A0A087XDY1_POEFO Loading...

BMP and activin membrane-bound inhibitor homolog

Negatively regulates TGF-beta signaling.

AlphaFold DB , UniProt , Accession A0A087XDY1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.3Low69.2Low208 Ų208132.7 Ų132.7100%1.02565%0.646SS**  0-36.70-74169173.700112.2R3 Q4 S5M1-R3 PolarHBondContact O-N 3.42Å; M1-Q4 PolarHBondContact O-N 2.72Å; M1-S5 PolarHBondContact O-N 2.8Å
2E54.1Low70.5Confident169 Ų169130.9 Ų130.979%0.7964%0.641SS**Hα-helixtrans-59.1-40.5-179.5-60.5-149.8140.100115.4Q4 S5 S6E2-Q4 VanDerWaalsContact C-N 3.31Å; E2-Q4 PolarHBondContact O-N 3.45Å; E2-S5 WeakPolarHBondContact O-CB 3.04Å; E2-S5 PolarHBondContact O-N 3.27Å; E2-S5 VanDerWaalsContact O-N 3.16Å; E2-S6 PolarHBondContact O-N 2.92Å; E2-S6 VanDerWaalsContact O-N 3.09Å; E2-S6 PolarHBondContact O-OG 3.46Å
3R57.6Low71.5Confident202 Ų202129.6 Ų129.676%0.76263%0.633SS**Hα-helixtrans-64.9-31.9-178.7-168.3175.6-70.3-173.6-1.7113.5M1 F7M1-R3 PolarHBondContact O-N 3.42Å; R3-F7 HydrophobicContact CG-CD2 4.35Å; R3-F7 HydrophobicContact CG-CE2 3.75Å; R3-F7 WeakPolarHBondContact O-CD2 3.23Å; R3-F7 PolarHBondContact O-N 3.41Å
4Q59.5Low72.5Confident142 Ų142128.6 Ų128.666%0.66463%0.631SS**Hα-helixtrans-74.5-34.6175.8-77.9176.3-36.800111.6M1 E2 F7 I8M1-Q4 PolarHBondContact O-N 2.72Å; E2-Q4 VanDerWaalsContact C-N 3.31Å; E2-Q4 PolarHBondContact O-N 3.45Å; Q4-F7 PolarHBondContact O-N 3.38Å; Q4-I8 WeakPolarHBondContact O-CG1 3.47Å; Q4-I8 PolarHBondContact O-N 3.2Å
5S62Low73.4Confident79 Ų79126.4 Ų126.455%0.55262%0.618SS**Hα-helixtrans-64.7-39.1174.7-176.30000111.9M1 E2 F7 I8 S9M1-S5 PolarHBondContact O-N 2.8Å; E2-S5 WeakPolarHBondContact O-CB 3.04Å; E2-S5 PolarHBondContact O-N 3.27Å; E2-S5 VanDerWaalsContact O-N 3.16Å; S5-F7 PolarHBondContact O-N 3.44Å; S5-I8 PolarHBondContact O-N 3.02Å; S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.12Å
6S70.4Confident74Confident66 Ų66124.8 Ų124.846%0.46261%0.612SS.*Hα-helixtrans-63.1-39.6174.9-58.30000113.5E2 S9 I10E2-S6 PolarHBondContact O-N 2.92Å; E2-S6 VanDerWaalsContact O-N 3.09Å; E2-S6 PolarHBondContact O-OG 3.46Å; S6-S9 PolarHBondContact O-N 3.21Å; S6-I10 WeakPolarHBondContact O-CD1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.45Å; S6-I10 PolarHBondContact O-N 3.39Å
7F76.6Confident74.4Confident128 Ų128121.1 Ų121.156%0.56160%0.601SS**Hα-helixtrans-68.8-39.2178.2-72.5-60.9000112.6R3 Q4 S5 S9 I10 W11R3-F7 HydrophobicContact CG-CD2 4.35Å; R3-F7 HydrophobicContact CG-CE2 3.75Å; R3-F7 WeakPolarHBondContact O-CD2 3.23Å; R3-F7 PolarHBondContact O-N 3.41Å; Q4-F7 PolarHBondContact O-N 3.38Å; S5-F7 PolarHBondContact O-N 3.44Å; F7-S9 VanDerWaalsContact C-N 3.33Å; F7-I10 PolarHBondContact O-N 3.32Å; F7-W11 WeakPolarHBondContact O-CB 3.32Å; F7-W11 PolarHBondContact O-N 3.14Å
8I82Confident74.8Confident120 Ų120116.9 Ų116.962%0.61559%0.589SS**Hα-helixtrans-65-41175.5-65.2164.9000110.2Q4 S5 W11 L12Q4-I8 WeakPolarHBondContact O-CG1 3.47Å; Q4-I8 PolarHBondContact O-N 3.2Å; S5-I8 PolarHBondContact O-N 3.02Å; I8-W11 PolarHBondContact O-N 3.08Å; I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 PolarHBondContact O-N 2.98Å
9S78.6Confident75Confident71 Ų71115.9 Ų115.950%0.49758%0.583SS.*Hα-helixtrans-64.1-42.9176.21750000112.5S5 S6 F7 W11 L12 Q13S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.12Å; S6-S9 PolarHBondContact O-N 3.21Å; F7-S9 VanDerWaalsContact C-N 3.33Å; S9-W11 VanDerWaalsContact C-N 3.35Å; S9-L12 PolarHBondContact O-N 3.11Å; S9-Q13 VanDerWaalsContact O-CB 3.29Å; S9-Q13 WeakPolarHBondContact O-CB 3.43Å; S9-Q13 PolarHBondContact O-N 2.9Å
10I84.6Confident75.1Confident106 Ų106112.8 Ų112.854%0.54458%0.576SS.*Hα-helixtrans-64.7-41176.5-68.1162000111S6 F7 Q13 L14S6-I10 WeakPolarHBondContact O-CD1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.45Å; S6-I10 PolarHBondContact O-N 3.39Å; F7-I10 PolarHBondContact O-N 3.32Å; I10-Q13 PolarHBondContact O-N 3.14Å; I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 PolarHBondContact O-N 3.36Å
11W84.9Confident75.1Confident169 Ų169112.4 Ų112.464%0.6458%0.579SS**Hα-helixtrans-62.3-47.6175.4-112.489.8000111.9F7 I8 S9 Q13 L14 E15F7-W11 WeakPolarHBondContact O-CB 3.32Å; F7-W11 PolarHBondContact O-N 3.14Å; I8-W11 PolarHBondContact O-N 3.08Å; S9-W11 VanDerWaalsContact C-N 3.35Å; W11-Q13 VanDerWaalsContact C-N 3.29Å; W11-Q13 PolarHBondContact O-N 3.22Å; W11-L14 PolarHBondContact O-N 3Å; W11-E15 HydrophobicContact CE3-CG 4.04Å; W11-E15 HydrophobicContact CZ3-CG 4.29Å; W11-E15 VanDerWaalsContact CZ3-OE1 3.28Å; W11-E15 WeakPolarHBondContact CZ3-OE1 3.26Å; W11-E15 WeakPolarHBondContact O-CG 3.42Å; W11-E15 PolarHBondContact O-N 2.81Å
12L84.9Confident76Confident111 Ų111109 Ų10958%0.58156%0.564SS**Hα-helixtrans-61.6-40.1176.9-161.494.1000111.5I8 S9 E15 L16I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 PolarHBondContact O-N 2.98Å; S9-L12 PolarHBondContact O-N 3.11Å; L12-E15 PolarHBondContact O-N 2.94Å; L12-L16 HydrophobicContact CD2-CD1 3.99Å; L12-L16 HydrophobicContact CG-CD1 4.13Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CD1 3.38Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 3.34Å
13Q83.8Confident76.5Confident114 Ų114107.2 Ų107.253%0.53356%0.559SS.*Hα-helixtrans-64.4-41.3176.9-167.873.12.700111.3S9 I10 W11 L16 C17S9-Q13 VanDerWaalsContact O-CB 3.29Å; S9-Q13 WeakPolarHBondContact O-CB 3.43Å; S9-Q13 PolarHBondContact O-N 2.9Å; I10-Q13 PolarHBondContact O-N 3.14Å; W11-Q13 VanDerWaalsContact C-N 3.29Å; W11-Q13 PolarHBondContact O-N 3.22Å; Q13-L16 PolarHBondContact O-N 2.88Å; Q13-C17 WeakPolarHBondContact O-CB 3.37Å; Q13-C17 PolarHBondContact O-N 3.47Å; Q13-C17 PolarHBondContact O-SG 3.01Å
14L85.8Confident76.8Confident115 Ų115102.1 Ų102.160%0.60255%0.551SS**Hα-helixtrans-65.9-42.3177.5-172.267.5000111.5I10 W11 C17 A18I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 PolarHBondContact O-N 3.36Å; W11-L14 PolarHBondContact O-N 3Å; L14-C17 PolarHBondContact O-N 3.45Å; L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.93Å
15E85.3Confident76.9Confident96 Ų96103.2 Ų103.245%0.44955%0.553SS.*Hα-helixtrans-62.8-44.8173.9-73.3-66.3158.200111.7W11 L12 C17 A18 M19W11-E15 HydrophobicContact CE3-CG 4.04Å; W11-E15 HydrophobicContact CZ3-CG 4.29Å; W11-E15 VanDerWaalsContact CZ3-OE1 3.28Å; W11-E15 WeakPolarHBondContact CZ3-OE1 3.26Å; W11-E15 WeakPolarHBondContact O-CG 3.42Å; W11-E15 PolarHBondContact O-N 2.81Å; L12-E15 PolarHBondContact O-N 2.94Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 2.83Å; E15-A18 PolarHBondContact O-N 2.98Å; E15-M19 WeakPolarHBondContact O-CB 3.29Å; E15-M19 WeakPolarHBondContact O-CG 3.49Å; E15-M19 PolarHBondContact O-N 2.87Å
16L83.3Confident77Confident100 Ų100102 Ų10252%0.52455%0.553SS.*Hα-helixtrans-61.6-41.4174.3-85.1157.3000111.9L12 Q13 A20L12-L16 HydrophobicContact CD2-CD1 3.99Å; L12-L16 HydrophobicContact CG-CD1 4.13Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CD1 3.38Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 3.34Å; Q13-L16 PolarHBondContact O-N 2.88Å; L16-A20 VanDerWaalsContact O-CB 3.22Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.32Å
17C81Confident77.2Confident63 Ų63102.3 Ų102.343%0.42655%0.547SS..Hα-helixtrans-65.9-41.7175.2-75.20000111.8Q13 L14 E15 A20 V21Q13-C17 WeakPolarHBondContact O-CB 3.37Å; Q13-C17 PolarHBondContact O-N 3.47Å; Q13-C17 PolarHBondContact O-SG 3.01Å; L14-C17 PolarHBondContact O-N 3.45Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 2.83Å; C17-A20 PolarHBondContact O-N 3.45Å; C17-V21 VanDerWaalsContact O-CG2 3.3Å; C17-V21 WeakPolarHBondContact O-CG2 3.48Å; C17-V21 PolarHBondContact O-N 3.25Å
18A81.7Confident77.5Confident45 Ų4596.9 Ų96.937%0.37252%0.524SS..Hα-helixtrans-62.8-47.1176.500000111L14 E15 A20 V21 L22L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.93Å; E15-A18 PolarHBondContact O-N 2.98Å; A18-A20 VanDerWaalsContact C-N 3.34Å; A18-A20 PolarHBondContact O-N 3.38Å; A18-V21 PolarHBondContact O-N 3.47Å; A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 VanDerWaalsContact O-CG 3.22Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 3Å
19M77.7Confident77.8Confident99 Ų9996.4 Ų96.449%0.48852%0.515SS..Hα-helixtrans-63.9-38.2175.4-68.8-57.2-64.400112E15 L22 L23E15-M19 WeakPolarHBondContact O-CB 3.29Å; E15-M19 WeakPolarHBondContact O-CG 3.49Å; E15-M19 PolarHBondContact O-N 2.87Å; M19-L22 PolarHBondContact O-N 2.85Å; M19-L22 HydrophobicContact SD-CD1 4.21Å; M19-L23 WeakPolarHBondContact O-CB 3.4Å; M19-L23 WeakPolarHBondContact O-CD1 3.31Å; M19-L23 WeakPolarHBondContact O-CG 3.11Å; M19-L23 PolarHBondContact O-N 2.83Å
20A78.3Confident78.3Confident53 Ų5393 Ų9344%0.43849%0.491SS..Hα-helixtrans-62.3-43.817500000111.8L16 C17 A18 L23 T24L16-A20 VanDerWaalsContact O-CB 3.22Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.32Å; C17-A20 PolarHBondContact O-N 3.45Å; A18-A20 VanDerWaalsContact C-N 3.34Å; A18-A20 PolarHBondContact O-N 3.38Å; A20-L23 CarbonylContact O-C 3.58Å; A20-L23 PolarHBondContact O-N 3.12Å; A20-T24 WeakPolarHBondContact O-CG2 3.22Å; A20-T24 PolarHBondContact O-N 2.79Å
21V75.3Confident78.5Confident104 Ų10491.4 Ų91.463%0.6348%0.478SS*.Hα-helixtrans-67.4-34.9176.2172.60000111.9C17 A18 L23 T24C17-V21 VanDerWaalsContact O-CG2 3.3Å; C17-V21 WeakPolarHBondContact O-CG2 3.48Å; C17-V21 PolarHBondContact O-N 3.25Å; A18-V21 PolarHBondContact O-N 3.47Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-T24 PolarHBondContact O-OG1 3.37Å
22L69.1Low78.8Confident136 Ų13683.4 Ų83.471%0.71245%0.448SS*.Hα-helixtrans-71.8-28.1173.9-68.3170.7000112.5A18 M19A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 VanDerWaalsContact O-CG 3.22Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 3Å; M19-L22 PolarHBondContact O-N 2.85Å; M19-L22 HydrophobicContact SD-CD1 4.21Å
23L64.4Low78.9Confident132 Ų13280.9 Ų80.969%0.69144%0.435SS*.Hα-helixtrans-89-13.8177.8-71.9166.4000113.4M19 A20 V21 K25M19-L23 WeakPolarHBondContact O-CB 3.4Å; M19-L23 WeakPolarHBondContact O-CD1 3.31Å; M19-L23 WeakPolarHBondContact O-CG 3.11Å; M19-L23 PolarHBondContact O-N 2.83Å; A20-L23 CarbonylContact O-C 3.58Å; A20-L23 PolarHBondContact O-N 3.12Å; V21-L23 VanDerWaalsContact C-N 3.32Å; L23-K25 PolarHBondContact O-N 2.95Å
24T62.8Low79.1Confident96 Ų9676.6 Ų76.659%0.58942%0.419SS*.  trans-68.588167.154.60000108.3A20 V21 G26A20-T24 WeakPolarHBondContact O-CG2 3.22Å; A20-T24 PolarHBondContact O-N 2.79Å; V21-T24 PolarHBondContact O-OG1 3.37Å; T24-G26 PolarHBondContact O-N 2.97Å
25K62.6Low79.1Confident165 Ų16576.5 Ų76.572%0.71743%0.426SS*.  trans-58.1109.5167.3-169178.9175.278.70106.4L23L23-K25 PolarHBondContact O-N 2.95Å
26G63.3Low79.1Confident53 Ų5378.6 Ų78.655%0.54644%0.435SS..PPolyproline II helixtrans-58.1145.9179.300000110.9T24 I28T24-G26 PolarHBondContact O-N 2.97Å; G26-I28 PolarHBondContact O-N 3.29Å
27E76Confident79.4Confident73 Ų7374 Ų7434%0.34141%0.411SS..PPolyproline II helixtrans-62.3123.1167.2178.4-172129.500109.3R29 K45E27-R29 IonicContact OE1-CZ 2.72Å; E27-R29 IonicContact OE1-NH2 2.8Å; E27-R29 PolarHBondContact OE1-NH2 2.97Å; E27-K45 HydrophobicContact CG-CD 4.06Å; E27-K45 HydrophobicContact CG-CG 3.84Å; E27-K45 WeakPolarHBondContact OE1-CD 3.26Å; E27-K45 WeakPolarHBondContact OE1-CE 3.31Å; E27-K45 WeakPolarHBondContact OE1-CG 3.48Å; E27-K45 IonicContact OE1-NZ 3.23Å; E27-K45 PolarHBondContact OE1-NZ 3.47Å; E27-K45 VanDerWaalsContact OE2-CE 3.25Å; E27-K45 WeakPolarHBondContact OE2-CE 3.36Å; E27-K45 IonicContact OE2-NZ 3.84Å; E27-K45 PolarHBondContact OE2-NZ 2.96Å
28I81.7Confident79.8Confident14 Ų1474.6 Ų74.67%0.07241%0.413CS..PPolyproline II helixtrans-79.7126.2-178.7-61.4-170.6000110G26 S46 N49 H100G26-I28 PolarHBondContact O-N 3.29Å; I28-S46 PolarHBondContact O-N 3.39Å; I28-N49 HydrophobicContact CD1-CB 3.76Å; I28-N49 HydrophobicContact CG1-CB 4.25Å; I28-H100 WeakPolarHBondContact CD1-O 3.18Å
29R87.8Confident80.1Confident110 Ų11077.3 Ų77.342%0.41544%0.435SS..EExtended strand (participates in β ladder)trans-104.7136.1170.4-62.4-173.8174.280.413.7109.5E27 M43 C44 D102 M103E27-R29 IonicContact OE1-CZ 2.72Å; E27-R29 IonicContact OE1-NH2 2.8Å; E27-R29 PolarHBondContact OE1-NH2 2.97Å; R29-M43 HydrophobicContact CB-CE 4.16Å; R29-C44 WeakPolarHBondContact CA-O 3.09Å; R29-D102 PolarHBondContact N-OD1 3.27Å; R29-M103 WeakPolarHBondContact O-CA 3.39Å; R29-M103 PolarHBondContact O-N 2.86Å
30C89.1Confident80.5Confident0 Ų076.5 Ų76.50%044%0.436CS..EExtended strand (participates in β ladder)trans-114.2156.5177.6-50.80000110.4M43 C44 C51 C69C30-M43 WeakPolarHBondContact O-CA 3.22Å; C30-C44 PolarHBondContact N-O 2.91Å; C30-C44 PolarHBondContact O-N 2.88Å; C30-C51 VanDerWaalsContact CA-SG 3.59Å; C30-C51 HydrophobicContact CB-CB 3.58Å; C30-C51 WeakPolarHBondContact CB-SG 3.29Å; C30-C51 WeakPolarHBondContact SG-CA 3.27Å; C30-C51 WeakPolarHBondContact SG-CB 3.32Å; C30-C51 CovalentContact SG-SG 2.02Å; C30-C51 PolarHBondContact SG-SG 3.46Å; C30-C69 VanDerWaalsContact CB-SG 3.51Å; C30-C69 VanDerWaalsContact SG-SG 3.69Å
31Y90.4Very high81Confident71 Ų7176.3 Ų76.328%0.27844%0.439SS..EExtended strand (participates in β ladder)trans-72.3140.5167.2-178.2-107.6000110.2Y42 H67 G68 N105 Y106Y31-Y42 WeakPolarHBondContact CA-O 3.42Å; Y31-Y42 WeakPolarHBondContact CD2-O 3.32Å; Y31-Y42 HydrophobicContact CE2-CG 4.4Å; Y31-H67 HydrophobicContact CD1-CB 3.74Å; Y31-H67 AromaticContact CD1-CG 3.85Å; Y31-H67 HydrophobicContact CE1-CB 4.32Å; Y31-H67 CarbonylContact O-C 3.54Å; Y31-G68 WeakPolarHBondContact O-CA 3.32Å; Y31-G68 PolarHBondContact O-N 2.78Å; Y31-N105 WeakPolarHBondContact CB-OD1 3.41Å; Y31-N105 PolarHBondContact N-OD1 3.11Å; Y31-N105 PolarHBondContact O-ND2 2.81Å; Y31-Y106 HydrophobicContact CD1-CD2 4.38Å; Y31-Y106 AromaticContact CD2-CD2 3.74Å; Y31-Y106 HydrophobicContact CD2-CD2 3.74Å; Y31-Y106 HydrophobicContact CD2-CE2 4.24Å; Y31-Y106 HydrophobicContact CE2-CD2 4.12Å; Y31-Y106 HydrophobicContact CE2-CE2 4.21Å; Y31-Y106 AromaticContact CG-CD2 3.88Å; Y31-Y106 HydrophobicContact CG-CD2 3.88Å
32C90Very high81.6Confident2 Ų276.5 Ų76.51%0.01443%0.429CS..  trans-143.3122.1-176.1173.50000110.8C37 Y42 C44 H67C32-C37 HydrophobicContact CB-CB 3.54Å; C32-C37 WeakPolarHBondContact CB-SG 3.34Å; C32-C37 WeakPolarHBondContact SG-CB 3.39Å; C32-C37 CovalentContact SG-SG 2.03Å; C32-C37 PolarHBondContact SG-SG 2.89Å; C32-Y42 PolarHBondContact N-O 2.88Å; C32-Y42 CarbonylContact O-C 3.59Å; C32-Y42 VanDerWaalsContact O-CA 3.29Å; C32-Y42 WeakPolarHBondContact O-CA 3.3Å; C32-Y42 VanDerWaalsContact O-CB 3.31Å; C32-Y42 WeakPolarHBondContact O-CB 3.22Å; C32-Y42 VanDerWaalsContact O-CD1 3.32Å; C32-Y42 WeakPolarHBondContact O-CD1 3.41Å; C32-C44 HydrophobicContact CB-CB 3.98Å; C32-H67 WeakPolarHBondContact CA-O 3.22Å
33D88.6Confident82.6Confident57 Ų5773.4 Ų73.431%0.30541%0.412SS..  trans-92.3-4.7-179.766-39000113.5T66 H67D33-T66 WeakPolarHBondContact OD1-CG2 3.14Å; D33-T66 WeakPolarHBondContact OD2-CA 2.89Å; D33-H67 PolarHBondContact N-O 3.3Å; D33-H67 PolarHBondContact OD1-N 2.87Å
34A86.1Confident83.7Confident24 Ų2468 Ų6820%0.19839%0.386CS..SBendtrans-69.5150.2-178.400000112.7H36 C37A34-H36 WeakPolarHBondContact CB-CE1 3.33Å; A34-H36 VanDerWaalsContact CB-ND1 3.35Å; A34-H36 WeakPolarHBondContact CB-ND1 3.26Å; A34-H36 PolarHBondContact O-N 2.83Å; A34-H36 VanDerWaalsContact O-N 3.11Å; A34-C37 WeakPolarHBondContact O-CB 3.44Å; A34-C37 PolarHBondContact O-N 3.44Å
35P86.6Confident84.9Confident114 Ų11468.5 Ų68.574%0.7438%0.379SS*.G310 helixtrans-61.6-27.5-17523.4-34.5000113.6C37 V38P35-C37 PolarHBondContact O-N 3.19Å; P35-V38 WeakPolarHBondContact O-CG2 3.34Å; P35-V38 PolarHBondContact O-N 2.84Å
36H85.3Confident85.7Confident140 Ų14060.7 Ų60.765%0.64835%0.345SS*.G310 helixtrans-69.1-21.7176.465.7-94.1000113A34A34-H36 WeakPolarHBondContact CB-CE1 3.33Å; A34-H36 VanDerWaalsContact CB-ND1 3.35Å; A34-H36 WeakPolarHBondContact CB-ND1 3.26Å; A34-H36 PolarHBondContact O-N 2.83Å; A34-H36 VanDerWaalsContact O-N 3.11Å
37C88.6Confident86.5Confident2 Ų264.3 Ų64.31%0.01435%0.348CS..G310 helixtrans-86.3-5.2179.1-63.90000113.3C32 A34 P35 A39 T40 G41 Y42C32-C37 HydrophobicContact CB-CB 3.54Å; C32-C37 WeakPolarHBondContact CB-SG 3.34Å; C32-C37 WeakPolarHBondContact SG-CB 3.39Å; C32-C37 CovalentContact SG-SG 2.03Å; C32-C37 PolarHBondContact SG-SG 2.89Å; A34-C37 WeakPolarHBondContact O-CB 3.44Å; A34-C37 PolarHBondContact O-N 3.44Å; P35-C37 PolarHBondContact O-N 3.19Å; C37-A39 PolarHBondContact O-N 3.38Å; C37-T40 WeakPolarHBondContact CA-OG1 3.28Å; C37-T40 CarbonylContact O-C 3.54Å; C37-T40 PolarHBondContact O-N 2.92Å; C37-T40 PolarHBondContact O-OG1 3.29Å; C37-G41 PolarHBondContact O-N 2.82Å; C37-Y42 WeakPolarHBondContact O-CA 3.31Å; C37-Y42 PolarHBondContact O-N 3.31Å
38V89.6Confident86.4Confident76 Ų7664.1 Ų64.146%0.46135%0.349SS..G310 helixtrans-65.1-41.1-179.8176.90000111.2P35 T40 G41 Y42P35-V38 WeakPolarHBondContact O-CG2 3.34Å; P35-V38 PolarHBondContact O-N 2.84Å; V38-T40 PolarHBondContact O-N 3.34Å; V38-G41 PolarHBondContact O-N 3.26Å; V38-G41 VanDerWaalsContact O-N 3.14Å; V38-Y42 HydrophobicContact CG2-CE1 4.03Å
39A88.9Confident86.3Confident102 Ų10265.9 Ų65.984%0.84336%0.359SS*.G310 helixtrans-65.4-21.6178.700000113.2C37C37-A39 PolarHBondContact O-N 3.38Å
40T85.9Confident86.1Confident82 Ų8260.8 Ų60.850%0.50334%0.34SS..G310 helixtrans-102.38.2179.155.50000112.8C37 V38 M43C37-T40 WeakPolarHBondContact CA-OG1 3.28Å; C37-T40 CarbonylContact O-C 3.54Å; C37-T40 PolarHBondContact O-N 2.92Å; C37-T40 PolarHBondContact O-OG1 3.29Å; V38-T40 PolarHBondContact O-N 3.34Å; T40-M43 WeakPolarHBondContact CB-O 3.46Å; T40-M43 PolarHBondContact OG1-O 3.44Å
41G87.9Confident86Confident49 Ų4960.8 Ų60.851%0.50534%0.34SS..THydrogen-bonded Turntrans77.136.2178.400000114.5C37 V38 M43C37-G41 PolarHBondContact O-N 2.82Å; V38-G41 PolarHBondContact O-N 3.26Å; V38-G41 VanDerWaalsContact O-N 3.14Å; G41-M43 PolarHBondContact O-N 2.89Å
42Y89.1Confident85.8Confident108 Ų10859.3 Ų59.342%0.42434%0.335SS..SBendtrans62.729.7-175.6-59.2-85.8000113.5Y31 C32 C37 V38Y31-Y42 WeakPolarHBondContact CA-O 3.42Å; Y31-Y42 WeakPolarHBondContact CD2-O 3.32Å; Y31-Y42 HydrophobicContact CE2-CG 4.4Å; C32-Y42 PolarHBondContact N-O 2.88Å; C32-Y42 CarbonylContact O-C 3.59Å; C32-Y42 VanDerWaalsContact O-CA 3.29Å; C32-Y42 WeakPolarHBondContact O-CA 3.3Å; C32-Y42 VanDerWaalsContact O-CB 3.31Å; C32-Y42 WeakPolarHBondContact O-CB 3.22Å; C32-Y42 VanDerWaalsContact O-CD1 3.32Å; C32-Y42 WeakPolarHBondContact O-CD1 3.41Å; C37-Y42 WeakPolarHBondContact O-CA 3.31Å; C37-Y42 PolarHBondContact O-N 3.31Å; V38-Y42 HydrophobicContact CG2-CE1 4.03Å
43M90.1Very high85.5Confident72 Ų7259.6 Ų59.636%0.35534%0.337SS..EExtended strand (participates in β ladder)trans-120.6137.2179.1-58.2177.978.100109.9R29 C30 T40 G41 M103R29-M43 HydrophobicContact CB-CE 4.16Å; C30-M43 WeakPolarHBondContact O-CA 3.22Å; T40-M43 WeakPolarHBondContact CB-O 3.46Å; T40-M43 PolarHBondContact OG1-O 3.44Å; G41-M43 PolarHBondContact O-N 2.89Å; M43-M103 HydrophobicContact CE-SD 4.1Å
44C87.8Confident85.2Confident19 Ų1960.5 Ų60.513%0.12834%0.338CS..EExtended strand (participates in β ladder)trans-124.4152.8171.862.30000110.3R29 C30 C32 C69R29-C44 WeakPolarHBondContact CA-O 3.09Å; C30-C44 PolarHBondContact N-O 2.91Å; C30-C44 PolarHBondContact O-N 2.88Å; C32-C44 HydrophobicContact CB-CB 3.98Å; C44-C69 HydrophobicContact CB-CB 3.88Å; C44-C69 WeakPolarHBondContact CB-SG 2.99Å; C44-C69 PolarHBondContact O-SG 3.36Å; C44-C69 WeakPolarHBondContact SG-CB 3.2Å; C44-C69 PolarHBondContact SG-N 3.18Å; C44-C69 CovalentContact SG-SG 2.03Å; C44-C69 PolarHBondContact SG-SG 3.42Å
45K87.1Confident84.8Confident105 Ų10560.9 Ų60.946%0.45734%0.338SS..EExtended strand (participates in β ladder)trans-94.7126.6172.5175.2-176.1178.1151.60108.5E27 C69E27-K45 HydrophobicContact CG-CD 4.06Å; E27-K45 HydrophobicContact CG-CG 3.84Å; E27-K45 WeakPolarHBondContact OE1-CD 3.26Å; E27-K45 WeakPolarHBondContact OE1-CE 3.31Å; E27-K45 WeakPolarHBondContact OE1-CG 3.48Å; E27-K45 IonicContact OE1-NZ 3.23Å; E27-K45 PolarHBondContact OE1-NZ 3.47Å; E27-K45 VanDerWaalsContact OE2-CE 3.25Å; E27-K45 WeakPolarHBondContact OE2-CE 3.36Å; E27-K45 IonicContact OE2-NZ 3.84Å; E27-K45 PolarHBondContact OE2-NZ 2.96Å; K45-C69 VanDerWaalsContact C-SG 3.57Å
46S80.4Confident84Confident1 Ų159.7 Ų59.71%0.00733%0.325CS..  trans-96.2117.8176.9175.10000110.8I28 L48 N49 A50I28-S46 PolarHBondContact O-N 3.39Å; S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.09Å; S46-L48 PolarHBondContact OG-N 3.16Å; S46-N49 PolarHBondContact O-N 3.48Å; S46-N49 PolarHBondContact OG-N 2.99Å; S46-N49 VanDerWaalsContact OG-N 3.15Å; S46-A50 WeakPolarHBondContact CB-O 3.45Å; S46-A50 PolarHBondContact OG-N 3.14Å; S46-A50 PolarHBondContact OG-O 3.38Å
47E78.8Confident83.1Confident129 Ų12956.1 Ų56.160%0.60331%0.31SS*.THydrogen-bonded Turntrans-67.4-29.2172.6-60.5-59.4145.100112.1N49 P72E47-N49 VanDerWaalsContact C-N 3.33Å; E47-P72 HydrophobicContact CB-CG 4.35Å
48L74.6Confident81.9Confident70 Ų7058.8 Ų58.837%0.36633%0.328SS..THydrogen-bonded Turntrans-89.19.2177.5-65.1177.2000114S46 A50 L70S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.09Å; S46-L48 PolarHBondContact OG-N 3.16Å; L48-A50 PolarHBondContact O-N 3.32Å; L48-L70 HydrophobicContact CD1-CB 4.19Å
49N78.6Confident80.6Confident51 Ų5162.9 Ų62.927%0.27335%0.346SS..SBendtrans48.843.7-175.6-71.4-16.4000113.1I28 S46 E47 H100I28-N49 HydrophobicContact CD1-CB 3.76Å; I28-N49 HydrophobicContact CG1-CB 4.25Å; S46-N49 PolarHBondContact O-N 3.48Å; S46-N49 PolarHBondContact OG-N 2.99Å; S46-N49 VanDerWaalsContact OG-N 3.15Å; E47-N49 VanDerWaalsContact C-N 3.33Å; N49-H100 PolarHBondContact O-ND1 3.22Å
50A83.7Confident79.1Confident3 Ų360.2 Ų60.23%0.02532%0.322CS..  trans-147.1132.7-175.400000111.6S46 L48 L70 C99S46-A50 WeakPolarHBondContact CB-O 3.45Å; S46-A50 PolarHBondContact OG-N 3.14Å; S46-A50 PolarHBondContact OG-O 3.38Å; L48-A50 PolarHBondContact O-N 3.32Å; A50-L70 HydrophobicContact CB-CD1 3.61Å; A50-C99 WeakPolarHBondContact CA-O 3.43Å
51C86.9Confident78Confident0 Ų061.5 Ų61.50%034%0.341CS..EExtended strand (participates in β ladder)trans-101.7151.2173.7-50.40000110.1C30 C98 C99 N105C30-C51 VanDerWaalsContact CA-SG 3.59Å; C30-C51 HydrophobicContact CB-CB 3.58Å; C30-C51 WeakPolarHBondContact CB-SG 3.29Å; C30-C51 WeakPolarHBondContact SG-CA 3.27Å; C30-C51 WeakPolarHBondContact SG-CB 3.32Å; C30-C51 CovalentContact SG-SG 2.02Å; C30-C51 PolarHBondContact SG-SG 3.46Å; C51-C98 VanDerWaalsContact O-CA 3.25Å; C51-C98 WeakPolarHBondContact O-CA 3.39Å; C51-C99 PolarHBondContact N-O 2.93Å; C51-C99 PolarHBondContact O-N 2.83Å; C51-N105 HydrophobicContact CB-CB 4.05Å
52F86.6Confident76.8Confident39 Ų3966.7 Ų66.717%0.17136%0.357CS..EExtended strand (participates in β ladder)trans-123.8154.4173.677.9-94.4000112.6K54 T66 H67 G68 C69 L70 L96 E97 N105F52-K54 HydrophobicContact CD2-CB 4.28Å; F52-K54 HydrophobicContact CE2-CB 4.35Å; F52-T66 HydrophobicContact CE2-CG2 4.43Å; F52-H67 WeakPolarHBondContact O-CA 3.42Å; F52-G68 WeakPolarHBondContact CD1-O 2.97Å; F52-G68 PolarHBondContact N-O 2.9Å; F52-G68 PolarHBondContact O-N 3.22Å; F52-C69 WeakPolarHBondContact CE1-O 3.22Å; F52-L70 HydrophobicContact CB-CD1 4.38Å; F52-L70 HydrophobicContact CB-CG 4.37Å; F52-L70 HydrophobicContact CD1-CD2 4.34Å; F52-L70 HydrophobicContact CD1-CG 4.06Å; F52-L96 HydrophobicContact CB-CD1 4.09Å; F52-L96 HydrophobicContact CD2-CD1 3.82Å; F52-L96 HydrophobicContact CG-CD1 4.28Å; F52-E97 CarbonylContact C-O 3.54Å; F52-E97 WeakPolarHBondContact CA-O 3.39Å; F52-N105 PolarHBondContact O-ND2 3.39Å
53T85Confident75.5Confident8 Ų861.8 Ų61.85%0.04934%0.338CS..EExtended strand (participates in β ladder)trans-131.5125.9166.7-57.60000108.4L65 T66 H67 L96 E97 N105T53-L65 HydrophobicContact CG2-CB 4.36Å; T53-L65 HydrophobicContact CG2-CD2 3.7Å; T53-T66 CarbonylContact C-O 3.56Å; T53-T66 WeakPolarHBondContact CA-O 3.19Å; T53-H67 VanDerWaalsContact CG2-CE1 3.46Å; T53-H67 WeakPolarHBondContact CG2-CE1 3.31Å; T53-H67 PolarHBondContact OG1-ND1 2.91Å; T53-L96 WeakPolarHBondContact O-CA 3.34Å; T53-E97 PolarHBondContact N-O 3.29Å; T53-E97 PolarHBondContact O-N 3.34Å; T53-N105 WeakPolarHBondContact OG1-CB 3.33Å
54K81.1Confident74.6Confident77 Ų7762.4 Ų62.434%0.33535%0.348SS..EExtended strand (participates in β ladder)trans-120.6127.4-177.9-173.5176.6175.9174.90110.1F52 L65 T66 L96F52-K54 HydrophobicContact CD2-CB 4.28Å; F52-K54 HydrophobicContact CE2-CB 4.35Å; K54-L65 CarbonylContact O-C 3.53Å; K54-L65 WeakPolarHBondContact O-CA 3.35Å; K54-T66 PolarHBondContact N-O 3.47Å; K54-T66 PolarHBondContact O-N 3.37Å; K54-L96 HydrophobicContact CB-CD1 3.68Å; K54-L96 HydrophobicContact CD-CD1 4.43Å; K54-L96 HydrophobicContact CG-CD1 4.09Å
55V78.9Confident74.1Confident32 Ų3264.5 Ų64.519%0.19436%0.357CS..EExtended strand (participates in β ladder)trans-87.7126.2170.8-1750000108.8L65 L94 T95V55-L65 HydrophobicContact CG2-CD2 4.46Å; V55-L65 HydrophobicContact CG2-CG 4.38Å; V55-L94 WeakPolarHBondContact O-CD2 3.03Å; V55-T95 WeakPolarHBondContact CB-OG1 3.02Å; V55-T95 VanDerWaalsContact CG2-OG1 3.28Å; V55-T95 WeakPolarHBondContact CG2-OG1 3.33Å; V55-T95 PolarHBondContact N-O 2.8Å
56L68.8Low73.9Confident88 Ų8861.5 Ų61.546%0.46135%0.348SS..SBendtrans-78.4-30.5-175.6-95.361.6000113.8P64 T66L56-P64 HydrophobicContact CB-CG 4.23Å; L56-P64 HydrophobicContact CD2-CG 4.29Å; L56-P64 PolarHBondContact N-O 3.34Å; L56-T66 WeakPolarHBondContact CD1-OG1 3.38Å
57D67.5Low74.3Confident65 Ų6562.6 Ų62.635%0.34835%0.353SS..  trans-135.5104.9-177.4175.322.6000110.5L59 S60 S63D57-L59 PolarHBondContact O-N 2.94Å; D57-L59 PolarHBondContact OD1-N 3.29Å; D57-L59 VanDerWaalsContact OD1-N 3.08Å; D57-S60 WeakPolarHBondContact OD2-CB 3.4Å; D57-S60 PolarHBondContact OD2-OG 3.46Å; D57-S63 VanDerWaalsContact CA-OG 3.3Å; D57-S63 WeakPolarHBondContact CA-OG 3.42Å; D57-S63 VanDerWaalsContact CB-OG 3.27Å; D57-S63 WeakPolarHBondContact CB-OG 3.45Å; D57-S63 PolarHBondContact N-OG 3.47Å; D57-S63 WeakPolarHBondContact O-CB 3.34Å; D57-S63 PolarHBondContact O-OG 2.99Å; D57-S63 VanDerWaalsContact O-OG 3.09Å
58P62.2Low74.7Confident58 Ų5856.6 Ų56.638%0.37733%0.326SS..THydrogen-bonded Turntrans-73.2-8.6-178.429.4-33.9000114.1A93P58-A93 VanDerWaalsContact CB-O 3.31Å; P58-A93 WeakPolarHBondContact CB-O 3.31Å; P58-A93 WeakPolarHBondContact CG-O 3.39Å
59L62.6Low75.3Confident162 Ų16254.5 Ų54.585%0.84832%0.317SS*.THydrogen-bonded Turntrans-89.6-15.5-179.6-90.775.3000113.5D57D57-L59 PolarHBondContact O-N 2.94Å; D57-L59 PolarHBondContact OD1-N 3.29Å; D57-L59 VanDerWaalsContact OD1-N 3.08Å
60S58.5Low75.2Confident47 Ų4752.9 Ų52.933%0.32931%0.308SS..  trans-111.6125.5-179.360.10000111.7D57 N62 S63D57-S60 WeakPolarHBondContact OD2-CB 3.4Å; D57-S60 PolarHBondContact OD2-OG 3.46Å; S60-N62 PolarHBondContact O-N 2.85Å; S60-N62 VanDerWaalsContact O-N 3.09Å; S60-S63 WeakPolarHBondContact O-CB 3.29Å; S60-S63 PolarHBondContact O-N 2.82Å; S60-S63 VanDerWaalsContact O-N 3.12Å; S60-S63 WeakPolarHBondContact OG-CB 3.3Å
61A61.5Low74.6Confident109 Ų10956.7 Ų56.790%0.90133%0.328SS*.THydrogen-bonded Turntrans-63-15.4178.600000113.6
62N62.3Low73.3Confident157 Ų15760.3 Ų60.384%0.8435%0.351SS*.THydrogen-bonded Turntrans-114.327.2178.1-62.5-38000112.2S60S60-N62 PolarHBondContact O-N 2.85Å; S60-N62 VanDerWaalsContact O-N 3.09Å
63S62.8Low71.8Confident6 Ų664.5 Ų64.54%0.04238%0.38CS..PPolyproline II helixtrans-59.3139.2-179.4-175.70000111.7D57 S60 L65D57-S63 VanDerWaalsContact CA-OG 3.3Å; D57-S63 WeakPolarHBondContact CA-OG 3.42Å; D57-S63 VanDerWaalsContact CB-OG 3.27Å; D57-S63 WeakPolarHBondContact CB-OG 3.45Å; D57-S63 PolarHBondContact N-OG 3.47Å; D57-S63 WeakPolarHBondContact O-CB 3.34Å; D57-S63 PolarHBondContact O-OG 2.99Å; D57-S63 VanDerWaalsContact O-OG 3.09Å; S60-S63 WeakPolarHBondContact O-CB 3.29Å; S60-S63 PolarHBondContact O-N 2.82Å; S60-S63 VanDerWaalsContact O-N 3.12Å; S60-S63 WeakPolarHBondContact OG-CB 3.3Å; S63-L65 WeakPolarHBondContact O-CD1 3.42Å; S63-L65 PolarHBondContact O-N 3.36Å
64P71.5Confident70.5Confident85 Ų8568 Ų6855%0.55240%0.404SS*.PPolyproline II helixtrans-58.9127.4174.721.7-29.9000110.6L56L56-P64 HydrophobicContact CB-CG 4.23Å; L56-P64 HydrophobicContact CD2-CG 4.29Å; L56-P64 PolarHBondContact N-O 3.34Å
65L76.9Confident69.1Low63 Ų6366.6 Ų66.633%0.3341%0.412SS..EExtended strand (participates in β ladder)trans-93.4136.8174.4-67.888.1000108.9T53 K54 V55 S63T53-L65 HydrophobicContact CG2-CB 4.36Å; T53-L65 HydrophobicContact CG2-CD2 3.7Å; K54-L65 CarbonylContact O-C 3.53Å; K54-L65 WeakPolarHBondContact O-CA 3.35Å; V55-L65 HydrophobicContact CG2-CD2 4.46Å; V55-L65 HydrophobicContact CG2-CG 4.38Å; S63-L65 WeakPolarHBondContact O-CD1 3.42Å; S63-L65 PolarHBondContact O-N 3.36Å
66T83.6Confident67.9Low42 Ų4265.3 Ų65.326%0.25840%0.404SS..EExtended strand (participates in β ladder)trans-111.5137.4174.4-64.10000109.9D33 F52 T53 K54 L56D33-T66 WeakPolarHBondContact OD1-CG2 3.14Å; D33-T66 WeakPolarHBondContact OD2-CA 2.89Å; F52-T66 HydrophobicContact CE2-CG2 4.43Å; T53-T66 CarbonylContact C-O 3.56Å; T53-T66 WeakPolarHBondContact CA-O 3.19Å; K54-T66 PolarHBondContact N-O 3.47Å; K54-T66 PolarHBondContact O-N 3.37Å; L56-T66 WeakPolarHBondContact CD1-OG1 3.38Å
67H87.5Confident67.2Low24 Ų2464.7 Ų64.711%0.11141%0.408CS..EExtended strand (participates in β ladder)trans-125.6146.4-172.6-61.5-88.5000110.6Y31 C32 D33 F52 T53 N105Y31-H67 HydrophobicContact CD1-CB 3.74Å; Y31-H67 AromaticContact CD1-CG 3.85Å; Y31-H67 HydrophobicContact CE1-CB 4.32Å; Y31-H67 CarbonylContact O-C 3.54Å; C32-H67 WeakPolarHBondContact CA-O 3.22Å; D33-H67 PolarHBondContact N-O 3.3Å; D33-H67 PolarHBondContact OD1-N 2.87Å; F52-H67 WeakPolarHBondContact O-CA 3.42Å; T53-H67 VanDerWaalsContact CG2-CE1 3.46Å; T53-H67 WeakPolarHBondContact CG2-CE1 3.31Å; T53-H67 PolarHBondContact OG1-ND1 2.91Å; H67-N105 PolarHBondContact CE1-O 3.22Å; H67-N105 VanDerWaalsContact CE1-O 3.31Å; H67-N105 PolarHBondContact ND1-O 3.22Å
68G87.6Confident66.7Low3 Ų368 Ų683%0.03143%0.425CS..EExtended strand (participates in β ladder)trans178-166.9172.800000114.6Y31 F52Y31-G68 WeakPolarHBondContact O-CA 3.32Å; Y31-G68 PolarHBondContact O-N 2.78Å; F52-G68 WeakPolarHBondContact CD1-O 2.97Å; F52-G68 PolarHBondContact N-O 2.9Å; F52-G68 PolarHBondContact O-N 3.22Å
69C87.3Confident66.8Low26 Ų2667.8 Ų67.818%0.17642%0.423CS..EExtended strand (participates in β ladder)trans-102.7145.4177.6-65.70000110.2C30 C44 K45 F52 D71C30-C69 VanDerWaalsContact CB-SG 3.51Å; C30-C69 VanDerWaalsContact SG-SG 3.69Å; C44-C69 HydrophobicContact CB-CB 3.88Å; C44-C69 WeakPolarHBondContact CB-SG 2.99Å; C44-C69 PolarHBondContact O-SG 3.36Å; C44-C69 WeakPolarHBondContact SG-CB 3.2Å; C44-C69 PolarHBondContact SG-N 3.18Å; C44-C69 CovalentContact SG-SG 2.03Å; C44-C69 PolarHBondContact SG-SG 3.42Å; K45-C69 VanDerWaalsContact C-SG 3.57Å; F52-C69 WeakPolarHBondContact CE1-O 3.22Å; C69-D71 PolarHBondContact O-N 2.65Å
70L76.4Confident67.1Low16 Ų1661.2 Ų61.28%0.08439%0.39CS..PPolyproline II helixtrans-81.1119.1174.7-70141.7000109.4L48 A50 F52 A76 C80L48-L70 HydrophobicContact CD1-CB 4.19Å; A50-L70 HydrophobicContact CB-CD1 3.61Å; F52-L70 HydrophobicContact CB-CD1 4.38Å; F52-L70 HydrophobicContact CB-CG 4.37Å; F52-L70 HydrophobicContact CD1-CD2 4.34Å; F52-L70 HydrophobicContact CD1-CG 4.06Å; L70-A76 HydrophobicContact CB-CB 3.95Å; L70-A76 HydrophobicContact CD2-CB 3.28Å; L70-A76 HydrophobicContact CG-CB 4.17Å; L70-C80 HydrophobicContact CD1-CB 4.33Å; L70-C80 WeakPolarHBondContact CD1-SG 3.35Å
71D71.9Confident67.1Low83 Ų8361.9 Ų61.944%0.44441%0.405SS..PPolyproline II helixtrans-82.6131.4173.4-168.7-33.8000109.4C69 V73 S74C69-D71 PolarHBondContact O-N 2.65Å; D71-V73 PolarHBondContact O-N 3.23Å; D71-V73 VanDerWaalsContact O-N 3.08Å; D71-V73 PolarHBondContact OD1-N 3.42Å; D71-S74 PolarHBondContact O-N 3.24Å
72P59.1Low66.6Low77 Ų7762.5 Ų62.550%0.539%0.393SS..THydrogen-bonded Turntrans-54.5-23.7176.121.6-35000114.6E47 S74E47-P72 HydrophobicContact CB-CG 4.35Å; P72-S74 VanDerWaalsContact C-N 3.29Å; P72-S74 PolarHBondContact O-N 3.22Å
73V55.6Low66Low127 Ų12759 Ų5977%0.7739%0.394SS*.THydrogen-bonded Turntrans-75-20.8179-176.90000112.3D71 G75D71-V73 PolarHBondContact O-N 3.23Å; D71-V73 VanDerWaalsContact O-N 3.08Å; D71-V73 PolarHBondContact OD1-N 3.42Å; V73-G75 PolarHBondContact O-N 2.91Å
74S56.1Low65.2Low80 Ų8068.1 Ų68.156%0.55943%0.428SS*.THydrogen-bonded Turntrans-97.541.8-167.6-53.20000113.7D71 P72 A76D71-S74 PolarHBondContact O-N 3.24Å; P72-S74 VanDerWaalsContact C-N 3.29Å; P72-S74 PolarHBondContact O-N 3.22Å; S74-A76 WeakPolarHBondContact O-CA 3.37Å; S74-A76 WeakPolarHBondContact O-CB 3.21Å; S74-A76 PolarHBondContact O-N 2.84Å
75G52.7Low64.1Low48 Ų4874 Ų7450%0.49544%0.439SS..THydrogen-bonded Turntrans5119.2172.200000115.7V73V73-G75 PolarHBondContact O-N 2.91Å
76A54.5Low62.7Low5 Ų573.3 Ų73.34%0.04144%0.442CS..THydrogen-bonded Turntrans-87.1-20.7-155.700000112.8L70 S74 D78 V79 C80L70-A76 HydrophobicContact CB-CB 3.95Å; L70-A76 HydrophobicContact CD2-CB 3.28Å; L70-A76 HydrophobicContact CG-CB 4.17Å; S74-A76 WeakPolarHBondContact O-CA 3.37Å; S74-A76 WeakPolarHBondContact O-CB 3.21Å; S74-A76 PolarHBondContact O-N 2.84Å; A76-D78 PolarHBondContact O-N 3.42Å; A76-V79 PolarHBondContact O-N 3.37Å; A76-V79 VanDerWaalsContact O-N 3.1Å; A76-C80 PolarHBondContact O-N 2.87Å
77S52.8Low61Low76 Ų7674.4 Ų74.453%0.53146%0.456SS..Hα-helixtrans-57.3-33.8172.954.20000111.9G81S77-G81 WeakPolarHBondContact O-CA 3.03Å; S77-G81 PolarHBondContact O-N 2.97Å
78D57.5Low58.9Low134 Ų13479 Ų7972%0.71748%0.481SS*.Hα-helixtrans-80.8-23.9179.2-67.7-15.2000112.3A76A76-D78 PolarHBondContact O-N 3.42Å
79V64.6Low57Low53 Ų5384.5 Ų84.532%0.32152%0.519SS..Hα-helixtrans-80.6-35.7-176.7-1630000111.6A76 A86 L96A76-V79 PolarHBondContact O-N 3.37Å; A76-V79 VanDerWaalsContact O-N 3.1Å; V79-A86 HydrophobicContact CG1-CB 4.04Å; V79-L96 HydrophobicContact CB-CD2 4.21Å; V79-L96 HydrophobicContact CG1-CD2 3.29Å
80C69.1Low55Low25 Ų2591 Ų9117%0.16955%0.551CS.*Hα-helixtrans-100.4-12.8176.2-60.40000114L70 A76 N82 C98L70-C80 HydrophobicContact CD1-CB 4.33Å; L70-C80 WeakPolarHBondContact CD1-SG 3.35Å; A76-C80 PolarHBondContact O-N 2.87Å; C80-N82 VanDerWaalsContact C-N 3.3Å; C80-N82 PolarHBondContact O-N 3.42Å; C80-C98 HydrophobicContact CB-CB 3.54Å; C80-C98 WeakPolarHBondContact CB-SG 3.25Å; C80-C98 WeakPolarHBondContact SG-CB 3.36Å; C80-C98 CovalentContact SG-SG 2.02Å; C80-C98 PolarHBondContact SG-SG 3.39Å
81G58.4Low53.3Low61 Ų6194.5 Ų94.563%0.62959%0.591SS**THydrogen-bonded Turntrans-73.1-16.8-179.200000114.9S77S77-G81 WeakPolarHBondContact O-CA 3.03Å; S77-G81 PolarHBondContact O-N 2.97Å
82N50.9Low52Low121 Ų12192.2 Ų92.265%0.64759%0.588SS**THydrogen-bonded Turntrans-119.111.7-168.2-120.632.8000116.2C80 R84C80-N82 VanDerWaalsContact C-N 3.3Å; C80-N82 PolarHBondContact O-N 3.42Å; N82-R84 VanDerWaalsContact O-CG 3.3Å; N82-R84 WeakPolarHBondContact O-CG 3.04Å; N82-R84 PolarHBondContact O-N 3.42Å
83G49.7Very low51.5Low85 Ų8591.2 Ų91.288%0.87659%0.586SS**  trans52.319.1170.300000115.2
84R45.9Very low51.6Low196 Ų19687.5 Ų87.574%0.7456%0.561SS**SBendtrans-118.7126.7-175-78.4176.5-178.1-146.40.2106.4N82 A86N82-R84 VanDerWaalsContact O-CG 3.3Å; N82-R84 WeakPolarHBondContact O-CG 3.04Å; N82-R84 PolarHBondContact O-N 3.42Å; R84-A86 PolarHBondContact O-N 2.96Å
85R49.1Very low52.3Low209 Ų20986.2 Ų86.279%0.78955%0.55SS*.  trans-39.3105.4158.8-63.9175.3179.9161.2-1.2107A87R85-A87 PolarHBondContact O-N 3.4Å
86A47.6Very low53.4Low48 Ų4885.8 Ų85.840%0.39754%0.536SS..  trans-72.286.517600000106.4V79 R84 D88V79-A86 HydrophobicContact CG1-CB 4.04Å; R84-A86 PolarHBondContact O-N 2.96Å; A86-D88 PolarHBondContact O-N 3.47Å
87A47.2Very low54.7Low66 Ų6690.8 Ų90.855%0.54556%0.559SS.*  trans-72.610516900000106.7R85 S89R85-A87 PolarHBondContact O-N 3.4Å; A87-S89 PolarHBondContact O-N 3.39Å
88D43.3Very low56.1Low119 Ų11989.1 Ų89.164%0.63655%0.546SS*.  trans-57.4127.4168.3-122.8-24.4000108.1A86 L90A86-D88 PolarHBondContact O-N 3.47Å; D88-L90 PolarHBondContact O-N 2.98Å
89S46.7Very low57.4Low120 Ų12084.3 Ų84.384%0.83952%0.523SS*.THydrogen-bonded Turntrans-7211.6-175.4-66.50000113.7A87A87-S89 PolarHBondContact O-N 3.39Å
90L46.4Very low58.4Low161 Ų16186.9 Ų86.984%0.84353%0.531SS*.THydrogen-bonded Turntrans-134.691.5170.1-85.196.7000110.3D88D88-L90 PolarHBondContact O-N 2.98Å
91G41.2Very low59.1Low90 Ų9091.2 Ų91.293%0.92855%0.553SS**THydrogen-bonded Turntrans91.419142.300000119.9
92G44.1Very low60.4Low36 Ų3692.3 Ų92.337%0.37154%0.544SS..  trans171.1117.6166.700000111.6L94G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.2Å
93A48.9Very low62Low55 Ų5590.8 Ų90.846%0.45554%0.535SS..  trans-69.483-179.800000110.5P58 T95P58-A93 VanDerWaalsContact CB-O 3.31Å; P58-A93 WeakPolarHBondContact CB-O 3.31Å; P58-A93 WeakPolarHBondContact CG-O 3.39Å; A93-T95 PolarHBondContact O-N 3.37Å; A93-T95 VanDerWaalsContact O-N 3.09Å
94L57.8Low63.7Low50 Ų5089 Ų8926%0.26251%0.508SS..  trans-67.4105.7169.9-71.5162000108V55 G92 L96V55-L94 WeakPolarHBondContact O-CD2 3.03Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.2Å; L94-L96 PolarHBondContact O-N 3.38Å; L94-L96 VanDerWaalsContact O-N 3.15Å
95T69.4Low65.6Low52 Ų5279.8 Ų79.832%0.31947%0.473SS..  trans-76.8102.1174.651.50000108.7V55 A93V55-T95 WeakPolarHBondContact CB-OG1 3.02Å; V55-T95 VanDerWaalsContact CG2-OG1 3.28Å; V55-T95 WeakPolarHBondContact CG2-OG1 3.33Å; V55-T95 PolarHBondContact N-O 2.8Å; A93-T95 PolarHBondContact O-N 3.37Å; A93-T95 VanDerWaalsContact O-N 3.09Å
96L76.5Confident67.4Low40 Ų4076.6 Ų76.621%0.20946%0.462CS..EExtended strand (participates in β ladder)trans-91.8130168-165.979000109.8F52 T53 K54 V79 L94F52-L96 HydrophobicContact CB-CD1 4.09Å; F52-L96 HydrophobicContact CD2-CD1 3.82Å; F52-L96 HydrophobicContact CG-CD1 4.28Å; T53-L96 WeakPolarHBondContact O-CA 3.34Å; K54-L96 HydrophobicContact CB-CD1 3.68Å; K54-L96 HydrophobicContact CD-CD1 4.43Å; K54-L96 HydrophobicContact CG-CD1 4.09Å; V79-L96 HydrophobicContact CB-CD2 4.21Å; V79-L96 HydrophobicContact CG1-CD2 3.29Å; L94-L96 PolarHBondContact O-N 3.38Å; L94-L96 VanDerWaalsContact O-N 3.15Å
97E81Confident68.6Low110 Ų11080 Ų8051%0.51447%0.465SS..EExtended strand (participates in β ladder)trans-117.6133175-175.5175.8-170.800109F52 T53 R107F52-E97 CarbonylContact C-O 3.54Å; F52-E97 WeakPolarHBondContact CA-O 3.39Å; T53-E97 PolarHBondContact N-O 3.29Å; T53-E97 PolarHBondContact O-N 3.34Å; E97-R107 IonicContact OE2-NH2 2.67Å; E97-R107 PolarHBondContact OE2-NH2 2.95Å; E97-R107 VanDerWaalsContact OE2-NH2 3.09Å
98C84Confident69.5Low40 Ų4077.9 Ų77.927%0.2745%0.449SS..EExtended strand (participates in β ladder)trans-122.3146-179.5-43.80000111.4C51 C80C51-C98 VanDerWaalsContact O-CA 3.25Å; C51-C98 WeakPolarHBondContact O-CA 3.39Å; C80-C98 HydrophobicContact CB-CB 3.54Å; C80-C98 WeakPolarHBondContact CB-SG 3.25Å; C80-C98 WeakPolarHBondContact SG-CB 3.36Å; C80-C98 CovalentContact SG-SG 2.02Å; C80-C98 PolarHBondContact SG-SG 3.39Å
99C82.9Confident69.9Low33 Ų3379.3 Ų79.322%0.22346%0.456CS..EExtended strand (participates in β ladder)trans-144.5158.817856.40000111.5A50 C51 C104A50-C99 WeakPolarHBondContact CA-O 3.43Å; C51-C99 PolarHBondContact N-O 2.93Å; C51-C99 PolarHBondContact O-N 2.83Å; C99-C104 VanDerWaalsContact C-SG 3.57Å; C99-C104 HydrophobicContact CB-CB 3.8Å; C99-C104 WeakPolarHBondContact CB-SG 3.45Å; C99-C104 WeakPolarHBondContact SG-CB 3.47Å; C99-C104 CovalentContact SG-SG 2.02Å; C99-C104 PolarHBondContact SG-SG 3.11Å
100H85.7Confident70.2Confident107 Ų10780.7 Ų80.750%0.49545%0.449SS..  trans-123.322.9-168.2-66.5-75.3000113.7I28 N49I28-H100 WeakPolarHBondContact CD1-O 3.18Å; N49-H100 PolarHBondContact O-ND1 3.22Å
101D83.6Confident70.5Confident117 Ų11776.1 Ų76.163%0.62643%0.426SS*.SBendtrans-112.7155.3176-59.7-54.7000110.5M103 C104D101-M103 PolarHBondContact O-N 3.32Å; D101-C104 HydrophobicContact CB-CB 3.99Å; D101-C104 WeakPolarHBondContact O-CB 3.39Å; D101-C104 PolarHBondContact O-N 2.83Å; D101-C104 PolarHBondContact O-SG 2.67Å
102D85.7Confident70.9Confident84 Ų8478.5 Ų78.545%0.44942%0.416SS..THydrogen-bonded Turntrans-60125.7178.4-166.664000110.9R29 C104R29-D102 PolarHBondContact N-OD1 3.27Å; D102-C104 PolarHBondContact O-N 2.03Å; D102-C104 VanDerWaalsContact O-N 3.09Å
103M85.4Confident71.2Confident89 Ų8980.2 Ų80.244%0.43843%0.427SS..THydrogen-bonded Turntrans53.125.9-178.3-57.9-177.6-74.100115R29 M43 D101 N105 Y106R29-M103 WeakPolarHBondContact O-CA 3.39Å; R29-M103 PolarHBondContact O-N 2.86Å; M43-M103 HydrophobicContact CE-SD 4.1Å; D101-M103 PolarHBondContact O-N 3.32Å; M103-N105 PolarHBondContact O-N 3.49Å; M103-N105 VanDerWaalsContact O-N 3.15Å; M103-Y106 VanDerWaalsContact O-CB 3.31Å; M103-Y106 WeakPolarHBondContact O-CB 3.22Å; M103-Y106 PolarHBondContact O-N 2.85Å
104C84.8Confident71.1Confident46 Ų4684.6 Ų84.631%0.31144%0.438SS..THydrogen-bonded Turntrans-61.2-25.5-177.259.10000114.8C99 D101 D102 Y106C99-C104 VanDerWaalsContact C-SG 3.57Å; C99-C104 HydrophobicContact CB-CB 3.8Å; C99-C104 WeakPolarHBondContact CB-SG 3.45Å; C99-C104 WeakPolarHBondContact SG-CB 3.47Å; C99-C104 CovalentContact SG-SG 2.02Å; C99-C104 PolarHBondContact SG-SG 3.11Å; D101-C104 HydrophobicContact CB-CB 3.99Å; D101-C104 WeakPolarHBondContact O-CB 3.39Å; D101-C104 PolarHBondContact O-N 2.83Å; D101-C104 PolarHBondContact O-SG 2.67Å; D102-C104 PolarHBondContact O-N 2.03Å; D102-C104 VanDerWaalsContact O-N 3.09Å; C104-Y106 VanDerWaalsContact C-N 3.29Å
105N87Confident70.6Confident4 Ų486.7 Ų86.72%0.02145%0.453CS..THydrogen-bonded Turntrans-83.9-1.7178.567.5-24.9000113.5Y31 C51 F52 T53 H67 M103 R107Y31-N105 WeakPolarHBondContact CB-OD1 3.41Å; Y31-N105 PolarHBondContact N-OD1 3.11Å; Y31-N105 PolarHBondContact O-ND2 2.81Å; C51-N105 HydrophobicContact CB-CB 4.05Å; F52-N105 PolarHBondContact O-ND2 3.39Å; T53-N105 WeakPolarHBondContact OG1-CB 3.33Å; H67-N105 PolarHBondContact CE1-O 3.22Å; H67-N105 VanDerWaalsContact CE1-O 3.31Å; H67-N105 PolarHBondContact ND1-O 3.22Å; M103-N105 PolarHBondContact O-N 3.49Å; M103-N105 VanDerWaalsContact O-N 3.15Å; N105-R107 PolarHBondContact O-N 3.13Å
106Y86.4Confident69.4Low142 Ų14295.1 Ų95.156%0.55748%0.479SS*.  trans-79.6101.2174.7-174.7-106.8000110.4Y31 M103 C104 G108Y31-Y106 HydrophobicContact CD1-CD2 4.38Å; Y31-Y106 AromaticContact CD2-CD2 3.74Å; Y31-Y106 HydrophobicContact CD2-CD2 3.74Å; Y31-Y106 HydrophobicContact CD2-CE2 4.24Å; Y31-Y106 HydrophobicContact CE2-CD2 4.12Å; Y31-Y106 HydrophobicContact CE2-CE2 4.21Å; Y31-Y106 AromaticContact CG-CD2 3.88Å; Y31-Y106 HydrophobicContact CG-CD2 3.88Å; M103-Y106 VanDerWaalsContact O-CB 3.31Å; M103-Y106 WeakPolarHBondContact O-CB 3.22Å; M103-Y106 PolarHBondContact O-N 2.85Å; C104-Y106 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 2.03Å
107R73.3Confident68Low119 Ų119100.7 Ų100.745%0.44951%0.509SS..  trans-78.486.1172.5-66.4-145.4171.9118.35.3110.3E97 N105 D111E97-R107 IonicContact OE2-NH2 2.67Å; E97-R107 PolarHBondContact OE2-NH2 2.95Å; E97-R107 VanDerWaalsContact OE2-NH2 3.09Å; N105-R107 PolarHBondContact O-N 3.13Å; R107-D111 VanDerWaalsContact CD-CG 3.49Å; R107-D111 WeakPolarHBondContact CD-OD2 3.46Å; R107-D111 IonicContact NE-OD2 3.49Å
108G65.5Low66.3Low21 Ų21100.4 Ų100.422%0.21652%0.519CS..  trans-71.5-170.6164.700000112.3Y106 Q110 D111Y106-G108 PolarHBondContact O-N 2.03Å; G108-Q110 PolarHBondContact O-N 2.92Å; G108-D111 PolarHBondContact O-N 3.18Å
109L50.7Low64.6Low150 Ų150104.7 Ų104.779%0.78554%0.544SS*.THydrogen-bonded Turntrans-53.6-11.6-178.2-156.372.1000115D111 L112L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 2.87Å; L109-L112 HydrophobicContact CD1-CD1 4.15Å
110Q53.6Low62.5Low148 Ų148111.6 Ų111.669%0.69257%0.573SS**THydrogen-bonded Turntrans-61.5-26.2175.2-93.380.226.100114.8G108 L112 A113G108-Q110 PolarHBondContact O-N 2.92Å; Q110-L112 VanDerWaalsContact C-N 3.28Å; Q110-L112 PolarHBondContact O-N 2.8Å; Q110-A113 PolarHBondContact O-N 2.87Å; Q110-A113 VanDerWaalsContact O-N 3.13Å
111D52.4Low60.7Low65 Ų65112 Ų11235%0.34859%0.588SS.*Hα-helixtrans-68.8-28.2-175.9-150.822.3000112.3R107 G108 L109 A113 H114 T115R107-D111 VanDerWaalsContact CD-CG 3.49Å; R107-D111 WeakPolarHBondContact CD-OD2 3.46Å; R107-D111 IonicContact NE-OD2 3.49Å; G108-D111 PolarHBondContact O-N 3.18Å; L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 2.87Å; D111-A113 PolarHBondContact O-N 3.23Å; D111-H114 PolarHBondContact O-N 2.82Å; D111-T115 PolarHBondContact O-N 2.77Å; D111-T115 PolarHBondContact O-OG1 3Å
112L50.7Low59Low140 Ų140116.8 Ų116.873%0.73360%0.598SS**Hα-helixtrans-67.7-18174.9-67.7172.3000113.7L109 Q110L109-L112 HydrophobicContact CD1-CD1 4.15Å; Q110-L112 VanDerWaalsContact C-N 3.28Å; Q110-L112 PolarHBondContact O-N 2.8Å
113A49.4Very low56.5Low73 Ų73123.4 Ų123.460%0.60362%0.618SS**Hα-helixtrans-86.3-25.3177.400000112.6Q110 D111Q110-A113 PolarHBondContact O-N 2.87Å; Q110-A113 VanDerWaalsContact O-N 3.13Å; D111-A113 PolarHBondContact O-N 3.23Å
114H47.9Very low54.9Low147 Ų147125.2 Ų125.268%0.68164%0.636SS**Hα-helixtrans-107.8-18.1-174.6-72.2-39.5000114.8D111 R116D111-H114 PolarHBondContact O-N 2.82Å; H114-R116 PolarHBondContact O-N 3.29Å; H114-R116 VanDerWaalsContact O-N 3.15Å
115T45.9Very low52.8Low93 Ų93127.3 Ų127.357%0.57166%0.657SS**THydrogen-bonded Turntrans-71.9-1.5173.2-410000113.8D111D111-T115 PolarHBondContact O-N 2.77Å; D111-T115 PolarHBondContact O-OG1 3Å
116R45.7Very low50.9Low230 Ų230134.5 Ų134.587%0.86870%0.695SS**THydrogen-bonded Turntrans-91.50.4-178.9-145.7175.7164.2169.2-3.6114.6H114H114-R116 PolarHBondContact O-N 3.29Å; H114-R116 VanDerWaalsContact O-N 3.15Å
117D46.7Very low49.3Very low156 Ų156130.5 Ų130.583%0.83470%0.697SS**SBendtrans-115.113.1-173.3-150.926000114.7
118S45.6Very low48.1Very low104 Ų104130 Ų13073%0.72770%0.704SS**SBendtrans-116.54.3-174.7-41.40000116
119T47.4Very low47.4Very low130 Ų130138.1 Ų138.180%0.79873%0.728SS**SBendtrans-131118.1174.717.30000111.2
120E39.4Very low47.4Very low179 Ų179136.8 Ų136.884%0.83672%0.721SS**  trans97.688.5154.4-135.4178.8156.800117.9R122E120-R122 PolarHBondContact O-N 3.31Å; E120-R122 VanDerWaalsContact O-N 3.14Å
121S46.7Very low47.5Very low116 Ų116135.1 Ų135.181%0.81172%0.717SS**  trans-57.1103.1144.5-82.10000111
122R47.8Very low47.6Very low217 Ų217136.7 Ų136.782%0.81973%0.728SS**  trans179.8141.4130.9-103.6175.1-102.6-160.7-4.2111.1E120E120-R122 PolarHBondContact O-N 3.31Å; E120-R122 VanDerWaalsContact O-N 3.14Å
123Y34.7Very low47.8Very low223 Ų223134 Ų13488%0.87572%0.718SS**  trans104.4125.5175.9-68.8-79.6000116.8
124P50.9Low47.9Very low126 Ų126138.5 Ų138.582%0.81872%0.719SS**  trans-85.4121175.734-27.5000109.1
125A40.3Very low48.2Very low91 Ų91136 Ų13675%0.75271%0.714SS**  trans-127.690.6165.100000108.4G127A125-G127 PolarHBondContact O-N 2.9Å; A125-G127 VanDerWaalsContact O-N 3.16Å
126D48.1Very low48.4Very low154 Ų154137.6 Ų137.682%0.82472%0.715SS**THydrogen-bonded Turntrans-58.1108.2164.1-124.5-16.9000107.9
127G52.5Low48.7Very low59 Ų59132.5 Ų132.561%0.60870%0.701SS**THydrogen-bonded Turntrans169.4-29.4177.500000116.8A125A125-G127 PolarHBondContact O-N 2.9Å; A125-G127 VanDerWaalsContact O-N 3.16Å
128N48.8Very low49.1Very low108 Ų108131.1 Ų131.158%0.57869%0.693SS**SBendtrans-103.60.3-171.6-153.935000115.5N130N128-N130 PolarHBondContact O-N 3.29Å
129R50.3Low49.7Very low192 Ų192129 Ų12973%0.72568%0.682SS**Hα-helixtrans-68.9-21.2-178.2-62.5179.1165-178.9-6.4113.3T133R129-T133 PolarHBondContact O-OG1 2.84Å
130N51.8Low49.9Very low122 Ų122125.6 Ų125.665%0.65266%0.664SS**Hα-helixtrans-85.3-19.5-174.7-57.8-17.5000113.2N128 R134N128-N130 PolarHBondContact O-N 3.29Å; N130-R134 WeakPolarHBondContact O-CG 3.22Å
131L54.9Low50.7Low113 Ų113118.7 Ų118.759%0.59264%0.637SS**Hα-helixtrans-88.7-38.5179.9-162.772.6000111.3R134 V135L131-R134 PolarHBondContact O-N 2.94Å; L131-V135 WeakPolarHBondContact O-CG2 3.46Å; L131-V135 PolarHBondContact O-N 2.87Å
132V53.7Low51.2Low97 Ų97120.9 Ų120.959%0.58863%0.632SS**Hα-helixtrans-67.4-39.6177.9175.40000111.6R134 V135 Q136V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 3.46Å; V132-V135 PolarHBondContact O-N 3.33Å; V132-Q136 VanDerWaalsContact O-CB 3.25Å; V132-Q136 WeakPolarHBondContact O-CB 3.31Å; V132-Q136 PolarHBondContact O-N 3.46Å
133T55Low51.9Low84 Ų84115.7 Ų115.752%0.51562%0.617SS.*Hα-helixtrans-62.9-36.8172.722.90000112.1R129 E137R129-T133 PolarHBondContact O-OG1 2.84Å; T133-E137 VanDerWaalsContact O-CB 3.28Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 3.34Å
134R51.5Low53.2Low167 Ų167109.4 Ų109.463%0.6360%0.601SS**Hα-helixtrans-71.7-39.1178.7-69-72.4-175.5110.11.8112.8N130 L131 V132 E137 L138N130-R134 WeakPolarHBondContact O-CG 3.22Å; L131-R134 PolarHBondContact O-N 2.94Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 3.46Å; R134-E137 PolarHBondContact O-N 2.86Å; R134-L138 WeakPolarHBondContact O-CD1 3.38Å; R134-L138 PolarHBondContact O-N 3.43Å
135V55.3Low54.1Low95 Ų95112.4 Ų112.458%0.57660%0.596SS**Hα-helixtrans-72.3-38.51771780000111.1L131 V132 L138 A139L131-V135 WeakPolarHBondContact O-CG2 3.46Å; L131-V135 PolarHBondContact O-N 2.87Å; V132-V135 PolarHBondContact O-N 3.33Å; V135-L138 PolarHBondContact O-N 3.28Å; V135-A139 PolarHBondContact O-N 2.84Å
136Q49.8Very low55.3Low127 Ų127115 Ų11559%0.59359%0.591SS**Hα-helixtrans-65.6-37.2172-169.36645.300111.6V132 S140V132-Q136 VanDerWaalsContact O-CB 3.25Å; V132-Q136 WeakPolarHBondContact O-CB 3.31Å; V132-Q136 PolarHBondContact O-N 3.46Å; Q136-S140 WeakPolarHBondContact O-CB 3.32Å; Q136-S140 PolarHBondContact O-N 2.96Å
137E52.8Low56.3Low122 Ų122115.2 Ų115.257%0.5758%0.581SS**Hα-helixtrans-63.1-41.5170-101.2-170.6127.600111.8T133 R134 A141T133-E137 VanDerWaalsContact O-CB 3.28Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 3.34Å; R134-E137 PolarHBondContact O-N 2.86Å; E137-A141 WeakPolarHBondContact O-CA 3.47Å; E137-A141 WeakPolarHBondContact O-CB 3.4Å; E137-A141 PolarHBondContact O-N 3.41Å
138L53.7Low57.4Low127 Ų127114.9 Ų114.967%0.66557%0.572SS**Hα-helixtrans-67.3-40178.1-96.284000112.4R134 V135 K142R134-L138 WeakPolarHBondContact O-CD1 3.38Å; R134-L138 PolarHBondContact O-N 3.43Å; V135-L138 PolarHBondContact O-N 3.28Å; L138-K142 WeakPolarHBondContact O-CB 3.42Å; L138-K142 PolarHBondContact O-N 3.27Å
139A57.5Low58.9Low59 Ų59111.8 Ų111.849%0.48856%0.561SS.*Hα-helixtrans-69.3-44.3176.500000111.6V135 K142 E143V135-A139 PolarHBondContact O-N 2.84Å; A139-K142 PolarHBondContact O-N 2.81Å; A139-E143 PolarHBondContact O-N 3.25Å
140S53Low60.3Low60 Ų60106.8 Ų106.842%0.4255%0.552SS.*Hα-helixtrans-65.8-40.2175.5-176.70000111.9Q136 K142 E143 V144Q136-S140 WeakPolarHBondContact O-CB 3.32Å; Q136-S140 PolarHBondContact O-N 2.96Å; S140-K142 VanDerWaalsContact C-N 3.34Å; S140-E143 PolarHBondContact O-N 3.28Å; S140-V144 WeakPolarHBondContact O-CG2 3.28Å; S140-V144 PolarHBondContact O-N 3.38Å
141A56.5Low61.5Low34 Ų34106.2 Ų106.228%0.28155%0.548SS..Hα-helixtrans-63.2-45.3177.500000109.3E137 E143 V144 W145E137-A141 WeakPolarHBondContact O-CA 3.47Å; E137-A141 WeakPolarHBondContact O-CB 3.4Å; E137-A141 PolarHBondContact O-N 3.41Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 3Å; A141-V144 CarbonylContact O-C 3.53Å; A141-V144 WeakPolarHBondContact O-CA 3.38Å; A141-V144 PolarHBondContact O-N 3.38Å; A141-W145 PolarHBondContact O-N 2.89Å; A141-W145 PolarHBondContact O-NE1 3.39Å
142K57.5Low62.5Low162 Ų162103.4 Ų103.470%0.70454%0.541SS*.Hα-helixtrans-56.5-37.6178.2-171.3168.7178.1160.40112.9L138 A139 S140 F146L138-K142 WeakPolarHBondContact O-CB 3.42Å; L138-K142 PolarHBondContact O-N 3.27Å; A139-K142 PolarHBondContact O-N 2.81Å; S140-K142 VanDerWaalsContact C-N 3.34Å; K142-F146 WeakPolarHBondContact O-CB 3.44Å; K142-F146 PolarHBondContact O-N 3.34Å
143E62.1Low63.9Low108 Ų108103.5 Ų103.551%0.50554%0.541SS..Hα-helixtrans-67.5-38.3174-165.3179.7159.700112.3A139 S140 A141 F146 R147A139-E143 PolarHBondContact O-N 3.25Å; S140-E143 PolarHBondContact O-N 3.28Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 3Å; E143-F146 PolarHBondContact O-N 3.37Å; E143-R147 WeakPolarHBondContact O-CG 3.32Å; E143-R147 PolarHBondContact O-N 3.37Å; E143-R147 IonicContact OE1-CZ 3.09Å; E143-R147 IonicContact OE1-NE 2.76Å; E143-R147 IonicContact OE1-NH2 3.77Å; E143-R147 PolarHBondContact OE1-NH2 3.01Å
144V61.1Low65.4Low90 Ų90103.6 Ų103.655%0.54554%0.543SS..Hα-helixtrans-70.4-41.6176.6178.80000111.9S140 A141 F146 R147 A148S140-V144 WeakPolarHBondContact O-CG2 3.28Å; S140-V144 PolarHBondContact O-N 3.38Å; A141-V144 CarbonylContact O-C 3.53Å; A141-V144 WeakPolarHBondContact O-CA 3.38Å; A141-V144 PolarHBondContact O-N 3.38Å; V144-F146 VanDerWaalsContact C-N 3.27Å; V144-F146 PolarHBondContact O-N 3.42Å; V144-R147 PolarHBondContact O-N 2.82Å; V144-A148 WeakPolarHBondContact O-CB 3.41Å; V144-A148 PolarHBondContact O-N 2.9Å
145W69.9Low67.2Low189 Ų189100.6 Ų100.672%0.71654%0.539SS*.Hα-helixtrans-64.4-32.9173.6-58109.9000111.3A141 A149A141-W145 PolarHBondContact O-N 2.89Å; A141-W145 PolarHBondContact O-NE1 3.39Å; W145-A149 WeakPolarHBondContact O-CB 3.42Å; W145-A149 PolarHBondContact O-N 3.06Å
146F66.3Low68.8Low146 Ų14698.3 Ų98.364%0.6453%0.53SS*.Hα-helixtrans-71.1-42.6176.4-167.3-99.4000112K142 E143 V144 A149 V150K142-F146 WeakPolarHBondContact O-CB 3.44Å; K142-F146 PolarHBondContact O-N 3.34Å; E143-F146 PolarHBondContact O-N 3.37Å; V144-F146 VanDerWaalsContact C-N 3.27Å; V144-F146 PolarHBondContact O-N 3.42Å; F146-A149 PolarHBondContact O-N 3.32Å; F146-V150 HydrophobicContact CD1-CG2 4.43Å; F146-V150 HydrophobicContact CE1-CG2 4.13Å; F146-V150 HydrophobicContact CZ-CG2 4.42Å; F146-V150 WeakPolarHBondContact O-CB 3.46Å; F146-V150 PolarHBondContact O-N 3.46Å
147R69.6Low70.7Confident159 Ų15994.1 Ų94.160%0.652%0.52SS*.Hα-helixtrans-62.9-41.3172.3-69.6-179.5-170.8-159.15.3111.8E143 V144 I151E143-R147 WeakPolarHBondContact O-CG 3.32Å; E143-R147 PolarHBondContact O-N 3.37Å; E143-R147 IonicContact OE1-CZ 3.09Å; E143-R147 IonicContact OE1-NE 2.76Å; E143-R147 IonicContact OE1-NH2 3.77Å; E143-R147 PolarHBondContact OE1-NH2 3.01Å; V144-R147 PolarHBondContact O-N 2.82Å; R147-I151 WeakPolarHBondContact O-CG1 3.2Å; R147-I151 PolarHBondContact O-N 2.79Å
148A73.9Confident72.4Confident51 Ų5189.8 Ų89.842%0.42151%0.509SS..Hα-helixtrans-67.3-41.2176.100000112.2V144 I151 A152V144-A148 WeakPolarHBondContact O-CB 3.41Å; V144-A148 PolarHBondContact O-N 2.9Å; A148-I151 PolarHBondContact O-N 3.23Å; A148-A152 WeakPolarHBondContact O-CB 3.37Å; A148-A152 PolarHBondContact O-N 3.29Å
149A80.2Confident74.1Confident44 Ų4489.1 Ų89.136%0.36451%0.505SS..Hα-helixtrans-66.1-42.5177.800000112W145 F146 I151 A152 V153W145-A149 WeakPolarHBondContact O-CB 3.42Å; W145-A149 PolarHBondContact O-N 3.06Å; F146-A149 PolarHBondContact O-N 3.32Å; A149-I151 PolarHBondContact O-N 3.47Å; A149-A152 PolarHBondContact O-N 2.81Å; A149-V153 WeakPolarHBondContact O-CB 3.42Å; A149-V153 WeakPolarHBondContact O-CG2 3.4Å; A149-V153 PolarHBondContact O-N 2.95Å
150V81.3Confident75.9Confident87 Ų8790.9 Ų90.953%0.52751%0.506SS..Hα-helixtrans-58.9-30.7175.8153.70000112.5F146 P154F146-V150 HydrophobicContact CD1-CG2 4.43Å; F146-V150 HydrophobicContact CE1-CG2 4.13Å; F146-V150 HydrophobicContact CZ-CG2 4.42Å; F146-V150 WeakPolarHBondContact O-CB 3.46Å; F146-V150 PolarHBondContact O-N 3.46Å; V150-P154 WeakPolarHBondContact O-CD 3.05Å; V150-P154 WeakPolarHBondContact O-CG 3.33Å
151I75.3Confident77.8Confident110 Ų11093 Ų9356%0.56451%0.512SS*.Hα-helixtrans-86.3-42.3176.9-61.8168.2000111.1R147 A148 A149 P154 I155R147-I151 WeakPolarHBondContact O-CG1 3.2Å; R147-I151 PolarHBondContact O-N 2.79Å; A148-I151 PolarHBondContact O-N 3.23Å; A149-I151 PolarHBondContact O-N 3.47Å; I151-P154 WeakPolarHBondContact O-CD 3.41Å; I151-I155 HydrophobicContact CG2-CD1 3.99Å; I151-I155 WeakPolarHBondContact O-CD1 3.47Å; I151-I155 VanDerWaalsContact O-CG1 3.32Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å
152A77Confident79.3Confident53 Ų5395.5 Ų95.544%0.43852%0.523SS..Hα-helixtrans-71.3-33.5-177.100000112.9A148 A149 I155 A156A148-A152 WeakPolarHBondContact O-CB 3.37Å; A148-A152 PolarHBondContact O-N 3.29Å; A149-A152 PolarHBondContact O-N 2.81Å; A152-I155 PolarHBondContact O-N 3.15Å; A152-A156 VanDerWaalsContact O-CB 3.31Å; A152-A156 WeakPolarHBondContact O-CB 3.16Å; A152-A156 PolarHBondContact O-N 3.27Å
153V83.3Confident81Confident99 Ų9993.2 Ų93.260%0.652%0.518SS*.Hα-helixtrans-65.2-46.5-177.6168.10000112.1A149 I155 G157A149-V153 WeakPolarHBondContact O-CB 3.42Å; A149-V153 WeakPolarHBondContact O-CG2 3.4Å; A149-V153 PolarHBondContact O-N 2.95Å; V153-I155 VanDerWaalsContact C-N 3.34Å; V153-I155 PolarHBondContact O-N 3.01Å; V153-G157 WeakPolarHBondContact O-CA 3.46Å; V153-G157 PolarHBondContact O-N 3.31Å
154P87Confident82.4Confident87 Ų8793 Ų9357%0.56552%0.52SS*.Hα-helixtrans-61.3-39.4172.3-25.934.2000113.4V150 I151 G158V150-P154 WeakPolarHBondContact O-CD 3.05Å; V150-P154 WeakPolarHBondContact O-CG 3.33Å; I151-P154 WeakPolarHBondContact O-CD 3.41Å; P154-G158 PolarHBondContact O-N 2.96Å
155I88Confident84Confident104 Ų10492.9 Ų92.953%0.53352%0.515SS..Hα-helixtrans-66.9-49.8179.9-63169.1000110.2I151 A152 V153 G158 L159I151-I155 HydrophobicContact CG2-CD1 3.99Å; I151-I155 WeakPolarHBondContact O-CD1 3.47Å; I151-I155 VanDerWaalsContact O-CG1 3.32Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; A152-I155 PolarHBondContact O-N 3.15Å; V153-I155 VanDerWaalsContact C-N 3.34Å; V153-I155 PolarHBondContact O-N 3.01Å; I155-G158 PolarHBondContact O-N 3.19Å; I155-L159 HydrophobicContact CG2-CD1 4.42Å; I155-L159 WeakPolarHBondContact O-CG 3.17Å; I155-L159 PolarHBondContact O-N 2.8Å
156A89.1Confident84.7Confident47 Ų4788.4 Ų88.439%0.38850%0.504SS..Hα-helixtrans-63.7-43.217700000111.6A152 G158 L159 I160A152-A156 VanDerWaalsContact O-CB 3.31Å; A152-A156 WeakPolarHBondContact O-CB 3.16Å; A152-A156 PolarHBondContact O-N 3.27Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-G158 PolarHBondContact O-N 3.28Å; A156-L159 PolarHBondContact O-N 3.28Å; A156-I160 VanDerWaalsContact O-CG1 3.26Å; A156-I160 WeakPolarHBondContact O-CG1 3.41Å; A156-I160 PolarHBondContact O-N 2.83Å
157G90.8Very high85.8Confident38 Ų3886.7 Ų86.739%0.39250%0.5SS..Hα-helixtrans-59.7-42.7175.100000112.4V153 I160 L161V153-G157 WeakPolarHBondContact O-CA 3.46Å; V153-G157 PolarHBondContact O-N 3.31Å; G157-I160 PolarHBondContact O-N 3.21Å; G157-L161 VanDerWaalsContact O-CB 3.3Å; G157-L161 WeakPolarHBondContact O-CB 2.96Å; G157-L161 PolarHBondContact O-N 2.81Å
158G86.8Confident86.8Confident32 Ų3281.3 Ų81.333%0.3349%0.49SS..Hα-helixtrans-62.8-45.1174.800000112.7P154 I155 A156 L161 V162P154-G158 PolarHBondContact O-N 2.96Å; I155-G158 PolarHBondContact O-N 3.19Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-G158 PolarHBondContact O-N 3.28Å; G158-L161 PolarHBondContact O-N 3.26Å; G158-V162 VanDerWaalsContact O-CG2 3.31Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 3.03Å
159L90.2Very high87.2Confident112 Ų11282.2 Ų82.259%0.58649%0.487SS*.Hα-helixtrans-62.8-44.3177-70175.3000112I155 A156 V162 L163I155-L159 HydrophobicContact CG2-CD1 4.42Å; I155-L159 WeakPolarHBondContact O-CG 3.17Å; I155-L159 PolarHBondContact O-N 2.8Å; A156-L159 PolarHBondContact O-N 3.28Å; L159-V162 PolarHBondContact O-N 3.15Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.24Å
160I95Very high87.3Confident97 Ų9788.4 Ų88.450%0.49750%0.501SS..Hα-helixtrans-62.8-45.6176.8-66.8164.2000110.3A156 G157 V162 L163 L164A156-I160 VanDerWaalsContact O-CG1 3.26Å; A156-I160 WeakPolarHBondContact O-CG1 3.41Å; A156-I160 PolarHBondContact O-N 2.83Å; G157-I160 PolarHBondContact O-N 3.21Å; I160-V162 VanDerWaalsContact C-N 3.34Å; I160-V162 PolarHBondContact O-N 2.02Å; I160-L163 PolarHBondContact O-N 3.37Å; I160-L164 HydrophobicContact CG2-CD1 3.99Å; I160-L164 HydrophobicContact CG2-CG 4.27Å; I160-L164 WeakPolarHBondContact O-CG 3.09Å; I160-L164 PolarHBondContact O-N 2.02Å
161L93.8Very high87.1Confident104 Ų10489.4 Ų89.455%0.54550%0.501SS..Hα-helixtrans-59.2-44.8178.3-174.568.2000111.5G157 G158 L163 L164 I165G157-L161 VanDerWaalsContact O-CB 3.3Å; G157-L161 WeakPolarHBondContact O-CB 2.96Å; G157-L161 PolarHBondContact O-N 2.81Å; G158-L161 PolarHBondContact O-N 3.26Å; L161-L163 PolarHBondContact O-N 3.01Å; L161-L164 PolarHBondContact O-N 3.12Å; L161-I165 HydrophobicContact CG-CD1 4.04Å; L161-I165 VanDerWaalsContact O-CG1 3.26Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.27Å
162V88.3Confident87.2Confident87 Ų8789 Ų8953%0.52750%0.5SS..Hα-helixtrans-61.3-43.2176170.50000111.3G158 L159 I160 I165 M166G158-V162 VanDerWaalsContact O-CG2 3.31Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 3.03Å; L159-V162 PolarHBondContact O-N 3.15Å; I160-V162 VanDerWaalsContact C-N 3.34Å; I160-V162 PolarHBondContact O-N 2.02Å; V162-I165 PolarHBondContact O-N 2.84Å; V162-M166 HydrophobicContact CG1-CG 4.44Å; V162-M166 WeakPolarHBondContact O-CB 2.99Å; V162-M166 VanDerWaalsContact O-CG 3.31Å; V162-M166 WeakPolarHBondContact O-CG 3.29Å; V162-M166 PolarHBondContact O-N 3.13Å
163L91.4Very high87Confident113 Ų11395.1 Ų95.159%0.59251%0.511SS*.Hα-helixtrans-62.7-44176.7-71.5176000111.9L159 I160 L161 M166 L167L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.24Å; I160-L163 PolarHBondContact O-N 3.37Å; L161-L163 PolarHBondContact O-N 3.01Å; L163-M166 PolarHBondContact O-N 3.34Å; L163-L167 WeakPolarHBondContact O-CG 3.14Å; L163-L167 PolarHBondContact O-N 2.84Å
164L92.3Very high86.6Confident103 Ų10393.7 Ų93.754%0.53951%0.506SS..Hα-helixtrans-62.6-42.5176.7-69176.2000111.7I160 L161 L167 A168I160-L164 HydrophobicContact CG2-CD1 3.99Å; I160-L164 HydrophobicContact CG2-CG 4.27Å; I160-L164 WeakPolarHBondContact O-CG 3.09Å; I160-L164 PolarHBondContact O-N 2.02Å; L161-L164 PolarHBondContact O-N 3.12Å; L164-L167 PolarHBondContact O-N 3.09Å; L164-A168 WeakPolarHBondContact O-CB 3.22Å; L164-A168 PolarHBondContact O-N 3.23Å
165I94.3Very high85.9Confident88 Ų8894.2 Ų94.245%0.45150%0.501SS..Hα-helixtrans-61.8-45.5174.5-68.9166000110.5L161 V162 L167 A168 L169L161-I165 HydrophobicContact CG-CD1 4.04Å; L161-I165 VanDerWaalsContact O-CG1 3.26Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.27Å; V162-I165 PolarHBondContact O-N 2.84Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 3.2Å; I165-A168 PolarHBondContact O-N 2.76Å; I165-L169 HydrophobicContact CG2-CD1 3.9Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.07Å; I165-L169 PolarHBondContact O-N 3.18Å
166M85.9Confident85.1Confident96 Ų9693.6 Ų93.647%0.47350%0.499SS..Hα-helixtrans-62.9-38.7178.3-76.8-64.2-65.900112.4V162 L163 R170V162-M166 HydrophobicContact CG1-CG 4.44Å; V162-M166 WeakPolarHBondContact O-CB 2.99Å; V162-M166 VanDerWaalsContact O-CG 3.31Å; V162-M166 WeakPolarHBondContact O-CG 3.29Å; V162-M166 PolarHBondContact O-N 3.13Å; L163-M166 PolarHBondContact O-N 3.34Å; M166-R170 WeakPolarHBondContact O-CB 2.98Å; M166-R170 WeakPolarHBondContact O-CG 3.43Å; M166-R170 PolarHBondContact O-N 2.96Å
167L88.6Confident84.4Confident110 Ų11097.7 Ų97.758%0.57651%0.508SS*.Hα-helixtrans-66.1-46.4174.1-73.3173.5000111.4L163 L164 I165 L169 R170 M171L163-L167 WeakPolarHBondContact O-CG 3.14Å; L163-L167 PolarHBondContact O-N 2.84Å; L164-L167 PolarHBondContact O-N 3.09Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 3.2Å; L167-L169 VanDerWaalsContact C-N 3.34Å; L167-L169 PolarHBondContact O-N 2.96Å; L167-R170 PolarHBondContact O-N 3.24Å; L167-M171 WeakPolarHBondContact O-CB 3.1Å; L167-M171 PolarHBondContact O-N 3.06Å
168A90.8Very high83.3Confident45 Ų45105.5 Ų105.537%0.37253%0.525SS..Hα-helixtrans-60.1-43.9176.200000111.5L164 I165 M171 L172L164-A168 WeakPolarHBondContact O-CB 3.22Å; L164-A168 PolarHBondContact O-N 3.23Å; I165-A168 PolarHBondContact O-N 2.76Å; A168-M171 PolarHBondContact O-N 3.38Å; A168-L172 WeakPolarHBondContact O-CB 3.39Å; A168-L172 VanDerWaalsContact O-CG 3.27Å; A168-L172 WeakPolarHBondContact O-CG 3.44Å; A168-L172 PolarHBondContact O-N 3.44Å
169L82.6Confident82.4Confident70 Ų70108.8 Ų108.837%0.36654%0.535SS..Hα-helixtrans-66.6-37.3175.6-71.2176.5000112.4I165 L167 M171 R173I165-L169 HydrophobicContact CG2-CD1 3.9Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.07Å; I165-L169 PolarHBondContact O-N 3.18Å; L167-L169 VanDerWaalsContact C-N 3.34Å; L167-L169 PolarHBondContact O-N 2.96Å; L169-M171 VanDerWaalsContact C-N 3.34Å; L169-R173 VanDerWaalsContact O-CB 3.22Å; L169-R173 WeakPolarHBondContact O-CB 3.07Å; L169-R173 WeakPolarHBondContact O-CG 3.39Å; L169-R173 PolarHBondContact O-N 2.97Å
170R81Confident81.5Confident175 Ų175109 Ų10966%0.6653%0.533SS*.Hα-helixtrans-65.7-38.7173.4-87.2-173166.4156.7-1.6111.7M166 L167 S174M166-R170 WeakPolarHBondContact O-CB 2.98Å; M166-R170 WeakPolarHBondContact O-CG 3.43Å; M166-R170 PolarHBondContact O-N 2.96Å; L167-R170 PolarHBondContact O-N 3.24Å; R170-S174 WeakPolarHBondContact O-CB 3.1Å; R170-S174 PolarHBondContact O-N 3.02Å; R170-S174 PolarHBondContact O-OG 3.25Å; R170-S174 VanDerWaalsContact O-OG 3.11Å
171M77.9Confident80.5Confident108 Ų108107.9 Ų107.953%0.53253%0.528SS..Hα-helixtrans-66.2-48.9175.7-165.9178.782.200110.7L167 A168 L169 R173 S174 E175L167-M171 WeakPolarHBondContact O-CB 3.1Å; L167-M171 PolarHBondContact O-N 3.06Å; A168-M171 PolarHBondContact O-N 3.38Å; L169-M171 VanDerWaalsContact C-N 3.34Å; M171-R173 VanDerWaalsContact C-N 3.33Å; M171-R173 PolarHBondContact O-N 2.85Å; M171-S174 PolarHBondContact O-N 2.93Å; M171-S174 PolarHBondContact O-OG 2.74Å; M171-E175 WeakPolarHBondContact O-CB 3.27Å; M171-E175 VanDerWaalsContact O-CG 3.31Å; M171-E175 WeakPolarHBondContact O-CG 3.45Å; M171-E175 PolarHBondContact O-N 2.84Å
172L76.9Confident79.2Confident101 Ų101108.4 Ų108.453%0.52953%0.527SS..Hα-helixtrans-62-39.4176.1-70.8169.9000112A168 N176A168-L172 WeakPolarHBondContact O-CB 3.39Å; A168-L172 VanDerWaalsContact O-CG 3.27Å; A168-L172 WeakPolarHBondContact O-CG 3.44Å; A168-L172 PolarHBondContact O-N 3.44Å; L172-N176 WeakPolarHBondContact O-CB 3.3Å; L172-N176 PolarHBondContact O-N 3.05Å
173R73.8Confident78.1Confident181 Ų181113.2 Ų113.268%0.68354%0.536SS*.Hα-helixtrans-73-36.9176.8-75179.2-174.5175.84112.8L169 M171 K177L169-R173 VanDerWaalsContact O-CB 3.22Å; L169-R173 WeakPolarHBondContact O-CB 3.07Å; L169-R173 WeakPolarHBondContact O-CG 3.39Å; L169-R173 PolarHBondContact O-N 2.97Å; M171-R173 VanDerWaalsContact C-N 3.33Å; M171-R173 PolarHBondContact O-N 2.85Å; R173-K177 WeakPolarHBondContact O-CB 3.28Å; R173-K177 PolarHBondContact O-N 3.08Å
174S73.3Confident77Confident69 Ų69113.9 Ų113.948%0.48354%0.536SS..Hα-helixtrans-69.6-39.4178.967.20000111.1R170 M171 R178R170-S174 WeakPolarHBondContact O-CB 3.1Å; R170-S174 PolarHBondContact O-N 3.02Å; R170-S174 PolarHBondContact O-OG 3.25Å; R170-S174 VanDerWaalsContact O-OG 3.11Å; M171-S174 PolarHBondContact O-N 2.93Å; M171-S174 PolarHBondContact O-OG 2.74Å; S174-R178 PolarHBondContact O-N 3.36Å
175E72.8Confident75.8Confident99 Ų99114.9 Ų114.946%0.46354%0.538SS..Hα-helixtrans-67.7-46.7174-70.2-17616100111.4M171 K177 R178 L179M171-E175 WeakPolarHBondContact O-CB 3.27Å; M171-E175 VanDerWaalsContact O-CG 3.31Å; M171-E175 WeakPolarHBondContact O-CG 3.45Å; M171-E175 PolarHBondContact O-N 2.84Å; E175-K177 VanDerWaalsContact C-N 3.3Å; E175-K177 PolarHBondContact O-N 3.01Å; E175-R178 WeakPolarHBondContact O-CB 3.42Å; E175-R178 PolarHBondContact O-N 3.49Å; E175-R178 VanDerWaalsContact O-N 3.12Å; E175-L179 WeakPolarHBondContact O-CD1 3.27Å; E175-L179 PolarHBondContact O-N 3.42Å
176N70.8Confident74.3Confident91 Ų91117 Ų11749%0.48755%0.548SS..Hα-helixtrans-63.2-36.9177.6-156.7-45000111.5L172 L179 Q180L172-N176 WeakPolarHBondContact O-CB 3.3Å; L172-N176 PolarHBondContact O-N 3.05Å; N176-L179 PolarHBondContact O-N 3.23Å; N176-Q180 WeakPolarHBondContact O-CB 3.2Å; N176-Q180 VanDerWaalsContact O-CG 3.31Å; N176-Q180 WeakPolarHBondContact O-CG 3.37Å; N176-Q180 PolarHBondContact O-N 3.22Å
177K74.5Confident73.5Confident133 Ų133117.7 Ų117.758%0.57855%0.553SS**Hα-helixtrans-64-42.8172.4-169.8166.4-177.4170.70111.9R173 E175 L179 Q180 D181R173-K177 WeakPolarHBondContact O-CB 3.28Å; R173-K177 PolarHBondContact O-N 3.08Å; E175-K177 VanDerWaalsContact C-N 3.3Å; E175-K177 PolarHBondContact O-N 3.01Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 2.69Å; K177-Q180 PolarHBondContact O-N 3.09Å; K177-D181 WeakPolarHBondContact O-CB 3.41Å; K177-D181 VanDerWaalsContact O-CG 3.26Å; K177-D181 PolarHBondContact O-N 2.78Å
178R67.8Low72.3Confident202 Ų202115.6 Ų115.676%0.76255%0.547SS*.Hα-helixtrans-60-42.6173.1-120.6174.269.6168.71112.3S174 E175 Q182S174-R178 PolarHBondContact O-N 3.36Å; E175-R178 WeakPolarHBondContact O-CB 3.42Å; E175-R178 PolarHBondContact O-N 3.49Å; E175-R178 VanDerWaalsContact O-N 3.12Å; R178-Q182 WeakPolarHBondContact O-CB 3.33Å; R178-Q182 PolarHBondContact O-N 3.27Å
179L67.9Low70.9Confident101 Ų101123 Ų12353%0.52957%0.565SS.*Hα-helixtrans-66-39.7175.7-85.2142.4000112.1E175 N176 K177 R183E175-L179 WeakPolarHBondContact O-CD1 3.27Å; E175-L179 PolarHBondContact O-N 3.42Å; N176-L179 PolarHBondContact O-N 3.23Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 2.69Å; L179-R183 WeakPolarHBondContact O-CB 3.5Å; L179-R183 VanDerWaalsContact O-CG 3.31Å; L179-R183 WeakPolarHBondContact O-CG 3.33Å; L179-R183 PolarHBondContact O-N 2.87Å
180Q71.7Confident69.9Low117 Ų117125.7 Ų125.755%0.54758%0.58SS.*Hα-helixtrans-66.5-44.4175.2-78.5-176-24.200111.9N176 K177 Q182 R183 Q184N176-Q180 WeakPolarHBondContact O-CB 3.2Å; N176-Q180 VanDerWaalsContact O-CG 3.31Å; N176-Q180 WeakPolarHBondContact O-CG 3.37Å; N176-Q180 PolarHBondContact O-N 3.22Å; K177-Q180 PolarHBondContact O-N 3.09Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 2.75Å; Q180-R183 PolarHBondContact O-N 3.02Å; Q180-Q184 WeakPolarHBondContact O-CB 3.01Å; Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 2.85Å
181D73.8Confident68.7Low72 Ų72123.5 Ų123.539%0.38558%0.577SS.*Hα-helixtrans-62.2-42.2176.4-69.2-23.1000110.6K177 Q184 Q185K177-D181 WeakPolarHBondContact O-CB 3.41Å; K177-D181 VanDerWaalsContact O-CG 3.26Å; K177-D181 PolarHBondContact O-N 2.78Å; D181-Q184 PolarHBondContact O-N 2.84Å; D181-Q185 WeakPolarHBondContact O-CB 3.01Å; D181-Q185 VanDerWaalsContact O-CG 3.29Å; D181-Q185 WeakPolarHBondContact O-CG 3.28Å; D181-Q185 PolarHBondContact O-N 3.12Å
182Q67Low67.7Low116 Ų116128 Ų12854%0.54259%0.589SS.*Hα-helixtrans-64.1-40.5174.9-169.2-179.1-9.900112.2R178 Q180 Q185 M186R178-Q182 WeakPolarHBondContact O-CB 3.33Å; R178-Q182 PolarHBondContact O-N 3.27Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 2.75Å; Q182-Q185 PolarHBondContact O-N 2.83Å; Q182-M186 VanDerWaalsContact O-CG 3.23Å; Q182-M186 WeakPolarHBondContact O-CG 3.4Å; Q182-M186 PolarHBondContact O-N 3.15Å
183R64.5Low66.8Low187 Ų187127.2 Ų127.271%0.70659%0.592SS**Hα-helixtrans-67-39.3174.8-76.7-124.3177.4164.6-1.3112.3L179 Q180 M186 L187L179-R183 WeakPolarHBondContact O-CB 3.5Å; L179-R183 VanDerWaalsContact O-CG 3.31Å; L179-R183 WeakPolarHBondContact O-CG 3.33Å; L179-R183 PolarHBondContact O-N 2.87Å; Q180-R183 PolarHBondContact O-N 3.02Å; R183-M186 PolarHBondContact O-N 3.43Å; R183-L187 WeakPolarHBondContact O-CB 3.25Å; R183-L187 WeakPolarHBondContact O-CG 3.25Å; R183-L187 PolarHBondContact O-N 3.46Å
184Q68.9Low66Low128 Ų128125.5 Ų125.560%0.59859%0.59SS**Hα-helixtrans-66.6-36.9175.6-77.4-174.1-17.400112Q180 D181 L187 S188Q180-Q184 WeakPolarHBondContact O-CB 3.01Å; Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 2.85Å; D181-Q184 PolarHBondContact O-N 2.84Å; Q184-L187 PolarHBondContact O-N 3.3Å; Q184-S188 VanDerWaalsContact O-CB 3.26Å; Q184-S188 WeakPolarHBondContact O-CB 3.39Å; Q184-S188 PolarHBondContact O-N 2.69Å; Q184-S188 PolarHBondContact O-OG 3.1Å
185Q66.4Low65Low123 Ų123128.3 Ų128.358%0.57560%0.595SS**Hα-helixtrans-68.2-37.4173.7-72.6175.7-0.800112.8D181 Q182 S188 R189D181-Q185 WeakPolarHBondContact O-CB 3.01Å; D181-Q185 VanDerWaalsContact O-CG 3.29Å; D181-Q185 WeakPolarHBondContact O-CG 3.28Å; D181-Q185 PolarHBondContact O-N 3.12Å; Q182-Q185 PolarHBondContact O-N 2.83Å; Q185-S188 WeakPolarHBondContact CA-OG 3.18Å; Q185-S188 PolarHBondContact O-OG 3.09Å; Q185-S188 VanDerWaalsContact O-OG 3.14Å; Q185-R189 WeakPolarHBondContact O-CB 3.09Å; Q185-R189 WeakPolarHBondContact O-CG 3.34Å; Q185-R189 PolarHBondContact O-N 3.09Å; Q185-R189 VanDerWaalsContact O-N 3.14Å
186M64.2Low63.8Low134 Ų134126.3 Ų126.366%0.6660%0.601SS**Hα-helixtrans-66.3-43.4173.1-71.4-95.8-113.700111.4Q182 R183 L190Q182-M186 VanDerWaalsContact O-CG 3.23Å; Q182-M186 WeakPolarHBondContact O-CG 3.4Å; Q182-M186 PolarHBondContact O-N 3.15Å; R183-M186 PolarHBondContact O-N 3.43Å; M186-L190 PolarHBondContact O-N 3.29Å; M186-L190 VanDerWaalsContact O-N 3.12Å
187L68.1Low62.8Low110 Ų110130 Ų13058%0.57662%0.615SS**Hα-helixtrans-69.8-39.2178.4-75.4169.1000112.7R183 Q184 R189 L190 H191R183-L187 WeakPolarHBondContact O-CB 3.25Å; R183-L187 WeakPolarHBondContact O-CG 3.25Å; R183-L187 PolarHBondContact O-N 3.46Å; Q184-L187 PolarHBondContact O-N 3.3Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-L190 WeakPolarHBondContact O-CB 3.44Å; L187-L190 PolarHBondContact O-N 2.72Å; L187-H191 PolarHBondContact O-N 3.08Å
188S64.8Low61.5Low66 Ų66130.8 Ų130.846%0.46262%0.62SS.*Hα-helixtrans-68.1-34.9177.462.50000112Q184 Q185 H191 Y192Q184-S188 VanDerWaalsContact O-CB 3.26Å; Q184-S188 WeakPolarHBondContact O-CB 3.39Å; Q184-S188 PolarHBondContact O-N 2.69Å; Q184-S188 PolarHBondContact O-OG 3.1Å; Q185-S188 WeakPolarHBondContact CA-OG 3.18Å; Q185-S188 PolarHBondContact O-OG 3.09Å; Q185-S188 VanDerWaalsContact O-OG 3.14Å; S188-H191 PolarHBondContact O-N 3.27Å; S188-Y192 PolarHBondContact O-N 3.32Å
189R60.3Low60.6Low199 Ų199126.5 Ų126.575%0.75162%0.617SS**Hα-helixtrans-63-40.1169.3-83.3-174.3152.6141.7-2.3112.8Q185 L187 S193Q185-R189 WeakPolarHBondContact O-CB 3.09Å; Q185-R189 WeakPolarHBondContact O-CG 3.34Å; Q185-R189 PolarHBondContact O-N 3.09Å; Q185-R189 VanDerWaalsContact O-N 3.14Å; L187-R189 VanDerWaalsContact C-N 3.35Å; R189-S193 WeakPolarHBondContact O-CB 3.31Å; R189-S193 PolarHBondContact O-N 3.21Å; R189-S193 VanDerWaalsContact O-N 3.08Å
190L61.3Low59.1Low127 Ų127131.4 Ų131.467%0.66563%0.634SS**Hα-helixtrans-65.8-42175.7-149.888000111.5M186 L187 S193 F194M186-L190 PolarHBondContact O-N 3.29Å; M186-L190 VanDerWaalsContact O-N 3.12Å; L187-L190 WeakPolarHBondContact O-CB 3.44Å; L187-L190 PolarHBondContact O-N 2.72Å; L190-S193 PolarHBondContact O-N 2.02Å; L190-F194 PolarHBondContact O-N 3.16Å
191H57Low57.9Low129 Ų129136.5 Ų136.560%0.59765%0.654SS**Hα-helixtrans-68.7-35.5-179.7-135.4-87000112.5L187 S188 F194 H195L187-H191 PolarHBondContact O-N 3.08Å; S188-H191 PolarHBondContact O-N 3.27Å; H191-F194 PolarHBondContact O-N 2.79Å; H191-H195 PolarHBondContact O-N 3.09Å; H191-H195 VanDerWaalsContact O-N 3.11Å
192Y57.1Low56.4Low202 Ų202136.1 Ų136.179%0.79267%0.667SS**Hα-helixtrans-69.6-37.6173.5-127.6-87000112.1S188 F194 G196S188-Y192 PolarHBondContact O-N 3.32Å; Y192-F194 VanDerWaalsContact C-N 3.3Å; Y192-F194 PolarHBondContact O-N 3.15Å; Y192-G196 PolarHBondContact O-N 3.19Å
193S57.9Low54.9Low85 Ų85139.3 Ų139.359%0.59468%0.682SS**Hα-helixtrans-65.6-33.1174.8-167.10000112.3R189 L190R189-S193 WeakPolarHBondContact O-CB 3.31Å; R189-S193 PolarHBondContact O-N 3.21Å; R189-S193 VanDerWaalsContact O-N 3.08Å; L190-S193 PolarHBondContact O-N 2.02Å
194F55.8Low53.8Low145 Ų145137 Ų13764%0.63669%0.688SS**Hα-helixtrans-77.2-37.2179.3-162.4-100.8000112.5L190 H191 Y192L190-F194 PolarHBondContact O-N 3.16Å; H191-F194 PolarHBondContact O-N 2.79Å; Y192-F194 VanDerWaalsContact C-N 3.3Å; Y192-F194 PolarHBondContact O-N 3.15Å
195H53.6Low52.2Low129 Ų129135.1 Ų135.160%0.59769%0.694SS**Hα-helixtrans-78.1-19179.3-113.5-74.9000114.5H191 H197H191-H195 PolarHBondContact O-N 3.09Å; H191-H195 VanDerWaalsContact O-N 3.11Å; H195-H197 VanDerWaalsContact C-N 3.25Å; H195-H197 PolarHBondContact O-N 2.84Å
196G47Very low51Low56 Ų56137.8 Ų137.858%0.57770%0.704SS**THydrogen-bonded Turntrans-71.7-12.7175.200000115Y192Y192-G196 PolarHBondContact O-N 3.19Å
197H48.6Very low50Low168 Ų168139.4 Ų139.478%0.77871%0.714SS**THydrogen-bonded Turntrans-95.8-9.1-175.4-106-87.4000115.2H195H195-H197 VanDerWaalsContact C-N 3.25Å; H195-H197 PolarHBondContact O-N 2.84Å
198H47Very low48.4Very low151 Ų151139.9 Ų139.970%0.69972%0.718SS**SBendtrans-98.4-4.1-176.8-88.3-82000115.1
199T48.8Very low47.4Very low112 Ų112145.1 Ų145.169%0.68774%0.74SS**SBendtrans-120.558.6-179.966.40000112.2
200K38.3Very low46.5Very low203 Ų203143.4 Ų143.488%0.88374%0.74SS**  trans-161.8105.2156.9-105.1156.4-169.2-175.40109.9G202K200-G202 PolarHBondContact O-N 3.4Å
201K46Very low45.3Very low224 Ų224143.2 Ų143.297%0.97475%0.748SS**  trans-55.5126.6158.3-95.5175.8170.7174.80108.2
202G42.6Very low44.3Very low64 Ų64146.4 Ų146.466%0.6677%0.765SS**  trans137.7109.2156.600000115.6K200K200-G202 PolarHBondContact O-N 3.4Å
203H34.2Very low43.3Very low184 Ų184143 Ų14385%0.85277%0.765SS**  trans65107.1149.9-76.587.4000120.5
204V43Very low42.5Very low137 Ų137144.2 Ų144.283%0.8377%0.771SS**  36101.9127.4-171.30000117
205A34.5Very low41.7Very low89 Ų89143.8 Ų143.874%0.73678%0.78SS**  -165.6121.2119.500000109.7L207A205-L207 PolarHBondContact O-N 3.04Å
206K41.8Very low40.7Very low179 Ų179143.2 Ų143.278%0.77879%0.791SS**  trans-57.9117.7173.4177.1178.3177.6168.60110.3
207L42.2Very low40.2Very low168 Ų168144.2 Ų144.288%0.8880%0.801SS**  trans-127.8119.3156.3-112.193.7000108.2A205A205-L207 PolarHBondContact O-N 3.04Å
208D34.5Very low39.3Very low121 Ų121143.8 Ų143.865%0.64780%0.799SS**  trans-61.5127.3-170.3-78.4-35.4000112.7
209L44.3Very low39.2Very low176 Ų176142.8 Ų142.892%0.92180%0.795SS**  trans-95.878.8163179.772.5000107.1
210E40.5Very low38.5Very low163 Ų163144.3 Ų144.376%0.76280%0.798SS**  trans-142.9109.6171.6-110171119.700110.3
211C35.8Very low38.5Very low122 Ų122139.4 Ų139.482%0.82479%0.789SS**  trans150.486.7136.7-82.80000112.6
212M36.6Very low37.9Very low196 Ų196134.4 Ų134.497%0.96678%0.78SS**  trans-128.484.2139.5-80-174.987.900107.3
213V36.6Very low38.1Very low131 Ų131138.7 Ų138.779%0.79479%0.788SS**  trans-134.5132.3164.1-179.60000106.4
214P41.2Very low38.5Very low110 Ų110135.6 Ų135.671%0.71478%0.782SS**  trans-83.8158.1175.735.4-31.3000110.3
215V37.9Very low38.5Very low137 Ų137134.5 Ų134.583%0.8378%0.779SS**  trans87.891.2165.5-1670000115.8
216S33.5Very low38.8Very low117 Ų117136.4 Ų136.482%0.81878%0.777SS**  172.2154.8106.547.20000108.4
217G35.6Very low38.6Very low76 Ų76137.1 Ų137.178%0.78478%0.78SS**  trans-65.6-177.8-161.800000117.2
218H30.9Very low38.4Very low159 Ų159138 Ų13874%0.73678%0.781SS**  trans91.3103.3167.4-140.248.3000116.3
219E43.6Very low38.8Very low131 Ų131142.8 Ų142.861%0.61279%0.791SS**  trans15.6134.814465.6-152.6-143.100121.9
220N35.3Very low38.6Very low143 Ų143143.1 Ų143.177%0.76579%0.787SS**  trans123.391.5142.8-57.3-33.4000116.1
221C37.1Very low38.1Very low101 Ų101140.3 Ų140.368%0.68279%0.792SS**  69.2117.7127.1-154.30000120.2
222C33.2Very low37.9Very low118 Ų118142.8 Ų142.880%0.79779%0.791SS**  trans-125.7116.8147.1-107.80000109.6T224C222-T224 PolarHBondContact O-N 2.79Å
223L47.6Very low38.1Very low155 Ų155138.8 Ų138.881%0.81278%0.78SS**THydrogen-bonded Turntrans-6721.8-169.2-83140.8000116.7
224T42.5Very low37.8Very low118 Ų118136 Ų13672%0.72478%0.778SS**THydrogen-bonded Turntrans-106.8-13.2-173.7-38.80000113.5C222C222-T224 PolarHBondContact O-N 2.79Å
225C44.3Very low37.2Very low115 Ų115134.5 Ų134.578%0.77778%0.782SS**SBendtrans-84.1-12178.6-72.90000114.6
226D39.5Very low36.8Very low128 Ų128133.1 Ų133.168%0.68479%0.786SS**G310 helixtrans-79.7-20-177.9-148.9-107.3000112.8M228 R229D226-M228 VanDerWaalsContact C-N 3.31Å; D226-M228 PolarHBondContact O-N 3.14Å; D226-R229 PolarHBondContact O-N 2.96Å
227K37.6Very low36.6Very low195 Ų195131.3 Ų131.385%0.84879%0.786SS**G310 helixtrans-82.44-174.2-156.9167.8-177.9176.80115.5
228M38.2Very low36.3Very low185 Ų185131.8 Ų131.891%0.91179%0.79SS**G310 helixtrans-110.73.5171.4-73.6-159.9-68.500114D226D226-M228 VanDerWaalsContact C-N 3.31Å; D226-M228 PolarHBondContact O-N 3.14Å
229R42.8Very low36.3Very low223 Ų223127.6 Ų127.684%0.84279%0.79SS**SBendtrans-106.53.2-174.5-150.8173.4173.4163.9-1.1115.7D226D226-R229 PolarHBondContact O-N 2.96Å
230Q40.1Very low35.9Very low183 Ų183127.4 Ų127.486%0.85579%0.793SS**  trans-136.689172.2-69.1-168.927.700112.6
231A30.1Very low35.9Very low104 Ų104128.3 Ų128.386%0.8679%0.79SS**  trans-153.681.5148.600000108.3
232E31.6Very low36.1Very low173 Ų173130 Ų13081%0.80879%0.791SS**  trans-65.4173.3157.6-101.1-87.3104.400110.1
233P41.4Very low36.1Very low112 Ų112131.9 Ų131.973%0.72779%0.792SS**  cis-132.7164.2-4.437-19.8000114.3
234G29Very low35.4Very low73 Ų73129 Ų12975%0.75379%0.785SS**  trans136.4105.8147.500000117.3
235G30Very low35.2Very low78 Ų78130.5 Ų130.580%0.80479%0.788SS**  trans96.2108.213800000117.8
236A29.9Very low35.1Very low109 Ų109131.4 Ų131.490%0.90179%0.789SS**  trans70.4113.114400000119.8
237G29.3Very low34.9Very low79 Ų79132.8 Ų132.881%0.81479%0.792SS**  101.9119.9122.800000118
238G28.8Very low34.8Very low86 Ų86134.3 Ų134.389%0.88779%0.792SS**  trans77.6127.3157.600000113.9
239G30.4Very low34.5Very low70 Ų70129 Ų12972%0.72278%0.784SS**  cis130.3125.333.600000106
240D34.7Very low34Very low128 Ų128127.3 Ų127.368%0.68479%0.789SS**  trans72.6110.6154.7-74.35.1000120.1
241K36Very low33.7Very low161 Ų161130 Ų13070%0.779%0.792SS**  106.4129.6105.6-88.4176.2-171.7140.60118.9
242I40.9Very low34Very low138 Ų138130.9 Ų130.971%0.70879%0.792SS**  trans85.1119.3138.8-61.6156.9000115.7
243L34Very low34.1Very low157 Ų157125.8 Ų125.882%0.82279%0.786SS**  -166.1115.8116.1-88.5176000106.2
244S31.8Very low33.7Very low94 Ų94130.1 Ų130.166%0.65780%0.796SS**  94.8120.287.8-174.60000110.8
245L39Very low33.9Very low149 Ų149130 Ų13078%0.7880%0.795SS**  -176.8109.2119.1-143.767.7000111.1
246V41.6Very low34Very low134 Ų134134.1 Ų134.181%0.81279%0.791SS**  trans-90.7112.1157.4176.70000105.9
247H35.4Very low34.6Very low158 Ų158137.1 Ų137.173%0.73179%0.791SS**  trans-104116.5174.4-176.7-74000109.6
248W36Very low34.8Very low227 Ų227140.1 Ų140.186%0.8678%0.783SS**  trans-67.1129.7173.9-91.268.2000111.2
249G32.6Very low34.9Very low72 Ų72146 Ų14674%0.74279%0.785SS**  trans-79.6131.3176.900000112.3
250M32Very low35Very low189 Ų189152.9 Ų152.993%0.93181%0.812SS**  trans-117.1112.6170.6-154.3163.57400106.5
251Y34.1Very low35Very low239 Ų239154.1 Ų154.194%0.93782%0.819SS**  trans-93.3119.5-179.3-119.8-94.8000109.5
252S34.9Very low35Very low122 Ų122153.7 Ų153.785%0.85383%0.825SS**  trans-143.9130.1165.71760000107.8
253G33.3Very low34.6Very low66 Ų66154.6 Ų154.668%0.6883%0.832SS**  trans118.986162.800000117
254H34Very low34.7Very low204 Ų204154.5 Ų154.594%0.94483%0.832SS**  40.9118.5123.2-134.2-97.5000119.9
255G33.8Very low34.8Very low70 Ų70158.3 Ų158.372%0.72284%0.843SS**  trans149.3107.1147.500000118.1
256K31.9Very low34.6Very low164 Ų164158.9 Ų158.971%0.71385%0.847SS**  trans91.191.2148.9-133.4177.6-167-138.50118.8E258K256-E258 VanDerWaalsContact CE-CD 3.44Å; K256-E258 WeakPolarHBondContact CE-OE1 3.3Å; K256-E258 HydrophobicContact CG-CG 4.26Å; K256-E258 IonicContact NZ-OE1 3.62Å; K256-E258 PolarHBondContact NZ-OE1 3.29Å; K256-E258 IonicContact NZ-OE2 3.56Å; K256-E258 PolarHBondContact NZ-OE2 2.84Å
257L42.7Very low34.1Very low172 Ų172160.6 Ų160.690%0.90185%0.85SS**  trans-74.4128.2144.9-83.4127.2000108.5
258E32.7Very low34Very low142 Ų142160.8 Ų160.866%0.66486%0.859SS**  trans-136.2116.7153.3-76.5-177.3166.800108.5K256K256-E258 VanDerWaalsContact CE-CD 3.44Å; K256-E258 WeakPolarHBondContact CE-OE1 3.3Å; K256-E258 HydrophobicContact CG-CG 4.26Å; K256-E258 IonicContact NZ-OE1 3.62Å; K256-E258 PolarHBondContact NZ-OE1 3.29Å; K256-E258 IonicContact NZ-OE2 3.56Å; K256-E258 PolarHBondContact NZ-OE2 2.84Å
259F31.7Very low33.8Very low210 Ų210155.3 Ų155.392%0.92186%0.859SS**  trans-123.9128.5153.2-100.1-84.4000105.5
260V32.1Very low33.9Very low214 Ų214162.9 Ų162.9100%1.29787%0.869SS**  trans80.80-171.4-171.70000115.1

Retrieved 260 of 260 residues in 357.8 ms (Link to these results)