A0A060WWR4_ONCMY Loading...

BMP and activin membrane-bound inhibitor homolog

Negatively regulates TGF-beta signaling.

AlphaFold DB , UniProt , Accession A0A060WWR4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene bambia, Length 257 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M51Low69.3Low208 Ų208129.8 Ų129.8100%1.02564%0.641SS**  015.30-83.5129.7121.400111.6
2D55.8Low70.6Confident129 Ų129127.9 Ų127.969%0.6963%0.634SS**Hα-helixtrans-87.2-24-160.3-48.4-73.2000113.2S5 S6D2-S5 PolarHBondContact O-N 3.31Å; D2-S6 PolarHBondContact O-N 3.35Å; D2-S6 VanDerWaalsContact O-N 3.16Å; D2-S6 PolarHBondContact O-OG 3.4Å
3R58.8Low71.5Confident196 Ų196127.2 Ų127.274%0.7463%0.628SS**Hα-helixtrans-72.2-33.7-179.8-166.1156.265.4-162.21.6112.7F7R3-F7 HydrophobicContact CG-CD2 4.4Å; R3-F7 HydrophobicContact CG-CE2 3.78Å; R3-F7 WeakPolarHBondContact O-CD2 3.14Å; R3-F7 PolarHBondContact O-N 3.16Å
4H58.8Low72.6Confident151 Ų151126.4 Ų126.470%0.69963%0.626SS**Hα-helixtrans-72.3-37.2174.5-84.2-93.3000112.2S6 F7 I8H4-S6 VanDerWaalsContact C-N 3.31Å; H4-S6 PolarHBondContact O-N 3.31Å; H4-F7 PolarHBondContact O-N 3.46Å; H4-I8 WeakPolarHBondContact O-CG1 3.45Å; H4-I8 PolarHBondContact O-N 3.46Å
5S62.8Low73.4Confident81 Ų81123.9 Ų123.957%0.56661%0.612SS**Hα-helixtrans-62.1-39.1175.1-169.30000111.8D2 F7 I8 S9D2-S5 PolarHBondContact O-N 3.31Å; S5-F7 PolarHBondContact O-N 3.2Å; S5-I8 PolarHBondContact O-N 3.4Å; S5-S9 WeakPolarHBondContact O-CB 3.24Å; S5-S9 PolarHBondContact O-N 3.28Å
6S70.2Confident74Confident67 Ų67122.6 Ų122.647%0.46961%0.608SS.*Hα-helixtrans-64.5-40.4178-600000112.9D2 H4 S9 I10D2-S6 PolarHBondContact O-N 3.35Å; D2-S6 VanDerWaalsContact O-N 3.16Å; D2-S6 PolarHBondContact O-OG 3.4Å; H4-S6 VanDerWaalsContact C-N 3.31Å; H4-S6 PolarHBondContact O-N 3.31Å; S6-S9 PolarHBondContact O-N 2.88Å; S6-I10 WeakPolarHBondContact O-CD1 3.49Å; S6-I10 VanDerWaalsContact O-CG1 3.23Å; S6-I10 WeakPolarHBondContact O-CG1 3.5Å; S6-I10 PolarHBondContact O-N 3.48Å
7F76.1Confident74.4Confident133 Ų133119.4 Ų119.458%0.58360%0.599SS**Hα-helixtrans-69.1-39.7177.8-72.3-62.3000112.6R3 H4 S5 S9 I10 W11R3-F7 HydrophobicContact CG-CD2 4.4Å; R3-F7 HydrophobicContact CG-CE2 3.78Å; R3-F7 WeakPolarHBondContact O-CD2 3.14Å; R3-F7 PolarHBondContact O-N 3.16Å; H4-F7 PolarHBondContact O-N 3.46Å; S5-F7 PolarHBondContact O-N 3.2Å; F7-S9 VanDerWaalsContact C-N 3.32Å; F7-I10 PolarHBondContact O-N 3.38Å; F7-W11 WeakPolarHBondContact O-CB 3.32Å; F7-W11 PolarHBondContact O-N 3.3Å
8I80.9Confident74.9Confident116 Ų116115.3 Ų115.360%0.59559%0.587SS**Hα-helixtrans-64-41.5176-65.4165.3000110.1H4 S5 W11 L12H4-I8 WeakPolarHBondContact O-CG1 3.45Å; H4-I8 PolarHBondContact O-N 3.46Å; S5-I8 PolarHBondContact O-N 3.4Å; I8-W11 PolarHBondContact O-N 3.48Å; I8-L12 WeakPolarHBondContact O-CB 3.44Å; I8-L12 PolarHBondContact O-N 3.49Å
9S79Confident75Confident69 Ų69114.4 Ų114.448%0.48358%0.581SS.*Hα-helixtrans-63.3-44.2176.1175.30000112.5S5 S6 F7 W11 L12 Q13S5-S9 WeakPolarHBondContact O-CB 3.24Å; S5-S9 PolarHBondContact O-N 3.28Å; S6-S9 PolarHBondContact O-N 2.88Å; F7-S9 VanDerWaalsContact C-N 3.32Å; S9-W11 VanDerWaalsContact C-N 3.32Å; S9-W11 PolarHBondContact O-N 3.08Å; S9-L12 PolarHBondContact O-N 3.14Å; S9-Q13 VanDerWaalsContact O-CB 3.31Å; S9-Q13 WeakPolarHBondContact O-CB 3.44Å; S9-Q13 PolarHBondContact O-N 3.46Å
10I84.4Confident75.2Confident108 Ų108111.2 Ų111.255%0.55457%0.573SS**Hα-helixtrans-63.5-40.2176.8-68.6162.1000111S6 F7 Q13 L14S6-I10 WeakPolarHBondContact O-CD1 3.49Å; S6-I10 VanDerWaalsContact O-CG1 3.23Å; S6-I10 WeakPolarHBondContact O-CG1 3.5Å; S6-I10 PolarHBondContact O-N 3.48Å; F7-I10 PolarHBondContact O-N 3.38Å; I10-Q13 PolarHBondContact O-N 3.47Å; I10-L14 WeakPolarHBondContact O-CB 3.47Å; I10-L14 PolarHBondContact O-N 3.5Å
11W84.4Confident75.3Confident170 Ų170110.9 Ų110.964%0.64458%0.576SS**Hα-helixtrans-66.1-44.4178.7-145.788.4000111.4F7 I8 S9 Q13 L14 E15F7-W11 WeakPolarHBondContact O-CB 3.32Å; F7-W11 PolarHBondContact O-N 3.3Å; I8-W11 PolarHBondContact O-N 3.48Å; S9-W11 VanDerWaalsContact C-N 3.32Å; S9-W11 PolarHBondContact O-N 3.08Å; W11-Q13 VanDerWaalsContact C-N 3.34Å; W11-Q13 PolarHBondContact O-N 3.11Å; W11-L14 PolarHBondContact O-N 3.07Å; W11-E15 HydrophobicContact CE3-CG 3.63Å; W11-E15 HydrophobicContact CH2-CG 4.2Å; W11-E15 VanDerWaalsContact CH2-OE1 3.25Å; W11-E15 WeakPolarHBondContact CH2-OE1 3.36Å; W11-E15 HydrophobicContact CZ3-CG 3.45Å; W11-E15 VanDerWaalsContact CZ3-CG 3.45Å; W11-E15 WeakPolarHBondContact CZ3-OE1 3.3Å; W11-E15 WeakPolarHBondContact O-CG 3.27Å; W11-E15 PolarHBondContact O-N 3.35Å
12L84.4Confident76.2Confident107 Ų107107.5 Ų107.556%0.5656%0.562SS**Hα-helixtrans-63.5-39.4174.9-159.5104.7000111.9I8 S9 L14 E15 L16I8-L12 WeakPolarHBondContact O-CB 3.44Å; I8-L12 PolarHBondContact O-N 3.49Å; S9-L12 PolarHBondContact O-N 3.14Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-E15 PolarHBondContact O-N 2.86Å; L12-L16 HydrophobicContact CD2-CD1 3.85Å; L12-L16 HydrophobicContact CG-CD1 4.26Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CD1 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.7Å
13Q83.4Confident76.6Confident118 Ų118107.9 Ų107.955%0.55156%0.563SS**Hα-helixtrans-62.8-42.4175.6-165.285.5-0.100111S9 I10 W11 L16 C17S9-Q13 VanDerWaalsContact O-CB 3.31Å; S9-Q13 WeakPolarHBondContact O-CB 3.44Å; S9-Q13 PolarHBondContact O-N 3.46Å; I10-Q13 PolarHBondContact O-N 3.47Å; W11-Q13 VanDerWaalsContact C-N 3.34Å; W11-Q13 PolarHBondContact O-N 3.11Å; Q13-L16 PolarHBondContact O-N 2.97Å; Q13-C17 WeakPolarHBondContact O-CB 3.48Å; Q13-C17 PolarHBondContact O-N 3.12Å; Q13-C17 PolarHBondContact O-SG 3.43Å
14L85.9Confident76.9Confident117 Ų117103.2 Ų103.261%0.61356%0.556SS**Hα-helixtrans-66-43.1178.4-174.366000111.6I10 W11 L12 C17 A18I10-L14 WeakPolarHBondContact O-CB 3.47Å; I10-L14 PolarHBondContact O-N 3.5Å; W11-L14 PolarHBondContact O-N 3.07Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L14-C17 PolarHBondContact O-N 2.85Å; L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 2.93Å
15E84.4Confident77.2Confident88 Ų88104.1 Ų104.141%0.41156%0.558SS.*Hα-helixtrans-62.2-44.7173.9-74.8-66.6159.700111.8W11 L12 C17 A18 M19W11-E15 HydrophobicContact CE3-CG 3.63Å; W11-E15 HydrophobicContact CH2-CG 4.2Å; W11-E15 VanDerWaalsContact CH2-OE1 3.25Å; W11-E15 WeakPolarHBondContact CH2-OE1 3.36Å; W11-E15 HydrophobicContact CZ3-CG 3.45Å; W11-E15 VanDerWaalsContact CZ3-CG 3.45Å; W11-E15 WeakPolarHBondContact CZ3-OE1 3.3Å; W11-E15 WeakPolarHBondContact O-CG 3.27Å; W11-E15 PolarHBondContact O-N 3.35Å; L12-E15 PolarHBondContact O-N 2.86Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 3.07Å; E15-A18 PolarHBondContact O-N 3.19Å; E15-M19 WeakPolarHBondContact O-CB 3.27Å; E15-M19 WeakPolarHBondContact O-CG 3.36Å; E15-M19 PolarHBondContact O-N 2.92Å
16L83.4Confident77.2Confident104 Ų104102.7 Ų102.755%0.54556%0.557SS.*Hα-helixtrans-62.7-40.3175-77.7164.6000111.8L12 Q13 A20L12-L16 HydrophobicContact CD2-CD1 3.85Å; L12-L16 HydrophobicContact CG-CD1 4.26Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CD1 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.7Å; Q13-L16 PolarHBondContact O-N 2.97Å; L16-A20 VanDerWaalsContact O-CB 3.24Å; L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 3.36Å
17C81.8Confident77.5Confident67 Ų67103.4 Ų103.445%0.45355%0.553SS.*Hα-helixtrans-65.3-41.7174.4-76.40000111.9Q13 L14 E15 A20 V21Q13-C17 WeakPolarHBondContact O-CB 3.48Å; Q13-C17 PolarHBondContact O-N 3.12Å; Q13-C17 PolarHBondContact O-SG 3.43Å; L14-C17 PolarHBondContact O-N 2.85Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 3.07Å; C17-A20 PolarHBondContact O-N 3.03Å; C17-V21 VanDerWaalsContact O-CG2 3.31Å; C17-V21 WeakPolarHBondContact O-CG2 3.47Å; C17-V21 PolarHBondContact O-N 3.5Å
18A81.8Confident77.8Confident46 Ų4697.6 Ų97.638%0.3853%0.527SS..Hα-helixtrans-62.8-47176.500000111L14 E15 A20 V21 L22L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 2.93Å; E15-A18 PolarHBondContact O-N 3.19Å; A18-A20 VanDerWaalsContact C-N 3.33Å; A18-A20 PolarHBondContact O-N 3.34Å; A18-V21 PolarHBondContact O-N 3.21Å; A18-L22 VanDerWaalsContact O-CG 3.25Å; A18-L22 WeakPolarHBondContact O-CG 3.32Å; A18-L22 PolarHBondContact O-N 3.42Å
19M78.1Confident78.1Confident98 Ų9897.6 Ų97.648%0.48352%0.52SS..Hα-helixtrans-63.6-38.3175.4-68.6-57.5-6500112.1E15 L22 L23E15-M19 WeakPolarHBondContact O-CB 3.27Å; E15-M19 WeakPolarHBondContact O-CG 3.36Å; E15-M19 PolarHBondContact O-N 2.92Å; M19-L22 PolarHBondContact O-N 3.47Å; M19-L22 HydrophobicContact SD-CD1 4.2Å; M19-L23 VanDerWaalsContact O-CB 3.28Å; M19-L23 WeakPolarHBondContact O-CB 3.45Å; M19-L23 WeakPolarHBondContact O-CD1 3.27Å; M19-L23 WeakPolarHBondContact O-CG 3.41Å; M19-L23 PolarHBondContact O-N 2.93Å
20A79.3Confident78.6Confident51 Ų5194.3 Ų94.342%0.42150%0.497SS..Hα-helixtrans-62.5-43.5175.200000111.8L16 C17 A18 L22 L23 T24L16-A20 VanDerWaalsContact O-CB 3.24Å; L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 3.36Å; C17-A20 PolarHBondContact O-N 3.03Å; A18-A20 VanDerWaalsContact C-N 3.33Å; A18-A20 PolarHBondContact O-N 3.34Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L23 CarbonylContact O-C 3.55Å; A20-L23 PolarHBondContact O-N 2.81Å; A20-T24 WeakPolarHBondContact O-CG2 3.23Å; A20-T24 PolarHBondContact O-N 2.79Å
21V77Confident78.8Confident105 Ų10592.4 Ų92.464%0.63648%0.483SS*.Hα-helixtrans-67.1-34.4175.9172.70000111.9C17 A18 L23 T24C17-V21 VanDerWaalsContact O-CG2 3.31Å; C17-V21 WeakPolarHBondContact O-CG2 3.47Å; C17-V21 PolarHBondContact O-N 3.5Å; A18-V21 PolarHBondContact O-N 3.21Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-T24 PolarHBondContact O-OG1 3.37Å
22L69.2Low79.1Confident137 Ų13784.4 Ų84.472%0.71745%0.453SS*.Hα-helixtrans-72-27.4173.9-67.9171.1000112.6A18 M19 A20A18-L22 VanDerWaalsContact O-CG 3.25Å; A18-L22 WeakPolarHBondContact O-CG 3.32Å; A18-L22 PolarHBondContact O-N 3.42Å; M19-L22 PolarHBondContact O-N 3.47Å; M19-L22 HydrophobicContact SD-CD1 4.2Å; A20-L22 VanDerWaalsContact C-N 3.34Å
23L65.4Low79.3Confident136 Ų13682 Ų8271%0.71244%0.441SS*.Hα-helixtrans-89.1-13.8177.8-72.3166000113.4M19 A20 V21 K25M19-L23 VanDerWaalsContact O-CB 3.28Å; M19-L23 WeakPolarHBondContact O-CB 3.45Å; M19-L23 WeakPolarHBondContact O-CD1 3.27Å; M19-L23 WeakPolarHBondContact O-CG 3.41Å; M19-L23 PolarHBondContact O-N 2.93Å; A20-L23 CarbonylContact O-C 3.55Å; A20-L23 PolarHBondContact O-N 2.81Å; V21-L23 VanDerWaalsContact C-N 3.32Å; L23-K25 VanDerWaalsContact C-N 3.29Å; L23-K25 PolarHBondContact O-N 2.96Å
24T64.8Low79.5Confident99 Ų9977.6 Ų77.661%0.60743%0.425SS*.SBendtrans-67.693.216949.50000108.6A20 V21 G26A20-T24 WeakPolarHBondContact O-CG2 3.23Å; A20-T24 PolarHBondContact O-N 2.79Å; V21-T24 PolarHBondContact O-OG1 3.37Å; T24-G26 PolarHBondContact O-N 3.23Å
25K64.1Low79.5Confident169 Ų16977.5 Ų77.574%0.73543%0.431SS*.  trans-58.3110.8168.4-170.6177.8173.879.10106.9L23L23-K25 VanDerWaalsContact C-N 3.29Å; L23-K25 PolarHBondContact O-N 2.96Å
26G63.9Low79.6Confident52 Ų5279.9 Ų79.954%0.53644%0.442SS..PPolyproline II helixtrans-58.5146.9178.200000111T24 I28T24-G26 PolarHBondContact O-N 3.23Å; G26-I28 PolarHBondContact O-N 2.99Å
27E76.2Confident79.8Confident82 Ų8275 Ų7538%0.38342%0.416SS..PPolyproline II helixtrans-62.6125.7166.5-179.5-173.5135.300109.5K45E27-K45 HydrophobicContact CG-CD 4.26Å; E27-K45 HydrophobicContact CG-CG 3.99Å; E27-K45 WeakPolarHBondContact OE1-CD 3.5Å; E27-K45 WeakPolarHBondContact OE1-CE 3.34Å; E27-K45 WeakPolarHBondContact OE1-CG 3.21Å; E27-K45 IonicContact OE1-NZ 2.66Å; E27-K45 PolarHBondContact OE1-NZ 2.86Å; E27-K45 VanDerWaalsContact OE2-CE 3.3Å; E27-K45 WeakPolarHBondContact OE2-CE 3.38Å; E27-K45 IonicContact OE2-NZ 3.87Å; E27-K45 PolarHBondContact OE2-NZ 3.34Å
28I81.4Confident80.2Confident11 Ų1175.5 Ų75.56%0.05642%0.417CS..PPolyproline II helixtrans-81127.9-177.3-67.8177.1000109.6G26 S46 N49 H99G26-I28 PolarHBondContact O-N 2.99Å; I28-S46 PolarHBondContact O-N 3.48Å; I28-N49 HydrophobicContact CD1-CB 3.8Å; I28-N49 WeakPolarHBondContact CD1-O 3.39Å; I28-H99 WeakPolarHBondContact CD1-O 3.39Å
29R87.8Confident80.6Confident115 Ų11578.1 Ų78.143%0.43444%0.439SS..EExtended strand (participates in β ladder)trans-104.7137.4170.3-61.1-174.3178.684.34.4109.4M43 C44 D101 M102R29-M43 HydrophobicContact CB-CE 4.22Å; R29-C44 CarbonylContact C-O 3.59Å; R29-C44 VanDerWaalsContact CA-O 3.32Å; R29-C44 WeakPolarHBondContact CA-O 3.1Å; R29-D101 PolarHBondContact N-OD1 3.4Å; R29-M102 WeakPolarHBondContact O-CA 3.22Å; R29-M102 PolarHBondContact O-N 3.02Å
30C89.1Confident80.9Confident0 Ų077.4 Ų77.40%044%0.44CS..EExtended strand (participates in β ladder)trans-114.1155.9177-51.40000110.3M43 C44 C51 C69C30-M43 WeakPolarHBondContact O-CA 3.41Å; C30-C44 PolarHBondContact N-O 2.87Å; C30-C44 PolarHBondContact O-N 3.3Å; C30-C51 VanDerWaalsContact CA-SG 3.57Å; C30-C51 HydrophobicContact CB-CB 3.57Å; C30-C51 WeakPolarHBondContact CB-SG 3.44Å; C30-C51 WeakPolarHBondContact SG-CA 3.15Å; C30-C51 WeakPolarHBondContact SG-CB 3.38Å; C30-C51 CovalentContact SG-SG 2.02Å; C30-C51 PolarHBondContact SG-SG 2.88Å; C30-C69 VanDerWaalsContact CB-SG 3.52Å
31Y90.2Very high81.4Confident68 Ų6877.3 Ų77.327%0.26744%0.444SS..EExtended strand (participates in β ladder)trans-72.2140.4167.1-176.7-108000110.1Y42 H67 G68 N104 Y105Y31-Y42 WeakPolarHBondContact CA-O 3.32Å; Y31-Y42 WeakPolarHBondContact CD2-O 3.23Å; Y31-Y42 HydrophobicContact CE2-CG 4.33Å; Y31-H67 HydrophobicContact CD1-CB 3.75Å; Y31-H67 AromaticContact CD1-CG 3.89Å; Y31-H67 HydrophobicContact CE1-CB 4.38Å; Y31-H67 CarbonylContact O-C 3.6Å; Y31-G68 WeakPolarHBondContact O-CA 3.23Å; Y31-G68 PolarHBondContact O-N 3Å; Y31-N104 WeakPolarHBondContact CB-OD1 3.23Å; Y31-N104 PolarHBondContact N-OD1 3.21Å; Y31-N104 PolarHBondContact O-ND2 2.91Å; Y31-Y105 HydrophobicContact CD1-CD2 4.4Å; Y31-Y105 AromaticContact CD2-CD2 3.77Å; Y31-Y105 HydrophobicContact CD2-CD2 3.77Å; Y31-Y105 HydrophobicContact CD2-CE2 4.27Å; Y31-Y105 HydrophobicContact CE2-CD2 4.17Å; Y31-Y105 HydrophobicContact CE2-CE2 4.25Å; Y31-Y105 AromaticContact CG-CD2 3.9Å; Y31-Y105 HydrophobicContact CG-CD2 3.9Å
32C90.1Very high81.9Confident3 Ų377.2 Ų77.22%0.0243%0.433CS..  trans-142.4122.8-176.5172.70000111.1C37 Y42 C44 H67C32-C37 HydrophobicContact CB-CB 3.54Å; C32-C37 WeakPolarHBondContact CB-SG 3.31Å; C32-C37 WeakPolarHBondContact SG-CB 3.43Å; C32-C37 CovalentContact SG-SG 2.03Å; C32-C37 PolarHBondContact SG-SG 2.81Å; C32-Y42 PolarHBondContact N-O 3.29Å; C32-Y42 CarbonylContact O-C 3.58Å; C32-Y42 WeakPolarHBondContact O-CA 3.39Å; C32-Y42 WeakPolarHBondContact O-CB 3.34Å; C32-Y42 VanDerWaalsContact O-CD1 3.3Å; C32-Y42 WeakPolarHBondContact O-CD1 3.5Å; C32-C44 HydrophobicContact CB-CB 3.96Å; C32-H67 WeakPolarHBondContact CA-O 3.26Å
33D88.7Confident82.9Confident57 Ų5774.3 Ų74.331%0.30542%0.417SS..  trans-91.1-6.9-179.565.7-38.9000113.6T66 H67D33-T66 WeakPolarHBondContact OD1-CG2 3.38Å; D33-T66 VanDerWaalsContact OD2-CA 3.3Å; D33-T66 WeakPolarHBondContact OD2-CA 3.46Å; D33-T66 PolarHBondContact OD2-OG1 3.37Å; D33-T66 VanDerWaalsContact OD2-OG1 3.05Å; D33-H67 PolarHBondContact N-O 3.45Å; D33-H67 PolarHBondContact OD1-N 2.89Å
34A86.6Confident84Confident25 Ų2568.7 Ų68.721%0.20739%0.389CS..SBendtrans-68.1150.1-177.900000112.7H36 C37A34-H36 WeakPolarHBondContact CB-CE1 3.28Å; A34-H36 WeakPolarHBondContact CB-ND1 3.26Å; A34-H36 PolarHBondContact O-N 3.42Å; A34-H36 VanDerWaalsContact O-N 3.12Å; A34-C37 WeakPolarHBondContact O-CB 3.34Å; A34-C37 PolarHBondContact O-N 2.84Å
35P87Confident85.1Confident115 Ų11569.2 Ų69.275%0.74738%0.383SS*.G310 helixtrans-61.8-27.5-175.223.7-34.5000113.6C37 V38P35-C37 PolarHBondContact O-N 3.2Å; P35-V38 WeakPolarHBondContact O-CG2 3.33Å; P35-V38 PolarHBondContact O-N 2.83Å
36H85.5Confident85.8Confident138 Ų13861.2 Ų61.264%0.63935%0.348SS*.G310 helixtrans-69-22.6176.466.3-95.7000112.9A34A34-H36 WeakPolarHBondContact CB-CE1 3.28Å; A34-H36 WeakPolarHBondContact CB-ND1 3.26Å; A34-H36 PolarHBondContact O-N 3.42Å; A34-H36 VanDerWaalsContact O-N 3.12Å
37C88.7Confident86.6Confident1 Ų163.7 Ų63.71%0.00735%0.349CS..G310 helixtrans-85.1-5.7179-64.10000113.2C32 A34 P35 A39 T40 G41 Y42C32-C37 HydrophobicContact CB-CB 3.54Å; C32-C37 WeakPolarHBondContact CB-SG 3.31Å; C32-C37 WeakPolarHBondContact SG-CB 3.43Å; C32-C37 CovalentContact SG-SG 2.03Å; C32-C37 PolarHBondContact SG-SG 2.81Å; A34-C37 WeakPolarHBondContact O-CB 3.34Å; A34-C37 PolarHBondContact O-N 2.84Å; P35-C37 PolarHBondContact O-N 3.2Å; C37-A39 PolarHBondContact O-N 3.11Å; C37-T40 WeakPolarHBondContact CA-OG1 3.32Å; C37-T40 CarbonylContact O-C 3.58Å; C37-T40 PolarHBondContact O-N 3.32Å; C37-T40 PolarHBondContact O-OG1 2.82Å; C37-G41 PolarHBondContact O-N 2.82Å; C37-Y42 WeakPolarHBondContact O-CA 3.3Å; C37-Y42 PolarHBondContact O-N 3.41Å
38V89.8Confident86.5Confident77 Ų7763 Ų6347%0.46735%0.348SS..G310 helixtrans-65.2-41-179.7177.10000111.3P35 T40 G41 Y42P35-V38 WeakPolarHBondContact O-CG2 3.33Å; P35-V38 PolarHBondContact O-N 2.83Å; V38-T40 PolarHBondContact O-N 2.82Å; V38-G41 PolarHBondContact O-N 2.94Å; V38-G41 VanDerWaalsContact O-N 3.13Å; V38-Y42 HydrophobicContact CG2-CE1 4.03Å
39A89.1Confident86.4Confident102 Ų10265.1 Ų65.184%0.84336%0.359SS*.G310 helixtrans-65.3-21.8178.800000113.1C37C37-A39 PolarHBondContact O-N 3.11Å
40T86.1Confident86.2Confident83 Ų8359.8 Ų59.851%0.50934%0.34SS..G310 helixtrans-1028.4179.1560000112.8C37 V38 M43C37-T40 WeakPolarHBondContact CA-OG1 3.32Å; C37-T40 CarbonylContact O-C 3.58Å; C37-T40 PolarHBondContact O-N 3.32Å; C37-T40 PolarHBondContact O-OG1 2.82Å; V38-T40 PolarHBondContact O-N 2.82Å; T40-M43 WeakPolarHBondContact CB-O 3.27Å; T40-M43 PolarHBondContact OG1-O 2.8Å
41G88.1Confident86.1Confident49 Ų4959.8 Ų59.851%0.50534%0.34SS..THydrogen-bonded Turntrans77.835.3178.200000114.5C37 V38 M43C37-G41 PolarHBondContact O-N 2.82Å; V38-G41 PolarHBondContact O-N 2.94Å; V38-G41 VanDerWaalsContact O-N 3.13Å; G41-M43 PolarHBondContact O-N 3.44Å
42Y89.3Confident86Confident103 Ų10358.3 Ų58.340%0.40434%0.335SS..SBendtrans62.429.6-174.9-59.9-87.7000113.5Y31 C32 C37 V38Y31-Y42 WeakPolarHBondContact CA-O 3.32Å; Y31-Y42 WeakPolarHBondContact CD2-O 3.23Å; Y31-Y42 HydrophobicContact CE2-CG 4.33Å; C32-Y42 PolarHBondContact N-O 3.29Å; C32-Y42 CarbonylContact O-C 3.58Å; C32-Y42 WeakPolarHBondContact O-CA 3.39Å; C32-Y42 WeakPolarHBondContact O-CB 3.34Å; C32-Y42 VanDerWaalsContact O-CD1 3.3Å; C32-Y42 WeakPolarHBondContact O-CD1 3.5Å; C37-Y42 WeakPolarHBondContact O-CA 3.3Å; C37-Y42 PolarHBondContact O-N 3.41Å; V38-Y42 HydrophobicContact CG2-CE1 4.03Å
43M89.9Confident85.8Confident75 Ų7558.7 Ų58.737%0.36934%0.337SS..EExtended strand (participates in β ladder)trans-121135.6179.4-58.3176.577.400109.6R29 C30 T40 G41 M102R29-M43 HydrophobicContact CB-CE 4.22Å; C30-M43 WeakPolarHBondContact O-CA 3.41Å; T40-M43 WeakPolarHBondContact CB-O 3.27Å; T40-M43 PolarHBondContact OG1-O 2.8Å; G41-M43 PolarHBondContact O-N 3.44Å; M43-M102 HydrophobicContact CE-SD 4.08Å
44C87.7Confident85.5Confident19 Ų1961.4 Ų61.413%0.12835%0.346CS..EExtended strand (participates in β ladder)trans-123153.5172.162.50000110.2R29 C30 C32 C69R29-C44 CarbonylContact C-O 3.59Å; R29-C44 VanDerWaalsContact CA-O 3.32Å; R29-C44 WeakPolarHBondContact CA-O 3.1Å; C30-C44 PolarHBondContact N-O 2.87Å; C30-C44 PolarHBondContact O-N 3.3Å; C32-C44 HydrophobicContact CB-CB 3.96Å; C44-C69 HydrophobicContact CB-CB 3.88Å; C44-C69 WeakPolarHBondContact CB-SG 3Å; C44-C69 PolarHBondContact O-SG 3.19Å; C44-C69 VanDerWaalsContact SG-CA 3.59Å; C44-C69 WeakPolarHBondContact SG-CB 2.9Å; C44-C69 PolarHBondContact SG-N 2.82Å; C44-C69 CovalentContact SG-SG 2.03Å; C44-C69 PolarHBondContact SG-SG 3.46Å
45K87.1Confident85.2Confident109 Ų10961.4 Ų61.447%0.47434%0.343SS..EExtended strand (participates in β ladder)trans-94.4126.3172.4171.3-175.3-175.6145.70108.2E27 C69E27-K45 HydrophobicContact CG-CD 4.26Å; E27-K45 HydrophobicContact CG-CG 3.99Å; E27-K45 WeakPolarHBondContact OE1-CD 3.5Å; E27-K45 WeakPolarHBondContact OE1-CE 3.34Å; E27-K45 WeakPolarHBondContact OE1-CG 3.21Å; E27-K45 IonicContact OE1-NZ 2.66Å; E27-K45 PolarHBondContact OE1-NZ 2.86Å; E27-K45 VanDerWaalsContact OE2-CE 3.3Å; E27-K45 WeakPolarHBondContact OE2-CE 3.38Å; E27-K45 IonicContact OE2-NZ 3.87Å; E27-K45 PolarHBondContact OE2-NZ 3.34Å; K45-C69 VanDerWaalsContact C-SG 3.52Å
46S80.5Confident84.4Confident2 Ų260.6 Ų60.61%0.01433%0.332CS..  trans-97117.5175.1176.10000110.5I28 L48 N49 A50I28-S46 PolarHBondContact O-N 3.48Å; S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.32Å; S46-L48 PolarHBondContact OG-N 3.41Å; S46-N49 PolarHBondContact O-N 2.92Å; S46-N49 PolarHBondContact OG-N 3.18Å; S46-A50 WeakPolarHBondContact CB-O 3.44Å; S46-A50 PolarHBondContact OG-N 2.88Å; S46-A50 PolarHBondContact OG-O 3.26Å
47D79.1Confident83.7Confident104 Ų10457.2 Ų57.256%0.55632%0.319SS*.THydrogen-bonded Turntrans-68.4-28.7172.9-67.1-28.5000112.2N49 P72D47-N49 VanDerWaalsContact C-N 3.3Å; D47-N49 PolarHBondContact O-N 2.89Å; D47-P72 HydrophobicContact CB-CG 4.49Å
48L74.5Confident82.5Confident68 Ų6861 Ų6136%0.35634%0.343SS..THydrogen-bonded Turntrans-87.810.7176.4-64.6177.8000114S46 A50 L70 A77S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.32Å; S46-L48 PolarHBondContact OG-N 3.41Å; L48-A50 PolarHBondContact O-N 3.44Å; L48-L70 HydrophobicContact CD1-CB 4.18Å; L48-A77 HydrophobicContact CD1-CB 4.42Å
49N78.8Confident81.2Confident55 Ų5565.5 Ų65.529%0.29436%0.361SS..SBendtrans50.640.1-178.4-74.990.1000113.2I28 S46 D47 H99I28-N49 HydrophobicContact CD1-CB 3.8Å; I28-N49 WeakPolarHBondContact CD1-O 3.39Å; S46-N49 PolarHBondContact O-N 2.92Å; S46-N49 PolarHBondContact OG-N 3.18Å; D47-N49 VanDerWaalsContact C-N 3.3Å; D47-N49 PolarHBondContact O-N 2.89Å; N49-H99 PolarHBondContact O-ND1 3.47Å
50A84.5Confident80.1Confident3 Ų364 Ų643%0.02534%0.339CS..  trans-145.9132.9-173.700000112.1S46 L48 L70 C98S46-A50 WeakPolarHBondContact CB-O 3.44Å; S46-A50 PolarHBondContact OG-N 2.88Å; S46-A50 PolarHBondContact OG-O 3.26Å; L48-A50 PolarHBondContact O-N 3.44Å; A50-L70 HydrophobicContact CB-CD1 3.78Å; A50-C98 WeakPolarHBondContact CA-O 2.97Å
51C87.3Confident79.1Confident0 Ų065.6 Ų65.60%035%0.354CS..EExtended strand (participates in β ladder)trans-102.6152173.6-500000110.1C30 C97 C98 C103 N104C30-C51 VanDerWaalsContact CA-SG 3.57Å; C30-C51 HydrophobicContact CB-CB 3.57Å; C30-C51 WeakPolarHBondContact CB-SG 3.44Å; C30-C51 WeakPolarHBondContact SG-CA 3.15Å; C30-C51 WeakPolarHBondContact SG-CB 3.38Å; C30-C51 CovalentContact SG-SG 2.02Å; C30-C51 PolarHBondContact SG-SG 2.88Å; C51-C97 VanDerWaalsContact O-CA 3.24Å; C51-C97 WeakPolarHBondContact O-CA 3.37Å; C51-C98 PolarHBondContact N-O 3.37Å; C51-C98 PolarHBondContact O-N 2.87Å; C51-C103 VanDerWaalsContact SG-SG 3.69Å; C51-N104 HydrophobicContact CB-CB 4.01Å
52F87.1Confident78Confident37 Ų3769.7 Ų69.716%0.16236%0.364CS..EExtended strand (participates in β ladder)trans-124.4154.3173.279.1-91.5000112.6K54 T66 H67 G68 C69 L70 L95 E96 N104F52-K54 HydrophobicContact CD2-CB 4.19Å; F52-K54 HydrophobicContact CE2-CB 4.25Å; F52-T66 HydrophobicContact CE2-CG2 4.31Å; F52-H67 WeakPolarHBondContact O-CA 3.47Å; F52-G68 WeakPolarHBondContact CD1-O 3.15Å; F52-G68 PolarHBondContact N-O 3.46Å; F52-G68 PolarHBondContact O-N 3.16Å; F52-C69 WeakPolarHBondContact CE1-O 3.32Å; F52-L70 HydrophobicContact CB-CD2 3.98Å; F52-L70 HydrophobicContact CD1-CD2 3.64Å; F52-L70 HydrophobicContact CD1-CG 4.3Å; F52-L70 HydrophobicContact CE1-CD2 4.46Å; F52-L70 HydrophobicContact CG-CD2 4.07Å; F52-L95 HydrophobicContact CB-CD1 4.03Å; F52-L95 HydrophobicContact CD2-CD1 3.77Å; F52-L95 HydrophobicContact CG-CD1 4.24Å; F52-E96 CarbonylContact C-O 3.53Å; F52-E96 WeakPolarHBondContact CA-O 3.32Å; F52-N104 PolarHBondContact O-ND2 3.41Å
53T85.4Confident77Confident11 Ų1165 Ų657%0.06735%0.347CS..EExtended strand (participates in β ladder)trans-131122167.4-60.50000107.7L65 T66 H67 L95 E96 N104T53-L65 HydrophobicContact CG2-CB 4.42Å; T53-L65 HydrophobicContact CG2-CD2 3.78Å; T53-T66 CarbonylContact C-O 3.5Å; T53-T66 WeakPolarHBondContact CA-O 3.38Å; T53-H67 PolarHBondContact OG1-ND1 3.42Å; T53-H67 VanDerWaalsContact OG1-ND1 3.16Å; T53-L95 WeakPolarHBondContact O-CA 3.37Å; T53-E96 PolarHBondContact N-O 3.48Å; T53-E96 PolarHBondContact O-N 3.42Å; T53-N104 WeakPolarHBondContact OG1-CB 3.3Å
54K82.8Confident76.2Confident113 Ų11365.5 Ų65.549%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-120.6131.1-179.9-172.1179.5175.6-179.80109.9F52 L65 T66 M94 L95F52-K54 HydrophobicContact CD2-CB 4.19Å; F52-K54 HydrophobicContact CE2-CB 4.25Å; K54-L65 CarbonylContact O-C 3.55Å; K54-L65 WeakPolarHBondContact O-CA 3.44Å; K54-T66 PolarHBondContact N-O 3.49Å; K54-T66 PolarHBondContact O-N 3.02Å; K54-M94 WeakPolarHBondContact CA-O 3.31Å; K54-L95 HydrophobicContact CB-CD1 3.64Å; K54-L95 HydrophobicContact CD-CD1 4.42Å; K54-L95 HydrophobicContact CG-CD1 4.05Å
55V80.2Confident75.8Confident25 Ų2567.7 Ų67.715%0.15237%0.365CS..EExtended strand (participates in β ladder)trans-88.8132.1170.3-173.20000109.8L65 M94V55-L65 HydrophobicContact CG2-CD2 4.2Å; V55-L65 HydrophobicContact CG2-CG 4.15Å; V55-M94 HydrophobicContact CB-CB 3.85Å; V55-M94 HydrophobicContact CB-CE 3.81Å; V55-M94 HydrophobicContact CB-CG 3.6Å; V55-M94 HydrophobicContact CB-SD 3.37Å; V55-M94 WeakPolarHBondContact CB-SD 3.3Å; V55-M94 HydrophobicContact CG1-CE 3.6Å; V55-M94 HydrophobicContact CG1-CG 4.4Å; V55-M94 HydrophobicContact CG1-SD 3.53Å; V55-M94 VanDerWaalsContact CG1-SD 3.53Å; V55-M94 HydrophobicContact CG2-CB 4.16Å; V55-M94 HydrophobicContact CG2-CE 3.81Å; V55-M94 HydrophobicContact CG2-CG 3.64Å; V55-M94 HydrophobicContact CG2-SD 3.87Å; V55-M94 PolarHBondContact N-O 2.84Å; V55-M94 VanDerWaalsContact N-O 3.09Å
56L70.8Confident75.7Confident99 Ų9964.4 Ų64.452%0.51835%0.354SS..SBendtrans-77.2-34.7-173.7-91.668.6000113.5P64 T66L56-P64 HydrophobicContact CB-CG 4.2Å; L56-P64 HydrophobicContact CD2-CG 4.32Å; L56-P64 PolarHBondContact N-O 3.13Å; L56-P64 VanDerWaalsContact N-O 3.09Å; L56-T66 WeakPolarHBondContact CD1-OG1 3.38Å
57D70.3Confident76Confident67 Ų6765.4 Ų65.436%0.35836%0.359SS..  trans-128.9108.3-179.2173.413000110.6M59 S63D57-M59 VanDerWaalsContact C-N 3.26Å; D57-M59 PolarHBondContact O-N 2.92Å; D57-M59 PolarHBondContact OD1-N 2.97Å; D57-S63 VanDerWaalsContact CB-OG 3.23Å; D57-S63 WeakPolarHBondContact CB-OG 3.42Å; D57-S63 WeakPolarHBondContact O-CB 3.34Å; D57-S63 PolarHBondContact O-OG 2.99Å
58P64Low76.4Confident80 Ų8060.5 Ų60.552%0.51933%0.333SS..THydrogen-bonded Turntrans-75.4-10-176.930-34000114.5M94P58-M94 WeakPolarHBondContact CA-SD 3.01Å; P58-M94 HydrophobicContact CB-SD 3.67Å
59M63.7Low77Confident171 Ų17158 Ų5884%0.84232%0.321SS*.THydrogen-bonded Turntrans-91.8-12-179-71.3-68.9103.700113.5D57D57-M59 VanDerWaalsContact C-N 3.26Å; D57-M59 PolarHBondContact O-N 2.92Å; D57-M59 PolarHBondContact OD1-N 2.97Å
60N64.3Low77Confident71 Ų7156.1 Ų56.138%0.3831%0.311SS..  trans-116.9128.4-180176.442.2000110.7N62 S63N60-N62 PolarHBondContact O-N 3.38Å; N60-S63 VanDerWaalsContact CB-OG 3.32Å; N60-S63 WeakPolarHBondContact CB-OG 3.42Å; N60-S63 WeakPolarHBondContact O-CB 3.31Å; N60-S63 PolarHBondContact O-N 3.36Å; N60-S63 PolarHBondContact O-OG 2.95Å
61S66.1Low76.4Confident116 Ų11660.9 Ų60.981%0.81134%0.336SS*.THydrogen-bonded Turntrans-70.3-15.6-178.754.60000113.4
62N65.7Low75.1Confident136 Ų13664.6 Ų64.673%0.72736%0.36SS*.THydrogen-bonded Turntrans-107.324.1177.4-60.9-62.1000112.7N60N60-N62 PolarHBondContact O-N 3.38Å
63S67.1Low73.6Confident5 Ų570.5 Ų70.54%0.03539%0.392CS..PPolyproline II helixtrans-66142.1-177.4-68.50000112.3D57 N60 L65D57-S63 VanDerWaalsContact CB-OG 3.23Å; D57-S63 WeakPolarHBondContact CB-OG 3.42Å; D57-S63 WeakPolarHBondContact O-CB 3.34Å; D57-S63 PolarHBondContact O-OG 2.99Å; N60-S63 VanDerWaalsContact CB-OG 3.32Å; N60-S63 WeakPolarHBondContact CB-OG 3.42Å; N60-S63 WeakPolarHBondContact O-CB 3.31Å; N60-S63 PolarHBondContact O-N 3.36Å; N60-S63 PolarHBondContact O-OG 2.95Å; S63-L65 WeakPolarHBondContact O-CD1 3.43Å; S63-L65 PolarHBondContact O-N 3.22Å
64P74.3Confident72.3Confident84 Ų8472.6 Ų72.655%0.54541%0.41SS..PPolyproline II helixtrans-59.8134.417723-29.8000109.9L56L56-P64 HydrophobicContact CB-CG 4.2Å; L56-P64 HydrophobicContact CD2-CG 4.32Å; L56-P64 PolarHBondContact N-O 3.13Å; L56-P64 VanDerWaalsContact N-O 3.09Å
65L78.8Confident71Confident66 Ų6673.5 Ų73.535%0.34642%0.42SS..EExtended strand (participates in β ladder)trans-95.9138.4174.3-63.890000108.4T53 K54 V55 S63T53-L65 HydrophobicContact CG2-CB 4.42Å; T53-L65 HydrophobicContact CG2-CD2 3.78Å; K54-L65 CarbonylContact O-C 3.55Å; K54-L65 WeakPolarHBondContact O-CA 3.44Å; V55-L65 HydrophobicContact CG2-CD2 4.2Å; V55-L65 HydrophobicContact CG2-CG 4.15Å; S63-L65 WeakPolarHBondContact O-CD1 3.43Å; S63-L65 PolarHBondContact O-N 3.22Å
66T83.6Confident69.9Low39 Ų3972.5 Ų72.524%0.23942%0.415CS..EExtended strand (participates in β ladder)trans-114.2139.8174.7-76.20000110D33 F52 T53 K54 L56D33-T66 WeakPolarHBondContact OD1-CG2 3.38Å; D33-T66 VanDerWaalsContact OD2-CA 3.3Å; D33-T66 WeakPolarHBondContact OD2-CA 3.46Å; D33-T66 PolarHBondContact OD2-OG1 3.37Å; D33-T66 VanDerWaalsContact OD2-OG1 3.05Å; F52-T66 HydrophobicContact CE2-CG2 4.31Å; T53-T66 CarbonylContact C-O 3.5Å; T53-T66 WeakPolarHBondContact CA-O 3.38Å; K54-T66 PolarHBondContact N-O 3.49Å; K54-T66 PolarHBondContact O-N 3.02Å; L56-T66 WeakPolarHBondContact CD1-OG1 3.38Å
67H87.9Confident69.2Low23 Ų2370.1 Ų70.111%0.10641%0.41CS..EExtended strand (participates in β ladder)trans-127.6146.4-170.5-62.6-86.9000109.9Y31 C32 D33 F52 T53 N104Y31-H67 HydrophobicContact CD1-CB 3.75Å; Y31-H67 AromaticContact CD1-CG 3.89Å; Y31-H67 HydrophobicContact CE1-CB 4.38Å; Y31-H67 CarbonylContact O-C 3.6Å; C32-H67 WeakPolarHBondContact CA-O 3.26Å; D33-H67 PolarHBondContact N-O 3.45Å; D33-H67 PolarHBondContact OD1-N 2.89Å; F52-H67 WeakPolarHBondContact O-CA 3.47Å; T53-H67 PolarHBondContact OG1-ND1 3.42Å; T53-H67 VanDerWaalsContact OG1-ND1 3.16Å; H67-N104 PolarHBondContact CE1-O 2.98Å; H67-N104 VanDerWaalsContact CE1-O 3.31Å; H67-N104 PolarHBondContact ND1-O 3.45Å
68G87.4Confident68.6Low2 Ų272.5 Ų72.52%0.02142%0.422CS..EExtended strand (participates in β ladder)trans179.3-167.3172.800000114.4Y31 F52Y31-G68 WeakPolarHBondContact O-CA 3.23Å; Y31-G68 PolarHBondContact O-N 3Å; F52-G68 WeakPolarHBondContact CD1-O 3.15Å; F52-G68 PolarHBondContact N-O 3.46Å; F52-G68 PolarHBondContact O-N 3.16Å
69C87.4Confident68.7Low16 Ų1673 Ų7311%0.10842%0.419CS..EExtended strand (participates in β ladder)trans-100.4148.2176.3-66.70000109.9C30 C44 K45 F52 D71C30-C69 VanDerWaalsContact CB-SG 3.52Å; C44-C69 HydrophobicContact CB-CB 3.88Å; C44-C69 WeakPolarHBondContact CB-SG 3Å; C44-C69 PolarHBondContact O-SG 3.19Å; C44-C69 VanDerWaalsContact SG-CA 3.59Å; C44-C69 WeakPolarHBondContact SG-CB 2.9Å; C44-C69 PolarHBondContact SG-N 2.82Å; C44-C69 CovalentContact SG-SG 2.03Å; C44-C69 PolarHBondContact SG-SG 3.46Å; K45-C69 VanDerWaalsContact C-SG 3.52Å; F52-C69 WeakPolarHBondContact CE1-O 3.32Å; C69-D71 PolarHBondContact O-N 3.34Å
70L78.1Confident68.9Low15 Ų1565.8 Ų65.88%0.07939%0.386CS..PPolyproline II helixtrans-81.9117.1172.7-62.9175.9000109.5L48 A50 F52 A76 C80L48-L70 HydrophobicContact CD1-CB 4.18Å; A50-L70 HydrophobicContact CB-CD1 3.78Å; F52-L70 HydrophobicContact CB-CD2 3.98Å; F52-L70 HydrophobicContact CD1-CD2 3.64Å; F52-L70 HydrophobicContact CD1-CG 4.3Å; F52-L70 HydrophobicContact CE1-CD2 4.46Å; F52-L70 HydrophobicContact CG-CD2 4.07Å; L70-A76 HydrophobicContact CB-CB 3.88Å; L70-A76 HydrophobicContact CD1-CB 4Å; L70-A76 HydrophobicContact CD2-CB 3.49Å; L70-A76 VanDerWaalsContact CD2-CB 3.49Å; L70-A76 HydrophobicContact CG-CB 3.96Å; L70-C80 HydrophobicContact CD1-CB 4.35Å; L70-C80 WeakPolarHBondContact CD1-SG 3.43Å
71D72.4Confident68.7Low103 Ų10367 Ų6755%0.55140%0.4SS*.PPolyproline II helixtrans-74.1140.5170.3-74.4-35.1000110.3C69 I73 A74C69-D71 PolarHBondContact O-N 3.34Å; D71-I73 PolarHBondContact O-N 2.81Å; D71-I73 VanDerWaalsContact O-N 3.08Å; D71-A74 PolarHBondContact O-N 3.46Å
72P59Low68.1Low78 Ų7865.4 Ų65.451%0.50639%0.389SS..THydrogen-bonded Turntrans-64.8-12.4178.422.7-29.8000114.1D47D47-P72 HydrophobicContact CB-CG 4.49Å
73I55.8Low67.4Low160 Ų16067 Ų6782%0.82139%0.389SS*.THydrogen-bonded Turntrans-87.4-28.3-179.4-55.9169.4000111.4D71D71-I73 PolarHBondContact O-N 2.81Å; D71-I73 VanDerWaalsContact O-N 3.08Å
74A58.3Low66.3Low56 Ų5674 Ų7446%0.46343%0.427SS..SBendtrans-77.6138.4169.800000107.6D71 A76D71-A74 PolarHBondContact O-N 3.46Å; A74-A76 HydrophobicContact CB-CB 4.25Å; A74-A76 PolarHBondContact O-N 3.29Å
75N55.1Low64.7Low131 Ų13175 Ų7570%0.70143%0.431SS*.THydrogen-bonded Turntrans-65.143.7173.7-66.8-33.9000112.5I79N75-I79 VanDerWaalsContact O-CG1 3.32Å; N75-I79 WeakPolarHBondContact O-CG1 3.23Å
76A57.3Low62.7Low4 Ų479.1 Ų79.13%0.03345%0.453CS..Hα-helixtrans-82.2-26.8-168.600000113.1L70 A74 D78 I79 C80L70-A76 HydrophobicContact CB-CB 3.88Å; L70-A76 HydrophobicContact CD1-CB 4Å; L70-A76 HydrophobicContact CD2-CB 3.49Å; L70-A76 VanDerWaalsContact CD2-CB 3.49Å; L70-A76 HydrophobicContact CG-CB 3.96Å; A74-A76 HydrophobicContact CB-CB 4.25Å; A74-A76 PolarHBondContact O-N 3.29Å; A76-D78 PolarHBondContact O-N 3.38Å; A76-I79 PolarHBondContact O-N 3Å; A76-I79 VanDerWaalsContact O-N 3.16Å; A76-C80 PolarHBondContact O-N 2.85Å
77A56.7Low61Low50 Ų5082 Ų8241%0.41348%0.481SS..Hα-helixtrans-58.8-37.2172.600000111.4L48 S81L48-A77 HydrophobicContact CD1-CB 4.42Å; A77-S81 WeakPolarHBondContact O-CB 2.87Å; A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 3.23Å
78D58.6Low59.2Low117 Ų11788.6 Ų88.663%0.62652%0.516SS*.Hα-helixtrans-73.7-35.7176.4-66.9-31.5000111.8A76 S82A76-D78 PolarHBondContact O-N 3.38Å; D78-S82 VanDerWaalsContact O-CB 3.29Å; D78-S82 WeakPolarHBondContact O-CB 3.37Å; D78-S82 PolarHBondContact O-N 3.47Å; D78-S82 VanDerWaalsContact O-N 3.09Å
79I65.2Low57Low89 Ų8992.4 Ų92.446%0.45654%0.543SS..Hα-helixtrans-69.5-37.3-179.4-54.4166.5000111.1N75 A76 L95N75-I79 VanDerWaalsContact O-CG1 3.32Å; N75-I79 WeakPolarHBondContact O-CG1 3.23Å; A76-I79 PolarHBondContact O-N 3Å; A76-I79 VanDerWaalsContact O-N 3.16Å; I79-L95 HydrophobicContact CB-CD2 4.25Å; I79-L95 HydrophobicContact CG2-CD2 3.35Å
80C68.2Low55Low21 Ų21101.3 Ų101.314%0.14258%0.583CS.*Hα-helixtrans-86.3-21.8177.4-62.50000114L70 A76 C97L70-C80 HydrophobicContact CD1-CB 4.35Å; L70-C80 WeakPolarHBondContact CD1-SG 3.43Å; A76-C80 PolarHBondContact O-N 2.85Å; C80-C97 HydrophobicContact CB-CB 3.51Å; C80-C97 WeakPolarHBondContact CB-SG 3.23Å; C80-C97 WeakPolarHBondContact SG-CB 3.35Å; C80-C97 CovalentContact SG-SG 2.02Å; C80-C97 PolarHBondContact SG-SG 3.35Å
81S58.8Low53.4Low96 Ų96104.2 Ų104.267%0.67162%0.616SS**Hα-helixtrans-82.6-19174.4-62.30000113.2A77 K83A77-S81 WeakPolarHBondContact O-CB 2.87Å; A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 3.23Å; S81-K83 PolarHBondContact O-N 2.78Å
82S54.6Low52.4Low83 Ų83105.7 Ų105.758%0.5862%0.623SS**  trans-76.226.2-179.7-160.20000114.2D78 N84D78-S82 VanDerWaalsContact O-CB 3.29Å; D78-S82 WeakPolarHBondContact O-CB 3.37Å; D78-S82 PolarHBondContact O-N 3.47Å; D78-S82 VanDerWaalsContact O-N 3.09Å; S82-N84 PolarHBondContact O-N 2.91Å
83K50.2Low52.1Low169 Ų169106 Ų10674%0.73563%0.627SS**THydrogen-bonded Turntrans-87.432.9178.7-153.7-178-178.6176.20113S81S81-K83 PolarHBondContact O-N 2.78Å
84N44.1Very low52.6Low153 Ų153101.9 Ų101.982%0.81861%0.605SS**THydrogen-bonded Turntrans-140.515.5179-13116.8000117.3S82S82-N84 PolarHBondContact O-N 2.91Å
85T40.3Very low53.4Low104 Ų104102 Ų10264%0.63860%0.598SS**SBendtrans-139.898.4167.655.80000111.1
86N38Very low54.7Low152 Ų152100.5 Ų100.581%0.81359%0.587SS**  trans63.5122147.6-55.9-18.8000117.9L88N86-L88 PolarHBondContact O-N 2.65Å
87A47.9Very low56Low99 Ų99101.7 Ų101.782%0.81859%0.594SS**SBendtrans-45.297.6157.100000111.5
88L50.4Low57.3Low162 Ų162100.8 Ų100.885%0.84859%0.585SS**  trans178.988.7158.3-103.8142.3000110.8N86N86-L88 PolarHBondContact O-N 2.65Å
89S39.7Very low58.6Low82 Ų82100.4 Ų100.457%0.57358%0.579SS**  trans-172.5102.8145.1-89.60000109.7G91 L92 S93S89-G91 PolarHBondContact O-N 3.26Å; S89-L92 PolarHBondContact O-N 3.26Å; S89-S93 PolarHBondContact O-OG 3.41Å
90E46.6Very low59.4Low204 Ų204101.7 Ų101.795%0.95359%0.587SS**THydrogen-bonded Turntrans-62.229.2179.8-73.6171.711900115.3
91G45Very low60.3Low75 Ų75104.6 Ų104.677%0.77360%0.601SS**THydrogen-bonded Turntrans-138.9-6175.400000114.8S89S89-G91 PolarHBondContact O-N 3.26Å
92L51.1Low61.5Low135 Ų135104.1 Ų104.171%0.70759%0.589SS**SBendtrans-118.36.9-176.9-75.9155.3000112.2S89 M94S89-L92 PolarHBondContact O-N 3.26Å; L92-M94 VanDerWaalsContact C-N 3.3Å; L92-M94 PolarHBondContact O-N 2.94Å
93S53.2Low63Low83 Ų83102.4 Ų102.458%0.5858%0.577SS**THydrogen-bonded Turntrans-82.120-153.1-39.60000116.7S89S89-S93 PolarHBondContact O-OG 3.41Å
94M65.9Low64.7Low75 Ų7594.6 Ų94.637%0.36954%0.543SS..THydrogen-bonded Turntrans-152.126.2-171.8-115168.5165.200115.2K54 V55 P58 L92K54-M94 WeakPolarHBondContact CA-O 3.31Å; V55-M94 HydrophobicContact CB-CB 3.85Å; V55-M94 HydrophobicContact CB-CE 3.81Å; V55-M94 HydrophobicContact CB-CG 3.6Å; V55-M94 HydrophobicContact CB-SD 3.37Å; V55-M94 WeakPolarHBondContact CB-SD 3.3Å; V55-M94 HydrophobicContact CG1-CE 3.6Å; V55-M94 HydrophobicContact CG1-CG 4.4Å; V55-M94 HydrophobicContact CG1-SD 3.53Å; V55-M94 VanDerWaalsContact CG1-SD 3.53Å; V55-M94 HydrophobicContact CG2-CB 4.16Å; V55-M94 HydrophobicContact CG2-CE 3.81Å; V55-M94 HydrophobicContact CG2-CG 3.64Å; V55-M94 HydrophobicContact CG2-SD 3.87Å; V55-M94 PolarHBondContact N-O 2.84Å; V55-M94 VanDerWaalsContact N-O 3.09Å; P58-M94 WeakPolarHBondContact CA-SD 3.01Å; P58-M94 HydrophobicContact CB-SD 3.67Å; L92-M94 VanDerWaalsContact C-N 3.3Å; L92-M94 PolarHBondContact O-N 2.94Å
95L75.4Confident66.8Low58 Ų5894.3 Ų94.330%0.30453%0.531SS..EExtended strand (participates in β ladder)trans-102.5121.8169.2-168.177000110.1F52 T53 K54 I79F52-L95 HydrophobicContact CB-CD1 4.03Å; F52-L95 HydrophobicContact CD2-CD1 3.77Å; F52-L95 HydrophobicContact CG-CD1 4.24Å; T53-L95 WeakPolarHBondContact O-CA 3.37Å; K54-L95 HydrophobicContact CB-CD1 3.64Å; K54-L95 HydrophobicContact CD-CD1 4.42Å; K54-L95 HydrophobicContact CG-CD1 4.05Å; I79-L95 HydrophobicContact CB-CD2 4.25Å; I79-L95 HydrophobicContact CG2-CD2 3.35Å
96E81.3Confident68.3Low100 Ų10095.3 Ų95.347%0.46752%0.523SS..EExtended strand (participates in β ladder)trans-113.3132.5174.3-178.8170.6-158.900109.5F52 T53 R106F52-E96 CarbonylContact C-O 3.53Å; F52-E96 WeakPolarHBondContact CA-O 3.32Å; T53-E96 PolarHBondContact N-O 3.48Å; T53-E96 PolarHBondContact O-N 3.42Å; E96-R106 IonicContact OE2-NH2 3.84Å
97C84.5Confident69.5Low29 Ų2989.4 Ų89.420%0.19650%0.499CS..EExtended strand (participates in β ladder)trans-120.5145.5179.3-42.90000111.3C51 C80C51-C97 VanDerWaalsContact O-CA 3.24Å; C51-C97 WeakPolarHBondContact O-CA 3.37Å; C80-C97 HydrophobicContact CB-CB 3.51Å; C80-C97 WeakPolarHBondContact CB-SG 3.23Å; C80-C97 WeakPolarHBondContact SG-CB 3.35Å; C80-C97 CovalentContact SG-SG 2.02Å; C80-C97 PolarHBondContact SG-SG 3.35Å
98C83.5Confident69.6Low31 Ų3192.1 Ų92.121%0.20950%0.498CS..EExtended strand (participates in β ladder)trans-144157.817957.10000111.3A50 C51 C103A50-C98 WeakPolarHBondContact CA-O 2.97Å; C51-C98 PolarHBondContact N-O 3.37Å; C51-C98 PolarHBondContact O-N 2.87Å; C98-C103 VanDerWaalsContact C-SG 3.54Å; C98-C103 HydrophobicContact CB-CB 3.78Å; C98-C103 WeakPolarHBondContact CB-SG 3.33Å; C98-C103 WeakPolarHBondContact SG-CB 3.34Å; C98-C103 CovalentContact SG-SG 2.02Å; C98-C103 PolarHBondContact SG-SG 2.98Å
99H86.1Confident69.6Low108 Ų10891.3 Ų91.350%0.549%0.49SS..  trans-123.223.7-168.4-66.3-76.4000113.6I28 N49I28-H99 WeakPolarHBondContact CD1-O 3.39Å; N49-H99 PolarHBondContact O-ND1 3.47Å
100D83.4Confident70.2Confident117 Ų11790.3 Ų90.363%0.62648%0.478SS*.SBendtrans-113.4155.5176.4-59.9-53.6000110.5M102 C103D100-M102 PolarHBondContact O-N 3.46Å; D100-C103 HydrophobicContact CB-CB 3.98Å; D100-C103 WeakPolarHBondContact O-CB 3.04Å; D100-C103 PolarHBondContact O-N 2.98Å; D100-C103 PolarHBondContact O-SG 3.38Å
101D85.9Confident70.4Confident81 Ų8186.9 Ų86.943%0.43347%0.466SS..THydrogen-bonded Turntrans-60125179-166.762.5000110.9R29 C103R29-D101 PolarHBondContact N-OD1 3.4Å; D101-C103 PolarHBondContact O-N 3.36Å; D101-C103 VanDerWaalsContact O-N 3.11Å
102M85.3Confident70.6Confident87 Ų8786.4 Ų86.443%0.42945%0.454SS..THydrogen-bonded Turntrans5327-178.3-57.3-177.9-71.900114.9R29 M43 D100 N104 Y105R29-M102 WeakPolarHBondContact O-CA 3.22Å; R29-M102 PolarHBondContact O-N 3.02Å; M43-M102 HydrophobicContact CE-SD 4.08Å; D100-M102 PolarHBondContact O-N 3.46Å; M102-N104 PolarHBondContact O-N 3.39Å; M102-Y105 VanDerWaalsContact O-CB 3.3Å; M102-Y105 WeakPolarHBondContact O-CB 3.36Å; M102-Y105 PolarHBondContact O-N 3.45Å
103C84.9Confident70.5Confident47 Ų4785.7 Ų85.732%0.31845%0.447SS..THydrogen-bonded Turntrans-61.8-25.8-177.159.20000114.8C51 C98 D100 D101 Y105C51-C103 VanDerWaalsContact SG-SG 3.69Å; C98-C103 VanDerWaalsContact C-SG 3.54Å; C98-C103 HydrophobicContact CB-CB 3.78Å; C98-C103 WeakPolarHBondContact CB-SG 3.33Å; C98-C103 WeakPolarHBondContact SG-CB 3.34Å; C98-C103 CovalentContact SG-SG 2.02Å; C98-C103 PolarHBondContact SG-SG 2.98Å; D100-C103 HydrophobicContact CB-CB 3.98Å; D100-C103 WeakPolarHBondContact O-CB 3.04Å; D100-C103 PolarHBondContact O-N 2.98Å; D100-C103 PolarHBondContact O-SG 3.38Å; D101-C103 PolarHBondContact O-N 3.36Å; D101-C103 VanDerWaalsContact O-N 3.11Å; C103-Y105 VanDerWaalsContact C-N 3.27Å; C103-Y105 PolarHBondContact O-N 3.38Å
104N87Confident70.1Confident4 Ų485.8 Ų85.82%0.02144%0.444CS..THydrogen-bonded Turntrans-82.6-2.2178.167.6-23.4000113.4Y31 C51 F52 T53 H67 M102 R106Y31-N104 WeakPolarHBondContact CB-OD1 3.23Å; Y31-N104 PolarHBondContact N-OD1 3.21Å; Y31-N104 PolarHBondContact O-ND2 2.91Å; C51-N104 HydrophobicContact CB-CB 4.01Å; F52-N104 PolarHBondContact O-ND2 3.41Å; T53-N104 WeakPolarHBondContact OG1-CB 3.3Å; H67-N104 PolarHBondContact CE1-O 2.98Å; H67-N104 VanDerWaalsContact CE1-O 3.31Å; H67-N104 PolarHBondContact ND1-O 3.45Å; M102-N104 PolarHBondContact O-N 3.39Å; N104-R106 PolarHBondContact O-N 2.82Å
105Y86.4Confident69.2Low147 Ų14793.1 Ų93.158%0.57647%0.468SS*.  trans-79.9100.2174.5-173.8-107.1000110.3Y31 M102 C103 G107Y31-Y105 HydrophobicContact CD1-CD2 4.4Å; Y31-Y105 AromaticContact CD2-CD2 3.77Å; Y31-Y105 HydrophobicContact CD2-CD2 3.77Å; Y31-Y105 HydrophobicContact CD2-CE2 4.27Å; Y31-Y105 HydrophobicContact CE2-CD2 4.17Å; Y31-Y105 HydrophobicContact CE2-CE2 4.25Å; Y31-Y105 AromaticContact CG-CD2 3.9Å; Y31-Y105 HydrophobicContact CG-CD2 3.9Å; M102-Y105 VanDerWaalsContact O-CB 3.3Å; M102-Y105 WeakPolarHBondContact O-CB 3.36Å; M102-Y105 PolarHBondContact O-N 3.45Å; C103-Y105 VanDerWaalsContact C-N 3.27Å; C103-Y105 PolarHBondContact O-N 3.38Å; Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 2.83Å
106R72.8Confident67.8Low125 Ų12598.7 Ų98.747%0.47249%0.492SS..  trans-73.781.4171.4-79.3-174.6162133.79.6110.5E96 N104 D110E96-R106 IonicContact OE2-NH2 3.84Å; N104-R106 PolarHBondContact O-N 2.82Å; R106-D110 WeakPolarHBondContact CD-OD2 3.32Å; R106-D110 HydrophobicContact CG-CB 4.42Å; R106-D110 IonicContact CZ-OD2 2.78Å; R106-D110 IonicContact NE-OD1 3.06Å; R106-D110 IonicContact NE-OD2 3.67Å; R106-D110 PolarHBondContact NE-OD2 2.94Å
107G63.3Low66.1Low29 Ų2999 Ų9930%0.29951%0.506SS..  trans-68.1-179.5161.700000111.5Y105 H109 D110Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 2.83Å; G107-H109 PolarHBondContact O-N 3.26Å; G107-D110 PolarHBondContact O-N 2.84Å
108L49.6Very low64.3Low155 Ų155103.5 Ų103.581%0.81253%0.532SS*.THydrogen-bonded Turntrans-50.5-7.6-179.1-159.370000115.8L111L108-L111 HydrophobicContact CD1-CD1 4.09Å
109H51.4Low62.2Low146 Ų146108.7 Ų108.768%0.67656%0.558SS**THydrogen-bonded Turntrans-68.6-24.6178.7-124.142.6000114.5G107 L111 A112G107-H109 PolarHBondContact O-N 3.26Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 3.31Å; H109-A112 PolarHBondContact O-N 3.21Å
110D51.8Low60.5Low61 Ų61113.9 Ų113.933%0.32658%0.582SS.*Hα-helixtrans-71.8-25.2-177.3-148.735.4000112.5R106 G107 A112 H113 T114R106-D110 WeakPolarHBondContact CD-OD2 3.32Å; R106-D110 HydrophobicContact CG-CB 4.42Å; R106-D110 IonicContact CZ-OD2 2.78Å; R106-D110 IonicContact NE-OD1 3.06Å; R106-D110 IonicContact NE-OD2 3.67Å; R106-D110 PolarHBondContact NE-OD2 2.94Å; G107-D110 PolarHBondContact O-N 2.84Å; D110-A112 PolarHBondContact O-N 3.37Å; D110-H113 PolarHBondContact O-N 3.3Å; D110-T114 PolarHBondContact O-N 2.93Å; D110-T114 VanDerWaalsContact O-N 3.1Å; D110-T114 PolarHBondContact O-OG1 2.66Å
111L51.7Low58.6Low132 Ų132110.2 Ų110.269%0.69157%0.572SS**Hα-helixtrans-69.3-17.1175.3-67.8174000113.7L108 H109L108-L111 HydrophobicContact CD1-CD1 4.09Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 3.31Å
112A48.5Very low56.8Low64 Ų64117.7 Ų117.753%0.52960%0.595SS.*Hα-helixtrans-86.3-29.2177.600000112.4H109 D110H109-A112 PolarHBondContact O-N 3.21Å; D110-A112 PolarHBondContact O-N 3.37Å
113H48.1Very low54.5Low120 Ų120124.5 Ų124.556%0.55662%0.617SS**Hα-helixtrans-103-23-174.5-69.7-56.9000114.4D110 R115D110-H113 PolarHBondContact O-N 3.3Å; H113-R115 PolarHBondContact O-N 3.12Å
114T46.4Very low52.9Low85 Ų85131.4 Ų131.452%0.52165%0.645SS.*THydrogen-bonded Turntrans-70.7-14.3176-46.10000113.4D110D110-T114 PolarHBondContact O-N 2.93Å; D110-T114 VanDerWaalsContact O-N 3.1Å; D110-T114 PolarHBondContact O-OG1 2.66Å
115R45.6Very low51Low229 Ų229136.8 Ų136.886%0.86468%0.68SS**THydrogen-bonded Turntrans-80.8-10.2179.5-96.2-174.1145.4108.40.1115.5H113H113-R115 PolarHBondContact O-N 3.12Å
116E46.9Very low48.9Very low175 Ų175138.5 Ų138.582%0.81869%0.693SS**SBendtrans-99.7-9.6-175.9-15688.5-156.500113.1
117S44.7Very low47.6Very low107 Ų107138.1 Ų138.175%0.74871%0.709SS**SBendtrans-112.25.1-168.4-52.70000116.5
118T47.3Very low47Very low123 Ų123143.3 Ų143.376%0.75573%0.73SS**SBendtrans-134.975.9171.750.80000110.9
119D39.7Very low46.8Very low141 Ų141142.4 Ų142.475%0.75473%0.726SS**  trans-169101.9132.7-142.2-3.8000111.8G121D119-G121 PolarHBondContact O-N 3.06Å; D119-G121 VanDerWaalsContact O-N 3.17Å
120H49.6Very low46.7Very low216 Ų216145.9 Ų145.9100%173%0.733SS**  trans-8174.1153.6-104.9-36.9000107.4
121G43.6Very low46.5Very low41 Ų41148.4 Ų148.442%0.42374%0.743SS.*  trans-145.4109.1-176.900000110.7D119 Y123D119-G121 PolarHBondContact O-N 3.06Å; D119-G121 VanDerWaalsContact O-N 3.17Å; G121-Y123 PolarHBondContact O-N 2.03Å
122R48.5Very low46.6Very low238 Ų238148 Ų14890%0.89874%0.741SS**  trans-38.7107.6173.9-70173.5176.7171.1-1.3112.3
123Y37.8Very low46.8Very low230 Ų230150 Ų15090%0.90275%0.746SS**  trans-162.9130.6144-87.7-69.1000108.7G121 P125G121-Y123 PolarHBondContact O-N 2.03Å; Y123-P125 WeakPolarHBondContact O-CD 3.01Å
124Q51.5Low47.1Very low192 Ų192148.1 Ų148.190%0.89774%0.743SS**  trans-79.5132171.6-176.9157.6-5.300108.8
125P45.7Very low47.3Very low117 Ų117150.1 Ų150.176%0.7674%0.741SS**  trans-133.1161.5149.732.7-16000112.9Y123Y123-P125 WeakPolarHBondContact O-CD 3.01Å
126E41.8Very low47.7Very low183 Ų183143.8 Ų143.886%0.85573%0.728SS**  trans-54.6151.6-163.6-71.3-170.1113.900118.1N128E126-N128 VanDerWaalsContact C-N 3.33Å; E126-N128 PolarHBondContact O-N 3.34Å
127S46.7Very low47.8Very low116 Ų116141.5 Ų141.581%0.81172%0.717SS**THydrogen-bonded Turntrans-65.868.2173.9174.20000113.9
128N50Low48.2Very low139 Ų139141.7 Ų141.774%0.74371%0.706SS**THydrogen-bonded Turntrans-137-17.5168.3-103.7-3000116.6E126E126-N128 VanDerWaalsContact C-N 3.33Å; E126-N128 PolarHBondContact O-N 3.34Å
129N46.7Very low48.5Very low136 Ų136141.9 Ų141.973%0.72770%0.702SS**SBendtrans-93.8-12.9-178-78.4-15.1000115.3H131N129-H131 VanDerWaalsContact C-N 3.28Å; N129-H131 PolarHBondContact O-N 3.21Å
130R47.8Very low49.3Very low218 Ų218138 Ų13882%0.82369%0.689SS**Hα-helixtrans-69-27.2176.7-72.1-177.5170.7173.9-3112.6L132 T134R130-L132 PolarHBondContact O-N 2.86Å; R130-T134 PolarHBondContact O-N 2.91Å; R130-T134 PolarHBondContact O-OG1 2.94Å
131H48.4Very low49.5Very low114 Ų114130.7 Ų130.753%0.52866%0.663SS.*Hα-helixtrans-74.1-25.7-178.6-170.1-97.6000113.2N129 R135N129-H131 VanDerWaalsContact C-N 3.28Å; N129-H131 PolarHBondContact O-N 3.21Å; H131-R135 PolarHBondContact CE1-NH2 2.93Å; H131-R135 PolarHBondContact NE2-NH2 3.21Å; H131-R135 WeakPolarHBondContact O-CG 3.33Å
132L53.9Low50.1Low125 Ų125130.3 Ų130.365%0.65466%0.656SS**Hα-helixtrans-81.1-39179.5-147.982.2000112R130 R135 V136R130-L132 PolarHBondContact O-N 2.86Å; L132-R135 PolarHBondContact O-N 2.82Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.02Å
133V53.2Low50.5Low104 Ų104126.6 Ų126.663%0.6365%0.646SS**Hα-helixtrans-67.7-41.4179.5177.80000111.3R135 V136 Q137V133-R135 VanDerWaalsContact C-N 3.28Å; V133-R135 PolarHBondContact O-N 2.77Å; V133-V136 PolarHBondContact O-N 3.29Å; V133-Q137 WeakPolarHBondContact O-CB 3.38Å; V133-Q137 PolarHBondContact O-N 3.45Å
134T54.1Low51.8Low81 Ų81120.9 Ų120.950%0.49763%0.628SS.*Hα-helixtrans-62.3-36.5174.4-42.20000111.7R130 E138R130-T134 PolarHBondContact O-N 2.91Å; R130-T134 PolarHBondContact O-OG1 2.94Å; T134-E138 VanDerWaalsContact O-CB 3.26Å; T134-E138 WeakPolarHBondContact O-CB 3.4Å; T134-E138 VanDerWaalsContact O-CG 3.31Å; T134-E138 WeakPolarHBondContact O-CG 3.07Å; T134-E138 PolarHBondContact O-N 3.32Å
135R50.3Low52.2Low127 Ų127116.1 Ų116.148%0.47961%0.611SS.*Hα-helixtrans-70.7-39.6178.5-68.3-74.117993.3-0.5112.5H131 L132 V133 E138 L139H131-R135 PolarHBondContact CE1-NH2 2.93Å; H131-R135 PolarHBondContact NE2-NH2 3.21Å; H131-R135 WeakPolarHBondContact O-CG 3.33Å; L132-R135 PolarHBondContact O-N 2.82Å; V133-R135 VanDerWaalsContact C-N 3.28Å; V133-R135 PolarHBondContact O-N 2.77Å; R135-E138 PolarHBondContact O-N 2.84Å; R135-L139 WeakPolarHBondContact O-CD1 3.3Å; R135-L139 PolarHBondContact O-N 3.26Å
136V54.5Low53.4Low97 Ų97119.4 Ų119.459%0.58861%0.609SS**Hα-helixtrans-71-39.2177.61790000111.3L132 V133 E138 L139 A140L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.02Å; V133-V136 PolarHBondContact O-N 3.29Å; V136-E138 VanDerWaalsContact C-N 3.35Å; V136-L139 PolarHBondContact O-N 3.28Å; V136-A140 PolarHBondContact O-N 2.94Å
137Q48.5Very low54.6Low127 Ų127117.8 Ų117.859%0.59360%0.599SS**Hα-helixtrans-65-37.7172.5-170.365.630.900111.7V133 A140 S141V133-Q137 WeakPolarHBondContact O-CB 3.38Å; V133-Q137 PolarHBondContact O-N 3.45Å; Q137-A140 PolarHBondContact O-N 3.46Å; Q137-S141 WeakPolarHBondContact O-CB 3.25Å; Q137-S141 PolarHBondContact O-N 2.88Å
138E52.4Low55.7Low110 Ų110119.8 Ų119.851%0.51459%0.589SS.*Hα-helixtrans-66-38.1171.4-85.1-172.8147.600112.2T134 R135 V136 A142T134-E138 VanDerWaalsContact O-CB 3.26Å; T134-E138 WeakPolarHBondContact O-CB 3.4Å; T134-E138 VanDerWaalsContact O-CG 3.31Å; T134-E138 WeakPolarHBondContact O-CG 3.07Å; T134-E138 PolarHBondContact O-N 3.32Å; R135-E138 PolarHBondContact O-N 2.84Å; V136-E138 VanDerWaalsContact C-N 3.35Å; E138-A142 WeakPolarHBondContact O-CA 3.43Å; E138-A142 WeakPolarHBondContact O-CB 3.24Å; E138-A142 PolarHBondContact O-N 2.88Å
139L53.5Low57Low127 Ų127115.6 Ų115.667%0.66557%0.573SS**Hα-helixtrans-67.1-39.2175.6-94.586.2000112.3R135 V136 K143R135-L139 WeakPolarHBondContact O-CD1 3.3Å; R135-L139 PolarHBondContact O-N 3.26Å; V136-L139 PolarHBondContact O-N 3.28Å; L139-K143 WeakPolarHBondContact O-CB 3.48Å; L139-K143 PolarHBondContact O-N 2.84Å; L139-K143 VanDerWaalsContact O-N 3.08Å
140A57.1Low58.6Low59 Ų59111.1 Ų111.149%0.48856%0.555SS.*Hα-helixtrans-70-44.3176.800000111.9V136 Q137 K143 E144V136-A140 PolarHBondContact O-N 2.94Å; Q137-A140 PolarHBondContact O-N 3.46Å; A140-K143 PolarHBondContact O-N 3.32Å; A140-E144 PolarHBondContact O-N 3.36Å
141S52.8Low60.2Low63 Ų63105 Ų10544%0.44154%0.542SS..Hα-helixtrans-65.1-43.6175.1178.50000111.9Q137 K143 E144 V145Q137-S141 WeakPolarHBondContact O-CB 3.25Å; Q137-S141 PolarHBondContact O-N 2.88Å; S141-K143 VanDerWaalsContact C-N 3.3Å; S141-K143 PolarHBondContact O-N 3.17Å; S141-E144 PolarHBondContact O-N 3.03Å; S141-V145 WeakPolarHBondContact O-CG2 3.28Å; S141-V145 PolarHBondContact O-N 3.37Å
142A57Low61.6Low33 Ų33104.8 Ų104.827%0.27354%0.544SS..Hα-helixtrans-61.4-41.4176.700000110.6E138 E144 V145 W146E138-A142 WeakPolarHBondContact O-CA 3.43Å; E138-A142 WeakPolarHBondContact O-CB 3.24Å; E138-A142 PolarHBondContact O-N 2.88Å; A142-E144 VanDerWaalsContact C-N 3.27Å; A142-E144 PolarHBondContact O-N 2.91Å; A142-V145 CarbonylContact O-C 3.58Å; A142-V145 WeakPolarHBondContact O-CA 3.34Å; A142-V145 PolarHBondContact O-N 3.39Å; A142-W146 VanDerWaalsContact O-CG 3.27Å; A142-W146 PolarHBondContact O-N 3.44Å; A142-W146 PolarHBondContact O-NE1 3.42Å
143K57.3Low62.7Low161 Ų161101.2 Ų101.270%0.753%0.532SS*.Hα-helixtrans-57.4-37.5176.8-171.3172.1178.2166.30112.9L139 A140 S141 F147L139-K143 WeakPolarHBondContact O-CB 3.48Å; L139-K143 PolarHBondContact O-N 2.84Å; L139-K143 VanDerWaalsContact O-N 3.08Å; A140-K143 PolarHBondContact O-N 3.32Å; S141-K143 VanDerWaalsContact C-N 3.3Å; S141-K143 PolarHBondContact O-N 3.17Å; K143-F147 WeakPolarHBondContact O-CB 3.38Å; K143-F147 PolarHBondContact O-N 3.29Å
144E63.4Low64.1Low110 Ų110101 Ų10151%0.51453%0.531SS..Hα-helixtrans-67.7-38.6174.3-163.1-176.515700112A140 S141 A142 F147 R148A140-E144 PolarHBondContact O-N 3.36Å; S141-E144 PolarHBondContact O-N 3.03Å; A142-E144 VanDerWaalsContact C-N 3.27Å; A142-E144 PolarHBondContact O-N 2.91Å; E144-F147 PolarHBondContact O-N 3.08Å; E144-R148 WeakPolarHBondContact O-CG 3.35Å; E144-R148 PolarHBondContact O-N 3.37Å; E144-R148 IonicContact OE1-CZ 3.61Å; E144-R148 IonicContact OE1-NE 2.76Å; E144-R148 IonicContact OE1-NH2 3.55Å; E144-R148 PolarHBondContact OE1-NH2 3.05Å
145V61.3Low65.7Low91 Ų91101.2 Ų101.255%0.55253%0.533SS*.Hα-helixtrans-70-42176.7-179.50000112S141 A142 F147 R148 A149S141-V145 WeakPolarHBondContact O-CG2 3.28Å; S141-V145 PolarHBondContact O-N 3.37Å; A142-V145 CarbonylContact O-C 3.58Å; A142-V145 WeakPolarHBondContact O-CA 3.34Å; A142-V145 PolarHBondContact O-N 3.39Å; V145-F147 VanDerWaalsContact C-N 3.27Å; V145-F147 PolarHBondContact O-N 3.42Å; V145-R148 PolarHBondContact O-N 2.8Å; V145-A149 WeakPolarHBondContact O-CB 3.25Å; V145-A149 PolarHBondContact O-N 3.05Å
146W70.6Confident67.5Low186 Ų186100.1 Ų100.171%0.70554%0.536SS*.Hα-helixtrans-64.3-33.4174.3-58.1116000111.4A142 A150A142-W146 VanDerWaalsContact O-CG 3.27Å; A142-W146 PolarHBondContact O-N 3.44Å; A142-W146 PolarHBondContact O-NE1 3.42Å; W146-A150 WeakPolarHBondContact O-CB 3.42Å; W146-A150 PolarHBondContact O-N 2.82Å
147F67.2Low69.2Low149 Ų14997.8 Ų97.865%0.65453%0.527SS*.Hα-helixtrans-70.8-42.1176.8-166.8-99.5000112K143 E144 V145 A150 V151K143-F147 WeakPolarHBondContact O-CB 3.38Å; K143-F147 PolarHBondContact O-N 3.29Å; E144-F147 PolarHBondContact O-N 3.08Å; V145-F147 VanDerWaalsContact C-N 3.27Å; V145-F147 PolarHBondContact O-N 3.42Å; F147-A150 PolarHBondContact O-N 3.19Å; F147-V151 HydrophobicContact CE1-CG2 4.3Å; F147-V151 WeakPolarHBondContact O-CB 3.34Å; F147-V151 PolarHBondContact O-N 3.26Å
148R70.4Confident71.2Confident159 Ų15993.5 Ų93.560%0.652%0.517SS*.Hα-helixtrans-63.3-41.5172.5-69.2-179.9-171.6-155.15.4111.8E144 V145 I152E144-R148 WeakPolarHBondContact O-CG 3.35Å; E144-R148 PolarHBondContact O-N 3.37Å; E144-R148 IonicContact OE1-CZ 3.61Å; E144-R148 IonicContact OE1-NE 2.76Å; E144-R148 IonicContact OE1-NH2 3.55Å; E144-R148 PolarHBondContact OE1-NH2 3.05Å; V145-R148 PolarHBondContact O-N 2.8Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 2.03Å
149A75.8Confident72.9Confident50 Ų5089.8 Ų89.841%0.41351%0.508SS..Hα-helixtrans-67-40.8175.900000112.3V145 I152 A153V145-A149 WeakPolarHBondContact O-CB 3.25Å; V145-A149 PolarHBondContact O-N 3.05Å; A149-I152 PolarHBondContact O-N 3.13Å; A149-A153 VanDerWaalsContact O-CB 3.23Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 2.98Å
150A81.4Confident74.7Confident43 Ų4389.2 Ų89.236%0.35551%0.505SS..Hα-helixtrans-65.7-42.7177.500000111.8W146 F147 I152 A153 V154W146-A150 WeakPolarHBondContact O-CB 3.42Å; W146-A150 PolarHBondContact O-N 2.82Å; F147-A150 PolarHBondContact O-N 3.19Å; A150-I152 PolarHBondContact O-N 2.96Å; A150-A153 PolarHBondContact O-N 3.2Å; A150-V154 WeakPolarHBondContact O-CB 2.98Å; A150-V154 WeakPolarHBondContact O-CG2 3.09Å; A150-V154 PolarHBondContact O-N 3.39Å
151V81.8Confident76.5Confident88 Ų8891.2 Ų91.253%0.53351%0.507SS..Hα-helixtrans-58.4-30.9175.8145.20000112.5F147 P155F147-V151 HydrophobicContact CE1-CG2 4.3Å; F147-V151 WeakPolarHBondContact O-CB 3.34Å; F147-V151 PolarHBondContact O-N 3.26Å; V151-P155 WeakPolarHBondContact O-CD 3.41Å; V151-P155 VanDerWaalsContact O-CG 3.23Å; V151-P155 WeakPolarHBondContact O-CG 3.39Å
152I76Confident78.4Confident111 Ų11193.3 Ų93.357%0.56951%0.512SS*.Hα-helixtrans-85.9-42.4177.1-62168.3000111.1R148 A149 A150 P155 I156R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 2.03Å; A149-I152 PolarHBondContact O-N 3.13Å; A150-I152 PolarHBondContact O-N 2.96Å; I152-P155 WeakPolarHBondContact O-CD 3.3Å; I152-I156 HydrophobicContact CG2-CD1 4.02Å; I152-I156 WeakPolarHBondContact O-CD1 3.38Å; I152-I156 WeakPolarHBondContact O-CG1 3.36Å
153A78.8Confident79.9Confident50 Ų5095.9 Ų95.941%0.41352%0.524SS..Hα-helixtrans-71.4-33.3-177.100000113A149 A150 I156 A157A149-A153 VanDerWaalsContact O-CB 3.23Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 2.98Å; A150-A153 PolarHBondContact O-N 3.2Å; A153-I156 PolarHBondContact O-N 3.25Å; A153-A157 WeakPolarHBondContact O-CB 3.03Å; A153-A157 PolarHBondContact O-N 3.44Å
154V82.8Confident81.6Confident99 Ų9993.6 Ų93.660%0.652%0.519SS*.Hα-helixtrans-65-46.6-177.3167.50000112.2A150 I156 G158A150-V154 WeakPolarHBondContact O-CB 2.98Å; A150-V154 WeakPolarHBondContact O-CG2 3.09Å; A150-V154 PolarHBondContact O-N 3.39Å; V154-I156 VanDerWaalsContact C-N 3.34Å; V154-I156 PolarHBondContact O-N 2.97Å; V154-G158 WeakPolarHBondContact O-CA 3.14Å; V154-G158 PolarHBondContact O-N 3.31Å
155P87.2Confident82.9Confident85 Ų8593.3 Ų93.355%0.55252%0.52SS*.Hα-helixtrans-61-39.2172.2-2634.5000113.3V151 I152 G159V151-P155 WeakPolarHBondContact O-CD 3.41Å; V151-P155 VanDerWaalsContact O-CG 3.23Å; V151-P155 WeakPolarHBondContact O-CG 3.39Å; I152-P155 WeakPolarHBondContact O-CD 3.3Å; P155-G159 PolarHBondContact O-N 3.16Å
156I88.2Confident84.5Confident105 Ų10593.1 Ų93.154%0.53852%0.515SS..Hα-helixtrans-66.7-49.9179.9-62.6168.7000110.1I152 A153 V154 G159 L160I152-I156 HydrophobicContact CG2-CD1 4.02Å; I152-I156 WeakPolarHBondContact O-CD1 3.38Å; I152-I156 WeakPolarHBondContact O-CG1 3.36Å; A153-I156 PolarHBondContact O-N 3.25Å; V154-I156 VanDerWaalsContact C-N 3.34Å; V154-I156 PolarHBondContact O-N 2.97Å; I156-G159 PolarHBondContact O-N 3.21Å; I156-L160 HydrophobicContact CG2-CD1 4.46Å; I156-L160 WeakPolarHBondContact O-CG 3.38Å; I156-L160 PolarHBondContact O-N 2.02Å
157A89.9Confident85.3Confident48 Ų4888.8 Ų88.840%0.39750%0.504SS..Hα-helixtrans-63.4-43.4176.900000111.6A153 G159 L160 I161A153-A157 WeakPolarHBondContact O-CB 3.03Å; A153-A157 PolarHBondContact O-N 3.44Å; A157-G159 VanDerWaalsContact C-N 3.34Å; A157-G159 PolarHBondContact O-N 2.87Å; A157-L160 PolarHBondContact O-N 2.77Å; A157-I161 VanDerWaalsContact O-CG1 3.27Å; A157-I161 WeakPolarHBondContact O-CG1 3.45Å; A157-I161 PolarHBondContact O-N 3.41Å
158G90.8Very high86.3Confident37 Ų3786.8 Ų86.838%0.38150%0.5SS..Hα-helixtrans-59.7-42.6175.300000112.4V154 I161 L162V154-G158 WeakPolarHBondContact O-CA 3.14Å; V154-G158 PolarHBondContact O-N 3.31Å; G158-I161 PolarHBondContact O-N 2.81Å; G158-L162 VanDerWaalsContact O-CB 3.3Å; G158-L162 WeakPolarHBondContact O-CB 3.42Å; G158-L162 PolarHBondContact O-N 3.22Å
159G87.9Confident87.3Confident32 Ų3281.3 Ų81.333%0.3349%0.488SS..Hα-helixtrans-62.7-45.3174.800000112.7P155 I156 A157 L162 V163P155-G159 PolarHBondContact O-N 3.16Å; I156-G159 PolarHBondContact O-N 3.21Å; A157-G159 VanDerWaalsContact C-N 3.34Å; A157-G159 PolarHBondContact O-N 2.87Å; G159-L162 PolarHBondContact O-N 3.48Å; G159-V163 VanDerWaalsContact O-CG2 3.31Å; G159-V163 WeakPolarHBondContact O-CG2 3.5Å; G159-V163 PolarHBondContact O-N 3.11Å
160L90.3Very high87.6Confident114 Ų11482.3 Ų82.360%0.59749%0.487SS*.Hα-helixtrans-62.6-44.5177.2-70175.3000112I156 A157 V163 L164I156-L160 HydrophobicContact CG2-CD1 4.46Å; I156-L160 WeakPolarHBondContact O-CG 3.38Å; I156-L160 PolarHBondContact O-N 2.02Å; A157-L160 PolarHBondContact O-N 2.77Å; L160-V163 PolarHBondContact O-N 3.25Å; L160-L164 WeakPolarHBondContact O-CG 2.99Å; L160-L164 PolarHBondContact O-N 3.27Å
161I95.2Very high87.6Confident102 Ų10288.8 Ų88.852%0.52350%0.502SS..Hα-helixtrans-62.8-45.7176.9-66.8163.9000110.3A157 G158 V163 L164 L165A157-I161 VanDerWaalsContact O-CG1 3.27Å; A157-I161 WeakPolarHBondContact O-CG1 3.45Å; A157-I161 PolarHBondContact O-N 3.41Å; G158-I161 PolarHBondContact O-N 2.81Å; I161-V163 VanDerWaalsContact C-N 3.34Å; I161-V163 PolarHBondContact O-N 2.84Å; I161-L164 PolarHBondContact O-N 2.91Å; I161-L165 HydrophobicContact CG2-CD1 3.97Å; I161-L165 HydrophobicContact CG2-CG 4.26Å; I161-L165 WeakPolarHBondContact O-CG 3.28Å; I161-L165 PolarHBondContact O-N 3.24Å
162L93.8Very high87.4Confident107 Ų10790.1 Ų90.156%0.5650%0.504SS*.Hα-helixtrans-58.9-45178.3-173.869.7000111.4G158 G159 L164 L165 I166G158-L162 VanDerWaalsContact O-CB 3.3Å; G158-L162 WeakPolarHBondContact O-CB 3.42Å; G158-L162 PolarHBondContact O-N 3.22Å; G159-L162 PolarHBondContact O-N 3.48Å; L162-L164 PolarHBondContact O-N 3.03Å; L162-L165 PolarHBondContact O-N 3.31Å; L162-I166 HydrophobicContact CG-CD1 4.05Å; L162-I166 VanDerWaalsContact O-CG1 3.26Å; L162-I166 WeakPolarHBondContact O-CG1 2.95Å; L162-I166 PolarHBondContact O-N 3.17Å
163V88.5Confident87.4Confident86 Ų8689.9 Ų89.952%0.52150%0.503SS..Hα-helixtrans-61.6-43.5176.2170.70000111.3G159 L160 I161 I166 M167G159-V163 VanDerWaalsContact O-CG2 3.31Å; G159-V163 WeakPolarHBondContact O-CG2 3.5Å; G159-V163 PolarHBondContact O-N 3.11Å; L160-V163 PolarHBondContact O-N 3.25Å; I161-V163 VanDerWaalsContact C-N 3.34Å; I161-V163 PolarHBondContact O-N 2.84Å; V163-I166 PolarHBondContact O-N 2.87Å; V163-M167 HydrophobicContact CG1-CG 4.44Å; V163-M167 WeakPolarHBondContact O-CB 3.1Å; V163-M167 VanDerWaalsContact O-CG 3.32Å; V163-M167 WeakPolarHBondContact O-CG 3.28Å; V163-M167 PolarHBondContact O-N 2.71Å
164L91.6Very high87.1Confident113 Ų11396.5 Ų96.559%0.59252%0.517SS*.Hα-helixtrans-62.2-44.1176.5-71.2175.7000111.9L160 I161 L162 M167 L168L160-L164 WeakPolarHBondContact O-CG 2.99Å; L160-L164 PolarHBondContact O-N 3.27Å; I161-L164 PolarHBondContact O-N 2.91Å; L162-L164 PolarHBondContact O-N 3.03Å; L164-M167 PolarHBondContact O-N 2.89Å; L164-L168 WeakPolarHBondContact O-CB 3.41Å; L164-L168 WeakPolarHBondContact O-CG 3.18Å; L164-L168 PolarHBondContact O-N 2.76Å
165L92.4Very high86.5Confident104 Ų10495.1 Ų95.155%0.54551%0.512SS..Hα-helixtrans-62.7-42.3176.9-68.9176.1000111.8I161 L162 L168 A169I161-L165 HydrophobicContact CG2-CD1 3.97Å; I161-L165 HydrophobicContact CG2-CG 4.26Å; I161-L165 WeakPolarHBondContact O-CG 3.28Å; I161-L165 PolarHBondContact O-N 3.24Å; L162-L165 PolarHBondContact O-N 3.31Å; L165-L168 PolarHBondContact O-N 3.12Å; L165-A169 WeakPolarHBondContact O-CB 3.5Å; L165-A169 PolarHBondContact O-N 3.18Å
166I94.3Very high85.7Confident87 Ų8795.6 Ų95.645%0.44651%0.507SS..Hα-helixtrans-62-45.3174.5-68.9165.8000110.4L162 V163 L168 A169 L170L162-I166 HydrophobicContact CG-CD1 4.05Å; L162-I166 VanDerWaalsContact O-CG1 3.26Å; L162-I166 WeakPolarHBondContact O-CG1 2.95Å; L162-I166 PolarHBondContact O-N 3.17Å; V163-I166 PolarHBondContact O-N 2.87Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.31Å; I166-A169 PolarHBondContact O-N 3.02Å; I166-L170 HydrophobicContact CG2-CD1 3.9Å; I166-L170 HydrophobicContact CG2-CG 4.27Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.42Å; I166-L170 PolarHBondContact O-N 2.98Å
167M86.4Confident84.7Confident96 Ų9695 Ų9547%0.47351%0.505SS..Hα-helixtrans-63.1-38.4178.1-76.2-63.1-65.600112.4V163 L164 R171V163-M167 HydrophobicContact CG1-CG 4.44Å; V163-M167 WeakPolarHBondContact O-CB 3.1Å; V163-M167 VanDerWaalsContact O-CG 3.32Å; V163-M167 WeakPolarHBondContact O-CG 3.28Å; V163-M167 PolarHBondContact O-N 2.71Å; L164-M167 PolarHBondContact O-N 2.89Å; M167-R171 WeakPolarHBondContact O-CB 3.47Å; M167-R171 WeakPolarHBondContact O-CG 3.38Å; M167-R171 PolarHBondContact O-N 3.39Å
168L88.7Confident83.8Confident107 Ų10799 Ų9956%0.5651%0.513SS*.Hα-helixtrans-65.7-46.8173.8-74173.9000111.3L164 L165 I166 L170 R171 M172L164-L168 WeakPolarHBondContact O-CB 3.41Å; L164-L168 WeakPolarHBondContact O-CG 3.18Å; L164-L168 PolarHBondContact O-N 2.76Å; L165-L168 PolarHBondContact O-N 3.12Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.31Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-L170 PolarHBondContact O-N 3.25Å; L168-R171 PolarHBondContact O-N 3.37Å; L168-M172 WeakPolarHBondContact O-CB 3.46Å; L168-M172 PolarHBondContact O-N 2.89Å
169A91.1Very high82.6Confident43 Ų43105.7 Ų105.736%0.35553%0.527SS..Hα-helixtrans-60.4-43.4176.400000111.5L165 I166 M172 L173L165-A169 WeakPolarHBondContact O-CB 3.5Å; L165-A169 PolarHBondContact O-N 3.18Å; I166-A169 PolarHBondContact O-N 3.02Å; A169-M172 PolarHBondContact O-N 2.98Å; A169-L173 WeakPolarHBondContact O-CB 3.49Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.1Å; A169-L173 PolarHBondContact O-N 3.49Å
170L83.6Confident81.6Confident72 Ų72108.9 Ų108.938%0.37754%0.536SS..Hα-helixtrans-66.9-37.2175.5-71.5176.1000112.5I166 L168 M172 R174I166-L170 HydrophobicContact CG2-CD1 3.9Å; I166-L170 HydrophobicContact CG2-CG 4.27Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.42Å; I166-L170 PolarHBondContact O-N 2.98Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-L170 PolarHBondContact O-N 3.25Å; L170-M172 VanDerWaalsContact C-N 3.34Å; L170-R174 VanDerWaalsContact O-CB 3.23Å; L170-R174 WeakPolarHBondContact O-CB 3.15Å; L170-R174 VanDerWaalsContact O-CG 3.26Å; L170-R174 WeakPolarHBondContact O-CG 2.98Å; L170-R174 PolarHBondContact O-N 2.89Å
171R81.4Confident80.6Confident179 Ų179109 Ų10968%0.67553%0.534SS*.Hα-helixtrans-65.2-39.3173-88-173.8166.6157.9-1.7111.6M167 L168 S175M167-R171 WeakPolarHBondContact O-CB 3.47Å; M167-R171 WeakPolarHBondContact O-CG 3.38Å; M167-R171 PolarHBondContact O-N 3.39Å; L168-R171 PolarHBondContact O-N 3.37Å; R171-S175 VanDerWaalsContact O-CB 3.22Å; R171-S175 WeakPolarHBondContact O-CB 3.3Å; R171-S175 PolarHBondContact O-N 2.85Å; R171-S175 PolarHBondContact O-OG 3.06Å; R171-S175 VanDerWaalsContact O-OG 3.11Å
172M77.1Confident79.5Confident116 Ų116107.6 Ų107.657%0.57153%0.527SS*.Hα-helixtrans-67-47.4176.3-163.8176.579.600110.7L168 A169 L170 R174 S175 E176L168-M172 WeakPolarHBondContact O-CB 3.46Å; L168-M172 PolarHBondContact O-N 2.89Å; A169-M172 PolarHBondContact O-N 2.98Å; L170-M172 VanDerWaalsContact C-N 3.34Å; M172-R174 PolarHBondContact O-N 2.77Å; M172-S175 PolarHBondContact O-N 3.42Å; M172-S175 PolarHBondContact O-OG 3.15Å; M172-E176 WeakPolarHBondContact O-CB 3.43Å; M172-E176 WeakPolarHBondContact O-CG 3.41Å; M172-E176 PolarHBondContact O-N 3Å
173L76.8Confident78.1Confident106 Ų106107.7 Ų107.756%0.55553%0.525SS*.Hα-helixtrans-62.5-41175.4-71.3169.6000111.8A169 N177A169-L173 WeakPolarHBondContact O-CB 3.49Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.1Å; A169-L173 PolarHBondContact O-N 3.49Å; L173-N177 VanDerWaalsContact O-CB 3.23Å; L173-N177 WeakPolarHBondContact O-CB 3.26Å; L173-N177 PolarHBondContact O-N 3.21Å
174R72.1Confident77Confident189 Ų189112.6 Ų112.671%0.71353%0.534SS*.Hα-helixtrans-71.7-36.4176.8-76.2-177.6-172.8176.64.4112.9L170 M172 K178L170-R174 VanDerWaalsContact O-CB 3.23Å; L170-R174 WeakPolarHBondContact O-CB 3.15Å; L170-R174 VanDerWaalsContact O-CG 3.26Å; L170-R174 WeakPolarHBondContact O-CG 2.98Å; L170-R174 PolarHBondContact O-N 2.89Å; M172-R174 PolarHBondContact O-N 2.77Å; R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 3.45Å
175S70.1Confident75.9Confident69 Ų69113.3 Ų113.348%0.48353%0.534SS..Hα-helixtrans-68.6-39178.765.50000110.9R171 M172 R179R171-S175 VanDerWaalsContact O-CB 3.22Å; R171-S175 WeakPolarHBondContact O-CB 3.3Å; R171-S175 PolarHBondContact O-N 2.85Å; R171-S175 PolarHBondContact O-OG 3.06Å; R171-S175 VanDerWaalsContact O-OG 3.11Å; M172-S175 PolarHBondContact O-N 3.42Å; M172-S175 PolarHBondContact O-OG 3.15Å; S175-R179 WeakPolarHBondContact O-CB 3.06Å; S175-R179 PolarHBondContact O-N 3.27Å
176E69.8Low74.6Confident95 Ų95114.1 Ų114.144%0.44454%0.535SS..Hα-helixtrans-70.4-44174.9-66.9-157.6140.900112M172 K178 R179 L180M172-E176 WeakPolarHBondContact O-CB 3.43Å; M172-E176 WeakPolarHBondContact O-CG 3.41Å; M172-E176 PolarHBondContact O-N 3Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.49Å; E176-R179 PolarHBondContact O-N 3.37Å; E176-L180 WeakPolarHBondContact O-CB 3.42Å; E176-L180 WeakPolarHBondContact O-CD1 3.37Å; E176-L180 PolarHBondContact O-N 2.77Å
177N67.1Low73.2Confident93 Ų93116.1 Ų116.150%0.49754%0.544SS..Hα-helixtrans-64.7-36.3176.5-140.1-41.2000111.7L173 L180 Q181L173-N177 VanDerWaalsContact O-CB 3.23Å; L173-N177 WeakPolarHBondContact O-CB 3.26Å; L173-N177 PolarHBondContact O-N 3.21Å; N177-L180 PolarHBondContact O-N 3.08Å; N177-Q181 WeakPolarHBondContact O-CB 3.47Å; N177-Q181 VanDerWaalsContact O-CG 3.27Å; N177-Q181 WeakPolarHBondContact O-CG 3.4Å; N177-Q181 PolarHBondContact O-N 3.02Å
178K71.9Confident72.3Confident133 Ų133117 Ų11758%0.57855%0.55SS*.Hα-helixtrans-64.5-43.4173.4-170.8172.3-179.1178.80111.3R174 E176 L180 Q181 D182R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 3.45Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.49Å; K178-L180 VanDerWaalsContact C-N 3.34Å; K178-L180 PolarHBondContact O-N 2.78Å; K178-Q181 PolarHBondContact O-N 2.84Å; K178-D182 WeakPolarHBondContact O-CB 3.24Å; K178-D182 VanDerWaalsContact O-CG 3.26Å; K178-D182 PolarHBondContact O-N 3.17Å
179R65.1Low71.2Confident176 Ų176115 Ų11566%0.66455%0.545SS*.Hα-helixtrans-62.1-40.6175.1-165.3172.270.4163.5-0.5112.1S175 E176 Q183S175-R179 WeakPolarHBondContact O-CB 3.06Å; S175-R179 PolarHBondContact O-N 3.27Å; E176-R179 PolarHBondContact O-N 3.37Å; R179-Q183 WeakPolarHBondContact O-CB 3.09Å; R179-Q183 PolarHBondContact O-N 3.09Å
180L65.9Low69.7Low100 Ų100122.5 Ų122.552%0.52456%0.564SS.*Hα-helixtrans-66.7-39.3174-82.4148.9000112.5E176 N177 K178 R184E176-L180 WeakPolarHBondContact O-CB 3.42Å; E176-L180 WeakPolarHBondContact O-CD1 3.37Å; E176-L180 PolarHBondContact O-N 2.77Å; N177-L180 PolarHBondContact O-N 3.08Å; K178-L180 VanDerWaalsContact C-N 3.34Å; K178-L180 PolarHBondContact O-N 2.78Å; L180-R184 WeakPolarHBondContact O-CB 3.36Å; L180-R184 WeakPolarHBondContact O-CG 3.31Å; L180-R184 PolarHBondContact O-N 2.83Å
181Q69.9Low68.7Low117 Ų117125.1 Ų125.155%0.54758%0.578SS.*Hα-helixtrans-67.2-44.5175.9-79.7-176.9-24.400111.8N177 K178 Q183 R184 Q185N177-Q181 WeakPolarHBondContact O-CB 3.47Å; N177-Q181 VanDerWaalsContact O-CG 3.27Å; N177-Q181 WeakPolarHBondContact O-CG 3.4Å; N177-Q181 PolarHBondContact O-N 3.02Å; K178-Q181 PolarHBondContact O-N 2.84Å; Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 3.31Å; Q181-R184 PolarHBondContact O-N 2.02Å; Q181-Q185 WeakPolarHBondContact O-CB 3.01Å; Q181-Q185 WeakPolarHBondContact O-CG 2.99Å; Q181-Q185 PolarHBondContact O-N 3.1Å
182D72Confident67.5Low72 Ų72123 Ų12339%0.38558%0.576SS.*Hα-helixtrans-61.7-42.8175.9-69.5-22.2000110.4K178 R184 Q185 Q186K178-D182 WeakPolarHBondContact O-CB 3.24Å; K178-D182 VanDerWaalsContact O-CG 3.26Å; K178-D182 PolarHBondContact O-N 3.17Å; D182-R184 PolarHBondContact O-N 2.78Å; D182-Q185 PolarHBondContact O-N 3.24Å; D182-Q186 WeakPolarHBondContact O-CB 3.07Å; D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.06Å; D182-Q186 PolarHBondContact O-N 2.9Å
183Q65.3Low66.5Low109 Ų109127.2 Ų127.251%0.50959%0.586SS.*Hα-helixtrans-63.9-40.4174.9-167.9-180-6.400112.2R179 Q181 Q186 M187R179-Q183 WeakPolarHBondContact O-CB 3.09Å; R179-Q183 PolarHBondContact O-N 3.09Å; Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 3.31Å; Q183-Q186 PolarHBondContact O-N 3.27Å; Q183-M187 VanDerWaalsContact O-CG 3.24Å; Q183-M187 WeakPolarHBondContact O-CG 3.23Å; Q183-M187 PolarHBondContact O-N 3.33Å
184R64.9Low65.6Low189 Ų189126.2 Ų126.271%0.71359%0.588SS**Hα-helixtrans-68.2-37.4174.9-79-149.2176.5-177.60.8112.8L180 Q181 D182 Q186 M187 L188L180-R184 WeakPolarHBondContact O-CB 3.36Å; L180-R184 WeakPolarHBondContact O-CG 3.31Å; L180-R184 PolarHBondContact O-N 2.83Å; Q181-R184 PolarHBondContact O-N 2.02Å; D182-R184 PolarHBondContact O-N 2.78Å; R184-Q186 VanDerWaalsContact C-N 3.35Å; R184-M187 PolarHBondContact O-N 2.88Å; R184-L188 WeakPolarHBondContact O-CB 3.32Å; R184-L188 WeakPolarHBondContact O-CG 3.37Å; R184-L188 PolarHBondContact O-N 3.35Å
185Q68.3Low64.7Low128 Ų128124.4 Ų124.460%0.59859%0.586SS**Hα-helixtrans-66.3-37.7174.3-76.4-174.8-16.300111.5Q181 D182 L188 S189Q181-Q185 WeakPolarHBondContact O-CB 3.01Å; Q181-Q185 WeakPolarHBondContact O-CG 2.99Å; Q181-Q185 PolarHBondContact O-N 3.1Å; D182-Q185 PolarHBondContact O-N 3.24Å; Q185-L188 PolarHBondContact O-N 3.49Å; Q185-S189 VanDerWaalsContact O-CB 3.27Å; Q185-S189 WeakPolarHBondContact O-CB 3.48Å; Q185-S189 PolarHBondContact O-N 2.83Å; Q185-S189 PolarHBondContact O-OG 3.35Å
186Q65.9Low63.9Low121 Ų121127.7 Ų127.757%0.56559%0.593SS**Hα-helixtrans-67-38.4173.6-72.41760.300112.4D182 Q183 R184 S189 R190D182-Q186 WeakPolarHBondContact O-CB 3.07Å; D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.06Å; D182-Q186 PolarHBondContact O-N 2.9Å; Q183-Q186 PolarHBondContact O-N 3.27Å; R184-Q186 VanDerWaalsContact C-N 3.35Å; Q186-S189 VanDerWaalsContact CA-OG 3.32Å; Q186-S189 WeakPolarHBondContact CA-OG 3.44Å; Q186-S189 PolarHBondContact O-OG 3.42Å; Q186-S189 VanDerWaalsContact O-OG 3.07Å; Q186-R190 WeakPolarHBondContact O-CB 3.32Å; Q186-R190 WeakPolarHBondContact O-CG 3.29Å; Q186-R190 PolarHBondContact O-N 2.65Å; Q186-R190 VanDerWaalsContact O-N 3.12Å
187M64Low62.8Low129 Ų129125.8 Ų125.864%0.63560%0.599SS**Hα-helixtrans-67-42.9173.7-70-112.3-100.100112.1Q183 R184 R190 L191Q183-M187 VanDerWaalsContact O-CG 3.24Å; Q183-M187 WeakPolarHBondContact O-CG 3.23Å; Q183-M187 PolarHBondContact O-N 3.33Å; R184-M187 PolarHBondContact O-N 2.88Å; M187-R190 PolarHBondContact O-N 3.24Å; M187-L191 PolarHBondContact O-N 3.37Å; M187-L191 VanDerWaalsContact O-N 3.11Å
188L68.1Low61.9Low114 Ų114129.4 Ų129.460%0.59761%0.612SS**Hα-helixtrans-69.2-40.4178.2-76.9168.2000112.7R184 Q185 R190 L191 H192R184-L188 WeakPolarHBondContact O-CB 3.32Å; R184-L188 WeakPolarHBondContact O-CG 3.37Å; R184-L188 PolarHBondContact O-N 3.35Å; Q185-L188 PolarHBondContact O-N 3.49Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 2.02Å; L188-L191 WeakPolarHBondContact O-CB 3.15Å; L188-L191 PolarHBondContact O-N 3Å; L188-H192 PolarHBondContact O-N 2.57Å
189S64.8Low60.7Low66 Ų66130.2 Ų130.246%0.46262%0.618SS.*Hα-helixtrans-66.3-35.1176.151.70000112.2Q185 Q186 H192 Y193Q185-S189 VanDerWaalsContact O-CB 3.27Å; Q185-S189 WeakPolarHBondContact O-CB 3.48Å; Q185-S189 PolarHBondContact O-N 2.83Å; Q185-S189 PolarHBondContact O-OG 3.35Å; Q186-S189 VanDerWaalsContact CA-OG 3.32Å; Q186-S189 WeakPolarHBondContact CA-OG 3.44Å; Q186-S189 PolarHBondContact O-OG 3.42Å; Q186-S189 VanDerWaalsContact O-OG 3.07Å; S189-H192 PolarHBondContact O-N 3Å; S189-Y193 PolarHBondContact O-N 3.36Å; S189-Y193 VanDerWaalsContact O-N 3.07Å
190R60Low59.9Low199 Ų199127.1 Ų127.175%0.75162%0.619SS**Hα-helixtrans-63.7-39169.7-83-174.7148.7129.1-1.8112.9Q186 M187 L188 S194Q186-R190 WeakPolarHBondContact O-CB 3.32Å; Q186-R190 WeakPolarHBondContact O-CG 3.29Å; Q186-R190 PolarHBondContact O-N 2.65Å; Q186-R190 VanDerWaalsContact O-N 3.12Å; M187-R190 PolarHBondContact O-N 3.24Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 2.02Å; R190-S194 PolarHBondContact O-N 3.09Å; R190-S194 VanDerWaalsContact O-N 3.14Å
191L61.6Low58.5Low128 Ų128132 Ų13267%0.6764%0.636SS**Hα-helixtrans-67.2-40.8176.4-140.996.5000111.8M187 L188 S194 F195M187-L191 PolarHBondContact O-N 3.37Å; M187-L191 VanDerWaalsContact O-N 3.11Å; L188-L191 WeakPolarHBondContact O-CB 3.15Å; L188-L191 PolarHBondContact O-N 3Å; L191-S194 PolarHBondContact O-N 3.16Å; L191-F195 PolarHBondContact O-N 2.81Å; L191-F195 VanDerWaalsContact O-N 3.08Å
192H56.3Low57.4Low135 Ų135136.8 Ų136.863%0.62566%0.655SS**Hα-helixtrans-68.4-34.6-179.7-132.3-85.8000112.6L188 S189 H196L188-H192 PolarHBondContact O-N 2.57Å; S189-H192 PolarHBondContact O-N 3Å; H192-H196 PolarHBondContact O-N 3.26Å
193Y57.1Low55.9Low204 Ų204136.4 Ų136.480%0.867%0.668SS**Hα-helixtrans-70.6-36.2173.2-124.5-87.7000112.3S189 F195 G197S189-Y193 PolarHBondContact O-N 3.36Å; S189-Y193 VanDerWaalsContact O-N 3.07Å; Y193-F195 VanDerWaalsContact C-N 3.32Å; Y193-F195 PolarHBondContact O-N 2.85Å; Y193-G197 PolarHBondContact O-N 2.95Å
194S57.3Low54.3Low84 Ų84140 Ų14059%0.58768%0.684SS**Hα-helixtrans-67.6-31.1176.6-165.70000112.7R190 L191R190-S194 PolarHBondContact O-N 3.09Å; R190-S194 VanDerWaalsContact O-N 3.14Å; L191-S194 PolarHBondContact O-N 3.16Å
195F54.1Low53Low151 Ų151139.5 Ų139.566%0.66269%0.692SS**Hα-helixtrans-78.8-34.4179.6-164.7-102.5000112.7L191 Y193L191-F195 PolarHBondContact O-N 2.81Å; L191-F195 VanDerWaalsContact O-N 3.08Å; Y193-F195 VanDerWaalsContact C-N 3.32Å; Y193-F195 PolarHBondContact O-N 2.85Å
196H52.6Low51.3Low139 Ų139138 Ų13864%0.64470%0.702SS**Hα-helixtrans-80.5-13.2179.7-115.1-69.1000114.7H192H192-H196 PolarHBondContact O-N 3.26Å
197G46.6Very low50Low55 Ų55140.3 Ų140.357%0.56771%0.71SS**THydrogen-bonded Turntrans-79.2-11.117700000115.5Y193Y193-G197 PolarHBondContact O-N 2.95Å
198H47.8Very low48.9Very low168 Ų168142.3 Ų142.378%0.77872%0.722SS**SBendtrans-100.6-3-172-99.9-84.5000115.8
199H46.8Very low47.1Very low151 Ų151142 Ų14270%0.69972%0.722SS**SBendtrans-101.52.8-178-83.4-79.3000115.5
200T48.2Very low46.1Very low110 Ų110147.3 Ų147.368%0.67574%0.743SS**SBendtrans-131.758.6-178.759.10000113.3
201K37.8Very low44.9Very low202 Ų202145.4 Ų145.488%0.87874%0.743SS**  trans-167.2115.3149.4-103.1145.4-170.7-1760112.1G203K201-G203 PolarHBondContact O-N 3.36Å
202K45.4Very low43.7Very low218 Ų218144.4 Ų144.495%0.94875%0.746SS**  trans-49.8129.3153.7-107.6174.1172174.40108.8
203G41.1Very low42.7Very low64 Ų64147.1 Ų147.166%0.6676%0.761SS**  trans132112.7154.600000115.7K201K201-G203 PolarHBondContact O-N 3.36Å
204H32.2Very low41.6Very low184 Ų184142.5 Ų142.585%0.85275%0.754SS**  trans63.6107.7149.7-76.587000120.4
205M36.8Very low41.1Very low180 Ų180144.4 Ų144.489%0.88776%0.764SS**  trans29.9109.5131.4-58.7-167.711900118.5
206A33.7Very low40Very low97 Ų97143 Ų14380%0.80277%0.767SS**  -156114.2122.500000109L208A206-L208 PolarHBondContact O-N 3.03Å
207K38.2Very low39.1Very low169 Ų169142.5 Ų142.574%0.73577%0.774SS**  trans-52.7118166.5176.6178.8178.1170.50109.4D209K207-D209 WeakPolarHBondContact CE-OD2 3.4Å; K207-D209 IonicContact NZ-OD2 3.56Å
208L39.9Very low38.5Very low170 Ų170143.4 Ų143.489%0.8978%0.784SS**  trans-126.9104.6156.4-132.582.8000106.8A206 L210A206-L208 PolarHBondContact O-N 3.03Å; L208-L210 PolarHBondContact O-N 3.31Å
209D32.1Very low37.7Very low109 Ų109143.1 Ų143.158%0.58378%0.783SS**  trans-57122.9-177.5-88-37.8000110.5K207 E211K207-D209 WeakPolarHBondContact CE-OD2 3.4Å; K207-D209 IonicContact NZ-OD2 3.56Å; D209-E211 VanDerWaalsContact C-N 3.28Å; D209-E211 PolarHBondContact O-N 3.09Å; D209-E211 VanDerWaalsContact O-N 3.16Å
210L42.4Very low37.8Very low176 Ų176141.9 Ų141.992%0.92178%0.777SS**  trans-74.383.5160178.272.2000106.8L208L208-L210 PolarHBondContact O-N 3.31Å
211E36Very low37.8Very low160 Ų160144 Ų14475%0.74878%0.784SS**  trans-138.8137173.8-141.2155.2129.200112.9D209D209-E211 VanDerWaalsContact C-N 3.28Å; D209-E211 PolarHBondContact O-N 3.09Å; D209-E211 VanDerWaalsContact O-N 3.16Å
212C35.4Very low37.7Very low106 Ų106140.3 Ų140.372%0.71678%0.783SS**  trans79.776.5169.4-74.10000119.2V214C212-V214 PolarHBondContact O-N 2.76Å
213M35.7Very low37.3Very low193 Ų193133.8 Ų133.895%0.95176%0.764SS**  -62.9102.3128.6-75.9169.866.100109.5
214V33Very low37.5Very low107 Ų107139.3 Ų139.365%0.64878%0.777SS**  trans-154.4138.2154-1770000109.2C212 V216C212-V214 PolarHBondContact O-N 2.76Å; V214-V216 HydrophobicContact CG1-CG2 4.5Å
215P46.4Very low38.1Very low124 Ų124136 Ų13681%0.80577%0.77SS**  trans-87.9106.9174.933.3-26.9000109.8
216V31.8Very low38.5Very low120 Ų120132.3 Ų132.373%0.72776%0.761SS**  trans-145.8133.9161.8170.20000109.6V214V214-V216 HydrophobicContact CG1-CG2 4.5Å
217T33.3Very low38.9Very low129 Ų129133.2 Ų133.279%0.79175%0.752SS**  trans-20.5137.2166.555.50000117.3
218G33.7Very low38.8Very low75 Ų75134.6 Ų134.677%0.77376%0.758SS**  trans92.4130.2134.800000116.5
219H31.4Very low38.8Very low162 Ų162135.2 Ų135.275%0.7576%0.759SS**  trans92.1115.2160.9-133.4-80000118.3
220E49.4Very low39.2Very low125 Ų125140.7 Ų140.758%0.58477%0.771SS**  trans-41.9139.3176.646.1-100.366.700116.1
221N47.8Very low38.8Very low153 Ų153140.4 Ų140.482%0.81877%0.765SS**  trans143.686.5133.9-68.7-33.8000111
222C35.4Very low38.7Very low126 Ų126136.5 Ų136.585%0.85176%0.76SS**  trans-154.7132.9157-160.50000112.8
223C37.2Very low38.7Very low81 Ų81139.2 Ų139.255%0.54777%0.768SS.*  trans78.287.5169.7-81.30000119.8T225 C226C223-T225 PolarHBondContact O-N 3.02Å; C223-C226 PolarHBondContact O-N 2.82Å
224L45.8Very low38.9Very low179 Ų179138.7 Ų138.794%0.93777%0.768SS**THydrogen-bonded Turntrans-55.110154-84.7151.4000115.3
225T43.8Very low38.7Very low116 Ų116136.9 Ų136.971%0.71277%0.77SS**THydrogen-bonded Turntrans-109.6-9.6179.8-29.90000112.9C223C223-T225 PolarHBondContact O-N 3.02Å
226C46.8Very low38Very low102 Ų102137.8 Ų137.869%0.68977%0.768SS**SBendtrans-84.1-16.3176.6-73.20000113.9C223 K228C223-C226 PolarHBondContact O-N 2.82Å; C226-K228 VanDerWaalsContact C-N 3.32Å; C226-K228 PolarHBondContact O-N 2.94Å
227D40.4Very low38.1Very low115 Ų115137.6 Ų137.662%0.61576%0.763SS**G310 helixtrans-73.8-24.3-177.4-145-23.3000112.6M229 R230D227-M229 VanDerWaalsContact C-N 3.27Å; D227-M229 PolarHBondContact O-N 2.97Å; D227-R230 PolarHBondContact O-N 3.2Å
228K36.1Very low38.3Very low199 Ų199140.1 Ų140.187%0.86576%0.763SS**G310 helixtrans-75.4-8.6-174.2-158.6169.1-177.4177.30114.9C226C226-K228 VanDerWaalsContact C-N 3.32Å; C226-K228 PolarHBondContact O-N 2.94Å
229M40Very low38.7Very low182 Ų182143 Ų14390%0.89776%0.76SS**G310 helixtrans-102.4-6.7179.3-107.9160.7-154.400114.4D227D227-M229 VanDerWaalsContact C-N 3.27Å; D227-M229 PolarHBondContact O-N 2.97Å
230R41.2Very low39.1Very low225 Ų225142.9 Ų142.985%0.84976%0.764SS**SBendtrans-95.24.6-173.8-150.2176174.6142.10.1114.3D227D227-R230 PolarHBondContact O-N 3.2Å
231Q34.9Very low38.2Very low170 Ų170143 Ų14379%0.79478%0.778SS**SBendtrans-120.813.2-170.7-133.9145.228.200115.3
232A33.5Very low38Very low77 Ų77143.1 Ų143.164%0.63678%0.778SS**SBendtrans-104.7133160.600000107.9
233D35.3Very low38.3Very low164 Ų164142.7 Ų142.788%0.87777%0.771SS**  trans87.149.1179.1-53-33.7000117.2
234L38.9Very low38.2Very low182 Ų182146.9 Ų146.995%0.95378%0.782SS**  trans-88.796.6141.2-95.9155.5000107.9
235G30.4Very low37.7Very low68 Ų68149.6 Ų149.670%0.70178%0.78SS**  trans-165.390.1-179.900000113.1
236N30.6Very low37.1Very low144 Ų144146.6 Ų146.677%0.7777%0.772SS**  trans81.9115159.2-99.712.9000121.1
237D35Very low36.4Very low116 Ų116150.6 Ų150.662%0.6278%0.783SS**  trans75.593.1137.7-56.5-34.8000118.4
238K35.6Very low36.1Very low181 Ų181156.4 Ų156.479%0.78780%0.798SS**  74.3117.385.4-91.7-178.8177.5174.30113.2
239I42.3Very low36.1Very low137 Ų137152.7 Ų152.770%0.70380%0.797SS**  trans99103.1135.9-64165.9000115.8
240L40.1Very low35.8Very low158 Ų158147.1 Ų147.183%0.82779%0.787SS**  trans88.590.6148.6-58.1165.9000119.1
241S31.6Very low35.5Very low127 Ų127146.3 Ų146.389%0.88879%0.792SS**  trans-125.792.2143-167.10000108.6
242L42.9Very low35.4Very low157 Ų157141.6 Ų141.682%0.82279%0.789SS**  trans-101.191.7167.8-177.485000107.3
243V42Very low35.3Very low116 Ų116147.1 Ų147.170%0.70380%0.799SS**  trans-148.597.9147.4-168.30000108.4
244H34.7Very low35.6Very low169 Ų169146.2 Ų146.278%0.78279%0.793SS**  trans-82106.2172.8171.7-77.1000109.1G246H244-G246 PolarHBondContact ND1-N 3.04Å; H244-G246 PolarHBondContact O-N 3.17Å
245W35.6Very low35.2Very low237 Ų237147 Ų14790%0.89879%0.792SS**  trans-81.4103164.7-90.778.8000108.6
246G31.8Very low35.3Very low52 Ų52152.8 Ų152.854%0.53680%0.798SS.*  trans-74.4120.8175.500000110.8H244H244-G246 PolarHBondContact ND1-N 3.04Å; H244-G246 PolarHBondContact O-N 3.17Å
247M31.2Very low35.3Very low186 Ų186156.1 Ų156.192%0.91682%0.823SS**  trans-98.6105.1169.8-156.916069.800107.3S249M247-S249 PolarHBondContact O-N 2.88Å
248Y33.9Very low35.4Very low237 Ų237158.1 Ų158.193%0.92983%0.833SS**  trans-75.2114.8176.5-122.9-97.6000109
249S36.2Very low35.3Very low121 Ų121156.9 Ų156.985%0.84684%0.835SS**  trans-128.8116.1163.1175.50000106.7M247M247-S249 PolarHBondContact O-N 2.88Å
250G34.4Very low35Very low66 Ų66158 Ų15868%0.6884%0.843SS**  trans-168.887-174.100000111.7
251H35.8Very low34.7Very low208 Ų208158 Ų15896%0.96384%0.844SS**  trans-64.1123.4166.8-152-94.5000109
252G32.8Very low34.8Very low71 Ų71159.9 Ų159.973%0.73284%0.841SS**  trans-16285.4-175.300000114
253K31.2Very low34.3Very low193 Ų193160.1 Ų160.184%0.83984%0.842SS**  trans17.2121.2144.3-150.8173.9-176.9-178.20119.6
254L40.3Very low33.8Very low144 Ų144163.3 Ų163.375%0.75485%0.852SS**  trans7.7122.9144.3-70.4141.6000118.6
255E31.9Very low33.7Very low198 Ų198162.8 Ų162.893%0.92586%0.858SS**  trans-142.7140.9134.9-72.5-161.2152.500110.5
256F32Very low33.5Very low191 Ų191156.7 Ų156.784%0.83885%0.854SS**  trans-78.6138.2-179.7-86.6-106.4000111.8
257V30.9Very low33.7Very low213 Ų213166.2 Ų166.2100%1.29188%0.883SS**  -148.50128.4174.10000107.8

Retrieved 257 of 257 residues in 446.5 ms (Link to these results)