A0A087Y927_POEFO Loading...

Insulin-like growth factor binding protein 2b

IGF-binding proteins prolong the half-life of the IGFs and have been shown to either inhibit or stimulate the growth promoting effects of the IGFs on cell culture. They alter the interaction of IGFs with their cell surface receptors.

AlphaFold DB , UniProt , Accession A0A087Y927, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 295 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
1L48.7Very low63Low230 Ų23095.5 Ų95.5100%1.20460%0.596SS**  098.50-77.9116.7000108.2S3L1-S3 PolarHBondContact O-N 2.91Å
2I52.5Low64Low142 Ų14299.8 Ų99.873%0.72860%0.6SS**  trans-76.3122.2171-59.2168.7000105.6A6 V7I2-A6 HydrophobicContact CG2-CB 4.07Å; I2-V7 HydrophobicContact CG2-CG2 3.8Å
3S56.7Low64.7Low66 Ų6695.2 Ų95.246%0.46259%0.586SS.*  trans-67.5140.1-175.658.90000110.3L1 P5 A6 V7L1-S3 PolarHBondContact O-N 2.91Å; S3-P5 VanDerWaalsContact C-N 3.26Å; S3-P5 VanDerWaalsContact O-N 3.13Å; S3-A6 WeakPolarHBondContact O-CB 3.44Å; S3-A6 PolarHBondContact O-N 3.45Å; S3-V7 PolarHBondContact O-N 3.37Å
4A58.5Low64.9Low80 Ų8095.8 Ų95.866%0.66158%0.582SS**Hα-helixtrans-44.2-39.1175.300000115.3A6 V7 A8A4-A6 PolarHBondContact O-N 3.32Å; A4-V7 PolarHBondContact O-N 2.85Å; A4-A8 PolarHBondContact O-N 3.34Å; A4-A8 VanDerWaalsContact O-N 3.12Å
5P62.9Low65.2Low90 Ų9096.5 Ų96.558%0.58458%0.581SS**Hα-helixtrans-68.1-30.6176.124.8-36.3000114.3S3 A8 A9S3-P5 VanDerWaalsContact C-N 3.26Å; S3-P5 VanDerWaalsContact O-N 3.13Å; P5-A8 PolarHBondContact O-N 3.18Å; P5-A9 PolarHBondContact O-N 2.97Å
6A60.7Low65.3Low41 Ų4196.9 Ų96.934%0.33958%0.578SS.*Hα-helixtrans-70.5-36.5177.700000111.3I2 S3 A4 V10I2-A6 HydrophobicContact CG2-CB 4.07Å; S3-A6 WeakPolarHBondContact O-CB 3.44Å; S3-A6 PolarHBondContact O-N 3.45Å; A4-A6 PolarHBondContact O-N 3.32Å; A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.11Å; A6-V10 PolarHBondContact O-N 2.9Å
7V66.4Low65.3Low75 Ų7594.3 Ų94.346%0.45557%0.57SS.*Hα-helixtrans-66.8-43.2174.1-174.10000110.2I2 S3 A4 A9 V10 M11I2-V7 HydrophobicContact CG2-CG2 3.8Å; S3-V7 PolarHBondContact O-N 3.37Å; A4-V7 PolarHBondContact O-N 2.85Å; V7-A9 PolarHBondContact O-N 2.94Å; V7-V10 PolarHBondContact O-N 3.46Å; V7-M11 HydrophobicContact CG1-CG 4.37Å; V7-M11 WeakPolarHBondContact O-CG 3.22Å; V7-M11 PolarHBondContact O-N 2.88Å
8A69.2Low65.3Low55 Ų5595.3 Ų95.346%0.45558%0.576SS.*Hα-helixtrans-62.1-41.4178.500000112.8A4 P5 M11 F12A4-A8 PolarHBondContact O-N 3.34Å; A4-A8 VanDerWaalsContact O-N 3.12Å; P5-A8 PolarHBondContact O-N 3.18Å; A8-M11 PolarHBondContact O-N 2.95Å; A8-F12 WeakPolarHBondContact O-CB 3.11Å; A8-F12 PolarHBondContact O-N 2.89Å
9A71.9Confident65.2Low67 Ų6796.9 Ų96.955%0.55458%0.58SS**Hα-helixtrans-65.5-41.5178.600000112.7P5 V7 F12 G13P5-A9 PolarHBondContact O-N 2.97Å; V7-A9 PolarHBondContact O-N 2.94Å; A9-F12 PolarHBondContact O-N 2.92Å; A9-G13 PolarHBondContact O-N 3.41Å
10V73.1Confident64.9Low94 Ų9495.9 Ų95.957%0.5758%0.582SS**Hα-helixtrans-66-40.8176.9173.90000110.9A6 V7 G13 L14A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.11Å; A6-V10 PolarHBondContact O-N 2.9Å; V7-V10 PolarHBondContact O-N 3.46Å; V10-G13 PolarHBondContact O-N 3.01Å; V10-L14 HydrophobicContact CG1-CD1 4.06Å; V10-L14 PolarHBondContact O-N 2.82Å
11M72.9Confident64.5Low111 Ų11196.5 Ų96.555%0.54758%0.582SS.*Hα-helixtrans-66.9-39.6177.6-67.1-58.8-68.600112.3V7 A8 L14 L15V7-M11 HydrophobicContact CG1-CG 4.37Å; V7-M11 WeakPolarHBondContact O-CG 3.22Å; V7-M11 PolarHBondContact O-N 2.88Å; A8-M11 PolarHBondContact O-N 2.95Å; M11-L14 PolarHBondContact O-N 3.03Å; M11-L15 WeakPolarHBondContact O-CB 3.29Å; M11-L15 PolarHBondContact O-N 2.02Å
12F74.2Confident64.7Low147 Ų14791.6 Ų91.665%0.64556%0.564SS**Hα-helixtrans-66.8-39.5175-117.3-91.2000112.1A8 A9 L15 L16A8-F12 WeakPolarHBondContact O-CB 3.11Å; A8-F12 PolarHBondContact O-N 2.89Å; A9-F12 PolarHBondContact O-N 2.92Å; F12-L15 PolarHBondContact O-N 2.87Å; F12-L16 HydrophobicContact CD1-CD1 4.46Å; F12-L16 WeakPolarHBondContact O-CB 3.35Å; F12-L16 VanDerWaalsContact O-CG 3.31Å; F12-L16 WeakPolarHBondContact O-CG 3.41Å; F12-L16 PolarHBondContact O-N 3.48Å
13G73Confident64.9Low40 Ų4087.7 Ų87.741%0.41256%0.558SS.*Hα-helixtrans-62.2-42.7174.900000112.8A9 V10 A17A9-G13 PolarHBondContact O-N 3.41Å; V10-G13 PolarHBondContact O-N 3.01Å; G13-A17 WeakPolarHBondContact O-CB 3.32Å; G13-A17 PolarHBondContact O-N 2.65Å
14L67.3Low64.7Low103 Ų10391.1 Ų91.154%0.53957%0.571SS.*Hα-helixtrans-64.5-41.1173.9-82.7158000112V10 M11 A17 V18V10-L14 HydrophobicContact CG1-CD1 4.06Å; V10-L14 PolarHBondContact O-N 2.82Å; M11-L14 PolarHBondContact O-N 3.03Å; L14-A17 PolarHBondContact O-N 3.23Å; L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.16Å; L14-V18 PolarHBondContact O-N 3.42Å
15L69.8Low64.4Low106 Ų10695.7 Ų95.756%0.55558%0.583SS**Hα-helixtrans-65.3-41.1178.8-138.7109000112.1M11 F12 V18 L19M11-L15 WeakPolarHBondContact O-CB 3.29Å; M11-L15 PolarHBondContact O-N 2.02Å; F12-L15 PolarHBondContact O-N 2.87Å; L15-V18 PolarHBondContact O-N 2.92Å; L15-L19 HydrophobicContact CD2-CD1 4.38Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 2.77Å; L15-L19 VanDerWaalsContact O-N 3.11Å
16L67.3Low64Low104 Ų104101 Ų10155%0.54559%0.592SS.*Hα-helixtrans-67.3-36175.5-71170.8000111.9F12 V18 L19 A20F12-L16 HydrophobicContact CD1-CD1 4.46Å; F12-L16 WeakPolarHBondContact O-CB 3.35Å; F12-L16 VanDerWaalsContact O-CG 3.31Å; F12-L16 WeakPolarHBondContact O-CG 3.41Å; F12-L16 PolarHBondContact O-N 3.48Å; L16-V18 VanDerWaalsContact C-N 3.34Å; L16-L19 PolarHBondContact O-N 3.08Å; L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.41Å; L16-A20 PolarHBondContact O-N 3.28Å
17A65.1Low63.5Low52 Ų52102.6 Ų102.643%0.4361%0.612SS.*Hα-helixtrans-65.5-35.4174.500000112.6G13 L14G13-A17 WeakPolarHBondContact O-CB 3.32Å; G13-A17 PolarHBondContact O-N 2.65Å; L14-A17 PolarHBondContact O-N 3.23Å
18V64.8Low62.8Low112 Ų112104.2 Ų104.268%0.67962%0.618SS**Hα-helixtrans-70.7-35.3174.4176.60000112L14 L15 L16L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.16Å; L14-V18 PolarHBondContact O-N 3.42Å; L15-V18 PolarHBondContact O-N 2.92Å; L16-V18 VanDerWaalsContact C-N 3.34Å
19L63Low62.3Low127 Ų127108.8 Ų108.867%0.66563%0.634SS**Hα-helixtrans-77.7-23.3178.2-68.8170.1000113.5L15 L16L15-L19 HydrophobicContact CD2-CD1 4.38Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 2.77Å; L15-L19 VanDerWaalsContact O-N 3.11Å; L16-L19 PolarHBondContact O-N 3.08Å
20A59.8Low62.2Low75 Ų75109.3 Ų109.362%0.6263%0.63SS**THydrogen-bonded Turntrans-84.2-3.2-179.800000114.7L16 P22L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.41Å; L16-A20 PolarHBondContact O-N 3.28Å; A20-P22 WeakPolarHBondContact O-CD 3.14Å
21L57.8Low62.3Low110 Ų110114 Ų11458%0.57664%0.644SS**  trans-113.573.1175-74158.8000110.7G23 L24L21-G23 VanDerWaalsContact C-N 3.27Å; L21-G23 PolarHBondContact O-N 3.34Å; L21-L24 HydrophobicContact CB-CD1 4.1Å; L21-L24 HydrophobicContact CD1-CD1 3.92Å; L21-L24 HydrophobicContact CD2-CD1 4.45Å; L21-L24 HydrophobicContact CG-CD1 4.39Å
22P51.3Low62.7Low127 Ų127117.7 Ų117.783%0.82565%0.651SS**THydrogen-bonded Turntrans-70.588.4171.230.4-31.2000108.2A20A20-P22 WeakPolarHBondContact O-CD 3.14Å
23G56.5Low63.3Low59 Ų59113.1 Ų113.161%0.60864%0.637SS**THydrogen-bonded Turntrans173.3-20.6176.300000117.3L21 L25L21-G23 VanDerWaalsContact C-N 3.27Å; L21-G23 PolarHBondContact O-N 3.34Å; G23-L25 VanDerWaalsContact C-N 3.3Å; G23-L25 PolarHBondContact O-N 2.89Å
24L53.5Low63.8Low138 Ų138114.2 Ų114.272%0.72364%0.637SS**THydrogen-bonded Turntrans-79.6-2.6-172.8-86.9149.1000115.5L21L21-L24 HydrophobicContact CB-CD1 4.1Å; L21-L24 HydrophobicContact CD1-CD1 3.92Å; L21-L24 HydrophobicContact CD2-CD1 4.45Å; L21-L24 HydrophobicContact CG-CD1 4.39Å
25L52.1Low64.7Low176 Ų176120 Ų12092%0.92165%0.652SS**THydrogen-bonded Turntrans-120.815-175.7-66.9176.7000114.8G23G23-L25 VanDerWaalsContact C-N 3.3Å; G23-L25 PolarHBondContact O-N 2.89Å
26R53.6Low65.5Low202 Ų202117 Ų11776%0.76264%0.639SS**  trans-109.182.7169.2-143.8174.5-172.7148.31.8108.6D28R26-D28 IonicContact NE-OD2 2.88Å; R26-D28 PolarHBondContact O-N 3.28Å
27G50.4Low66.3Low75 Ų75115.4 Ų115.477%0.77363%0.634SS**  trans-67.868.8164.700000109.7L29G27-L29 VanDerWaalsContact C-N 3.31Å; G27-L29 PolarHBondContact O-N 3.25Å
28D52.9Low67Low109 Ų109116 Ų11658%0.58364%0.639SS**  trans-74.593.4166.1-77.1-26.8000106.4R26 V30R26-D28 IonicContact NE-OD2 2.88Å; R26-D28 PolarHBondContact O-N 3.28Å; D28-V30 HydrophobicContact CB-CG2 4.02Å; D28-V30 PolarHBondContact O-N 3.07Å
29L58.2Low67.5Low150 Ų150118.3 Ų118.379%0.78564%0.642SS**  trans-64.779.2167.4-86.1150.9000108.7G27 F31G27-L29 VanDerWaalsContact C-N 3.31Å; G27-L29 PolarHBondContact O-N 3.25Å; L29-F31 PolarHBondContact O-N 2.03Å
30V70.1Confident68Low78 Ų78116.3 Ų116.347%0.47363%0.632SS.*  trans-84.899.8174.8-172.90000108.3D28 R32D28-V30 HydrophobicContact CB-CG2 4.02Å; D28-V30 PolarHBondContact O-N 3.07Å; V30-R32 HydrophobicContact CG1-CG 3.9Å; V30-R32 PolarHBondContact O-N 2.79Å; V30-R32 VanDerWaalsContact O-N 3.08Å
31F74.4Confident68.9Low194 Ų194117.6 Ų117.685%0.85163%0.625SS**  trans-64.2108.6169.8-65.7-83.1000109.3L29L29-F31 PolarHBondContact O-N 2.03Å
32R82.1Confident70Confident187 Ų187119 Ų11971%0.70663%0.633SS**  trans-108.6147.1174.6-68.2-169.2167.686.6-0.9109.4V30V30-R32 HydrophobicContact CG1-CG 3.9Å; V30-R32 PolarHBondContact O-N 2.79Å; V30-R32 VanDerWaalsContact O-N 3.08Å
33C85.6Confident71.6Confident51 Ų51116.3 Ų116.335%0.34563%0.629SS.*PPolyproline II helixtrans-58145.8168.8-71.30000110.2R55 C59C33-R55 PolarHBondContact SG-NH2 2.87Å; C33-R55 VanDerWaalsContact SG-NH2 3.35Å; C33-C59 VanDerWaalsContact CA-SG 3.54Å; C33-C59 HydrophobicContact CB-CB 3.76Å; C33-C59 WeakPolarHBondContact CB-SG 3.3Å; C33-C59 WeakPolarHBondContact SG-CA 3.37Å; C33-C59 WeakPolarHBondContact SG-CB 3.02Å; C33-C59 CovalentContact SG-SG 2.05Å; C33-C59 PolarHBondContact SG-SG 3.42Å
34P84.1Confident73.1Confident64 Ų64114.6 Ų114.642%0.41661%0.607SS.*PPolyproline II helixtrans-58.3153.7169.726.4-33.7000110.2L219P34-L219 HydrophobicContact CB-CD2 4.38Å; P34-L219 HydrophobicContact CG-CD2 4.13Å
35R86.2Confident74.7Confident225 Ų225112.2 Ų112.285%0.84960%0.599SS**PPolyproline II helixtrans-71.1139.9175.7-62.3-64.3-173.8166.61.5109.1T37R35-T37 PolarHBondContact O-N 3.22Å
36C86.4Confident76.3Confident42 Ų42113.2 Ų113.228%0.28460%0.597SS.*PPolyproline II helixtrans-74.6123.9171.8-60.50000109.4Q41 C61C36-Q41 HydrophobicContact CB-CG 4.46Å; C36-C61 WeakPolarHBondContact CA-SG 3.25Å; C36-C61 HydrophobicContact CB-CB 3.72Å; C36-C61 WeakPolarHBondContact CB-SG 3.3Å; C36-C61 WeakPolarHBondContact SG-CA 3.5Å; C36-C61 WeakPolarHBondContact SG-CB 3.49Å; C36-C61 CovalentContact SG-SG 2.04Å; C36-C61 PolarHBondContact SG-SG 3.14Å
37T85Confident77.8Confident71 Ų71106 Ų10644%0.43657%0.574SS.*PPolyproline II helixtrans-85.2158172.154.40000110.1R35 E39 N40 Q41R35-T37 PolarHBondContact O-N 3.22Å; T37-E39 VanDerWaalsContact C-N 3.26Å; T37-E39 PolarHBondContact O-N 3.35Å; T37-N40 PolarHBondContact O-N 2.84Å; T37-N40 PolarHBondContact OG1-ND2 2.86Å; T37-Q41 PolarHBondContact O-N 3.07Å
38A79.2Confident79Confident65 Ų65108.2 Ų108.254%0.53757%0.573SS.*Hα-helixtrans-58.6-40.3176.500000111.6N40 Q41 D42A38-N40 VanDerWaalsContact C-N 3.31Å; A38-N40 PolarHBondContact O-N 2.83Å; A38-Q41 WeakPolarHBondContact O-CA 3.09Å; A38-Q41 WeakPolarHBondContact O-CB 3.08Å; A38-Q41 PolarHBondContact O-N 2.82Å; A38-D42 VanDerWaalsContact O-CG 3.24Å; A38-D42 PolarHBondContact O-N 2.04Å
39E76.4Confident80.3Confident160 Ų160110.6 Ų110.675%0.74859%0.585SS**Hα-helixtrans-56.9-41.3176.7-171.4173.3-17000112.9T37 Q41T37-E39 VanDerWaalsContact C-N 3.26Å; T37-E39 PolarHBondContact O-N 3.35Å; E39-Q41 VanDerWaalsContact C-N 3.26Å; E39-Q41 PolarHBondContact O-N 2.89Å
40N72.8Confident81.7Confident85 Ų85105.2 Ų105.246%0.45556%0.56SS.*Hα-helixtrans-72.8-18.6177.1-73-6.3000113.2T37 A38 C44T37-N40 PolarHBondContact O-N 2.84Å; T37-N40 PolarHBondContact OG1-ND2 2.86Å; A38-N40 VanDerWaalsContact C-N 3.31Å; A38-N40 PolarHBondContact O-N 2.83Å; N40-C44 PolarHBondContact O-SG 3.31Å; N40-C44 VanDerWaalsContact O-SG 3.39Å
41Q78.4Confident82.5Confident102 Ų102107.9 Ų107.948%0.47758%0.577SS.*Hα-helixtrans-91.3-32.1178.5-70.2177.1-0.800112.2C36 T37 A38 E39 G43 C44C36-Q41 HydrophobicContact CB-CG 4.46Å; T37-Q41 PolarHBondContact O-N 3.07Å; A38-Q41 WeakPolarHBondContact O-CA 3.09Å; A38-Q41 WeakPolarHBondContact O-CB 3.08Å; A38-Q41 PolarHBondContact O-N 2.82Å; E39-Q41 VanDerWaalsContact C-N 3.26Å; E39-Q41 PolarHBondContact O-N 2.89Å; Q41-G43 PolarHBondContact O-N 3.39Å; Q41-C44 VanDerWaalsContact O-CB 3.31Å; Q41-C44 WeakPolarHBondContact O-CB 3.33Å; Q41-C44 PolarHBondContact O-N 3.11Å; Q41-C44 VanDerWaalsContact O-N 3.11Å
42D80.4Confident83.4Confident140 Ų140101.3 Ų101.375%0.74955%0.548SS*.Hα-helixtrans-65.2-27.5-179.7-68.9-24.2000112.5A38 C44A38-D42 VanDerWaalsContact O-CG 3.24Å; A38-D42 PolarHBondContact O-N 2.04Å; D42-C44 VanDerWaalsContact C-N 3.35Å
43G84.6Confident83.8Confident70 Ų7098.2 Ų98.272%0.72254%0.543SS*.THydrogen-bonded Turntrans-82.8-1.6175.200000115.4Q41Q41-G43 PolarHBondContact O-N 3.39Å
44C89.1Confident84.1Confident22 Ų2296.8 Ų96.815%0.14953%0.533CS..SBendtrans-73.4144.4-174.1-69.60000112.8N40 Q41 D42 K46 C62N40-C44 PolarHBondContact O-SG 3.31Å; N40-C44 VanDerWaalsContact O-SG 3.39Å; Q41-C44 VanDerWaalsContact O-CB 3.31Å; Q41-C44 WeakPolarHBondContact O-CB 3.33Å; Q41-C44 PolarHBondContact O-N 3.11Å; Q41-C44 VanDerWaalsContact O-N 3.11Å; D42-C44 VanDerWaalsContact C-N 3.35Å; C44-K46 PolarHBondContact O-N 2.95Å; C44-C62 VanDerWaalsContact CA-SG 3.57Å; C44-C62 HydrophobicContact CB-CB 3.69Å; C44-C62 WeakPolarHBondContact CB-SG 3.46Å; C44-C62 WeakPolarHBondContact SG-CA 3.4Å; C44-C62 WeakPolarHBondContact SG-CB 3.02Å; C44-C62 CovalentContact SG-SG 2.04Å; C44-C62 PolarHBondContact SG-SG 2.92Å
45P87.3Confident84.4Confident88 Ų8897.4 Ų97.457%0.57153%0.527SS*.  trans-62.4135.3175.426.5-33.4000110.5V47P45-V47 PolarHBondContact O-N 3.31Å
46K85.4Confident84.6Confident198 Ų19888.8 Ų88.886%0.86150%0.496SS*.  trans-70.9115.6175.2-73.7-176.7-179.8177.90109.8C44C44-K46 PolarHBondContact O-N 2.95Å
47V84.8Confident84.8Confident49 Ų4987 Ų8730%0.29749%0.485SS..  trans-97.1114.2176.3-169.40000108.7P45 C50 P63P45-V47 PolarHBondContact O-N 3.31Å; V47-C50 WeakPolarHBondContact CG1-SG 3.04Å; V47-P63 WeakPolarHBondContact CG2-O 3.45Å
48T75.3Confident84.9Confident122 Ų12285.3 Ų85.375%0.74848%0.481SS*.  trans-108-12.4-16950.40000115.2
49L81.5Confident85.4Confident159 Ų15983.7 Ų83.783%0.83247%0.465SS*.SBendtrans-137.864.2-170.5-87.4142.1000112
50C86.3Confident85.9Confident38 Ų3876.1 Ų76.126%0.25743%0.43SS..  trans-126.7146.6169.2-44.10000110.7V47 M53 C65V47-C50 WeakPolarHBondContact CG1-SG 3.04Å; C50-M53 HydrophobicContact CB-CG 4.47Å; C50-C65 HydrophobicContact CB-CB 3.75Å; C50-C65 WeakPolarHBondContact CB-SG 3.42Å; C50-C65 WeakPolarHBondContact SG-CA 3.49Å; C50-C65 WeakPolarHBondContact SG-CB 3.3Å; C50-C65 CovalentContact SG-SG 2.02Å; C50-C65 PolarHBondContact SG-SG 3.31Å
51T86.6Confident86.7Confident134 Ų13473.3 Ų73.382%0.82242%0.417SS*.SBendtrans-65.4-40.8168.9-47.50000111.5
52E92.9Very high87.2Confident55 Ų5569.4 Ų69.426%0.25740%0.401SS..SBendtrans-141.5138.3178.9-176.8-179.8158.200109.8V54 A66 S81 T82E52-V54 HydrophobicContact CG-CG1 4.48Å; E52-A66 HydrophobicContact CB-CB 3.91Å; E52-A66 HydrophobicContact CG-CB 4.16Å; E52-A66 PolarHBondContact O-N 3.08Å; E52-S81 WeakPolarHBondContact OE2-CA 3Å; E52-S81 WeakPolarHBondContact OE2-CB 3.49Å; E52-T82 VanDerWaalsContact CD-N 3.31Å; E52-T82 PolarHBondContact OE1-N 3.24Å; E52-T82 PolarHBondContact OE1-OG1 3.26Å; E52-T82 PolarHBondContact OE2-N 3.47Å
53M91.6Very high87.7Confident122 Ų12265.1 Ų65.160%0.60138%0.38SS*.EExtended strand (participates in β ladder)trans-101.8126.8174.7-72-177-75.900109.9C50 P63 V64C50-M53 HydrophobicContact CB-CG 4.47Å; M53-P63 HydrophobicContact CB-CB 4.45Å; M53-P63 HydrophobicContact SD-CB 4.3Å; M53-V64 WeakPolarHBondContact CA-O 3.36Å
54V92.1Very high88.1Confident21 Ų2163.2 Ų63.213%0.12736%0.355CS..EExtended strand (participates in β ladder)trans-120162.2175.3-66.90000109.6E52 P63 V64 A66 R79E52-V54 HydrophobicContact CG-CG1 4.48Å; V54-P63 WeakPolarHBondContact O-CA 3.25Å; V54-V64 HydrophobicContact CG2-CG2 4Å; V54-V64 PolarHBondContact N-O 3.04Å; V54-V64 PolarHBondContact O-N 3.21Å; V54-A66 HydrophobicContact CB-CB 4.48Å; V54-A66 HydrophobicContact CG1-CB 3.69Å; V54-A66 HydrophobicContact CG2-CB 4.04Å; V54-R79 HydrophobicContact CB-CB 4.22Å; V54-R79 HydrophobicContact CG1-CB 4.44Å; V54-R79 HydrophobicContact CG2-CB 3.99Å
55R89.8Confident88.3Confident77 Ų7764.8 Ų64.829%0.29137%0.365SS..EExtended strand (participates in β ladder)trans-68146.7172.2-161.1177.284.5128.7-15110.5C33 G58 C59 G60C33-R55 PolarHBondContact SG-NH2 2.87Å; C33-R55 VanDerWaalsContact SG-NH2 3.35Å; R55-G58 PolarHBondContact NH2-O 2.83Å; R55-C59 PolarHBondContact NH1-O 2.91Å; R55-C59 VanDerWaalsContact NH1-O 3.08Å; R55-G60 WeakPolarHBondContact CD-O 3.31Å; R55-G60 WeakPolarHBondContact CG-O 3.07Å; R55-G60 PolarHBondContact NE-O 3.38Å; R55-G60 PolarHBondContact NH1-O 2.03Å
56E91.1Very high88.7Confident44 Ų4461.1 Ų61.121%0.20634%0.342CS..  trans-44.7152.7165.2-79.7174.614400113.3G60 C61 C62 V64E56-G60 WeakPolarHBondContact OE2-CA 3.32Å; E56-C61 PolarHBondContact OE2-N 2.88Å; E56-C62 HydrophobicContact CG-CB 4.29Å; E56-C62 WeakPolarHBondContact CG-O 3.25Å; E56-C62 PolarHBondContact N-O 2.7Å; E56-C62 VanDerWaalsContact N-O 3.07Å; E56-C62 WeakPolarHBondContact OE2-CB 3.43Å; E56-C62 PolarHBondContact OE2-N 2.79Å; E56-V64 HydrophobicContact CG-CG1 3.59Å; E56-V64 HydrophobicContact CG-CG2 4.42Å
57P90.3Very high89.1Confident6 Ų655.6 Ų55.64%0.03932%0.316CS..SBendtrans-55.4162.5173.722.8-32.2000112C59 G60 G247P57-C59 PolarHBondContact O-N 2.92Å; P57-C59 VanDerWaalsContact O-N 3.14Å; P57-G60 PolarHBondContact O-N 2.78Å; P57-G247 WeakPolarHBondContact CG-O 3.49Å; P57-G247 VanDerWaalsContact O-CA 3.31Å; P57-G247 WeakPolarHBondContact O-CA 3.2Å
58G87.8Confident89.6Confident34 Ų3457.1 Ų57.135%0.35132%0.322SS..THydrogen-bonded Turntrans54-117.2-179.900000113R55R55-G58 PolarHBondContact NH2-O 2.83Å
59C88.1Confident90.6Very high32 Ų3256.2 Ų56.222%0.21631%0.309CS..THydrogen-bonded Turntrans-111.713.5-177.8-61.50000115.3C33 R55 P57C33-C59 VanDerWaalsContact CA-SG 3.54Å; C33-C59 HydrophobicContact CB-CB 3.76Å; C33-C59 WeakPolarHBondContact CB-SG 3.3Å; C33-C59 WeakPolarHBondContact SG-CA 3.37Å; C33-C59 WeakPolarHBondContact SG-CB 3.02Å; C33-C59 CovalentContact SG-SG 2.05Å; C33-C59 PolarHBondContact SG-SG 3.42Å; R55-C59 PolarHBondContact NH1-O 2.91Å; R55-C59 VanDerWaalsContact NH1-O 3.08Å; P57-C59 PolarHBondContact O-N 2.92Å; P57-C59 VanDerWaalsContact O-N 3.14Å
60G87.1Confident91.2Very high0 Ų050.2 Ų50.20%029%0.286CS..  trans-60.9149.1176.700000113R55 E56 P57R55-G60 WeakPolarHBondContact CD-O 3.31Å; R55-G60 WeakPolarHBondContact CG-O 3.07Å; R55-G60 PolarHBondContact NE-O 3.38Å; R55-G60 PolarHBondContact NH1-O 2.03Å; E56-G60 WeakPolarHBondContact OE2-CA 3.32Å; P57-G60 PolarHBondContact O-N 2.78Å
61C89.6Confident91.7Very high27 Ų2751.9 Ų51.918%0.18229%0.29CS..  trans-105-8.7-174.4-75.30000113.5C36 E56C36-C61 WeakPolarHBondContact CA-SG 3.25Å; C36-C61 HydrophobicContact CB-CB 3.72Å; C36-C61 WeakPolarHBondContact CB-SG 3.3Å; C36-C61 WeakPolarHBondContact SG-CA 3.5Å; C36-C61 WeakPolarHBondContact SG-CB 3.49Å; C36-C61 CovalentContact SG-SG 2.04Å; C36-C61 PolarHBondContact SG-SG 3.14Å; E56-C61 PolarHBondContact OE2-N 2.88Å
62C90.3Very high92.1Very high20 Ų2050.4 Ų50.414%0.13527%0.272CS..SBendtrans-86.2153.3-177.6-620000112.4C44 E56C44-C62 VanDerWaalsContact CA-SG 3.57Å; C44-C62 HydrophobicContact CB-CB 3.69Å; C44-C62 WeakPolarHBondContact CB-SG 3.46Å; C44-C62 WeakPolarHBondContact SG-CA 3.4Å; C44-C62 WeakPolarHBondContact SG-CB 3.02Å; C44-C62 CovalentContact SG-SG 2.04Å; C44-C62 PolarHBondContact SG-SG 2.92Å; E56-C62 HydrophobicContact CG-CB 4.29Å; E56-C62 WeakPolarHBondContact CG-O 3.25Å; E56-C62 PolarHBondContact N-O 2.7Å; E56-C62 VanDerWaalsContact N-O 3.07Å; E56-C62 WeakPolarHBondContact OE2-CB 3.43Å; E56-C62 PolarHBondContact OE2-N 2.79Å
63P90.8Very high92.3Very high49 Ų4947.9 Ų47.932%0.31826%0.26SS..EExtended strand (participates in β ladder)trans-77141.417131.5-33.2000110.7V47 M53 V54V47-P63 WeakPolarHBondContact CG2-O 3.45Å; M53-P63 HydrophobicContact CB-CB 4.45Å; M53-P63 HydrophobicContact SD-CB 4.3Å; V54-P63 WeakPolarHBondContact O-CA 3.25Å
64V92.6Very high92.5Very high31 Ų3142.7 Ų42.719%0.18824%0.238CC..EExtended strand (participates in β ladder)trans-134.5160.9171.8-66.80000109.9M53 V54 E56 A66 P78M53-V64 WeakPolarHBondContact CA-O 3.36Å; V54-V64 HydrophobicContact CG2-CG2 4Å; V54-V64 PolarHBondContact N-O 3.04Å; V54-V64 PolarHBondContact O-N 3.21Å; E56-V64 HydrophobicContact CG-CG1 3.59Å; E56-V64 HydrophobicContact CG-CG2 4.42Å; V64-A66 PolarHBondContact O-N 2.04Å; V64-P78 HydrophobicContact CG2-CB 3.94Å; V64-P78 HydrophobicContact CG2-CG 4.37Å
65C93.4Very high92.5Very high54 Ų5445.5 Ų45.537%0.36526%0.255SS..EExtended strand (participates in β ladder)trans-64.4136.4174.1-62.50000111C50 P78C50-C65 HydrophobicContact CB-CB 3.75Å; C50-C65 WeakPolarHBondContact CB-SG 3.42Å; C50-C65 WeakPolarHBondContact SG-CA 3.49Å; C50-C65 WeakPolarHBondContact SG-CB 3.3Å; C50-C65 CovalentContact SG-SG 2.02Å; C50-C65 PolarHBondContact SG-SG 3.31Å; C65-P78 WeakPolarHBondContact O-CB 3.45Å
66A94.9Very high92.6Very high11 Ų1145.1 Ų45.19%0.09125%0.254CS..PPolyproline II helixtrans-68.3147.9168.900000111.3E52 V54 V64 R79E52-A66 HydrophobicContact CB-CB 3.91Å; E52-A66 HydrophobicContact CG-CB 4.16Å; E52-A66 PolarHBondContact O-N 3.08Å; V54-A66 HydrophobicContact CB-CB 4.48Å; V54-A66 HydrophobicContact CG1-CB 3.69Å; V54-A66 HydrophobicContact CG2-CB 4.04Å; V64-A66 PolarHBondContact O-N 2.04Å; A66-R79 CarbonylContact C-O 3.59Å; A66-R79 VanDerWaalsContact CA-O 3.32Å; A66-R79 WeakPolarHBondContact CA-O 3.33Å
67R94.9Very high92.7Very high82 Ų8244.2 Ų44.231%0.30925%0.252SS..BIsolated β-bridgetrans-79.5138.3173.6-65.5-66.5-171.6153.13.7111.1E71 P78 R79 C80 S81 C106R67-E71 WeakPolarHBondContact CA-OE2 3.09Å; R67-E71 HydrophobicContact CB-CB 4.33Å; R67-E71 WeakPolarHBondContact CD-OE2 3.1Å; R67-P78 HydrophobicContact CG-CB 4.23Å; R67-P78 WeakPolarHBondContact CG-O 2.97Å; R67-R79 PolarHBondContact N-O 3.39Å; R67-C80 CarbonylContact O-C 3.54Å; R67-C80 WeakPolarHBondContact O-CA 3.04Å; R67-S81 PolarHBondContact O-N 3.18Å; R67-C106 WeakPolarHBondContact CB-SG 3.27Å
68L94.9Very high92.9Very high82 Ų8245.6 Ų45.643%0.42926%0.261SS..PPolyproline II helixtrans-86.6168-177.9-57.4177.9000112.1G70 E71 C106L68-G70 PolarHBondContact O-N 3.45Å; L68-E71 HydrophobicContact CB-CG 4.09Å; L68-E71 PolarHBondContact N-OE2 3.31Å; L68-E71 WeakPolarHBondContact O-CB 3.31Å; L68-E71 PolarHBondContact O-N 3.48Å; L68-E71 VanDerWaalsContact O-N 3.08Å; L68-C106 VanDerWaalsContact O-CB 3.29Å; L68-C106 WeakPolarHBondContact O-CB 3.45Å
69E95.8Very high93.2Very high103 Ų10350.4 Ų50.448%0.48127%0.268SS..THydrogen-bonded Turntrans-54.8129.4177.3-173.5169.1-160.500111.2E71 L84 R108E69-E71 VanDerWaalsContact C-N 3.28Å; E69-E71 PolarHBondContact O-N 3.33Å; E69-L84 HydrophobicContact CB-CD1 3.97Å; E69-L84 HydrophobicContact CB-CD2 4.28Å; E69-L84 HydrophobicContact CG-CD2 4.42Å; E69-L84 VanDerWaalsContact N-CD1 3.35Å; E69-R108 WeakPolarHBondContact OE1-CG 3.35Å; E69-R108 IonicContact OE1-CZ 3.64Å; E69-R108 IonicContact OE1-NE 3.18Å; E69-R108 PolarHBondContact OE1-NE 2.04Å; E69-R108 IonicContact OE1-NH2 3.71Å; E69-R108 IonicContact OE2-CZ 3.49Å; E69-R108 IonicContact OE2-NE 3.67Å; E69-R108 PolarHBondContact OE2-NE 3.23Å; E69-R108 IonicContact OE2-NH2 2.91Å; E69-R108 PolarHBondContact OE2-NH2 2.84Å
70G93.9Very high93.5Very high33 Ų3349.7 Ų49.734%0.3426%0.263SS..THydrogen-bonded Turntrans82.5-12.6-178.500000115.6L68 R105 C106L68-G70 PolarHBondContact O-N 3.45Å; G70-R105 PolarHBondContact O-NH1 3.42Å; G70-C106 PolarHBondContact N-O 3.39Å
71E96.3Very high93.9Very high72 Ų7250.7 Ų50.734%0.33627%0.27SS..  trans-67.9153.5176.7-67.5-165.5142.800112.5R67 L68 E69 R105 C106R67-E71 WeakPolarHBondContact CA-OE2 3.09Å; R67-E71 HydrophobicContact CB-CB 4.33Å; R67-E71 WeakPolarHBondContact CD-OE2 3.1Å; L68-E71 HydrophobicContact CB-CG 4.09Å; L68-E71 PolarHBondContact N-OE2 3.31Å; L68-E71 WeakPolarHBondContact O-CB 3.31Å; L68-E71 PolarHBondContact O-N 3.48Å; L68-E71 VanDerWaalsContact O-N 3.08Å; E69-E71 VanDerWaalsContact C-N 3.28Å; E69-E71 PolarHBondContact O-N 3.33Å; E71-R105 VanDerWaalsContact O-CA 3.3Å; E71-R105 WeakPolarHBondContact O-CA 3.45Å; E71-C106 PolarHBondContact O-N 3.41Å; E71-C106 VanDerWaalsContact O-N 3.07Å
72F96.4Very high94.1Very high104 Ų10454.9 Ų54.946%0.45630%0.296SS..EExtended strand (participates in β ladder)trans-67.4133.8175.6-72.1-68.9000111.8G104F72-G104 CarbonylContact C-O 3.52Å; F72-G104 VanDerWaalsContact CA-O 3.25Å; F72-G104 WeakPolarHBondContact CA-O 3.46Å
73C96.2Very high94.2Very high1 Ų155.9 Ų55.91%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-143.2164-177.870.50000112.1T77 C86 G102 G104 R105C73-T77 WeakPolarHBondContact CA-OG1 3.38Å; C73-C86 HydrophobicContact CB-CB 3.91Å; C73-C86 WeakPolarHBondContact CB-SG 3.11Å; C73-C86 WeakPolarHBondContact SG-CA 3.31Å; C73-C86 WeakPolarHBondContact SG-CB 3.08Å; C73-C86 CovalentContact SG-SG 2.03Å; C73-C86 PolarHBondContact SG-SG 3.32Å; C73-G102 CarbonylContact O-C 3.54Å; C73-G102 WeakPolarHBondContact O-CA 3.41Å; C73-G104 PolarHBondContact N-O 3.44Å; C73-G104 CarbonylContact O-C 3.53Å; C73-G104 VanDerWaalsContact O-CA 3.25Å; C73-G104 WeakPolarHBondContact O-CA 3.28Å; C73-G104 PolarHBondContact O-N 3.32Å; C73-G104 VanDerWaalsContact SG-C 3.51Å; C73-R105 PolarHBondContact SG-N 3.31Å; C73-R105 VanDerWaalsContact SG-N 3.42Å
74G95.1Very high94.4Very high13 Ų1355 Ų5513%0.13430%0.301CS..  trans-177.5-168.6177.300000113.5Y76 T77 C86 L99G74-Y76 VanDerWaalsContact C-N 3.3Å; G74-Y76 PolarHBondContact O-N 3.48Å; G74-T77 PolarHBondContact N-OG1 3.12Å; G74-T77 PolarHBondContact O-N 3.26Å; G74-T77 PolarHBondContact O-OG1 3.11Å; G74-C86 PolarHBondContact N-SG 3.32Å; G74-C86 VanDerWaalsContact N-SG 3.38Å; G74-L99 CarbonylContact C-O 3.5Å; G74-L99 WeakPolarHBondContact CA-O 3.29Å
75V93.5Very high94.5Very high80 Ų8058.2 Ų58.249%0.48532%0.317SS..THydrogen-bonded Turntrans-63.3-36.2-175.2177.90000112.4L99 I100V75-L99 HydrophobicContact CG2-CB 4.43Å; V75-L99 PolarHBondContact N-O 3.3Å; V75-I100 HydrophobicContact CG2-CG1 4.12Å
76Y91.9Very high94.6Very high69 Ų6957.3 Ų57.327%0.27131%0.311SS..THydrogen-bonded Turntrans-106.510.9-176.2-57-70.9000113.3G74 I100 S244 G247 R249G74-Y76 VanDerWaalsContact C-N 3.3Å; G74-Y76 PolarHBondContact O-N 3.48Å; Y76-I100 HydrophobicContact CE2-CG2 4.17Å; Y76-S244 PolarHBondContact OH-OG 2.94Å; Y76-G247 WeakPolarHBondContact CD1-O 3Å; Y76-R249 HydrophobicContact CD1-CB 4.26Å; Y76-R249 HydrophobicContact CD2-CB 4.34Å; Y76-R249 HydrophobicContact CE1-CB 4.35Å; Y76-R249 HydrophobicContact CE2-CB 4.42Å; Y76-R249 HydrophobicContact CE2-CG 4.36Å; Y76-R249 HydrophobicContact CG-CB 4.25Å
77T93.1Very high94.6Very high26 Ų2658 Ų5816%0.1632%0.315CS..SBendtrans-99.8164.1176.872.80000110.5C73 G74C73-T77 WeakPolarHBondContact CA-OG1 3.38Å; G74-T77 PolarHBondContact N-OG1 3.12Å; G74-T77 PolarHBondContact O-N 3.26Å; G74-T77 PolarHBondContact O-OG1 3.11Å
78P93.4Very high94.7Very high34 Ų3456.1 Ų56.122%0.22131%0.313CS..PPolyproline II helixtrans-52.9148.4166-23.733.8000111.4V64 C65 R67V64-P78 HydrophobicContact CG2-CB 3.94Å; V64-P78 HydrophobicContact CG2-CG 4.37Å; C65-P78 WeakPolarHBondContact O-CB 3.45Å; R67-P78 HydrophobicContact CG-CB 4.23Å; R67-P78 WeakPolarHBondContact CG-O 2.97Å
79R94.2Very high94.5Very high136 Ų13655.1 Ų55.151%0.51331%0.313SS..PPolyproline II helixtrans-70.2154.2-179-62.6178.3178.5-91.3-4110.6V54 A66 R67V54-R79 HydrophobicContact CB-CB 4.22Å; V54-R79 HydrophobicContact CG1-CB 4.44Å; V54-R79 HydrophobicContact CG2-CB 3.99Å; A66-R79 CarbonylContact C-O 3.59Å; A66-R79 VanDerWaalsContact CA-O 3.32Å; A66-R79 WeakPolarHBondContact CA-O 3.33Å; R67-R79 PolarHBondContact N-O 3.39Å
80C95.8Very high94.1Very high16 Ų1658.3 Ų58.311%0.10833%0.33CS..BIsolated β-bridgetrans-66.3154.9170.4-52.90000110.9R67 L84 C106R67-C80 CarbonylContact O-C 3.54Å; R67-C80 WeakPolarHBondContact O-CA 3.04Å; C80-L84 HydrophobicContact CB-CB 3.58Å; C80-L84 HydrophobicContact CB-CD1 4.49Å; C80-C106 HydrophobicContact CB-CB 3.72Å; C80-C106 WeakPolarHBondContact CB-SG 3.13Å; C80-C106 WeakPolarHBondContact SG-CA 3.45Å; C80-C106 WeakPolarHBondContact SG-CB 3.07Å; C80-C106 CovalentContact SG-SG 2.03Å; C80-C106 PolarHBondContact SG-SG 3.09Å
81S94.6Very high93.8Very high21 Ų2163.9 Ų63.915%0.14735%0.352CS..PPolyproline II helixtrans-60162.6173.762.80000111.6E52 R67 G83 L84E52-S81 WeakPolarHBondContact OE2-CA 3Å; E52-S81 WeakPolarHBondContact OE2-CB 3.49Å; R67-S81 PolarHBondContact O-N 3.18Å; S81-G83 PolarHBondContact O-N 3.19Å; S81-L84 WeakPolarHBondContact O-CB 3.47Å; S81-L84 PolarHBondContact O-N 2.95Å; S81-L84 WeakPolarHBondContact OG-CD1 3.02Å
82T93.2Very high93.3Very high116 Ų11661.8 Ų61.871%0.71235%0.347SS*.THydrogen-bonded Turntrans-51.6135.8178-65.30000110.7E52 L84E52-T82 VanDerWaalsContact CD-N 3.31Å; E52-T82 PolarHBondContact OE1-N 3.24Å; E52-T82 PolarHBondContact OE1-OG1 3.26Å; E52-T82 PolarHBondContact OE2-N 3.47Å; T82-L84 VanDerWaalsContact C-N 3.3Å; T82-L84 PolarHBondContact O-N 3.39Å
83G92.4Very high93Very high40 Ų4065.8 Ų65.841%0.41237%0.367SS..THydrogen-bonded Turntrans81.5-1.7-176.500000115.3S81 S109S81-G83 PolarHBondContact O-N 3.19Å; G83-S109 WeakPolarHBondContact O-CB 3.41Å; G83-S109 PolarHBondContact O-N 3.38Å
84L95Very high92.8Very high31 Ų3171.5 Ų71.516%0.16240%0.397CS..EExtended strand (participates in β ladder)trans-110.8143175.5-56.4-176.6000111.9E69 C80 S81 T82 C106 T107 R108E69-L84 HydrophobicContact CB-CD1 3.97Å; E69-L84 HydrophobicContact CB-CD2 4.28Å; E69-L84 HydrophobicContact CG-CD2 4.42Å; E69-L84 VanDerWaalsContact N-CD1 3.35Å; C80-L84 HydrophobicContact CB-CB 3.58Å; C80-L84 HydrophobicContact CB-CD1 4.49Å; S81-L84 WeakPolarHBondContact O-CB 3.47Å; S81-L84 PolarHBondContact O-N 2.95Å; S81-L84 WeakPolarHBondContact OG-CD1 3.02Å; T82-L84 VanDerWaalsContact C-N 3.3Å; T82-L84 PolarHBondContact O-N 3.39Å; L84-C106 HydrophobicContact CB-CB 4.3Å; L84-C106 HydrophobicContact CD1-CB 3.96Å; L84-T107 CarbonylContact C-O 3.58Å; L84-T107 VanDerWaalsContact CA-O 3.3Å; L84-T107 WeakPolarHBondContact CA-O 3.03Å; L84-R108 HydrophobicContact CD2-CG 3.92Å
85L95.3Very high92.7Very high99 Ų9973.5 Ų73.552%0.51841%0.408SS..EExtended strand (participates in β ladder)trans-114.9140.8173.4-177.464.8000109.9S87 T107L85-S87 PolarHBondContact O-N 3.36Å; L85-T107 PolarHBondContact N-O 2.83Å; L85-T107 PolarHBondContact O-N 3.3Å; L85-T107 PolarHBondContact O-OG1 3.07Å
86C96.3Very high92.8Very high35 Ų3576 Ų7624%0.23642%0.418CS..EExtended strand (participates in β ladder)trans-79.3110.1172.9-173.70000110.5C73 G74C73-C86 HydrophobicContact CB-CB 3.91Å; C73-C86 WeakPolarHBondContact CB-SG 3.11Å; C73-C86 WeakPolarHBondContact SG-CA 3.31Å; C73-C86 WeakPolarHBondContact SG-CB 3.08Å; C73-C86 CovalentContact SG-SG 2.03Å; C73-C86 PolarHBondContact SG-SG 3.32Å; G74-C86 PolarHBondContact N-SG 3.32Å; G74-C86 VanDerWaalsContact N-SG 3.38Å
87S95.4Very high92.7Very high24 Ų2476.8 Ų76.817%0.16842%0.424CS..EExtended strand (participates in β ladder)trans-117.6142.8-174.9-68.10000111.8L85 G104 R105 T107L85-S87 PolarHBondContact O-N 3.36Å; S87-G104 CarbonylContact O-C 3.49Å; S87-G104 VanDerWaalsContact O-CA 3.25Å; S87-G104 WeakPolarHBondContact O-CA 3.28Å; S87-R105 PolarHBondContact N-O 3.04Å; S87-R105 PolarHBondContact O-N 3.08Å; S87-T107 PolarHBondContact OG-OG1 2.79Å
88P96Very high92.8Very high43 Ų4377.3 Ų77.328%0.27943%0.425SS..  trans-71170.6172.630.9-32.2000110.9P95 L99P88-P95 HydrophobicContact CB-CB 3.81Å; P88-P95 HydrophobicContact CG-CB 3.79Å; P88-L99 HydrophobicContact CB-CD2 4.45Å; P88-L99 HydrophobicContact CB-CG 4.2Å; P88-L99 HydrophobicContact CG-CD1 4.42Å
89S91.6Very high92.8Very high62 Ų6277.2 Ų77.243%0.43442%0.422SS..  trans-67.3146.2172-167.90000110.4D91 A92 Q98S89-D91 PolarHBondContact O-N 2.88Å; S89-A92 WeakPolarHBondContact O-CB 3.47Å; S89-A92 PolarHBondContact O-N 3.25Å; S89-Q98 VanDerWaalsContact N-OE1 3.12Å
90M86Confident92.8Very high169 Ų16973.5 Ų73.583%0.83341%0.412SS*.THydrogen-bonded Turntrans-63.8-30.1-179.9-62.4-62.7162.600112.3
91D87.1Confident92.6Very high151 Ų15177.3 Ų77.381%0.80743%0.428SS*.THydrogen-bonded Turntrans-100.816.2-176.6-51.9-50.4000113.1S89 E93S89-D91 PolarHBondContact O-N 2.88Å; D91-E93 PolarHBondContact O-N 2.97Å
92A86.1Confident92.5Very high27 Ų2777 Ų7722%0.22343%0.427CS..  trans-75.6123.5-176.700000111.7S89 L94 P95S89-A92 WeakPolarHBondContact O-CB 3.47Å; S89-A92 PolarHBondContact O-N 3.25Å; A92-L94 PolarHBondContact O-N 3.14Å; A92-P95 HydrophobicContact CB-CG 4.32Å; A92-P95 WeakPolarHBondContact O-CD 3.47Å; A92-P95 WeakPolarHBondContact O-CG 3.43Å
93E90.4Very high92.6Very high189 Ų18976.7 Ų76.788%0.88342%0.416SS*.SBendtrans-61.8-32.2172.6-64.7-174.5170.700112.3D91D91-E93 PolarHBondContact O-N 2.97Å
94L92.8Very high92.8Very high120 Ų12074.8 Ų74.863%0.62840%0.397SS*.SBendtrans-130.676-179-61.7172.5000111.7A92 L96 Q97 Q98A92-L94 PolarHBondContact O-N 3.14Å; L94-L96 PolarHBondContact O-N 2.05Å; L94-Q97 HydrophobicContact CB-CB 3.83Å; L94-Q97 PolarHBondContact O-N 2.65Å; L94-Q98 PolarHBondContact O-N 3.05Å
95P93.4Very high92.8Very high56 Ų5679 Ų7936%0.36441%0.411SS..Hα-helixtrans-59.5-41.7-172.5-25.534.5000114.3P88 A92 Q98 L99P88-P95 HydrophobicContact CB-CB 3.81Å; P88-P95 HydrophobicContact CG-CB 3.79Å; A92-P95 HydrophobicContact CB-CG 4.32Å; A92-P95 WeakPolarHBondContact O-CD 3.47Å; A92-P95 WeakPolarHBondContact O-CG 3.43Å; P95-Q98 WeakPolarHBondContact O-CB 3.41Å; P95-Q98 PolarHBondContact O-N 3.44Å; P95-L99 PolarHBondContact O-N 3.28Å
96L94.4Very high92.9Very high133 Ų13374.3 Ų74.370%0.69639%0.386SS*.Hα-helixtrans-66.6-41.7179.1-66.8177.1000111.8L94 Q98 L99 I100L94-L96 PolarHBondContact O-N 2.05Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.4Å; L96-L99 PolarHBondContact O-N 3.2Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 2.93Å
97Q91Very high92.8Very high84 Ų8475.3 Ų75.339%0.39339%0.391SS..Hα-helixtrans-63.4-39.9178.3-176.768.1-13.100110.8L94 L99 I100 Q101L94-Q97 HydrophobicContact CB-CB 3.83Å; L94-Q97 PolarHBondContact O-N 2.65Å; Q97-L99 PolarHBondContact O-N 3.32Å; Q97-I100 PolarHBondContact O-N 3.35Å; Q97-Q101 VanDerWaalsContact NE2-NE2 3.19Å; Q97-Q101 WeakPolarHBondContact O-CB 3.23Å; Q97-Q101 VanDerWaalsContact O-CG 3.23Å; Q97-Q101 WeakPolarHBondContact O-CG 3.21Å; Q97-Q101 PolarHBondContact O-N 3.33Å
98Q94.1Very high92.7Very high38 Ų3882.5 Ų82.518%0.17842%0.415CS..Hα-helixtrans-59.2-44.7174.9-169.7-175.5-8.300112S89 L94 P95 L96 Q101 G102 F103S89-Q98 VanDerWaalsContact N-OE1 3.12Å; L94-Q98 PolarHBondContact O-N 3.05Å; P95-Q98 WeakPolarHBondContact O-CB 3.41Å; P95-Q98 PolarHBondContact O-N 3.44Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.4Å; Q98-Q101 PolarHBondContact O-N 3.05Å; Q98-G102 PolarHBondContact O-N 2.94Å; Q98-G102 VanDerWaalsContact O-N 3.11Å; Q98-F103 HydrophobicContact CG-CB 3.4Å; Q98-F103 PolarHBondContact NE2-O 3.47Å; Q98-F103 PolarHBondContact O-N 3.44Å
99L94.5Very high92Very high32 Ų3283 Ų8317%0.16842%0.419CS..Hα-helixtrans-66.6-39.4176.2-68.8173.3000112.5G74 V75 P88 P95 L96 Q97 Q101 G102G74-L99 CarbonylContact C-O 3.5Å; G74-L99 WeakPolarHBondContact CA-O 3.29Å; V75-L99 HydrophobicContact CG2-CB 4.43Å; V75-L99 PolarHBondContact N-O 3.3Å; P88-L99 HydrophobicContact CB-CD2 4.45Å; P88-L99 HydrophobicContact CB-CG 4.2Å; P88-L99 HydrophobicContact CG-CD1 4.42Å; P95-L99 PolarHBondContact O-N 3.28Å; L96-L99 PolarHBondContact O-N 3.2Å; Q97-L99 PolarHBondContact O-N 3.32Å; L99-Q101 PolarHBondContact O-N 3.32Å; L99-G102 PolarHBondContact O-N 3.27Å
100I92.4Very high91.1Very high58 Ų5886.1 Ų86.130%0.29744%0.435SS..Hα-helixtrans-62.6-34174.8-71.7168.5000110.9V75 Y76 L96 Q97V75-I100 HydrophobicContact CG2-CG1 4.12Å; Y76-I100 HydrophobicContact CE2-CG2 4.17Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 2.93Å; Q97-I100 PolarHBondContact O-N 3.35Å
101Q91.6Very high89.5Confident96 Ų9684.9 Ų84.945%0.44943%0.428SS..Hα-helixtrans-82.2-9.4178-69.7173.54.700113.9Q97 Q98 L99 F103Q97-Q101 VanDerWaalsContact NE2-NE2 3.19Å; Q97-Q101 WeakPolarHBondContact O-CB 3.23Å; Q97-Q101 VanDerWaalsContact O-CG 3.23Å; Q97-Q101 WeakPolarHBondContact O-CG 3.21Å; Q97-Q101 PolarHBondContact O-N 3.33Å; Q98-Q101 PolarHBondContact O-N 3.05Å; L99-Q101 PolarHBondContact O-N 3.32Å; Q101-F103 HydrophobicContact CB-CD2 3.5Å; Q101-F103 HydrophobicContact CB-CE2 3.71Å; Q101-F103 HydrophobicContact CB-CG 4.41Å; Q101-F103 HydrophobicContact CG-CD2 4.49Å; Q101-F103 HydrophobicContact CG-CE2 4.44Å; Q101-F103 VanDerWaalsContact OE1-CE2 3.24Å
102G93.9Very high87.5Confident13 Ų1384.9 Ų84.913%0.13442%0.423CS..THydrogen-bonded Turntrans83.616.5-179.200000114.7C73 Q98 L99C73-G102 CarbonylContact O-C 3.54Å; C73-G102 WeakPolarHBondContact O-CA 3.41Å; Q98-G102 PolarHBondContact O-N 2.94Å; Q98-G102 VanDerWaalsContact O-N 3.11Å; L99-G102 PolarHBondContact O-N 3.27Å
103F95Very high85.2Confident110 Ų11089.9 Ų89.948%0.48245%0.446SS..  trans-94.96.6-179.4-66.2-50000113.5Q98 Q101Q98-F103 HydrophobicContact CG-CB 3.4Å; Q98-F103 PolarHBondContact NE2-O 3.47Å; Q98-F103 PolarHBondContact O-N 3.44Å; Q101-F103 HydrophobicContact CB-CD2 3.5Å; Q101-F103 HydrophobicContact CB-CE2 3.71Å; Q101-F103 HydrophobicContact CB-CG 4.41Å; Q101-F103 HydrophobicContact CG-CD2 4.49Å; Q101-F103 HydrophobicContact CG-CE2 4.44Å; Q101-F103 VanDerWaalsContact OE1-CE2 3.24Å
104G95.7Very high82.9Confident0 Ų088 Ų880%044%0.441CS..EExtended strand (participates in β ladder)trans-67.8174.1169.100000111.5F72 C73 S87F72-G104 CarbonylContact C-O 3.52Å; F72-G104 VanDerWaalsContact CA-O 3.25Å; F72-G104 WeakPolarHBondContact CA-O 3.46Å; C73-G104 PolarHBondContact N-O 3.44Å; C73-G104 CarbonylContact O-C 3.53Å; C73-G104 VanDerWaalsContact O-CA 3.25Å; C73-G104 WeakPolarHBondContact O-CA 3.28Å; C73-G104 PolarHBondContact O-N 3.32Å; C73-G104 VanDerWaalsContact SG-C 3.51Å; S87-G104 CarbonylContact O-C 3.49Å; S87-G104 VanDerWaalsContact O-CA 3.25Å; S87-G104 WeakPolarHBondContact O-CA 3.28Å
105R96.7Very high80.2Confident120 Ų12086.4 Ų86.445%0.45344%0.44SS..EExtended strand (participates in β ladder)trans-129.4144.9174.1-67.3-172.8-177.7-86.50.8111.9G70 E71 C73 S87 T107G70-R105 PolarHBondContact O-NH1 3.42Å; E71-R105 VanDerWaalsContact O-CA 3.3Å; E71-R105 WeakPolarHBondContact O-CA 3.45Å; C73-R105 PolarHBondContact SG-N 3.31Å; C73-R105 VanDerWaalsContact SG-N 3.42Å; S87-R105 PolarHBondContact N-O 3.04Å; S87-R105 PolarHBondContact O-N 3.08Å; R105-T107 PolarHBondContact O-N 3.48Å
106C96.8Very high78.1Confident1 Ų190.4 Ų90.41%0.00746%0.457CS..EExtended strand (participates in β ladder)trans-73.2111.9171.3-65.90000109.8R67 L68 G70 E71 C80 L84R67-C106 WeakPolarHBondContact CB-SG 3.27Å; L68-C106 VanDerWaalsContact O-CB 3.29Å; L68-C106 WeakPolarHBondContact O-CB 3.45Å; G70-C106 PolarHBondContact N-O 3.39Å; E71-C106 PolarHBondContact O-N 3.41Å; E71-C106 VanDerWaalsContact O-N 3.07Å; C80-C106 HydrophobicContact CB-CB 3.72Å; C80-C106 WeakPolarHBondContact CB-SG 3.13Å; C80-C106 WeakPolarHBondContact SG-CA 3.45Å; C80-C106 WeakPolarHBondContact SG-CB 3.07Å; C80-C106 CovalentContact SG-SG 2.03Å; C80-C106 PolarHBondContact SG-SG 3.09Å; L84-C106 HydrophobicContact CB-CB 4.3Å; L84-C106 HydrophobicContact CD1-CB 3.96Å
107T94.6Very high75.2Confident56 Ų5691.6 Ų91.634%0.34446%0.464SS..EExtended strand (participates in β ladder)trans-119.1153.1-179.855.10000110.2L84 L85 S87 R105 S109L84-T107 CarbonylContact C-O 3.58Å; L84-T107 VanDerWaalsContact CA-O 3.3Å; L84-T107 WeakPolarHBondContact CA-O 3.03Å; L85-T107 PolarHBondContact N-O 2.83Å; L85-T107 PolarHBondContact O-N 3.3Å; L85-T107 PolarHBondContact O-OG1 3.07Å; S87-T107 PolarHBondContact OG-OG1 2.79Å; R105-T107 PolarHBondContact O-N 3.48Å; T107-S109 PolarHBondContact O-N 2.85Å
108R93.3Very high72.8Confident175 Ų17594.7 Ų94.766%0.6648%0.483SS*.EExtended strand (participates in β ladder)trans-56126.6176.1-68.9178.8-168.8178.7-0.5110.8E69 L84 V110E69-R108 WeakPolarHBondContact OE1-CG 3.35Å; E69-R108 IonicContact OE1-CZ 3.64Å; E69-R108 IonicContact OE1-NE 3.18Å; E69-R108 PolarHBondContact OE1-NE 2.04Å; E69-R108 IonicContact OE1-NH2 3.71Å; E69-R108 IonicContact OE2-CZ 3.49Å; E69-R108 IonicContact OE2-NE 3.67Å; E69-R108 PolarHBondContact OE2-NE 3.23Å; E69-R108 IonicContact OE2-NH2 2.91Å; E69-R108 PolarHBondContact OE2-NH2 2.84Å; L84-R108 HydrophobicContact CD2-CG 3.92Å; R108-V110 PolarHBondContact O-N 3.14Å
109S81.3Confident69.9Low53 Ų53100.8 Ų100.837%0.37152%0.516SS..  trans-66117.1169.7-164.20000106.7G83 T107 E111G83-S109 WeakPolarHBondContact O-CB 3.41Å; G83-S109 PolarHBondContact O-N 3.38Å; T107-S109 PolarHBondContact O-N 2.85Å; S109-E111 PolarHBondContact O-N 3.37Å
110V71.9Confident67.3Low128 Ų128104.3 Ų104.378%0.77654%0.54SS*.  trans-74.890.4167.5-174.70000105R108 Q112R108-V110 PolarHBondContact O-N 3.14Å; V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.06Å
111E52.2Low64.3Low143 Ų143108.4 Ų108.467%0.66857%0.568SS**  trans-58.2100163.6-69.8-178.7163.400105.8S109 D113S109-E111 PolarHBondContact O-N 3.37Å; E111-D113 PolarHBondContact O-N 2.8Å
112Q46.3Very low61.6Low151 Ų151112 Ų11271%0.70659%0.59SS**  trans-67.986.6160.2-97177.2-28.300105.6V110 L114V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.06Å; Q112-L114 PolarHBondContact O-N 3.32Å
113D36.1Very low58.6Low131 Ų131114.2 Ų114.270%0.70161%0.614SS**  trans-54.394.4151.5-80.4-30.1000106.5E111 S115E111-D113 PolarHBondContact O-N 2.8Å; D113-S115 PolarHBondContact O-N 3.41Å
114L43.1Very low56Low150 Ų150117 Ų11779%0.78563%0.634SS**  trans-73.556.4163.3-72.7168.7000108.5Q112Q112-L114 PolarHBondContact O-N 3.32Å
115S36.5Very low53Low86 Ų86126.3 Ų126.360%0.60167%0.674SS**  trans-88.2102.2152.9510000106.3D113 D117D113-S115 PolarHBondContact O-N 3.41Å; S115-D117 PolarHBondContact O-N 3.32Å
116L47.8Very low50.1Low141 Ų141128.4 Ų128.474%0.73869%0.689SS**  trans-54.5102.8163.7-100.882.6000108.1
117D34.9Very low47.1Very low157 Ų157135.2 Ų135.284%0.8472%0.724SS**  trans-124.8102.3149.5-88.1-35000107.9S115 L119S115-D117 PolarHBondContact O-N 3.32Å; D117-L119 PolarHBondContact O-N 3.17Å
118L39.3Very low44.2Very low149 Ų149140.7 Ų140.778%0.7874%0.744SS**  trans-66120.8170-71.4149.9000108.3
119L33.1Very low41Very low167 Ų167140.9 Ų140.987%0.87475%0.75SS**  -171.2155.5117-11492.4000111.4D117D117-L119 PolarHBondContact O-N 3.17Å
120P40.3Very low38.4Very low105 Ų105149.7 Ų149.768%0.68278%0.775SS**  trans-100.2143.7-15237.6-33.6000112.8
121T29.8Very low36.4Very low144 Ų144147.3 Ų147.388%0.88376%0.764SS**  trans-148.7108145.837.10000110.8
122N35.2Very low35.6Very low171 Ų171147.2 Ų147.291%0.91477%0.768SS**  trans26.8113.2138.9-148.917.7000118.5
123G31.4Very low34.9Very low61 Ų61148 Ų14863%0.62977%0.772SS**  trans151.478.8162.800000114.8K125G123-K125 PolarHBondContact O-N 3.35Å
124N39.7Very low34.8Very low168 Ų168148 Ų14890%0.89878%0.776SS**  trans18.587.9156.2-58.5-10.9000117.3
125K32Very low34.2Very low196 Ų196146.8 Ų146.885%0.85278%0.775SS**  trans-104.8111.3157.4-71.4-177.5-178.41770108.5G123 L127G123-K125 PolarHBondContact O-N 3.35Å; K125-L127 PolarHBondContact O-N 3.29Å
126H35.9Very low34.1Very low163 Ų163147.9 Ų147.976%0.75578%0.783SS**  trans-69.887.4167.1-143.7-95000107.3F128H126-F128 AromaticContact ND1-CE2 3.88Å; H126-F128 AromaticContact ND1-CZ 3.92Å; H126-F128 PolarHBondContact O-N 3.24Å
127L34.2Very low33.6Very low144 Ų144148.4 Ų148.475%0.75479%0.786SS**  trans-77.9102.8179.2-174.769.7000108.4K125 K129K125-L127 PolarHBondContact O-N 3.29Å; L127-K129 PolarHBondContact O-N 2.82Å; L127-K129 VanDerWaalsContact O-N 3.12Å
128F33.8Very low33.4Very low172 Ų172148.1 Ų148.175%0.75478%0.784SS**  trans-67108.9171.6-78.3-86.9000109.7H126 W130H126-F128 AromaticContact ND1-CE2 3.88Å; H126-F128 AromaticContact ND1-CZ 3.92Å; H126-F128 PolarHBondContact O-N 3.24Å; F128-W130 PolarHBondContact O-N 2.84Å
129K26.2Very low33.1Very low179 Ų179148.9 Ų148.978%0.77879%0.788SS**  trans-74.1113.6173.4-178.6175-178.5175.70108.8L127 S131L127-K129 PolarHBondContact O-N 2.82Å; L127-K129 VanDerWaalsContact O-N 3.12Å; K129-S131 VanDerWaalsContact C-N 3.3Å; K129-S131 PolarHBondContact O-N 2.99Å
130W27.6Very low33.2Very low237 Ų237147 Ų14790%0.89879%0.787SS**  trans-71.691157.8-83.880.4000107.7F128 N132F128-W130 PolarHBondContact O-N 2.84Å; W130-N132 PolarHBondContact O-N 2.84Å
131S30.1Very low32.7Very low79 Ų79148.6 Ų148.655%0.55279%0.789SS**  trans-80.699.2168.452.70000109K129 E133K129-S131 VanDerWaalsContact C-N 3.3Å; K129-S131 PolarHBondContact O-N 2.99Å; S131-E133 PolarHBondContact O-N 3.15Å
132N33.4Very low33Very low140 Ų140147.1 Ų147.175%0.74979%0.785SS**  trans-77.197.7149.6-68.5-24.9000106.2W130 V134W130-N132 PolarHBondContact O-N 2.84Å; N132-V134 PolarHBondContact O-N 2.98Å
133E32.3Very low32.9Very low168 Ų168144 Ų14479%0.78578%0.783SS**  trans-63.3102.3167.8-93.2-179.2130.300109.2S131S131-E133 PolarHBondContact O-N 3.15Å
134V33.5Very low32.9Very low132 Ų132149.9 Ų149.980%0.879%0.794SS**  trans-121.397.3150.1-174.40000105.8N132 S136N132-V134 PolarHBondContact O-N 2.98Å; V134-S136 VanDerWaalsContact C-N 3.31Å; V134-S136 PolarHBondContact O-N 2.65Å
135T31.2Very low32.3Very low123 Ų123148 Ų14876%0.75579%0.788SS**  trans-62.288.1178.5-430000109.7
136S34.3Very low32.1Very low110 Ų110147.1 Ų147.177%0.76979%0.787SS**  trans-96.8115163.7171.90000108.2V134 N138V134-S136 VanDerWaalsContact C-N 3.31Å; V134-S136 PolarHBondContact O-N 2.65Å; S136-N138 PolarHBondContact O-N 3.01Å
137L36.7Very low31.7Very low152 Ų152144 Ų14480%0.79678%0.784SS**  trans-53.9123.9-174.5-70.2151.8000113.4
138N31.6Very low31.5Very low151 Ų151144.3 Ų144.381%0.80779%0.792SS**  trans7.6117.9148.2-67.5-28000118.9S136S136-N138 PolarHBondContact O-N 3.01Å
139L33.5Very low31.6Very low164 Ų164145 Ų14586%0.85980%0.797SS**  trans-116.597.3145.8-169.374.1000107.5
140C34.1Very low31.8Very low127 Ų127142 Ų14286%0.85880%0.798SS**  trans-111.5109.3167.6-117.30000108.6
141L30.7Very low32.3Very low140 Ų140136.5 Ų136.573%0.73379%0.793SS**  trans-66.8129.8163.9-109.474.3000109.5
142S36.4Very low32.9Very low112 Ų112139.9 Ų139.978%0.78380%0.804SS**  trans40.5110.3140.8-36.20000119.9
143A31.3Very low33.2Very low107 Ų107139 Ų13988%0.88480%0.804SS**  trans-145.5125.613900000108.7
144E32Very low33.7Very low184 Ų184139.8 Ų139.886%0.8681%0.805SS**  trans-80.2169.1-173.9-73.5164135.400113.8
145V26.9Very low34.1Very low127 Ų127143.7 Ų143.777%0.7781%0.805SS**  trans96.898.9155.4-167.30000116.9
146H27.8Very low34.8Very low178 Ų178143 Ų14382%0.82480%0.803SS**  -174.9143.993.2-143.175000111.4
147S27.6Very low35.7Very low99 Ų99146.6 Ų146.669%0.69281%0.812SS**  trans-65.8150.7-166.5-51.10000116.8
148T31.3Very low36.4Very low150 Ų150145.6 Ų145.692%0.9281%0.807SS**  -166.1132.8125.313.10000110.8
149E34.4Very low37.8Very low187 Ų187143 Ų14387%0.87479%0.794SS**  trans-89.4145-167.8-167.3-177.8170.500112.1
150S30.3Very low39Very low114 Ų114140.1 Ų140.180%0.79778%0.784SS**  trans-167156.1166.5-86.20000112
151P38.3Very low40Very low122 Ų122142 Ų14279%0.79277%0.774SS**  trans-86.5156.5-130-823.5000117.7V153P151-V153 PolarHBondContact O-N 2.82Å; P151-V153 VanDerWaalsContact O-N 3.14Å
152L43.3Very low41.7Very low150 Ų150139 Ų13979%0.78576%0.758SS**  trans-71.192.4-176.7-155.8145.2000112.3K154L152-K154 HydrophobicContact CD2-CG 3.66Å
153V39.5Very low43.2Very low121 Ų121143.1 Ų143.173%0.73376%0.756SS**  trans-87.2106.8162.5178.50000108.1P151 R155P151-V153 PolarHBondContact O-N 2.82Å; P151-V153 VanDerWaalsContact O-N 3.14Å; V153-R155 PolarHBondContact O-N 3.03Å
154K43.4Very low45.1Very low185 Ų185144.7 Ų144.780%0.80475%0.746SS**  trans-62.794.6171.6-69-177.4-179.2177.30109.2L152L152-K154 HydrophobicContact CD2-CG 3.66Å
155R41.4Very low47.2Very low214 Ų214140.3 Ų140.381%0.80873%0.725SS**  trans-75.9135.9161.7-70.5179.9179.9173.80.4107.7V153 L157V153-R155 PolarHBondContact O-N 3.03Å; R155-L157 PolarHBondContact O-N 3.16Å
156P46.9Very low49.7Very low109 Ų109141.1 Ų141.171%0.70872%0.718SS**  trans-57.1132.1176.5-18.729.5000109.5L158P156-L158 VanDerWaalsContact C-N 3.27Å; P156-L158 PolarHBondContact O-N 3.4Å
157L52.9Low52.1Low185 Ų185135 Ų13597%0.96970%0.699SS**  trans-64.189.6171.8-69.4173.2000108.4R155R155-L157 PolarHBondContact O-N 3.16Å
158L51Low54.6Low131 Ų131138.7 Ų138.769%0.68670%0.697SS**  trans-84.2116.1168.9-107.2125.2000108.4P156P156-L158 VanDerWaalsContact C-N 3.27Å; P156-L158 PolarHBondContact O-N 3.4Å
159D60.9Low57Low98 Ų98135.9 Ų135.952%0.52468%0.676SS.*  trans-41.4122.6-173.7-146.4-25000113.7W161 N162D159-W161 PolarHBondContact O-N 3.39Å; D159-W161 VanDerWaalsContact O-N 3.11Å; D159-N162 PolarHBondContact O-N 3.05Å; D159-N162 VanDerWaalsContact O-N 3.09Å
160P58.5Low59.3Low102 Ų102132.8 Ų132.866%0.66266%0.662SS**Hα-helixtrans-53-30.7177.5-27.535.2000113.6N162 R163 Q164P160-N162 VanDerWaalsContact C-N 3.34Å; P160-N162 PolarHBondContact O-N 2.03Å; P160-R163 PolarHBondContact O-N 3.31Å; P160-Q164 PolarHBondContact O-N 3.39Å
161W54.8Low61.7Low168 Ų168131 Ų13164%0.63665%0.646SS**Hα-helixtrans-58.5-43.5177.8-171.6-94.3000112.5D159 R163 Q164 E165D159-W161 PolarHBondContact O-N 3.39Å; D159-W161 VanDerWaalsContact O-N 3.11Å; W161-R163 PolarHBondContact O-N 3.29Å; W161-Q164 PolarHBondContact O-N 2.94Å; W161-E165 PolarHBondContact NE1-OE2 2.75Å; W161-E165 WeakPolarHBondContact O-CB 3.46Å; W161-E165 PolarHBondContact O-N 2.89Å
162N67.4Low63.8Low76 Ų76130 Ų13041%0.40663%0.631SS.*Hα-helixtrans-67.7-24.8-178.8-69.6-20.5000112.9D159 P160 K166D159-N162 PolarHBondContact O-N 3.05Å; D159-N162 VanDerWaalsContact O-N 3.09Å; P160-N162 VanDerWaalsContact C-N 3.34Å; P160-N162 PolarHBondContact O-N 2.03Å; N162-K166 WeakPolarHBondContact O-CB 3.31Å; N162-K166 VanDerWaalsContact O-CG 3.27Å; N162-K166 WeakPolarHBondContact O-CG 3.45Å; N162-K166 PolarHBondContact O-N 3.49Å; N162-K166 VanDerWaalsContact O-N 3.13Å
163R66.4Low65.5Low198 Ų198127 Ų12775%0.74762%0.615SS**Hα-helixtrans-77.8-42177.5-158.5-170.4-62.6-143.23.9110.9P160 W161 A167P160-R163 PolarHBondContact O-N 3.31Å; W161-R163 PolarHBondContact O-N 3.29Å; R163-A167 WeakPolarHBondContact O-CB 3.36Å; R163-A167 PolarHBondContact O-N 2.81Å
164Q73.2Confident67.5Low141 Ų141125.7 Ų125.766%0.65960%0.601SS**Hα-helixtrans-68-39.3177-166.6167.8-0.100111.2P160 W161 A167 R168P160-Q164 PolarHBondContact O-N 3.39Å; W161-Q164 PolarHBondContact O-N 2.94Å; Q164-A167 PolarHBondContact O-N 3.29Å; Q164-R168 WeakPolarHBondContact O-CB 3Å; Q164-R168 PolarHBondContact O-N 3.11Å
165E75.4Confident69.2Low91 Ų91121.7 Ų121.743%0.42559%0.588SS.*Hα-helixtrans-67.9-41.2177-166.8148.5-154.400112.2W161 R168 L169W161-E165 PolarHBondContact NE1-OE2 2.75Å; W161-E165 WeakPolarHBondContact O-CB 3.46Å; W161-E165 PolarHBondContact O-N 2.89Å; E165-R168 PolarHBondContact O-N 3.35Å; E165-L169 HydrophobicContact CG-CD1 4.45Å; E165-L169 WeakPolarHBondContact O-CB 3.2Å; E165-L169 WeakPolarHBondContact O-CG 3.18Å; E165-L169 PolarHBondContact O-N 3.43Å
166K79.8Confident70.9Confident145 Ų145119.8 Ų119.863%0.6358%0.581SS**Hα-helixtrans-62.9-43.3171.1-79.7-179.3-179.7-176.70112.5N162 R168 L169 Q170N162-K166 WeakPolarHBondContact O-CB 3.31Å; N162-K166 VanDerWaalsContact O-CG 3.27Å; N162-K166 WeakPolarHBondContact O-CG 3.45Å; N162-K166 PolarHBondContact O-N 3.49Å; N162-K166 VanDerWaalsContact O-N 3.13Å; K166-R168 VanDerWaalsContact C-N 3.32Å; K166-R168 PolarHBondContact O-N 2.74Å; K166-L169 PolarHBondContact O-N 3.07Å; K166-Q170 VanDerWaalsContact O-CB 3.29Å; K166-Q170 WeakPolarHBondContact O-CB 3.02Å; K166-Q170 PolarHBondContact O-N 3.34Å
167A76.6Confident72Confident50 Ų50118.4 Ų118.441%0.41357%0.571SS.*Hα-helixtrans-61.3-41.7176.100000111.4R163 Q164 Q170 T171R163-A167 WeakPolarHBondContact O-CB 3.36Å; R163-A167 PolarHBondContact O-N 2.81Å; Q164-A167 PolarHBondContact O-N 3.29Å; A167-Q170 PolarHBondContact O-N 3.32Å; A167-T171 PolarHBondContact O-N 3.02Å; A167-T171 PolarHBondContact O-OG1 3.31Å
168R80.5Confident73Confident176 Ų176118.1 Ų118.166%0.66456%0.557SS**Hα-helixtrans-65.8-42.2178.5-153-178.889.1104-0112.4Q164 E165 K166 Q170 Q172Q164-R168 WeakPolarHBondContact O-CB 3Å; Q164-R168 PolarHBondContact O-N 3.11Å; E165-R168 PolarHBondContact O-N 3.35Å; K166-R168 VanDerWaalsContact C-N 3.32Å; K166-R168 PolarHBondContact O-N 2.74Å; R168-Q170 VanDerWaalsContact C-N 3.31Å; R168-Q172 WeakPolarHBondContact O-CB 3.33Å; R168-Q172 PolarHBondContact O-N 3.38Å
169L82.2Confident73.6Confident90 Ų90117.9 Ų117.947%0.47155%0.554SS.*Hα-helixtrans-64.1-37.6174.1-76.6164.9000111.6E165 K166 Q172 N173E165-L169 HydrophobicContact CG-CD1 4.45Å; E165-L169 WeakPolarHBondContact O-CB 3.2Å; E165-L169 WeakPolarHBondContact O-CG 3.18Å; E165-L169 PolarHBondContact O-N 3.43Å; K166-L169 PolarHBondContact O-N 3.07Å; L169-Q172 PolarHBondContact O-N 3.35Å; L169-N173 WeakPolarHBondContact O-CB 3.42Å; L169-N173 PolarHBondContact O-N 3.36Å; L169-N173 PolarHBondContact O-ND2 3.3Å
170Q82.2Confident73.6Confident123 Ų123122.6 Ų122.658%0.57556%0.564SS**Hα-helixtrans-67.9-46.4177.9-159.5166.3-1.800111.3K166 A167 R168 Q172 N173 E174K166-Q170 VanDerWaalsContact O-CB 3.29Å; K166-Q170 WeakPolarHBondContact O-CB 3.02Å; K166-Q170 PolarHBondContact O-N 3.34Å; A167-Q170 PolarHBondContact O-N 3.32Å; R168-Q170 VanDerWaalsContact C-N 3.31Å; Q170-Q172 VanDerWaalsContact C-N 3.32Å; Q170-Q172 PolarHBondContact O-N 3.08Å; Q170-N173 PolarHBondContact O-N 2.98Å; Q170-E174 WeakPolarHBondContact O-CG 3.45Å; Q170-E174 PolarHBondContact O-N 2.9Å
171T81.2Confident73.5Confident75 Ų75122.4 Ų122.446%0.4656%0.561SS.*Hα-helixtrans-60.8-39.6172.8-54.40000112A167 E174 L175A167-T171 PolarHBondContact O-N 3.02Å; A167-T171 PolarHBondContact O-OG1 3.31Å; T171-E174 PolarHBondContact O-N 2.95Å; T171-L175 HydrophobicContact CG2-CD1 4.29Å; T171-L175 WeakPolarHBondContact O-CG 3.34Å; T171-L175 PolarHBondContact O-N 3.3Å
172Q81.9Confident73.6Confident102 Ų102118.7 Ų118.748%0.47756%0.561SS.*Hα-helixtrans-66.1-39.7176.3-171.8178.294.200111.9R168 L169 Q170 L175 R176R168-Q172 WeakPolarHBondContact O-CB 3.33Å; R168-Q172 PolarHBondContact O-N 3.38Å; L169-Q172 PolarHBondContact O-N 3.35Å; Q170-Q172 VanDerWaalsContact C-N 3.32Å; Q170-Q172 PolarHBondContact O-N 3.08Å; Q172-L175 PolarHBondContact O-N 2.86Å; Q172-R176 VanDerWaalsContact O-CB 3.3Å; Q172-R176 WeakPolarHBondContact O-CB 3.49Å; Q172-R176 PolarHBondContact O-N 2.84Å
173N80.1Confident73Confident86 Ų86122.2 Ų122.246%0.4658%0.579SS.*Hα-helixtrans-68.4-34.9175.1-73.8-19.6000112.1L169 Q170 R176 T177L169-N173 WeakPolarHBondContact O-CB 3.42Å; L169-N173 PolarHBondContact O-N 3.36Å; L169-N173 PolarHBondContact O-ND2 3.3Å; Q170-N173 PolarHBondContact O-N 2.98Å; N173-R176 PolarHBondContact O-N 2.91Å; N173-T177 WeakPolarHBondContact O-CB 3.2Å; N173-T177 VanDerWaalsContact O-CG2 3.3Å; N173-T177 WeakPolarHBondContact O-CG2 3.32Å; N173-T177 PolarHBondContact O-N 3.48Å; N173-T177 PolarHBondContact O-OG1 3.13Å
174E81.6Confident72.2Confident94 Ų94120.7 Ų120.744%0.43958%0.58SS.*Hα-helixtrans-64.7-44.2172-76.1174.5-173.300111.9Q170 T171 R176 T177 R178Q170-E174 WeakPolarHBondContact O-CG 3.45Å; Q170-E174 PolarHBondContact O-N 2.9Å; T171-E174 PolarHBondContact O-N 2.95Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 2.81Å; E174-T177 VanDerWaalsContact CA-OG1 3.28Å; E174-T177 WeakPolarHBondContact CA-OG1 3.35Å; E174-T177 PolarHBondContact O-N 2.85Å; E174-T177 PolarHBondContact O-OG1 3.41Å; E174-R178 WeakPolarHBondContact O-CB 3.37Å; E174-R178 VanDerWaalsContact O-CG 3.29Å; E174-R178 WeakPolarHBondContact O-CG 3.31Å; E174-R178 PolarHBondContact O-N 3.33Å
175L78.4Confident71Confident101 Ų101120.2 Ų120.253%0.52958%0.582SS.*Hα-helixtrans-63.2-42174.3-71.2166.1000111.3T171 Q172 R178 M179T171-L175 HydrophobicContact CG2-CD1 4.29Å; T171-L175 WeakPolarHBondContact O-CG 3.34Å; T171-L175 PolarHBondContact O-N 3.3Å; Q172-L175 PolarHBondContact O-N 2.86Å; L175-R178 PolarHBondContact O-N 3.12Å; L175-M179 WeakPolarHBondContact O-CG 3.31Å; L175-M179 PolarHBondContact O-N 3.5Å
176R77.1Confident69.8Low174 Ų174124.2 Ų124.266%0.65760%0.601SS**Hα-helixtrans-68.4-36.6178.6-169.5176.7179.8173.70.6112.7Q172 N173 E174 R180Q172-R176 VanDerWaalsContact O-CB 3.3Å; Q172-R176 WeakPolarHBondContact O-CB 3.49Å; Q172-R176 PolarHBondContact O-N 2.84Å; N173-R176 PolarHBondContact O-N 2.91Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 2.81Å; R176-R180 WeakPolarHBondContact O-CB 3.44Å; R176-R180 PolarHBondContact O-N 3.36Å
177T70.2Confident68.3Low81 Ų81128.2 Ų128.250%0.49761%0.612SS.*Hα-helixtrans-71.4-39.7174.845.80000111.4N173 E174 M179 R180 T181N173-T177 WeakPolarHBondContact O-CB 3.2Å; N173-T177 VanDerWaalsContact O-CG2 3.3Å; N173-T177 WeakPolarHBondContact O-CG2 3.32Å; N173-T177 PolarHBondContact O-N 3.48Å; N173-T177 PolarHBondContact O-OG1 3.13Å; E174-T177 VanDerWaalsContact CA-OG1 3.28Å; E174-T177 WeakPolarHBondContact CA-OG1 3.35Å; E174-T177 PolarHBondContact O-N 2.85Å; E174-T177 PolarHBondContact O-OG1 3.41Å; T177-M179 VanDerWaalsContact C-N 3.34Å; T177-M179 PolarHBondContact O-N 3.37Å; T177-R180 CarbonylContact O-C 3.55Å; T177-R180 PolarHBondContact O-N 3.44Å; T177-R180 VanDerWaalsContact O-N 3.09Å; T177-T181 WeakPolarHBondContact O-CG2 3.48Å; T177-T181 PolarHBondContact O-N 3.18Å; T177-T181 PolarHBondContact O-OG1 3.3Å; T177-T181 VanDerWaalsContact O-OG1 3.14Å
178R74.1Confident67.1Low179 Ų179131.3 Ų131.368%0.67563%0.625SS**Hα-helixtrans-61.1-39.6171.7-73.2-179-171.5-160.74.5112.9E174 L175 R180 T181 S182E174-R178 WeakPolarHBondContact O-CB 3.37Å; E174-R178 VanDerWaalsContact O-CG 3.29Å; E174-R178 WeakPolarHBondContact O-CG 3.31Å; E174-R178 PolarHBondContact O-N 3.33Å; L175-R178 PolarHBondContact O-N 3.12Å; R178-R180 VanDerWaalsContact C-N 3.33Å; R178-T181 VanDerWaalsContact CA-OG1 3.3Å; R178-T181 WeakPolarHBondContact CA-OG1 3.15Å; R178-T181 PolarHBondContact O-OG1 3.04Å; R178-S182 PolarHBondContact O-N 3.1Å
179M63.1Low65.8Low126 Ų126131.3 Ų131.362%0.62163%0.633SS**Hα-helixtrans-68-33.6172.9-72.6-169.8-71.100112.2L175 T177 S182 L183L175-M179 WeakPolarHBondContact O-CG 3.31Å; L175-M179 PolarHBondContact O-N 3.5Å; T177-M179 VanDerWaalsContact C-N 3.34Å; T177-M179 PolarHBondContact O-N 3.37Å; M179-S182 WeakPolarHBondContact O-CB 3.31Å; M179-S182 PolarHBondContact O-N 3.27Å; M179-L183 PolarHBondContact O-N 3.05Å
180R60.8Low64.6Low196 Ų196137.8 Ų137.874%0.7465%0.651SS**Hα-helixtrans-75.5-34.5177.2-167.2171.9180171-0.4112.8R176 T177 R178 S182 L183 H184R176-R180 WeakPolarHBondContact O-CB 3.44Å; R176-R180 PolarHBondContact O-N 3.36Å; T177-R180 CarbonylContact O-C 3.55Å; T177-R180 PolarHBondContact O-N 3.44Å; T177-R180 VanDerWaalsContact O-N 3.09Å; R178-R180 VanDerWaalsContact C-N 3.33Å; R180-S182 VanDerWaalsContact C-N 3.26Å; R180-L183 PolarHBondContact O-N 2.87Å; R180-L183 VanDerWaalsContact O-N 3.17Å; R180-H184 PolarHBondContact O-N 2.77Å
181T57.6Low63.6Low98 Ų98138.8 Ų138.860%0.60166%0.66SS**Hα-helixtrans-68.2-27.5169.550.60000111.4T177 R178 L183 H184T177-T181 WeakPolarHBondContact O-CG2 3.48Å; T177-T181 PolarHBondContact O-N 3.18Å; T177-T181 PolarHBondContact O-OG1 3.3Å; T177-T181 VanDerWaalsContact O-OG1 3.14Å; R178-T181 VanDerWaalsContact CA-OG1 3.3Å; R178-T181 WeakPolarHBondContact CA-OG1 3.15Å; R178-T181 PolarHBondContact O-OG1 3.04Å; T181-L183 VanDerWaalsContact C-N 3.27Å; T181-L183 PolarHBondContact O-N 3.03Å; T181-H184 CarbonylContact O-C 3.34Å; T181-H184 PolarHBondContact O-N 2.82Å; T181-H184 VanDerWaalsContact O-O 3.07Å
182S55.6Low63Low91 Ų91140.6 Ų140.664%0.63667%0.673SS**THydrogen-bonded Turntrans-70.4-19.2170.5-171.10000113.9R178 M179 R180R178-S182 PolarHBondContact O-N 3.1Å; M179-S182 WeakPolarHBondContact O-CB 3.31Å; M179-S182 PolarHBondContact O-N 3.27Å; R180-S182 VanDerWaalsContact C-N 3.26Å
183L55.5Low62.4Low149 Ų149139.4 Ų139.478%0.7868%0.675SS**THydrogen-bonded Turntrans-91.3-13.3175.2-69.3173.6000113M179 R180 T181 D185M179-L183 PolarHBondContact O-N 3.05Å; R180-L183 PolarHBondContact O-N 2.87Å; R180-L183 VanDerWaalsContact O-N 3.17Å; T181-L183 VanDerWaalsContact C-N 3.27Å; T181-L183 PolarHBondContact O-N 3.03Å; L183-D185 VanDerWaalsContact C-N 3.32Å
184H48.5Very low62.4Low166 Ų166137.1 Ų137.177%0.76967%0.665SS**SBendtrans-100.667.2159.2-106.639.8000107.4R180 T181 E186R180-H184 PolarHBondContact O-N 2.77Å; T181-H184 CarbonylContact O-C 3.34Å; T181-H184 PolarHBondContact O-N 2.82Å; T181-H184 VanDerWaalsContact O-O 3.07Å; H184-E186 PolarHBondContact O-N 3.07Å
185D48.1Very low62.7Low131 Ų131136.2 Ų136.270%0.70167%0.669SS**  trans-60.287.3157.8-170.228.2000106.6L183 R187L183-D185 VanDerWaalsContact C-N 3.32Å; D185-R187 VanDerWaalsContact C-N 3.32Å; D185-R187 PolarHBondContact O-N 3.29Å
186E50.6Low63.3Low175 Ų175131.4 Ų131.482%0.81864%0.644SS**  trans-58105.9163.8-143.8175.6123.300104.5H184 V188H184-E186 PolarHBondContact O-N 3.07Å; E186-V188 PolarHBondContact O-N 3.26Å
187R48.7Very low63.8Low230 Ų230126.2 Ų126.287%0.86863%0.627SS**  trans-42.686.4-177.4-65.3174.9-175.4174.30.3110.9D185 Q189D185-R187 VanDerWaalsContact C-N 3.32Å; D185-R187 PolarHBondContact O-N 3.29Å; R187-Q189 VanDerWaalsContact C-N 3.26Å; R187-Q189 PolarHBondContact O-N 3.34Å
188V50.8Low64.8Low114 Ų114127.6 Ų127.669%0.69163%0.628SS**  trans-68.2102.5154.9-1800000102E186 R190E186-V188 PolarHBondContact O-N 3.26Å; V188-R190 PolarHBondContact O-N 2.98Å
189Q53.7Low65.5Low177 Ų177122.6 Ų122.683%0.82761%0.612SS**  trans-56.395.4167.3-68.3-170.623.600105.4R187 D191R187-Q189 VanDerWaalsContact C-N 3.26Å; R187-Q189 PolarHBondContact O-N 3.34Å; Q189-D191 PolarHBondContact O-N 3.47Å
190R56.6Low66.8Low226 Ų226118.4 Ų118.485%0.85359%0.592SS**PPolyproline II helixtrans-66.4117.2169.4-73.1-158.3-178173.32.9104.5V188V188-R190 PolarHBondContact O-N 2.98Å
191D61.8Low68.2Low143 Ų143112.6 Ų112.677%0.76558%0.576SS**PPolyproline II helixtrans-46.7143.5168-68.6-53.5000108.7Q189Q189-D191 PolarHBondContact O-N 3.47Å
192P68.9Low69.7Low114 Ų114113.1 Ų113.174%0.7457%0.573SS**PPolyproline II helixtrans-48.8132.8178.6-24.731.8000109.9S194P192-S194 PolarHBondContact O-N 3.01Å
193P68.6Low71.3Confident77 Ų77109.5 Ų109.550%0.555%0.547SS..PPolyproline II helixtrans-55.9130.2-179.422.8-32000109.1Q197P193-Q197 HydrophobicContact CB-CB 4.37Å; P193-Q197 HydrophobicContact CB-CG 4.37Å
194S81Confident72.9Confident37 Ų37106.6 Ų106.626%0.25953%0.532SS..PPolyproline II helixtrans-56.4159.5171.861.40000111.4P192 C196 Q197 Q198 G234P192-S194 PolarHBondContact O-N 3.01Å; S194-C196 VanDerWaalsContact C-N 3.29Å; S194-C196 PolarHBondContact O-N 3.03Å; S194-Q197 PolarHBondContact O-N 3.44Å; S194-Q197 VanDerWaalsContact O-N 3.13Å; S194-Q197 VanDerWaalsContact OG-CB 3.26Å; S194-Q197 WeakPolarHBondContact OG-CB 3.32Å; S194-Q197 PolarHBondContact OG-N 3.05Å; S194-Q198 PolarHBondContact O-N 3.45Å; S194-G234 WeakPolarHBondContact CB-O 3.05Å; S194-G234 VanDerWaalsContact OG-C 3.29Å; S194-G234 WeakPolarHBondContact OG-CA 3.35Å; S194-G234 PolarHBondContact OG-O 3.11Å
195S87.3Confident74.7Confident76 Ų76105.2 Ų105.253%0.53153%0.526SS..Hα-helixtrans-56-40.3-179.8176.20000113.2E199 Y236S195-E199 PolarHBondContact O-N 2.95Å; S195-Y236 PolarHBondContact OG-OH 3.13Å
196C90.1Very high76.5Confident0 Ų0102.9 Ų102.90%051%0.51CS..Hα-helixtrans-66.9-43.8178-168.50000111.3S194 Q198 E199 L200 C230 G234 Y236S194-C196 VanDerWaalsContact C-N 3.29Å; S194-C196 PolarHBondContact O-N 3.03Å; C196-Q198 VanDerWaalsContact C-N 3.33Å; C196-Q198 PolarHBondContact O-N 3.4Å; C196-E199 PolarHBondContact O-N 3.39Å; C196-L200 WeakPolarHBondContact O-CB 3.48Å; C196-L200 PolarHBondContact O-N 2.97Å; C196-C230 HydrophobicContact CB-CB 4Å; C196-C230 WeakPolarHBondContact CB-SG 3.22Å; C196-C230 PolarHBondContact O-SG 3.39Å; C196-C230 VanDerWaalsContact O-SG 3.33Å; C196-C230 WeakPolarHBondContact SG-CA 3.32Å; C196-C230 WeakPolarHBondContact SG-CB 3.39Å; C196-C230 CovalentContact SG-SG 2.03Å; C196-C230 PolarHBondContact SG-SG 3.23Å; C196-G234 WeakPolarHBondContact CB-O 3.47Å; C196-Y236 HydrophobicContact CB-CD1 3.84Å; C196-Y236 HydrophobicContact CB-CD2 3.93Å; C196-Y236 HydrophobicContact CB-CE1 3.69Å; C196-Y236 HydrophobicContact CB-CE2 3.8Å; C196-Y236 HydrophobicContact CB-CG 3.95Å; C196-Y236 WeakPolarHBondContact SG-CD1 3.31Å; C196-Y236 VanDerWaalsContact SG-CE1 3.53Å
197Q89.1Confident78Confident65 Ų6596.1 Ų96.130%0.30448%0.479SS..Hα-helixtrans-64.7-40.2179.4-170.962.742.800111.3P193 S194 L200 D201P193-Q197 HydrophobicContact CB-CB 4.37Å; P193-Q197 HydrophobicContact CB-CG 4.37Å; S194-Q197 PolarHBondContact O-N 3.44Å; S194-Q197 VanDerWaalsContact O-N 3.13Å; S194-Q197 VanDerWaalsContact OG-CB 3.26Å; S194-Q197 WeakPolarHBondContact OG-CB 3.32Å; S194-Q197 PolarHBondContact OG-N 3.05Å; Q197-L200 WeakPolarHBondContact O-CB 3.22Å; Q197-L200 PolarHBondContact O-N 3.39Å; Q197-D201 PolarHBondContact NE2-OD1 3.14Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.15Å; Q197-D201 WeakPolarHBondContact O-CB 3.45Å; Q197-D201 PolarHBondContact O-N 3.35Å
198Q90.1Very high79.6Confident110 Ų11088.2 Ų88.251%0.51446%0.459SS..Hα-helixtrans-64.4-41.4176.4-170.1175.41000111.7S194 C196 D201 M202S194-Q198 PolarHBondContact O-N 3.45Å; C196-Q198 VanDerWaalsContact C-N 3.33Å; C196-Q198 PolarHBondContact O-N 3.4Å; Q198-D201 PolarHBondContact O-N 2.88Å; Q198-M202 WeakPolarHBondContact O-CG 3.38Å; Q198-M202 PolarHBondContact O-N 2.95Å
199E90.2Very high80.9Confident74 Ų7489.2 Ų89.235%0.34645%0.451SS..Hα-helixtrans-63.2-42174-169.5-177.8-158.500112S195 C196 D201 M202 V203 P228 Y236S195-E199 PolarHBondContact O-N 2.95Å; C196-E199 PolarHBondContact O-N 3.39Å; E199-D201 PolarHBondContact O-N 3.15Å; E199-M202 HydrophobicContact CB-CE 4.28Å; E199-M202 HydrophobicContact CG-CE 4.36Å; E199-M202 PolarHBondContact O-N 2.82Å; E199-V203 WeakPolarHBondContact O-CG2 3.31Å; E199-V203 PolarHBondContact O-N 3.28Å; E199-V203 VanDerWaalsContact O-N 3.17Å; E199-P228 HydrophobicContact CB-CG 4.01Å; E199-P228 HydrophobicContact CG-CG 3.94Å; E199-Y236 WeakPolarHBondContact OE2-CE1 3.49Å; E199-Y236 PolarHBondContact OE2-OH 3.26Å
200L90.3Very high81.5Confident38 Ų3883.2 Ų83.220%0.19942%0.424CS..Hα-helixtrans-60.7-45.7175.2-177.459.6000111.8C196 Q197 M202 V203 L204 F227 P228C196-L200 WeakPolarHBondContact O-CB 3.48Å; C196-L200 PolarHBondContact O-N 2.97Å; Q197-L200 WeakPolarHBondContact O-CB 3.22Å; Q197-L200 PolarHBondContact O-N 3.39Å; L200-M202 VanDerWaalsContact C-N 3.32Å; L200-M202 PolarHBondContact O-N 3.17Å; L200-V203 PolarHBondContact O-N 3.5Å; L200-L204 HydrophobicContact CG-CD1 4.21Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 3.46Å; L200-F227 HydrophobicContact CD1-CD1 4.41Å; L200-P228 HydrophobicContact CB-CG 3.99Å; L200-P228 HydrophobicContact CD1-CG 4.48Å
201D89.4Confident81.9Confident73 Ų7377.2 Ų77.239%0.3941%0.412SS..Hα-helixtrans-64.1-37.4-179.3-68.2-18.9000111.4Q197 Q198 E199 L204 E205Q197-D201 PolarHBondContact NE2-OD1 3.14Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.15Å; Q197-D201 WeakPolarHBondContact O-CB 3.45Å; Q197-D201 PolarHBondContact O-N 3.35Å; Q198-D201 PolarHBondContact O-N 2.88Å; E199-D201 PolarHBondContact O-N 3.15Å; D201-L204 PolarHBondContact O-N 2.85Å; D201-E205 PolarHBondContact O-N 3.41Å
202M88.9Confident81.7Confident110 Ų11074.8 Ų74.854%0.54241%0.406SS..Hα-helixtrans-61.9-43.1173.5-72.2-171.8-63.800112.4Q198 E199 L200 L204 E205 E206Q198-M202 WeakPolarHBondContact O-CG 3.38Å; Q198-M202 PolarHBondContact O-N 2.95Å; E199-M202 HydrophobicContact CB-CE 4.28Å; E199-M202 HydrophobicContact CG-CE 4.36Å; E199-M202 PolarHBondContact O-N 2.82Å; L200-M202 VanDerWaalsContact C-N 3.32Å; L200-M202 PolarHBondContact O-N 3.17Å; M202-L204 VanDerWaalsContact C-N 3.33Å; M202-E205 PolarHBondContact O-N 2.94Å; M202-E206 PolarHBondContact O-N 3.43Å
203V89.2Confident81.2Confident15 Ų1573.9 Ų73.99%0.09139%0.392CS..Hα-helixtrans-66.2-38.7178176.10000110.7E199 L200 E206 I207 L225 K226 F227E199-V203 WeakPolarHBondContact O-CG2 3.31Å; E199-V203 PolarHBondContact O-N 3.28Å; E199-V203 VanDerWaalsContact O-N 3.17Å; L200-V203 PolarHBondContact O-N 3.5Å; V203-E206 PolarHBondContact O-N 3.35Å; V203-I207 HydrophobicContact CG1-CD1 4.4Å; V203-I207 WeakPolarHBondContact O-CD1 3.39Å; V203-I207 VanDerWaalsContact O-CG1 3.32Å; V203-I207 WeakPolarHBondContact O-CG1 3.32Å; V203-I207 PolarHBondContact O-N 2.8Å; V203-I207 VanDerWaalsContact O-N 3.12Å; V203-L225 HydrophobicContact CG1-CB 4.37Å; V203-K226 VanDerWaalsContact CG2-O 3.31Å; V203-K226 WeakPolarHBondContact CG2-O 3.47Å; V203-F227 HydrophobicContact CG1-CD1 3.74Å; V203-F227 HydrophobicContact CG1-CD2 4.41Å; V203-F227 HydrophobicContact CG1-CE1 3.64Å; V203-F227 HydrophobicContact CG1-CE2 4.29Å; V203-F227 HydrophobicContact CG1-CG 4.15Å; V203-F227 HydrophobicContact CG1-CZ 3.94Å
204L88.7Confident80.4Confident87 Ų8776 Ų7646%0.45540%0.4SS..Hα-helixtrans-65.5-39175.9-69174.2000112.1L200 D201 M202 I207 S208L200-L204 HydrophobicContact CG-CD1 4.21Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 3.46Å; D201-L204 PolarHBondContact O-N 2.85Å; M202-L204 VanDerWaalsContact C-N 3.33Å; L204-I207 HydrophobicContact CD2-CD1 4.29Å; L204-I207 PolarHBondContact O-N 3.43Å; L204-S208 PolarHBondContact O-N 3.21Å
205E87.2Confident78.8Confident138 Ų13880.1 Ų80.165%0.64542%0.418SS*.Hα-helixtrans-63.3-42.8173.9-172.4172.3-171.700111.3D201 M202 I207 S208 R209D201-E205 PolarHBondContact O-N 3.41Å; M202-E205 PolarHBondContact O-N 2.94Å; E205-I207 VanDerWaalsContact C-N 3.32Å; E205-I207 PolarHBondContact O-N 3.2Å; E205-S208 WeakPolarHBondContact O-CB 3.32Å; E205-S208 PolarHBondContact O-N 3.23Å; E205-S208 VanDerWaalsContact O-N 3.1Å; E205-S208 PolarHBondContact O-OG 2.03Å; E205-R209 PolarHBondContact O-N 3.3Å
206E84.7Confident77.2Confident81 Ų8186.6 Ų86.638%0.37943%0.431SS..Hα-helixtrans-57.7-43.1175.6-179170.2-166.400112.2M202 V203 S208 R209 M210 L225M202-E206 PolarHBondContact O-N 3.43Å; V203-E206 PolarHBondContact O-N 3.35Å; E206-S208 PolarHBondContact O-N 3.24Å; E206-R209 WeakPolarHBondContact O-CB 3.4Å; E206-R209 PolarHBondContact O-N 3.47Å; E206-M210 HydrophobicContact CG-CE 3.57Å; E206-M210 HydrophobicContact CG-SD 4.39Å; E206-M210 WeakPolarHBondContact O-CG 3.5Å; E206-M210 PolarHBondContact O-N 3.33Å; E206-M210 WeakPolarHBondContact OE1-CE 3.46Å; E206-L225 HydrophobicContact CG-CD2 4.12Å; E206-L225 WeakPolarHBondContact OE2-CD2 3.5Å
207I83.4Confident75.6Confident33 Ų3388.6 Ų88.617%0.16945%0.452CS..Hα-helixtrans-63.7-42.3175.4-62.8159.7000111.1V203 L204 E205 R209 M210 T211 L222 L225 F227V203-I207 HydrophobicContact CG1-CD1 4.4Å; V203-I207 WeakPolarHBondContact O-CD1 3.39Å; V203-I207 VanDerWaalsContact O-CG1 3.32Å; V203-I207 WeakPolarHBondContact O-CG1 3.32Å; V203-I207 PolarHBondContact O-N 2.8Å; V203-I207 VanDerWaalsContact O-N 3.12Å; L204-I207 HydrophobicContact CD2-CD1 4.29Å; L204-I207 PolarHBondContact O-N 3.43Å; E205-I207 VanDerWaalsContact C-N 3.32Å; E205-I207 PolarHBondContact O-N 3.2Å; I207-R209 PolarHBondContact O-N 2.91Å; I207-M210 PolarHBondContact O-N 3.44Å; I207-T211 HydrophobicContact CG2-CG2 3.97Å; I207-T211 WeakPolarHBondContact O-CB 3.36Å; I207-T211 WeakPolarHBondContact O-CG2 3.42Å; I207-T211 PolarHBondContact O-N 3.36Å; I207-T211 PolarHBondContact O-OG1 3.28Å; I207-L222 HydrophobicContact CG2-CD2 4.34Å; I207-L225 HydrophobicContact CD1-CD1 4.34Å; I207-L225 HydrophobicContact CG1-CD1 3.56Å; I207-F227 HydrophobicContact CD1-CE1 3.36Å; I207-F227 HydrophobicContact CD1-CZ 3.28Å; I207-F227 HydrophobicContact CG1-CZ 4.27Å
208S82.1Confident74Confident64 Ų6489 Ų8945%0.44846%0.46SS..Hα-helixtrans-61-34.1179.280.80000111.8L204 E205 E206 T211 S212L204-S208 PolarHBondContact O-N 3.21Å; E205-S208 WeakPolarHBondContact O-CB 3.32Å; E205-S208 PolarHBondContact O-N 3.23Å; E205-S208 VanDerWaalsContact O-N 3.1Å; E205-S208 PolarHBondContact O-OG 2.03Å; E206-S208 PolarHBondContact O-N 3.24Å; S208-T211 WeakPolarHBondContact CA-OG1 3.49Å; S208-T211 PolarHBondContact O-OG1 3.07Å; S208-S212 WeakPolarHBondContact O-CB 3.4Å; S208-S212 PolarHBondContact O-N 3.49Å; S208-S212 PolarHBondContact O-OG 3.4Å
209R78.6Confident72.5Confident135 Ų13587.2 Ų87.251%0.50945%0.454SS..Hα-helixtrans-71.8-42.3174.9-163.6-171.870.479.9-0.1111.9E205 E206 I207 S212 E213E205-R209 PolarHBondContact O-N 3.3Å; E206-R209 WeakPolarHBondContact O-CB 3.4Å; E206-R209 PolarHBondContact O-N 3.47Å; I207-R209 PolarHBondContact O-N 2.91Å; R209-S212 PolarHBondContact O-OG 2.9Å; R209-S212 VanDerWaalsContact O-OG 3.07Å; R209-E213 IonicContact NH1-OE1 3.64Å
210M66.3Low71.2Confident52 Ų5289.5 Ų89.526%0.25646%0.464SS..Hα-helixtrans-69.8-30.4178.4-68.4179.5-176.300113.6E206 I207 L225E206-M210 HydrophobicContact CG-CE 3.57Å; E206-M210 HydrophobicContact CG-SD 4.39Å; E206-M210 WeakPolarHBondContact O-CG 3.5Å; E206-M210 PolarHBondContact O-N 3.33Å; E206-M210 WeakPolarHBondContact OE1-CE 3.46Å; I207-M210 PolarHBondContact O-N 3.44Å; M210-L225 HydrophobicContact CE-CD2 4.3Å; M210-L225 HydrophobicContact SD-CD1 4.37Å
211T63.9Low70Confident100 Ų10092.4 Ų92.461%0.61348%0.48SS*.Hα-helixtrans-84.7-20.5-178.449.80000113.7I207 S208I207-T211 HydrophobicContact CG2-CG2 3.97Å; I207-T211 WeakPolarHBondContact O-CB 3.36Å; I207-T211 WeakPolarHBondContact O-CG2 3.42Å; I207-T211 PolarHBondContact O-N 3.36Å; I207-T211 PolarHBondContact O-OG1 3.28Å; S208-T211 WeakPolarHBondContact CA-OG1 3.49Å; S208-T211 PolarHBondContact O-OG1 3.07Å
212S58.1Low69.1Low92 Ų9291.7 Ų91.764%0.64348%0.476SS*.Hα-helixtrans-85.7-29.8178.650.40000113.1S208 R209 D214S208-S212 WeakPolarHBondContact O-CB 3.4Å; S208-S212 PolarHBondContact O-N 3.49Å; S208-S212 PolarHBondContact O-OG 3.4Å; R209-S212 PolarHBondContact O-OG 2.9Å; R209-S212 VanDerWaalsContact O-OG 3.07Å; S212-D214 PolarHBondContact O-N 3.22Å
213E57.8Low68.3Low94 Ų9490.3 Ų90.344%0.43947%0.465SS..SBendtrans-81.4110.7168.6-65.9-176.5-167.900108.8R209 N215R209-E213 IonicContact NH1-OE1 3.64Å; E213-N215 HydrophobicContact CB-CB 4.41Å; E213-N215 PolarHBondContact O-N 3.3Å; E213-N215 PolarHBondContact OE2-ND2 2.99Å
214D52.1Low67.6Low123 Ų12391.9 Ų91.966%0.65849%0.485SS*.  trans-65.322.6172.2-155.815.5000112.7S212 R216S212-D214 PolarHBondContact O-N 3.22Å; D214-R216 PolarHBondContact O-N 3.17Å; D214-R216 IonicContact OD1-CZ 2.97Å; D214-R216 IonicContact OD1-NH1 2.83Å; D214-R216 PolarHBondContact OD1-NH1 3Å; D214-R216 IonicContact OD1-NH2 3.91Å; D214-R216 IonicContact OD2-NH1 3.48Å
215N48.6Very low67.3Low122 Ų12288.5 Ų88.565%0.65247%0.467SS*.  trans-70.784.6155.9-69.8-46.5000106.8E213 G217E213-N215 HydrophobicContact CB-CB 4.41Å; E213-N215 PolarHBondContact O-N 3.3Å; E213-N215 PolarHBondContact OE2-ND2 2.99Å; N215-G217 PolarHBondContact O-N 3.33Å
216R52.5Low67.1Low212 Ų21287.2 Ų87.280%0.846%0.459SS*.  trans-59.962.5161.1-66.7-178.7174.5785.4109.9D214D214-R216 PolarHBondContact O-N 3.17Å; D214-R216 IonicContact OD1-CZ 2.97Å; D214-R216 IonicContact OD1-NH1 2.83Å; D214-R216 PolarHBondContact OD1-NH1 3Å; D214-R216 IonicContact OD1-NH2 3.91Å; D214-R216 IonicContact OD2-NH1 3.48Å
217G56.3Low67.4Low42 Ų4286.8 Ų86.843%0.43346%0.456SS..  trans-58.5160.816300000108.7N215 L219N215-G217 PolarHBondContact O-N 3.33Å; G217-L219 PolarHBondContact O-N 3.33Å; G217-L219 VanDerWaalsContact O-N 3.15Å
218P56Low67.8Low73 Ų7385.8 Ų85.847%0.47445%0.452SS..  trans-55.3128.2-176.620.8-29.8000109.7E220 N221P218-E220 HydrophobicContact CB-CB 4.18Å; P218-E220 HydrophobicContact CB-CG 4.42Å; P218-E220 VanDerWaalsContact CB-OE2 3.28Å; P218-E220 WeakPolarHBondContact CB-OE2 3.46Å; P218-E220 PolarHBondContact O-N 2.66Å; P218-N221 PolarHBondContact O-N 3.42Å
219L58.8Low68.3Low74 Ų7486.5 Ų86.539%0.38745%0.451SS..THydrogen-bonded Turntrans-49.1-19177.7-171.669.8000112.5P34 G217 N221 L222 Y223P34-L219 HydrophobicContact CB-CD2 4.38Å; P34-L219 HydrophobicContact CG-CD2 4.13Å; G217-L219 PolarHBondContact O-N 3.33Å; G217-L219 VanDerWaalsContact O-N 3.15Å; L219-N221 PolarHBondContact O-N 2.94Å; L219-L222 HydrophobicContact CD1-CD1 3.91Å; L219-L222 PolarHBondContact O-N 3.12Å; L219-Y223 HydrophobicContact CB-CE2 4.43Å; L219-Y223 HydrophobicContact CD2-CE2 3.88Å; L219-Y223 HydrophobicContact CG-CE2 3.69Å; L219-Y223 WeakPolarHBondContact O-CD2 3.5Å
220E62.6Low68.9Low121 Ų12181.3 Ų81.357%0.56544%0.435SS*.Hα-helixtrans-48-37.1169.4-70.8148.4-164.200114.2P218 L222 Y223 G224P218-E220 HydrophobicContact CB-CB 4.18Å; P218-E220 HydrophobicContact CB-CG 4.42Å; P218-E220 VanDerWaalsContact CB-OE2 3.28Å; P218-E220 WeakPolarHBondContact CB-OE2 3.46Å; P218-E220 PolarHBondContact O-N 2.66Å; E220-L222 VanDerWaalsContact C-N 3.31Å; E220-L222 PolarHBondContact O-N 3.36Å; E220-Y223 PolarHBondContact O-N 3.44Å; E220-G224 PolarHBondContact O-N 3.49Å
221N64.7Low70Confident99 Ų9981.8 Ų81.853%0.52944%0.438SS..Hα-helixtrans-65.3-33.7-178.5-70.6-19.9000112.6P218 L219 G224P218-N221 PolarHBondContact O-N 3.42Å; L219-N221 PolarHBondContact O-N 2.94Å; N221-G224 PolarHBondContact O-N 2.91Å
222L71Confident71.1Confident59 Ų5988.3 Ų88.331%0.30945%0.452SS..Hα-helixtrans-69.3-33.8176.2-77.6132000112.3I207 L219 E220 G224 L225I207-L222 HydrophobicContact CG2-CD2 4.34Å; L219-L222 HydrophobicContact CD1-CD1 3.91Å; L219-L222 PolarHBondContact O-N 3.12Å; E220-L222 VanDerWaalsContact C-N 3.31Å; E220-L222 PolarHBondContact O-N 3.36Å; L222-G224 PolarHBondContact O-N 3.17Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 2.68Å
223Y71.9Confident72.3Confident81 Ų8191.1 Ų91.132%0.31845%0.454SS..Hα-helixtrans-73.2-16.9177.7-64-66.4000113L219 E220 M243L219-Y223 HydrophobicContact CB-CE2 4.43Å; L219-Y223 HydrophobicContact CD2-CE2 3.88Å; L219-Y223 HydrophobicContact CG-CE2 3.69Å; L219-Y223 WeakPolarHBondContact O-CD2 3.5Å; E220-Y223 PolarHBondContact O-N 3.44Å; Y223-M243 HydrophobicContact CD1-CG 4.42Å; Y223-M243 HydrophobicContact CD1-SD 3.84Å; Y223-M243 HydrophobicContact CE1-SD 4.15Å
224G73.3Confident73.6Confident48 Ų4887 Ų8750%0.49544%0.437SS..Hα-helixtrans-77.3-23173.200000114E220 N221 L222 K226E220-G224 PolarHBondContact O-N 3.49Å; N221-G224 PolarHBondContact O-N 2.91Å; L222-G224 PolarHBondContact O-N 3.17Å; G224-K226 PolarHBondContact O-N 2.88Å
225L82.9Confident75.3Confident16 Ų1684.8 Ų84.88%0.08443%0.425CS..  trans-64.4132.7-177.7-61.9178000111.2V203 E206 I207 M210 L222 F227V203-L225 HydrophobicContact CG1-CB 4.37Å; E206-L225 HydrophobicContact CG-CD2 4.12Å; E206-L225 WeakPolarHBondContact OE2-CD2 3.5Å; I207-L225 HydrophobicContact CD1-CD1 4.34Å; I207-L225 HydrophobicContact CG1-CD1 3.56Å; M210-L225 HydrophobicContact CE-CD2 4.3Å; M210-L225 HydrophobicContact SD-CD1 4.37Å; L222-L225 WeakPolarHBondContact O-CB 3.3Å; L222-L225 PolarHBondContact O-N 2.68Å; L225-F227 HydrophobicContact CB-CD2 4.38Å; L225-F227 HydrophobicContact CB-CE2 3.74Å; L225-F227 HydrophobicContact CB-CZ 4.33Å
226K84.4Confident77.3Confident111 Ų11179.9 Ų79.948%0.48340%0.397SS..  trans-96.5109.6179.3-59.6-56.9-177.3-164.30109V203 G224 P228 N242V203-K226 VanDerWaalsContact CG2-O 3.31Å; V203-K226 WeakPolarHBondContact CG2-O 3.47Å; G224-K226 PolarHBondContact O-N 2.88Å; K226-P228 WeakPolarHBondContact O-CD 3.33Å; K226-N242 VanDerWaalsContact CD-OD1 3.31Å; K226-N242 WeakPolarHBondContact CD-OD1 3.33Å; K226-N242 WeakPolarHBondContact CE-OD1 3.46Å; K226-N242 VanDerWaalsContact NZ-CG 3.25Å; K226-N242 PolarHBondContact NZ-ND2 3.4Å; K226-N242 PolarHBondContact NZ-OD1 3.42Å
227F90.4Very high79.2Confident71 Ų7172.2 Ų72.231%0.31137%0.372SS..  trans-92.8112.9176.2-67-98.2000109.3L200 V203 I207 L225 N229 M243L200-F227 HydrophobicContact CD1-CD1 4.41Å; V203-F227 HydrophobicContact CG1-CD1 3.74Å; V203-F227 HydrophobicContact CG1-CD2 4.41Å; V203-F227 HydrophobicContact CG1-CE1 3.64Å; V203-F227 HydrophobicContact CG1-CE2 4.29Å; V203-F227 HydrophobicContact CG1-CG 4.15Å; V203-F227 HydrophobicContact CG1-CZ 3.94Å; I207-F227 HydrophobicContact CD1-CE1 3.36Å; I207-F227 HydrophobicContact CD1-CZ 3.28Å; I207-F227 HydrophobicContact CG1-CZ 4.27Å; L225-F227 HydrophobicContact CB-CD2 4.38Å; L225-F227 HydrophobicContact CB-CE2 3.74Å; L225-F227 HydrophobicContact CB-CZ 4.33Å; F227-N229 PolarHBondContact O-N 3.08Å; F227-M243 HydrophobicContact CD2-CE 3.78Å; F227-M243 HydrophobicContact CE2-CE 3.37Å; F227-M243 HydrophobicContact CZ-CE 4.23Å
228P92.2Very high80.8Confident12 Ų1271.3 Ų71.38%0.07836%0.357CS..  trans-69.2128.7174.129.8-34.5000109.3E199 L200 K226 C230 Y236E199-P228 HydrophobicContact CB-CG 4.01Å; E199-P228 HydrophobicContact CG-CG 3.94Å; L200-P228 HydrophobicContact CB-CG 3.99Å; L200-P228 HydrophobicContact CD1-CG 4.48Å; K226-P228 WeakPolarHBondContact O-CD 3.33Å; P228-C230 PolarHBondContact O-N 2.79Å; P228-Y236 HydrophobicContact CB-CD1 4.33Å; P228-Y236 HydrophobicContact CB-CE1 4.01Å
229N91.8Very high82.4Confident80 Ų8070.8 Ų70.843%0.42835%0.347SS..  trans-83.3108.8174.1-1765.7000108.8F227 N237 Q240F227-N229 PolarHBondContact O-N 3.08Å; N229-N237 HydrophobicContact CB-CB 4.17Å; N229-N237 VanDerWaalsContact CG-ND2 3.35Å; N229-N237 WeakPolarHBondContact O-CB 3.12Å; N229-N237 PolarHBondContact O-N 2.83Å; N229-N237 PolarHBondContact O-ND2 3.32Å; N229-N237 PolarHBondContact OD1-ND2 2.9Å; N229-Q240 PolarHBondContact O-NE2 2.95Å
230C91.4Very high84Confident25 Ų2567.8 Ų67.817%0.16933%0.331CS..BIsolated β-bridgetrans-104.1147.9-178.2-49.50000112C196 P228 L235 N237C196-C230 HydrophobicContact CB-CB 4Å; C196-C230 WeakPolarHBondContact CB-SG 3.22Å; C196-C230 PolarHBondContact O-SG 3.39Å; C196-C230 VanDerWaalsContact O-SG 3.33Å; C196-C230 WeakPolarHBondContact SG-CA 3.32Å; C196-C230 WeakPolarHBondContact SG-CB 3.39Å; C196-C230 CovalentContact SG-SG 2.03Å; C196-C230 PolarHBondContact SG-SG 3.23Å; P228-C230 PolarHBondContact O-N 2.79Å; C230-L235 CarbonylContact C-O 3.48Å; C230-L235 WeakPolarHBondContact CA-O 3.37Å; C230-N237 PolarHBondContact O-ND2 3.15Å; C230-N237 VanDerWaalsContact O-ND2 3.13Å
231D88.9Confident85.4Confident62 Ų6264.4 Ų64.433%0.33232%0.321SS..  trans-80.3169.3168-174.730.8000110.9H233 G234 L235 N237D231-H233 PolarHBondContact O-N 3.09Å; D231-H233 VanDerWaalsContact O-N 3.08Å; D231-H233 IonicContact OD2-CE1 3.36Å; D231-H233 IonicContact OD2-CG 3.75Å; D231-H233 IonicContact OD2-ND1 3.93Å; D231-H233 PolarHBondContact OD2-ND1 3.25Å; D231-G234 PolarHBondContact O-N 2.93Å; D231-L235 PolarHBondContact N-O 3.36Å; D231-N237 PolarHBondContact N-ND2 2.94Å
232R86.4Confident86.5Confident238 Ų23861.3 Ų61.390%0.89830%0.304SS*.THydrogen-bonded Turntrans-54.9-27.9178.5-54.7174.7-169.8-96.9-0.6113.4G234R232-G234 VanDerWaalsContact C-N 3.32Å
233H84.2Confident87.1Confident150 Ų15062.1 Ų62.169%0.69431%0.307SS*.THydrogen-bonded Turntrans-86.9-1.6178.3-51.596.9000113.2D231 L235D231-H233 PolarHBondContact O-N 3.09Å; D231-H233 VanDerWaalsContact O-N 3.08Å; D231-H233 IonicContact OD2-CE1 3.36Å; D231-H233 IonicContact OD2-CG 3.75Å; D231-H233 IonicContact OD2-ND1 3.93Å; D231-H233 PolarHBondContact OD2-ND1 3.25Å; H233-L235 VanDerWaalsContact C-N 3.34Å
234G84.9Confident87.6Confident7 Ų760.1 Ų60.17%0.07231%0.305CS..SBendtrans80.211.6-177.800000115S194 C196 D231 R232S194-G234 WeakPolarHBondContact CB-O 3.05Å; S194-G234 VanDerWaalsContact OG-C 3.29Å; S194-G234 WeakPolarHBondContact OG-CA 3.35Å; S194-G234 PolarHBondContact OG-O 3.11Å; C196-G234 WeakPolarHBondContact CB-O 3.47Å; D231-G234 PolarHBondContact O-N 2.93Å; R232-G234 VanDerWaalsContact C-N 3.32Å
235L89Confident87.9Confident77 Ų7760.6 Ų60.640%0.40330%0.298SS..PPolyproline II helixtrans-83155.6170.4-65.5171.2000110.2C230 D231 H233C230-L235 CarbonylContact C-O 3.48Å; C230-L235 WeakPolarHBondContact CA-O 3.37Å; D231-L235 PolarHBondContact N-O 3.36Å; H233-L235 VanDerWaalsContact C-N 3.34Å
236Y89.7Confident87.3Confident19 Ų1965.8 Ų65.88%0.07532%0.322CS..BIsolated β-bridgetrans-68.6135.8174.6-65.7-90.2000110S195 C196 E199 P228 P257 G260S195-Y236 PolarHBondContact OG-OH 3.13Å; C196-Y236 HydrophobicContact CB-CD1 3.84Å; C196-Y236 HydrophobicContact CB-CD2 3.93Å; C196-Y236 HydrophobicContact CB-CE1 3.69Å; C196-Y236 HydrophobicContact CB-CE2 3.8Å; C196-Y236 HydrophobicContact CB-CG 3.95Å; C196-Y236 WeakPolarHBondContact SG-CD1 3.31Å; C196-Y236 VanDerWaalsContact SG-CE1 3.53Å; E199-Y236 WeakPolarHBondContact OE2-CE1 3.49Å; E199-Y236 PolarHBondContact OE2-OH 3.26Å; P228-Y236 HydrophobicContact CB-CD1 4.33Å; P228-Y236 HydrophobicContact CB-CE1 4.01Å; Y236-P257 PolarHBondContact N-O 3.49Å; Y236-P257 WeakPolarHBondContact O-CA 3.29Å; Y236-P257 WeakPolarHBondContact O-CB 3.42Å; Y236-G260 VanDerWaalsContact CD2-CA 3.49Å; Y236-G260 VanDerWaalsContact CD2-N 3.34Å; Y236-G260 VanDerWaalsContact CG-CA 3.5Å
237N91.4Very high86.7Confident52 Ų5260.9 Ų60.928%0.27830%0.303SS..PPolyproline II helixtrans-64.9139.8166.2-86.9-69000109.6N229 C230 D231 K239 Q240 V255N229-N237 HydrophobicContact CB-CB 4.17Å; N229-N237 VanDerWaalsContact CG-ND2 3.35Å; N229-N237 WeakPolarHBondContact O-CB 3.12Å; N229-N237 PolarHBondContact O-N 2.83Å; N229-N237 PolarHBondContact O-ND2 3.32Å; N229-N237 PolarHBondContact OD1-ND2 2.9Å; C230-N237 PolarHBondContact O-ND2 3.15Å; C230-N237 VanDerWaalsContact O-ND2 3.13Å; D231-N237 PolarHBondContact N-ND2 2.94Å; N237-K239 PolarHBondContact O-N 3.35Å; N237-K239 VanDerWaalsContact O-N 3.08Å; N237-Q240 PolarHBondContact O-NE2 3.06Å; N237-V255 WeakPolarHBondContact O-CG2 3.33Å
238L90Very high86.1Confident23 Ų2361.4 Ų61.412%0.1231%0.306CS..SBendtrans-56.2-31.5-178-167.576.1000112.3C254 V255 P257 I263 C275 Q279L238-C254 CarbonylContact O-C 3.54Å; L238-C254 WeakPolarHBondContact O-CA 3.38Å; L238-V255 VanDerWaalsContact CD1-O 3.32Å; L238-V255 WeakPolarHBondContact CD1-O 3.5Å; L238-V255 PolarHBondContact O-N 2.94Å; L238-P257 HydrophobicContact CD1-CG 3.9Å; L238-I263 HydrophobicContact CD1-CD1 4.25Å; L238-C275 HydrophobicContact CB-CB 4.49Å; L238-C275 HydrophobicContact CD2-CB 3.5Å; L238-C275 VanDerWaalsContact CD2-CB 3.5Å; L238-C275 WeakPolarHBondContact CD2-O 3.37Å; L238-C275 HydrophobicContact CG-CB 3.74Å; L238-Q279 HydrophobicContact CD2-CB 4.23Å
239K91.2Very high85.7Confident61 Ų6163.8 Ų63.827%0.26531%0.314SS..EExtended strand (participates in β ladder)trans-104.2121.7174.8178.3173.362.7-172.50110.6N237 C252 D272 P273N237-K239 PolarHBondContact O-N 3.35Å; N237-K239 VanDerWaalsContact O-N 3.08Å; K239-C252 HydrophobicContact CD-CB 4.48Å; K239-C252 HydrophobicContact CG-CB 4.36Å; K239-D272 IonicContact NZ-OD1 2.82Å; K239-D272 PolarHBondContact NZ-OD1 3.2Å; K239-D272 IonicContact NZ-OD2 3.73Å; K239-D272 PolarHBondContact NZ-OD2 2.9Å; K239-P273 HydrophobicContact CD-CG 4.17Å; K239-P273 HydrophobicContact CG-CG 4.19Å
240Q91.6Very high85.4Confident11 Ų1160.3 Ų60.35%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-109.7144.6171.1-62.1-61.5-33.600109.6N229 N237 C252 W253 V255N229-Q240 PolarHBondContact O-NE2 2.95Å; N237-Q240 PolarHBondContact O-NE2 3.06Å; Q240-C252 CarbonylContact O-C 3.51Å; Q240-C252 WeakPolarHBondContact O-CA 3.36Å; Q240-C252 WeakPolarHBondContact O-CB 3.26Å; Q240-W253 HydrophobicContact CB-CD2 4.32Å; Q240-W253 HydrophobicContact CB-CZ2 3.85Å; Q240-W253 PolarHBondContact N-O 2.92Å; Q240-W253 PolarHBondContact O-N 3.37Å; Q240-V255 HydrophobicContact CB-CG1 4.14Å; Q240-V255 HydrophobicContact CG-CB 4.18Å; Q240-V255 HydrophobicContact CG-CG1 3.58Å; Q240-V255 HydrophobicContact CG-CG2 3.47Å; Q240-V255 VanDerWaalsContact CG-CG2 3.47Å
241C91.3Very high85.4Confident51 Ų5162.6 Ų62.635%0.34531%0.305SS..EExtended strand (participates in β ladder)trans-139.9139.9-175.5-67.80000111.1E251 C252C241-E251 WeakPolarHBondContact CA-O 3.21Å; C241-C252 HydrophobicContact CB-CB 4.1Å; C241-C252 WeakPolarHBondContact CB-SG 3.38Å; C241-C252 WeakPolarHBondContact SG-CB 3.33Å; C241-C252 CovalentContact SG-SG 2.04Å; C241-C252 PolarHBondContact SG-SG 3.25Å
242N88.9Confident85.5Confident33 Ų3359.7 Ų59.718%0.17629%0.289CS..PPolyproline II helixtrans-70.7157.8165.2-71.7-29.4000111K226 G250 E251 W253K226-N242 VanDerWaalsContact CD-OD1 3.31Å; K226-N242 WeakPolarHBondContact CD-OD1 3.33Å; K226-N242 WeakPolarHBondContact CE-OD1 3.46Å; K226-N242 VanDerWaalsContact NZ-CG 3.25Å; K226-N242 PolarHBondContact NZ-ND2 3.4Å; K226-N242 PolarHBondContact NZ-OD1 3.42Å; N242-G250 WeakPolarHBondContact O-CA 3.15Å; N242-E251 PolarHBondContact N-O 2.9Å; N242-W253 VanDerWaalsContact OD1-CH2 3.32Å; N242-W253 WeakPolarHBondContact OD1-CH2 3.47Å
243M83.4Confident85.8Confident77 Ų7750.2 Ų50.238%0.37925%0.254SS..PPolyproline II helixtrans-63.8151.7171.2-156.1174.3-51.900110.8Y223 F227 T245Y223-M243 HydrophobicContact CD1-CG 4.42Å; Y223-M243 HydrophobicContact CD1-SD 3.84Å; Y223-M243 HydrophobicContact CE1-SD 4.15Å; F227-M243 HydrophobicContact CD2-CE 3.78Å; F227-M243 HydrophobicContact CE2-CE 3.37Å; F227-M243 HydrophobicContact CZ-CE 4.23Å; M243-T245 PolarHBondContact O-N 3.04Å
244S83Confident86.2Confident39 Ų3943.1 Ų43.127%0.27322%0.221SC..PPolyproline II helixtrans-70126.6176.2-620000110.1Y76 Q248Y76-S244 PolarHBondContact OH-OG 2.94Å; S244-Q248 VanDerWaalsContact CA-O 3.28Å; S244-Q248 WeakPolarHBondContact CA-O 3.41Å; S244-Q248 WeakPolarHBondContact CB-O 3.3Å
245T78Confident86.5Confident57 Ų5742.8 Ų42.835%0.3522%0.217SC..BIsolated β-bridgetrans-114.5137.6179.155.30000110M243 G247 Q248M243-T245 PolarHBondContact O-N 3.04Å; T245-G247 PolarHBondContact O-N 2.9Å; T245-Q248 PolarHBondContact N-O 3.45Å; T245-Q248 PolarHBondContact O-N 3.39Å
246H71.1Confident86.5Confident126 Ų12641.4 Ų41.458%0.58321%0.211SC*.THydrogen-bonded Turntrans50.430.2-179.8-50.8-76000114.6Q248H246-Q248 PolarHBondContact O-N 2.96Å
247G71.4Confident86.5Confident8 Ų842.2 Ų42.28%0.08222%0.218CC..THydrogen-bonded Turntrans69.313.7-177.200000116.1P57 Y76 T245P57-G247 WeakPolarHBondContact CG-O 3.49Å; P57-G247 VanDerWaalsContact O-CA 3.31Å; P57-G247 WeakPolarHBondContact O-CA 3.2Å; Y76-G247 WeakPolarHBondContact CD1-O 3Å; T245-G247 PolarHBondContact O-N 2.9Å
248Q77.9Confident86.2Confident81 Ų8145.9 Ų45.938%0.37924%0.237SC..BIsolated β-bridgetrans-92.2148.4164.7-64-61.5-31.700109.6S244 T245 H246 G250S244-Q248 VanDerWaalsContact CA-O 3.28Å; S244-Q248 WeakPolarHBondContact CA-O 3.41Å; S244-Q248 WeakPolarHBondContact CB-O 3.3Å; T245-Q248 PolarHBondContact N-O 3.45Å; T245-Q248 PolarHBondContact O-N 3.39Å; H246-Q248 PolarHBondContact O-N 2.96Å; Q248-G250 PolarHBondContact O-N 3.34Å
249R84.1Confident86Confident63 Ų6348.4 Ų48.424%0.23825%0.254CS..PPolyproline II helixtrans-65.3135.6175.5-169162.7178.2160.6-0109.5Y76Y76-R249 HydrophobicContact CD1-CB 4.26Å; Y76-R249 HydrophobicContact CD2-CB 4.34Å; Y76-R249 HydrophobicContact CE1-CB 4.35Å; Y76-R249 HydrophobicContact CE2-CB 4.42Å; Y76-R249 HydrophobicContact CE2-CG 4.36Å; Y76-R249 HydrophobicContact CG-CB 4.25Å
250G86.6Confident85.7Confident6 Ų646.5 Ų46.56%0.06225%0.251CS..PPolyproline II helixtrans-59.7151.5174.600000111.7N242 Q248N242-G250 WeakPolarHBondContact O-CA 3.15Å; Q248-G250 PolarHBondContact O-N 3.34Å
251E90.2Very high85.6Confident73 Ų7350.5 Ų50.534%0.34128%0.276SS..EExtended strand (participates in β ladder)trans-69134.1172-65.6175.8168.800109.7C241 N242 W253 V269 R270C241-E251 WeakPolarHBondContact CA-O 3.21Å; N242-E251 PolarHBondContact N-O 2.9Å; E251-W253 WeakPolarHBondContact O-CZ3 3.07Å; E251-V269 CarbonylContact C-O 3.57Å; E251-V269 WeakPolarHBondContact CA-O 3.3Å; E251-R270 HydrophobicContact CG-CG 3.95Å; E251-R270 IonicContact OE1-NH2 3.6Å
252C91.9Very high85.5Confident2 Ų251 Ų511%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-120.9148.3178.5-60.80000110.4K239 Q240 C241 V269 G271 P273K239-C252 HydrophobicContact CD-CB 4.48Å; K239-C252 HydrophobicContact CG-CB 4.36Å; Q240-C252 CarbonylContact O-C 3.51Å; Q240-C252 WeakPolarHBondContact O-CA 3.36Å; Q240-C252 WeakPolarHBondContact O-CB 3.26Å; C241-C252 HydrophobicContact CB-CB 4.1Å; C241-C252 WeakPolarHBondContact CB-SG 3.38Å; C241-C252 WeakPolarHBondContact SG-CB 3.33Å; C241-C252 CovalentContact SG-SG 2.04Å; C241-C252 PolarHBondContact SG-SG 3.25Å; C252-V269 PolarHBondContact N-O 2.91Å; C252-V269 PolarHBondContact O-N 3.42Å; C252-G271 VanDerWaalsContact CB-O 3.27Å; C252-G271 WeakPolarHBondContact CB-O 3.37Å; C252-G271 PolarHBondContact SG-O 2.86Å; C252-P273 HydrophobicContact CB-CG 4.11Å
253W92Very high85.4Confident39 Ų3950 Ų5015%0.14827%0.268CS..EExtended strand (participates in β ladder)trans-144.6168.9178.560.494.9000111.1Q240 N242 E251 V255 Q262 R268Q240-W253 HydrophobicContact CB-CD2 4.32Å; Q240-W253 HydrophobicContact CB-CZ2 3.85Å; Q240-W253 PolarHBondContact N-O 2.92Å; Q240-W253 PolarHBondContact O-N 3.37Å; N242-W253 VanDerWaalsContact OD1-CH2 3.32Å; N242-W253 WeakPolarHBondContact OD1-CH2 3.47Å; E251-W253 WeakPolarHBondContact O-CZ3 3.07Å; W253-V255 VanDerWaalsContact CD1-CG1 3.42Å; W253-V255 VanDerWaalsContact NE1-CG1 3.32Å; W253-Q262 HydrophobicContact CG-CG 4.49Å; W253-R268 HydrophobicContact CB-CG 3.84Å; W253-R268 HydrophobicContact CG-CG 4.46Å
254C92.6Very high85.1Confident0 Ų051.4 Ų51.40%028%0.282CS..EExtended strand (participates in β ladder)trans-99.5137.3178.5-50.40000111.1L238 Q262 I263 T266 C275L238-C254 CarbonylContact O-C 3.54Å; L238-C254 WeakPolarHBondContact O-CA 3.38Å; C254-Q262 WeakPolarHBondContact O-CA 3.27Å; C254-I263 HydrophobicContact CB-CD1 3.98Å; C254-I263 PolarHBondContact O-N 2.91Å; C254-T266 HydrophobicContact CB-CG2 3.84Å; C254-C275 WeakPolarHBondContact CA-SG 3.3Å; C254-C275 HydrophobicContact CB-CB 3.83Å; C254-C275 WeakPolarHBondContact CB-SG 3.38Å; C254-C275 WeakPolarHBondContact SG-CA 3.47Å; C254-C275 WeakPolarHBondContact SG-CB 3.37Å; C254-C275 CovalentContact SG-SG 2.03Å; C254-C275 PolarHBondContact SG-SG 3.13Å
255V91.4Very high84.9Confident0 Ų058.3 Ų58.30%031%0.311CS..BIsolated β-bridgetrans-127157.5178.6-56.80000110.9N237 L238 Q240 W253 G260 V261N237-V255 WeakPolarHBondContact O-CG2 3.33Å; L238-V255 VanDerWaalsContact CD1-O 3.32Å; L238-V255 WeakPolarHBondContact CD1-O 3.5Å; L238-V255 PolarHBondContact O-N 2.94Å; Q240-V255 HydrophobicContact CB-CG1 4.14Å; Q240-V255 HydrophobicContact CG-CB 4.18Å; Q240-V255 HydrophobicContact CG-CG1 3.58Å; Q240-V255 HydrophobicContact CG-CG2 3.47Å; Q240-V255 VanDerWaalsContact CG-CG2 3.47Å; W253-V255 VanDerWaalsContact CD1-CG1 3.42Å; W253-V255 VanDerWaalsContact NE1-CG1 3.32Å; V255-G260 WeakPolarHBondContact CB-O 3.39Å; V255-G260 WeakPolarHBondContact CG1-O 3.29Å; V255-V261 CarbonylContact C-O 3.15Å; V255-V261 VanDerWaalsContact CA-O 3.22Å; V255-V261 WeakPolarHBondContact CA-O 3.36Å; V255-V261 WeakPolarHBondContact CB-O 3.28Å
256D89.1Confident85.1Confident49 Ų4956 Ų5626%0.26230%0.296SS..  trans-69.2126.7169.3175-5.5000110.3L258 T259 G260 V261D256-L258 PolarHBondContact O-N 3.21Å; D256-L258 VanDerWaalsContact O-N 3.17Å; D256-L258 PolarHBondContact OD1-N 2.93Å; D256-T259 WeakPolarHBondContact CB-OG1 3.3Å; D256-T259 PolarHBondContact O-N 3.27Å; D256-T259 PolarHBondContact OD2-OG1 2.96Å; D256-G260 WeakPolarHBondContact O-CA 3.4Å; D256-G260 PolarHBondContact O-N 2.87Å; D256-V261 PolarHBondContact N-O 3.44Å
257P88.9Confident85.7Confident36 Ų3653.2 Ų53.223%0.23429%0.29CS..THydrogen-bonded Turntrans-58.3-26.2-179.7-26.335.9000115.5Y236 L238Y236-P257 PolarHBondContact N-O 3.49Å; Y236-P257 WeakPolarHBondContact O-CA 3.29Å; Y236-P257 WeakPolarHBondContact O-CB 3.42Å; L238-P257 HydrophobicContact CD1-CG 3.9Å
258L85.2Confident86.5Confident128 Ų12859.6 Ų59.667%0.6731%0.311SS*.THydrogen-bonded Turntrans-85.6-40.8-179.9-88.872.3000112.4D256D256-L258 PolarHBondContact O-N 3.21Å; D256-L258 VanDerWaalsContact O-N 3.17Å; D256-L258 PolarHBondContact OD1-N 2.93Å
259T85.5Confident87Confident77 Ų7758 Ų5847%0.47231%0.307SS..THydrogen-bonded Turntrans-104.2-18.9-170.362.50000113.7D256 V261D256-T259 WeakPolarHBondContact CB-OG1 3.3Å; D256-T259 PolarHBondContact O-N 3.27Å; D256-T259 PolarHBondContact OD2-OG1 2.96Å; T259-V261 PolarHBondContact O-N 3.07Å; T259-V261 PolarHBondContact OG1-N 3.45Å
260G86.6Confident87Confident21 Ų2163 Ų6322%0.21633%0.326CS..  trans70.72.2-17300000113.7Y236 V255 D256Y236-G260 VanDerWaalsContact CD2-CA 3.49Å; Y236-G260 VanDerWaalsContact CD2-N 3.34Å; Y236-G260 VanDerWaalsContact CG-CA 3.5Å; V255-G260 WeakPolarHBondContact CB-O 3.39Å; V255-G260 WeakPolarHBondContact CG1-O 3.29Å; D256-G260 WeakPolarHBondContact O-CA 3.4Å; D256-G260 PolarHBondContact O-N 2.87Å
261V88.9Confident86.8Confident94 Ų9463.1 Ų63.157%0.5733%0.328SS*.PPolyproline II helixtrans-78.3138.3-178.5178.60000110.1V255 D256 T259 I263V255-V261 CarbonylContact C-O 3.15Å; V255-V261 VanDerWaalsContact CA-O 3.22Å; V255-V261 WeakPolarHBondContact CA-O 3.36Å; V255-V261 WeakPolarHBondContact CB-O 3.28Å; D256-V261 PolarHBondContact N-O 3.44Å; T259-V261 PolarHBondContact O-N 3.07Å; T259-V261 PolarHBondContact OG1-N 3.45Å; V261-I263 PolarHBondContact O-N 2.96Å
262Q89.3Confident86.5Confident63 Ų6363.3 Ų63.329%0.29433%0.331SS..BIsolated β-bridgetrans-59.2130.1177.7-176.8177.1-7.200111.1W253 C254 T266W253-Q262 HydrophobicContact CG-CG 4.49Å; C254-Q262 WeakPolarHBondContact O-CA 3.27Å; Q262-T266 PolarHBondContact NE2-O 3.49Å
263I86.6Confident86.2Confident12 Ų1263.7 Ų63.76%0.06233%0.333CS..PPolyproline II helixtrans-70.4124.6178.3-57.6165.6000108L238 C254 V261 T266 L282L238-I263 HydrophobicContact CD1-CD1 4.25Å; C254-I263 HydrophobicContact CB-CD1 3.98Å; C254-I263 PolarHBondContact O-N 2.91Å; V261-I263 PolarHBondContact O-N 2.96Å; I263-T266 HydrophobicContact CB-CG2 3.86Å; I263-T266 HydrophobicContact CG2-CG2 3.99Å; I263-T266 PolarHBondContact O-N 3.42Å; I263-T266 PolarHBondContact O-OG1 2.77Å; I263-L282 HydrophobicContact CD1-CD1 3.41Å; I263-L282 VanDerWaalsContact CD1-CD1 3.41Å; I263-L282 HydrophobicContact CG1-CD1 3.83Å; I263-L282 HydrophobicContact CG2-CD1 4.27Å; I263-L282 HydrophobicContact CG2-CD2 4.49Å
264P77Confident85.8Confident105 Ų10566.5 Ų66.568%0.68235%0.351SS*.THydrogen-bonded Turntrans-58.1146.817625.8-33000109.4T266P264-T266 VanDerWaalsContact C-N 3.3Å; P264-T266 PolarHBondContact O-N 2.82Å
265E78.6Confident85.4Confident185 Ų18566.8 Ų66.886%0.86435%0.353SS*.THydrogen-bonded Turntrans79-11.2-175.8-47.2178.4169.900116.5
266T81.1Confident84.9Confident7 Ų772.8 Ų72.84%0.04339%0.385CS..  trans-83.1125.9176.8650000112C254 Q262 I263 P264 F278C254-T266 HydrophobicContact CB-CG2 3.84Å; Q262-T266 PolarHBondContact NE2-O 3.49Å; I263-T266 HydrophobicContact CB-CG2 3.86Å; I263-T266 HydrophobicContact CG2-CG2 3.99Å; I263-T266 PolarHBondContact O-N 3.42Å; I263-T266 PolarHBondContact O-OG1 2.77Å; P264-T266 VanDerWaalsContact C-N 3.3Å; P264-T266 PolarHBondContact O-N 2.82Å; T266-F278 HydrophobicContact CG2-CB 4.18Å; T266-F278 HydrophobicContact CG2-CD1 3.64Å; T266-F278 HydrophobicContact CG2-CD2 3.69Å; T266-F278 HydrophobicContact CG2-CE1 3.85Å; T266-F278 HydrophobicContact CG2-CE2 3.9Å; T266-F278 HydrophobicContact CG2-CG 3.55Å; T266-F278 HydrophobicContact CG2-CZ 3.97Å
267P83.6Confident84.2Confident69 Ų6977 Ų7745%0.44840%0.403SS..  trans-73144.3-178.930-34.5000111.3V269P267-V269 HydrophobicContact CB-CG1 3.97Å; P267-V269 HydrophobicContact CG-CG1 4.11Å
268R89.1Confident83.2Confident141 Ų14177.9 Ų77.953%0.53240%0.403SS..  trans-81.2115.6163.8-79.8174.4-176.4-148.32.7108.2W253W253-R268 HydrophobicContact CB-CG 3.84Å; W253-R268 HydrophobicContact CG-CG 4.46Å
269V89.1Confident82.1Confident49 Ų4975.1 Ų75.130%0.29739%0.387SS..EExtended strand (participates in β ladder)trans-128.2150.2-178-56.60000110.9E251 C252 P267 G271 P273E251-V269 CarbonylContact C-O 3.57Å; E251-V269 WeakPolarHBondContact CA-O 3.3Å; C252-V269 PolarHBondContact N-O 2.91Å; C252-V269 PolarHBondContact O-N 3.42Å; P267-V269 HydrophobicContact CB-CG1 3.97Å; P267-V269 HydrophobicContact CG-CG1 4.11Å; V269-G271 PolarHBondContact O-N 3.43Å; V269-P273 HydrophobicContact CG2-CB 3.84Å
270R84.6Confident80.8Confident166 Ų16678.9 Ų78.963%0.62640%0.399SS*.EExtended strand (participates in β ladder)trans-78.3103.9167.8-71.8-168.2175.6101.46.4108.8E251E251-R270 HydrophobicContact CG-CG 3.95Å; E251-R270 IonicContact OE1-NH2 3.6Å
271G81Confident79.3Confident10 Ų1081.3 Ų81.310%0.10342%0.417CS..SBendtrans133.1-143.3-174.100000114.1C252 V269 P273C252-G271 VanDerWaalsContact CB-O 3.27Å; C252-G271 WeakPolarHBondContact CB-O 3.37Å; C252-G271 PolarHBondContact SG-O 2.86Å; V269-G271 PolarHBondContact O-N 3.43Å; G271-P273 WeakPolarHBondContact O-CD 3.38Å
272D83.6Confident77.7Confident76 Ų7681.3 Ų81.341%0.40641%0.413SS..  trans-96.9115.8174.4-153.3-32.4000110.4K239 N274K239-D272 IonicContact NZ-OD1 2.82Å; K239-D272 PolarHBondContact NZ-OD1 3.2Å; K239-D272 IonicContact NZ-OD2 3.73Å; K239-D272 PolarHBondContact NZ-OD2 2.9Å; D272-N274 PolarHBondContact O-N 3.37Å; D272-N274 PolarHBondContact OD1-N 3.17Å; D272-N274 VanDerWaalsContact OD1-N 3.09Å
273P85.3Confident76.1Confident10 Ų1087.2 Ų87.27%0.06543%0.433CS..  trans-72.80.3173.727.3-34.4000114.2K239 C252 V269 G271 C275K239-P273 HydrophobicContact CD-CG 4.17Å; K239-P273 HydrophobicContact CG-CG 4.19Å; C252-P273 HydrophobicContact CB-CG 4.11Å; V269-P273 HydrophobicContact CG2-CB 3.84Å; G271-P273 WeakPolarHBondContact O-CD 3.38Å; P273-C275 VanDerWaalsContact CG-SG 3.54Å
274N84.2Confident73.9Confident99 Ų9989.8 Ų89.853%0.52946%0.456SS..  trans55.452.4-178.4-61.8-45.4000112.9D272 N276 H277D272-N274 PolarHBondContact O-N 3.37Å; D272-N274 PolarHBondContact OD1-N 3.17Å; D272-N274 VanDerWaalsContact OD1-N 3.09Å; N274-N276 PolarHBondContact O-N 2.99Å; N274-H277 PolarHBondContact O-N 2.64Å
275C84.7Confident72.3Confident5 Ų589.4 Ų89.43%0.03445%0.454CS..G310 helixtrans-61.8-19.2-173.6-61.90000115.2L238 C254 P273 H277 F278L238-C275 HydrophobicContact CB-CB 4.49Å; L238-C275 HydrophobicContact CD2-CB 3.5Å; L238-C275 VanDerWaalsContact CD2-CB 3.5Å; L238-C275 WeakPolarHBondContact CD2-O 3.37Å; L238-C275 HydrophobicContact CG-CB 3.74Å; C254-C275 WeakPolarHBondContact CA-SG 3.3Å; C254-C275 HydrophobicContact CB-CB 3.83Å; C254-C275 WeakPolarHBondContact CB-SG 3.38Å; C254-C275 WeakPolarHBondContact SG-CA 3.47Å; C254-C275 WeakPolarHBondContact SG-CB 3.37Å; C254-C275 CovalentContact SG-SG 2.03Å; C254-C275 PolarHBondContact SG-SG 3.13Å; P273-C275 VanDerWaalsContact CG-SG 3.54Å; C275-H277 PolarHBondContact O-N 2.72Å; C275-H277 VanDerWaalsContact O-N 3.16Å; C275-F278 PolarHBondContact O-N 2.81Å
276N80.9Confident70.7Confident126 Ų12686 Ų8667%0.67446%0.457SS*.G310 helixtrans-57.8-30.9-178.8-62.5-17.2000112.9N274 F278N274-N276 PolarHBondContact O-N 2.99Å; N276-F278 VanDerWaalsContact C-N 3.29Å; N276-F278 PolarHBondContact O-N 3.37Å
277H74.4Confident69Low139 Ų13990.7 Ų90.764%0.64449%0.486SS*.G310 helixtrans-67.7-27.4178.1-68.4-83.1000113.3N274 C275N274-H277 PolarHBondContact O-N 2.64Å; C275-H277 PolarHBondContact O-N 2.72Å; C275-H277 VanDerWaalsContact O-N 3.16Å
278F66.9Low67.2Low54 Ų5494.1 Ų94.124%0.23751%0.506CS..THydrogen-bonded Turntrans-90-13.8-174.7-61.4-80.3000113.1T266 C275 N276 E280 A281 L282T266-F278 HydrophobicContact CG2-CB 4.18Å; T266-F278 HydrophobicContact CG2-CD1 3.64Å; T266-F278 HydrophobicContact CG2-CD2 3.69Å; T266-F278 HydrophobicContact CG2-CE1 3.85Å; T266-F278 HydrophobicContact CG2-CE2 3.9Å; T266-F278 HydrophobicContact CG2-CG 3.55Å; T266-F278 HydrophobicContact CG2-CZ 3.97Å; C275-F278 PolarHBondContact O-N 2.81Å; N276-F278 VanDerWaalsContact C-N 3.29Å; N276-F278 PolarHBondContact O-N 3.37Å; F278-E280 PolarHBondContact O-N 3.37Å; F278-A281 PolarHBondContact O-N 3.43Å; F278-L282 PolarHBondContact O-N 3.34Å
279Q64.1Low64.9Low70 Ų7092.9 Ų92.933%0.32753%0.526SS..Hα-helixtrans-67.7-25.9176.9-169165-4.600112.5L238 R283L238-Q279 HydrophobicContact CD2-CB 4.23Å; Q279-R283 WeakPolarHBondContact O-CG 3.5Å
280E57.4Low62.7Low155 Ų155101.2 Ų101.272%0.72455%0.552SS**Hα-helixtrans-74.4-36.5175.3-68.1179.3167.200112F278 R283 A284F278-E280 PolarHBondContact O-N 3.37Å; E280-R283 PolarHBondContact O-N 3.14Å; E280-A284 PolarHBondContact O-N 3.17Å
281A54.5Low61Low73 Ų73100.9 Ų100.960%0.60356%0.561SS**Hα-helixtrans-69.5-36.2179.300000112.9F278 R283 A284F278-A281 PolarHBondContact O-N 3.43Å; A281-R283 VanDerWaalsContact C-N 3.3Å; A281-R283 PolarHBondContact O-N 2.79Å; A281-A284 PolarHBondContact O-N 3.09Å
282L56.7Low59Low93 Ų93105.9 Ų105.949%0.48760%0.595SS.*Hα-helixtrans-74.1-18176.7-73.1167.2000113.8I263 F278I263-L282 HydrophobicContact CD1-CD1 3.41Å; I263-L282 VanDerWaalsContact CD1-CD1 3.41Å; I263-L282 HydrophobicContact CG1-CD1 3.83Å; I263-L282 HydrophobicContact CG2-CD1 4.27Å; I263-L282 HydrophobicContact CG2-CD2 4.49Å; F278-L282 PolarHBondContact O-N 3.34Å
283R54.8Low57.1Low187 Ų187114.7 Ų114.771%0.70662%0.622SS**THydrogen-bonded Turntrans-89.5-5.9175.1-75.9-179.7178.9167.40.8113.3Q279 E280 A281 P285Q279-R283 WeakPolarHBondContact O-CG 3.5Å; E280-R283 PolarHBondContact O-N 3.14Å; A281-R283 VanDerWaalsContact C-N 3.3Å; A281-R283 PolarHBondContact O-N 2.79Å; R283-P285 VanDerWaalsContact O-CD 3.3Å; R283-P285 WeakPolarHBondContact O-CD 3.36Å
284A40.6Very low55.2Low66 Ų66125.4 Ų125.455%0.54566%0.661SS.*SBendtrans-71.8116.617200000109E280 A281 A286E280-A284 PolarHBondContact O-N 3.17Å; A281-A284 PolarHBondContact O-N 3.09Å; A284-A286 PolarHBondContact O-N 3.36Å
285P42.8Very low53Low98 Ų98134.1 Ų134.164%0.63670%0.695SS**  trans-63.4130.1174.125.8-31.6000108.5R283 T287R283-P285 VanDerWaalsContact O-CD 3.3Å; R283-P285 WeakPolarHBondContact O-CD 3.36Å; P285-T287 HydrophobicContact CB-CG2 4.44Å; P285-T287 PolarHBondContact O-N 2.97Å; P285-T287 PolarHBondContact O-OG1 2.96Å
286A45.3Very low51.4Low113 Ų113140.6 Ų140.693%0.93473%0.728SS**  trans-60.580.4166.500000109.3A284A284-A286 PolarHBondContact O-N 3.36Å
287T46.5Very low49.8Very low105 Ų105141.4 Ų141.464%0.64473%0.731SS**  trans-115.1127.9173.336.90000107.5P285P285-T287 HydrophobicContact CB-CG2 4.44Å; P285-T287 PolarHBondContact O-N 2.97Å; P285-T287 PolarHBondContact O-OG1 2.96Å
288T44.2Very low48.5Very low142 Ų142141.5 Ų141.587%0.87174%0.736SS**  trans8064177.778.80000118.3
289A40.6Very low47.4Very low114 Ų114146.6 Ų146.694%0.94277%0.765SS**  trans-108.766.6136.400000109.2
290R42.8Very low46.3Very low225 Ų225151.4 Ų151.485%0.84979%0.792SS**  trans-118.4123.5166.4-138.6-174.4-167.8-172.73.5108.6
291L49.7Very low45.6Very low158 Ų158151.2 Ų151.283%0.82780%0.797SS**  trans69.691.4165.1-68.5123.8000118.2
292S39.1Very low45Very low115 Ų115156.8 Ų156.880%0.80481%0.811SS**  -156.883.1125.9-163.60000110.9
293R43Very low44.1Very low261 Ų261161.7 Ų161.799%0.98584%0.835SS**  trans-110.182.4148.3-83.5-171.8-175.2176.82.4106.9
294R45.4Very low43.2Very low235 Ų235159.6 Ų159.689%0.88785%0.846SS**  trans-108.2105.3153.8-87.2-172.8177.9-179.60.2107.2
295K38.3Very low43.4Very low283 Ų283168.1 Ų168.1100%1.2387%0.874SS**  trans-1670134.7-109.2177.8-179.2-178.30108.2

Retrieved 295 of 295 residues in 69.7 ms (Link to these results)