContact OD1-NE2 3.43Å
149R93.5Very high88.8Confident147 Ų147103.2 Ų103.256%0.55551%0.511SS*.Hα-helixtrans-60.2-45.5176-162.1-175.9100.6-129.84.8111.9E145 N146 H147 Q152 Q153E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 PolarHBondContact O-N 3.25Å; N146-R149 PolarHBondContact O-N 3.11Å; N146-R149 PolarHBondContact OD1-NH1 3.16Å; H147-R149 PolarHBondContact O-N 3.17Å; R149-Q152 PolarHBondContact O-N 3.5Å; R149-Q153 WeakPolarHBondContact O-CB 3.43Å; R149-Q153 PolarHBondContact O-N 3.45Å
150T91Very high89.4Confident74 Ų74101.3 Ų101.345%0.45451%0.51SS..Hα-helixtrans-65.5-43.1178.5-53.30000110.8N146 H147 N148 Q153 V154N146-T150 WeakPolarHBondContact O-CB 3Å; N146-T150 PolarHBondContact O-N 2.65Å; N146-T150 PolarHBondContact O-OG1 2.77Å; H147-T150 PolarHBondContact O-N 3.16Å; N148-T150 PolarHBondContact O-N 3.48Å; T150-Q153 PolarHBondContact O-N 2.99Å; T150-V154 WeakPolarHBondContact O-CG2 2.88Å; T150-V154 PolarHBondContact O-N 3.26Å
151Q91.3Very high90.1Very high90 Ų90102.9 Ų102.942%0.42151%0.509SS..Hα-helixtrans-60.3-47.3177-172.8-179.927.500111.5H147 N148 Q153 V154 E155H147-Q151 WeakPolarHBondContact O-CB 3.3Å; H147-Q151 PolarHBondContact O-N 3.17Å; N148-Q151 PolarHBondContact O-N 3.31Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 3.38Å; Q151-V154 PolarHBondContact O-N 3.44Å; Q151-E155 WeakPolarHBondContact O-CG 3.07Å; Q151-E155 PolarHBondContact O-N 3.36Å
152Q93Very high90.3Very high114 Ų114107 Ų10753%0.53352%0.524SS..Hα-helixtrans-59-40.2175.3-72.7178.518.200112N148 R149 E155 A156N148-Q152 VanDerWaalsContact O-CG 3.3Å; N148-Q152 WeakPolarHBondContact O-CG 3.27Å; N148-Q152 PolarHBondContact O-N 2.82Å; N148-Q152 PolarHBondContact OD1-NE2 3.43Å; R149-Q152 PolarHBondContact O-N 3.5Å; Q152-E155 PolarHBondContact O-N 2.81Å; Q152-A156 WeakPolarHBondContact O-CB 3.47Å; Q152-A156 PolarHBondContact O-N 3.48Å
153Q93.4Very high90.5Very high117 Ų117108.2 Ų108.255%0.54753%0.527SS..Hα-helixtrans-66.2-43179.6-152.4162.331.100111.1R149 T150 Q151 A156 E157R149-Q153 WeakPolarHBondContact O-CB 3.43Å; R149-Q153 PolarHBondContact O-N 3.45Å; T150-Q153 PolarHBondContact O-N 2.99Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 3.38Å; Q153-A156 PolarHBondContact O-N 2.96Å; Q153-E157 WeakPolarHBondContact O-CG 3.18Å; Q153-E157 PolarHBondContact O-N 3.29Å
154V92.8Very high90.7Very high86 Ų86103.6 Ų103.652%0.52152%0.518SS..Hα-helixtrans-62.5-45.2173.6173.30000111.3T150 Q151 A156 E157 V158T150-V154 WeakPolarHBondContact O-CG2 2.88Å; T150-V154 PolarHBondContact O-N 3.26Å; Q151-V154 PolarHBondContact O-N 3.44Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 2.85Å; V154-E157 PolarHBondContact O-N 3.21Å; V154-V158 HydrophobicContact CG1-CG2 4.43Å; V154-V158 VanDerWaalsContact O-CG2 3.29Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 2.84Å
155E92.2Very high90.5Very high111 Ų111102.8 Ų102.852%0.51952%0.519SS..Hα-helixtrans-62.3-38.3177.4-75.9178.5-174.500112.4Q151 Q152 T159Q151-E155 WeakPolarHBondContact O-CG 3.07Å; Q151-E155 PolarHBondContact O-N 3.36Å; Q152-E155 PolarHBondContact O-N 2.81Å; E155-T159 WeakPolarHBondContact O-CB 3.19Å; E155-T159 PolarHBondContact O-N 2.9Å; E155-T159 PolarHBondContact O-OG1 2.85Å
156A91.8Very high90.3Very high56 Ų56103.7 Ų103.746%0.46352%0.521SS..Hα-helixtrans-65.4-46.1175.400000111.7Q152 Q153 V154 T159 N160Q152-A156 WeakPolarHBondContact O-CB 3.47Å; Q152-A156 PolarHBondContact O-N 3.48Å; Q153-A156 PolarHBondContact O-N 2.96Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 2.85Å; A156-T159 WeakPolarHBondContact O-CB 3.47Å; A156-T159 PolarHBondContact O-N 2.91Å; A156-N160 WeakPolarHBondContact O-CB 3.25Å; A156-N160 PolarHBondContact O-N 3.41Å
157E93.2Very high89.9Confident110 Ų110102.5 Ų102.551%0.51452%0.523SS..Hα-helixtrans-60.7-45.4175.7-72.2-61.4146.800111.5Q153 V154 T159 N160 I161Q153-E157 WeakPolarHBondContact O-CG 3.18Å; Q153-E157 PolarHBondContact O-N 3.29Å; V154-E157 PolarHBondContact O-N 3.21Å; E157-T159 VanDerWaalsContact C-N 3.3Å; E157-T159 PolarHBondContact O-N 3.23Å; E157-N160 PolarHBondContact O-N 2.99Å; E157-N160 VanDerWaalsContact O-N 3.15Å; E157-I161 WeakPolarHBondContact O-CB 3.41Å; E157-I161 VanDerWaalsContact O-CG1 3.29Å; E157-I161 WeakPolarHBondContact O-CG1 3.4Å; E157-I161 PolarHBondContact O-N 2.68Å
158V92.4Very high89.2Confident85 Ų85101.2 Ų101.252%0.51552%0.523SS..Hα-helixtrans-58.7-44175.3169.50000110.9V154 N160 K162V154-V158 HydrophobicContact CG1-CG2 4.43Å; V154-V158 VanDerWaalsContact O-CG2 3.29Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 2.84Å; V158-N160 VanDerWaalsContact C-N 3.33Å; V158-N160 PolarHBondContact O-N 3.48Å; V158-K162 VanDerWaalsContact O-CB 3.29Å; V158-K162 WeakPolarHBondContact O-CB 3.35Å; V158-K162 PolarHBondContact O-N 2.92Å
159T91.7Very high88.4Confident73 Ų73100.6 Ų100.645%0.44853%0.528SS..Hα-helixtrans-64-40.7177.8-58.80000111.3E155 A156 E157 K162 K163E155-T159 WeakPolarHBondContact O-CB 3.19Å; E155-T159 PolarHBondContact O-N 2.9Å; E155-T159 PolarHBondContact O-OG1 2.85Å; A156-T159 WeakPolarHBondContact O-CB 3.47Å; A156-T159 PolarHBondContact O-N 2.91Å; E157-T159 VanDerWaalsContact C-N 3.3Å; E157-T159 PolarHBondContact O-N 3.23Å; T159-K162 PolarHBondContact O-N 3.3Å; T159-K163 WeakPolarHBondContact O-CG 3.4Å; T159-K163 PolarHBondContact O-N 2.91Å
160N92.4Very high86.9Confident91 Ų9196.3 Ų96.349%0.48752%0.521SS..Hα-helixtrans-68.2-46.6-179.9-152.215.8000111.3A156 E157 V158 K162 K163 T164A156-N160 WeakPolarHBondContact O-CB 3.25Å; A156-N160 PolarHBondContact O-N 3.41Å; E157-N160 PolarHBondContact O-N 2.99Å; E157-N160 VanDerWaalsContact O-N 3.15Å; V158-N160 VanDerWaalsContact C-N 3.33Å; V158-N160 PolarHBondContact O-N 3.48Å; N160-K162 VanDerWaalsContact C-N 3.31Å; N160-K162 PolarHBondContact O-N 2.86Å; N160-K163 WeakPolarHBondContact O-CB 3.26Å; N160-K163 PolarHBondContact O-N 2.91Å; N160-K163 VanDerWaalsContact O-N 3.15Å; N160-T164 PolarHBondContact O-N 3.22Å; N160-T164 PolarHBondContact O-OG1 3.32Å; N160-T164 VanDerWaalsContact O-OG1 3.1Å
161I91.4Very high85.4Confident94 Ų9495.6 Ų95.648%0.48252%0.519SS..Hα-helixtrans-57.6-44.7173.9-67.4166.2000110.7E157 K163 T164 L165E157-I161 WeakPolarHBondContact O-CB 3.41Å; E157-I161 VanDerWaalsContact O-CG1 3.29Å; E157-I161 WeakPolarHBondContact O-CG1 3.4Å; E157-I161 PolarHBondContact O-N 2.68Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 2.93Å; I161-T164 PolarHBondContact O-N 3.33Å; I161-L165 HydrophobicContact CG2-CD1 3.8Å; I161-L165 HydrophobicContact CG2-CG 4.28Å; I161-L165 WeakPolarHBondContact O-CB 3.48Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.88Å
162K88.6Confident83.9Confident159 Ų15994.2 Ų94.269%0.69152%0.519SS*.Hα-helixtrans-62.4-38.5178.3-167.6175.7-176.8177.40112.2V158 T159 N160 K166V158-K162 VanDerWaalsContact O-CB 3.29Å; V158-K162 WeakPolarHBondContact O-CB 3.35Å; V158-K162 PolarHBondContact O-N 2.92Å; T159-K162 PolarHBondContact O-N 3.3Å; N160-K162 VanDerWaalsContact C-N 3.31Å; N160-K162 PolarHBondContact O-N 2.86Å; K162-K166 WeakPolarHBondContact O-CB 3.4Å; K162-K166 PolarHBondContact O-N 3.23Å; K162-K166 VanDerWaalsContact O-N 3.15Å
163K89.9Confident82.2Confident142 Ų14291.4 Ų91.462%0.61752%0.515SS*.Hα-helixtrans-66.1-47.4173.9-74.9175.2-178.8176.70111.5T159 N160 I161 K166 A167T159-K163 WeakPolarHBondContact O-CG 3.4Å; T159-K163 PolarHBondContact O-N 2.91Å; N160-K163 WeakPolarHBondContact O-CB 3.26Å; N160-K163 PolarHBondContact O-N 2.91Å; N160-K163 VanDerWaalsContact O-N 3.15Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 2.93Å; K163-K166 PolarHBondContact O-N 3.46Å; K163-A167 PolarHBondContact O-N 3.41Å
164T86.3Confident80.4Confident80 Ų8092.3 Ų92.349%0.49152%0.519SS..Hα-helixtrans-60.7-46.6178.3-56.60000111.4N160 I161 K166 A167 T168N160-T164 PolarHBondContact O-N 3.22Å; N160-T164 PolarHBondContact O-OG1 3.32Å; N160-T164 VanDerWaalsContact O-OG1 3.1Å; I161-T164 PolarHBondContact O-N 3.33Å; T164-K166 VanDerWaalsContact C-N 3.32Å; T164-K166 PolarHBondContact O-N 3.05Å; T164-A167 PolarHBondContact O-N 3.34Å; T164-T168 PolarHBondContact O-N 3.18Å; T164-T168 PolarHBondContact O-OG1 3.06Å
165L82.3Confident78.6Confident120 Ų12093.9 Ų93.963%0.62852%0.521SS*.Hα-helixtrans-58.5-41.9175.8-75.9169.6000112.2I161 A169I161-L165 HydrophobicContact CG2-CD1 3.8Å; I161-L165 HydrophobicContact CG2-CG 4.28Å; I161-L165 WeakPolarHBondContact O-CB 3.48Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.88Å; L165-A169 VanDerWaalsContact O-CB 3.27Å; L165-A169 WeakPolarHBondContact O-CB 3.32Å; L165-A169 PolarHBondContact O-N 3.07Å
166K85.1Confident76.8Confident158 Ų15895.1 Ų95.169%0.68753%0.528SS*.Hα-helixtrans-67.1-39.4177.1-167.8177.7-178.8-176.60112K162 K163 T164 S170K162-K166 WeakPolarHBondContact O-CB 3.4Å; K162-K166 PolarHBondContact O-N 3.23Å; K162-K166 VanDerWaalsContact O-N 3.15Å; K163-K166 PolarHBondContact O-N 3.46Å; T164-K166 VanDerWaalsContact C-N 3.32Å; T164-K166 PolarHBondContact O-N 3.05Å; K166-S170 WeakPolarHBondContact O-CB 3.35Å; K166-S170 PolarHBondContact O-N 2.92Å; K166-S170 PolarHBondContact O-OG 2.9Å
167A77.8Confident74.9Confident59 Ų5999.4 Ų99.449%0.48854%0.539SS..Hα-helixtrans-65.8-46.2176.800000111.6K163 T164 A169 S170 S171K163-A167 PolarHBondContact O-N 3.41Å; T164-A167 PolarHBondContact O-N 3.34Å; A167-A169 VanDerWaalsContact C-N 3.35Å; A167-A169 PolarHBondContact O-N 3.06Å; A167-S170 PolarHBondContact O-N 3.29Å; A167-S171 PolarHBondContact O-N 3.38Å
168T73.8Confident73Confident87 Ų87100.5 Ų100.553%0.53454%0.544SS..Hα-helixtrans-63.6-39.8176.9-48.30000111.6T164 S170 S171 S172T164-T168 PolarHBondContact O-N 3.18Å; T164-T168 PolarHBondContact O-OG1 3.06Å; T168-S170 VanDerWaalsContact C-N 3.34Å; T168-S170 PolarHBondContact O-N 2.98Å; T168-S171 PolarHBondContact O-N 2.75Å; T168-S172 PolarHBondContact O-N 3.48Å; T168-S172 PolarHBondContact O-OG 3.03Å
169A72.1Confident71.1Confident59 Ų59103.1 Ų103.149%0.48855%0.551SS.*Hα-helixtrans-68.1-30.7176.400000113.4L165 A167 S172 A173L165-A169 VanDerWaalsContact O-CB 3.27Å; L165-A169 WeakPolarHBondContact O-CB 3.32Å; L165-A169 PolarHBondContact O-N 3.07Å; A167-A169 VanDerWaalsContact C-N 3.35Å; A167-A169 PolarHBondContact O-N 3.06Å; A169-S172 WeakPolarHBondContact CA-OG 3.41Å; A169-S172 PolarHBondContact O-OG 2.94Å; A169-A173 WeakPolarHBondContact O-CB 3.37Å; A169-A173 PolarHBondContact O-N 3.03Å
170S62.8Low69.1Low58 Ų58105.6 Ų105.641%0.40656%0.56SS.*Hα-helixtrans-75.3-37.6175.3-51.60000111.2K166 A167 T168 A173 Q174K166-S170 WeakPolarHBondContact O-CB 3.35Å; K166-S170 PolarHBondContact O-N 2.92Å; K166-S170 PolarHBondContact O-OG 2.9Å; A167-S170 PolarHBondContact O-N 3.29Å; T168-S170 VanDerWaalsContact C-N 3.34Å; T168-S170 PolarHBondContact O-N 2.98Å; S170-A173 PolarHBondContact O-N 2.9Å; S170-Q174 WeakPolarHBondContact O-CG 3.39Å; S170-Q174 PolarHBondContact O-N 3.14Å; S170-Q174 VanDerWaalsContact O-N 3.12Å
171S60.1Low67.2Low59 Ų59105 Ų10541%0.41357%0.568SS.*Hα-helixtrans-65.8-42.6175.1-170.20000112.3A167 T168 Q174 E175A167-S171 PolarHBondContact O-N 3.38Å; T168-S171 PolarHBondContact O-N 2.75Å; S171-Q174 PolarHBondContact O-N 3.35Å; S171-E175 PolarHBondContact O-N 2.88Å
172S59.5Low65.2Low61 Ų61108.3 Ų108.343%0.42758%0.582SS.*Hα-helixtrans-72.9-27.8177.850.80000113.2T168 A169 M176T168-S172 PolarHBondContact O-N 3.48Å; T168-S172 PolarHBondContact O-OG 3.03Å; A169-S172 WeakPolarHBondContact CA-OG 3.41Å; A169-S172 PolarHBondContact O-OG 2.94Å; S172-M176 WeakPolarHBondContact O-CB 3.25Å; S172-M176 PolarHBondContact O-N 3.49Å; S172-M176 VanDerWaalsContact O-N 3.16Å
173A57.1Low63.4Low55 Ų55111.4 Ų111.446%0.45559%0.589SS.*Hα-helixtrans-66.6-41.8169.400000111.9A169 S170 M176 E177A169-A173 WeakPolarHBondContact O-CB 3.37Å; A169-A173 PolarHBondContact O-N 3.03Å; S170-A173 PolarHBondContact O-N 2.9Å; A173-M176 PolarHBondContact O-N 3.17Å; A173-E177 PolarHBondContact O-N 3.21Å; A173-E177 VanDerWaalsContact O-N 3.15Å
174Q55.3Low61.1Low136 Ų136113.2 Ų113.264%0.63660%0.6SS**Hα-helixtrans-67.4-38.9175.8-71.7-175.9-74.900112.7S170 S171 M176 E177 Q178S170-Q174 WeakPolarHBondContact O-CG 3.39Å; S170-Q174 PolarHBondContact O-N 3.14Å; S170-Q174 VanDerWaalsContact O-N 3.12Å; S171-Q174 PolarHBondContact O-N 3.35Å; Q174-M176 VanDerWaalsContact C-N 3.35Å; Q174-M176 PolarHBondContact O-N 3.33Å; Q174-E177 PolarHBondContact O-N 2.94Å; Q174-Q178 WeakPolarHBondContact O-CB 3.35Å; Q174-Q178 PolarHBondContact O-N 3.27Å
175E54.4Low58.7Low118 Ų118115.2 Ų115.255%0.55162%0.616SS**Hα-helixtrans-65.5-34.7175.9-77.3-179.7157.200112.9S171 Q179S171-E175 PolarHBondContact O-N 2.88Å; E175-Q179 PolarHBondContact O-N 3.49Å
176M54.8Low56.8Low137 Ų137115.2 Ų115.268%0.67562%0.623SS**Hα-helixtrans-73.1-35.2177.3-162.9169.5-133.400112.2S172 A173 Q174 L180S172-M176 WeakPolarHBondContact O-CB 3.25Å; S172-M176 PolarHBondContact O-N 3.49Å; S172-M176 VanDerWaalsContact O-N 3.16Å; A173-M176 PolarHBondContact O-N 3.17Å; Q174-M176 VanDerWaalsContact C-N 3.35Å; Q174-M176 PolarHBondContact O-N 3.33Å; M176-L180 PolarHBondContact O-N 3.36Å
177E52.7Low55Low147 Ų147113.3 Ų113.369%0.68763%0.626SS**Hα-helixtrans-73.2-32.5177.2-160.7155-168.800112A173 Q174 L180 A181A173-E177 PolarHBondContact O-N 3.21Å; A173-E177 VanDerWaalsContact O-N 3.15Å; Q174-E177 PolarHBondContact O-N 2.94Å; E177-L180 PolarHBondContact O-N 3.29Å; E177-A181 PolarHBondContact O-N 3.29Å
178Q53.1Low53Low133 Ų133119.6 Ų119.662%0.62165%0.645SS**Hα-helixtrans-72.1-34.4174.9-150.3153.426.300112.6Q174 A181 E182Q174-Q178 WeakPolarHBondContact O-CB 3.35Å; Q174-Q178 PolarHBondContact O-N 3.27Å; Q178-A181 PolarHBondContact O-N 2.77Å; Q178-E182 PolarHBondContact O-N 3.3Å
179Q51.3Low51.2Low140 Ų140119.5 Ų119.565%0.65465%0.653SS**Hα-helixtrans-72.6-24.1173.2-77.91791800114.3E175E175-Q179 PolarHBondContact O-N 3.49Å
180L50.7Low49.8Very low124 Ų124125.6 Ų125.665%0.64967%0.672SS**Hα-helixtrans-77.9-34173-86.8152.7000111.8M176 E177M176-L180 PolarHBondContact O-N 3.36Å; E177-L180 PolarHBondContact O-N 3.29Å
181A52.5Low48.6Very low79 Ų79131.9 Ų131.965%0.65369%0.694SS**Hα-helixtrans-72.5-24.3177.100000114E177 Q178E177-A181 PolarHBondContact O-N 3.29Å; Q178-A181 PolarHBondContact O-N 2.77Å
182E48.8Very low47.5Very low164 Ų164140.7 Ų140.777%0.76672%0.719SS**THydrogen-bonded Turntrans-81.4-5177-85.5-175.498.400114.7Q178Q178-E182 PolarHBondContact O-N 3.3Å
183R51.6Low46.4Very low223 Ų223145.5 Ų145.584%0.84273%0.734SS**THydrogen-bonded Turntrans-94.45.5-179.3-73.7-169.490116.7-0.7115.9
184E40.9Very low45.8Very low180 Ų180148.9 Ų148.984%0.84175%0.752SS**SBendtrans-115.542.7-177.7-67-149.4121.700115.5
185C35.7Very low45.3Very low123 Ų123147.3 Ų147.383%0.83175%0.752SS**  trans-136.8136.5164.9-910000113.1
186P42.3Very low44.7Very low119 Ų119152 Ų15277%0.77377%0.77SS**  trans-82.7162.2-170.930.7-26.8000112.9
187P46.8Very low43.9Very low118 Ų118154.5 Ų154.577%0.76678%0.777SS**  trans-85.3139.5-166.933.9-31.8000111.7
188H36.5Very low43.5Very low192 Ų192155.3 Ų155.389%0.88978%0.783SS**  trans-155.3132.6153.3-116.2-79000114.4
189A36.7Very low43Very low84 Ų84155.3 Ų155.369%0.69480%0.798SS**  trans74.2107.9148.400000121.7
190E42.4Very low42.5Very low187 Ų187157.4 Ų157.487%0.87481%0.805SS**  trans6.9127.7141.2-74167.379.100120.2
191Q37.7Very low42Very low190 Ų190157.1 Ų157.189%0.88881%0.808SS**  -167.8122.7116.7-109.4161.8100115.1
192R35.8Very low41.7Very low245 Ų245162.6 Ų162.693%0.92582%0.817SS**  trans30.8133.8147.3-75.6-178.3172.4179.3-2122.8
193Q37.5Very low41.4Very low161 Ų161158 Ų15875%0.75281%0.814SS**  trans-61.7169.4163.5-51.9178.9-8.100113.4
194P44.7Very low41.2Very low126 Ų126155.6 Ų155.682%0.81882%0.817SS**  -137.4148.382.930-11.1000115.8
195T43.4Very low41.3Very low104 Ų104153.3 Ų153.364%0.63882%0.815SS**  trans-47151.3169.656.80000116
196K41.8Very low41.6Very low216 Ų216152.1 Ų152.194%0.93981%0.808SS**  trans-156.9146.8134.9-105.3167.7-167.4-178.20111.8
197K39.4Very low41.8Very low189 Ų189152.2 Ų152.282%0.82281%0.811SS**  trans-82.8154.1-154.1-69.3172.9171.4175.50115.3
198M43Very low41.9Very low165 Ų165156.8 Ų156.881%0.81381%0.813SS**  trans34.3132.2134.7-58.9171.573.400119.6
199S43.3Very low42.3Very low132 Ų132160.2 Ų160.292%0.92383%0.829SS**  -162.4155120.5-86.70000113
200K40.6Very low42.6Very low184 Ų184164 Ų16480%0.884%0.836SS**  trans-103.8142.9-153.4-171.3174.5177.1175.70109.8
201V41.1Very low42.6Very low119 Ų119162.8 Ų162.872%0.72183%0.834SS**  trans53.6127.7141.3175.20000119.1
202K46.4Very low42.9Very low193 Ų193161.3 Ų161.384%0.83983%0.831SS**  -170.2124.9113.6-104.8177.1-178.6177.80111
203G42.1Very low43.3Very low68 Ų68156.4 Ų156.470%0.70183%0.825SS**  trans-71.3161.1160.700000110.9
204L46.5Very low43.7Very low173 Ų173156.1 Ų156.191%0.90683%0.83SS**  trans-149130.1157-110.7137.4000109.3
205V44.2Very low43.6Very low131 Ų131158.1 Ų158.179%0.79483%0.83SS**  trans-93.1145.7-177.1157.50000108.7
206S40.3Very low43.6Very low98 Ų98161.9 Ų161.969%0.68584%0.844SS**  trans58.9126.8148.1-164.20000120.9
207S46.8Very low43.7Very low121 Ų121157.8 Ų157.885%0.84684%0.837SS**  -152.8127.3122.2-97.10000112.4
208R49.2Very low44.1Very low215 Ų215155.2 Ų155.281%0.81184%0.838SS**  trans-49.9149.3153.2-71.7170161.9-176.5-7.1110.3
209H45.8Very low44.2Very low263 Ų263154.3 Ų154.3100%1.21884%0.84SS**  -161.7095.5-87.478.2000108.1

Retrieved 209 of 209 residues in 117.6 ms (Link to these results)