A0A096M5A7_POEFO Loading...

Insulin-like growth factor-binding protein 1

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 A0A096M5A7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51Low50.4Low227 Ų227133.5 Ų133.5100%1.11870%0.697SS**  09.60-63.5-166.8-161.800114.8
2L50Low50.5Low160 Ų160132.5 Ų132.584%0.83869%0.692SS**  trans-94.1-29.5176.9-94.777.2000114.6M4 R5L2-M4 PolarHBondContact O-N 2.86Å; L2-R5 PolarHBondContact O-N 3.35Å
3A50.1Low50.8Low89 Ų89126.5 Ų126.574%0.73667%0.674SS**Hα-helixtrans-69.9-28.6-177.300000114.3R5A3-R5 VanDerWaalsContact C-N 3.35Å
4M47.8Very low51Low155 Ų155123.7 Ų123.776%0.76466%0.663SS**Hα-helixtrans-80.9-14-178.7-66.8-94.9-83.600113.4L2L2-M4 PolarHBondContact O-N 2.86Å
5R48.2Very low51.2Low186 Ų186119 Ų11970%0.70265%0.648SS**Hα-helixtrans-86.2-36.9-180-142.2171.1-179.2171.3-0.5111.1L2 A3 R8 H9L2-R5 PolarHBondContact O-N 3.35Å; A3-R5 VanDerWaalsContact C-N 3.35Å; R5-R8 PolarHBondContact O-N 3.12Å; R5-H9 PolarHBondContact O-CD2 3.08Å; R5-H9 PolarHBondContact O-N 2.79Å
6G49.8Very low51.4Low40 Ų40116.5 Ų116.541%0.41264%0.638SS.*Hα-helixtrans-65.2-40.8174.400000113.4R8 H9 V10G6-R8 VanDerWaalsContact C-N 3.33Å; G6-R8 PolarHBondContact O-N 3.44Å; G6-H9 PolarHBondContact O-N 3.31Å; G6-V10 WeakPolarHBondContact O-CG2 3.32Å; G6-V10 PolarHBondContact O-N 3.29Å
7L49.8Very low51.3Low132 Ų132114.4 Ų114.469%0.69163%0.632SS**Hα-helixtrans-67.3-33.5179.5-144.474.4000112.7A11L7-A11 VanDerWaalsContact O-CB 3.25Å; L7-A11 WeakPolarHBondContact O-CB 3.3Å; L7-A11 PolarHBondContact O-N 3.02Å
8R49.2Very low51.1Low197 Ų197112.2 Ų112.274%0.74363%0.626SS**Hα-helixtrans-69.1-38.9173.8-88.5179.7149.8-174.2-5.6112.8R5 G6 L12R5-R8 PolarHBondContact O-N 3.12Å; G6-R8 VanDerWaalsContact C-N 3.33Å; G6-R8 PolarHBondContact O-N 3.44Å; R8-L12 WeakPolarHBondContact O-CB 3.47Å; R8-L12 PolarHBondContact O-N 2.82Å
9H51.1Low50.9Low128 Ų128113.7 Ų113.759%0.59363%0.632SS**Hα-helixtrans-71.1-36.8177.2-72.6-59.1000112.5R5 G6 A13R5-H9 PolarHBondContact O-CD2 3.08Å; R5-H9 PolarHBondContact O-N 2.79Å; G6-H9 PolarHBondContact O-N 3.31Å; H9-A13 WeakPolarHBondContact O-CB 3.41Å; H9-A13 PolarHBondContact O-N 3.29Å
10V54.6Low50.8Low93 Ų93115.1 Ų115.156%0.56464%0.638SS**Hα-helixtrans-67.9-42173.6175.40000111.1G6 A13 V14G6-V10 WeakPolarHBondContact O-CG2 3.32Å; G6-V10 PolarHBondContact O-N 3.29Å; V10-A13 PolarHBondContact O-N 2.76Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.46Å; V10-V14 PolarHBondContact O-N 3.15Å
11A52.5Low50.7Low62 Ų62115.4 Ų115.451%0.51264%0.642SS.*Hα-helixtrans-65.6-37.6176.500000112.9L7 A15L7-A11 VanDerWaalsContact O-CB 3.25Å; L7-A11 WeakPolarHBondContact O-CB 3.3Å; L7-A11 PolarHBondContact O-N 3.02Å; A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 2.81Å; A11-A15 VanDerWaalsContact O-N 3.07Å
12L52.1Low50.7Low121 Ų121109.8 Ų109.863%0.63462%0.621SS**Hα-helixtrans-68.3-41175.3-127.292.2000111.8R8 A15 V16R8-L12 WeakPolarHBondContact O-CB 3.47Å; R8-L12 PolarHBondContact O-N 2.82Å; L12-A15 PolarHBondContact O-N 2.54Å; L12-V16 WeakPolarHBondContact O-CB 3.22Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 2.89Å
13A54.2Low50.5Low55 Ų55107.2 Ų107.246%0.45561%0.612SS.*Hα-helixtrans-66.3-39.3179.500000112.3H9 V10 C17H9-A13 WeakPolarHBondContact O-CB 3.41Å; H9-A13 PolarHBondContact O-N 3.29Å; V10-A13 PolarHBondContact O-N 2.76Å; A13-C17 WeakPolarHBondContact O-CB 3.24Å; A13-C17 PolarHBondContact O-N 2.92Å; A13-C17 PolarHBondContact O-SG 3.46Å
14V54.2Low50.2Low87 Ų87109.8 Ų109.853%0.52762%0.618SS.*Hα-helixtrans-70.2-37.2176175.80000111.4V10 S18V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.46Å; V10-V14 PolarHBondContact O-N 3.15Å; V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 2.93Å; V14-S18 PolarHBondContact O-OG 3.24Å
15A54.1Low50.1Low53 Ų53109.1 Ų109.144%0.43862%0.617SS.*Hα-helixtrans-67.8-39.6175.700000112.8A11 L12 S18 L19A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 2.81Å; A11-A15 VanDerWaalsContact O-N 3.07Å; L12-A15 PolarHBondContact O-N 2.54Å; A15-S18 PolarHBondContact O-N 3.34Å; A15-L19 PolarHBondContact O-N 3.13Å
16V53.4Low49.8Very low79 Ų79103.1 Ų103.148%0.47961%0.613SS.*Hα-helixtrans-71.1-35.8176.9173.40000111.7L12 L20L12-V16 WeakPolarHBondContact O-CB 3.22Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 2.89Å; V16-L20 HydrophobicContact CG1-CD1 4.26Å; V16-L20 PolarHBondContact O-N 2.83Å
17C49.3Very low49.5Very low81 Ų81106 Ų10655%0.54763%0.627SS.*Hα-helixtrans-71.6-32.4173.7-680000112.7A13 L19 L20 V21A13-C17 WeakPolarHBondContact O-CB 3.24Å; A13-C17 PolarHBondContact O-N 2.92Å; A13-C17 PolarHBondContact O-SG 3.46Å; C17-L19 VanDerWaalsContact C-N 3.33Å; C17-L20 PolarHBondContact O-N 3.37Å; C17-V21 WeakPolarHBondContact O-CG2 3.15Å
18S48.7Very low49.5Very low75 Ų75104.2 Ų104.252%0.52462%0.623SS.*Hα-helixtrans-73.7-23.8177.3-55.70000113V14 A15V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 2.93Å; V14-S18 PolarHBondContact O-OG 3.24Å; A15-S18 PolarHBondContact O-N 3.34Å
19L47.8Very low49.3Very low141 Ų141101 Ų10174%0.73863%0.625SS**Hα-helixtrans-82.5-13.4174.4-82.2158.6000113.7A15 C17A15-L19 PolarHBondContact O-N 3.13Å; C17-L19 VanDerWaalsContact C-N 3.33Å
20L49.1Very low49.4Very low141 Ų141100.3 Ų100.374%0.73863%0.63SS**SBendtrans-100-4.4-179-74.4166.2000114.1V16 C17V16-L20 HydrophobicContact CG1-CD1 4.26Å; V16-L20 PolarHBondContact O-N 2.83Å; C17-L20 PolarHBondContact O-N 3.37Å
21V48.4Very low49.5Very low122 Ų12298.3 Ų98.374%0.73963%0.628SS**SBendtrans-105.1-7.2-173.6173.90000114.1C17C17-V21 WeakPolarHBondContact O-CG2 3.15Å
22T49.5Very low49.8Very low109 Ų10998.2 Ų98.267%0.66962%0.624SS**SBendtrans-110.4120.8175.955.50000111.7
23V47.5Very low50.5Low106 Ų10698.2 Ų98.264%0.64262%0.62SS**  trans9363.8164.8-157.80000114.8L25V23-L25 HydrophobicContact CG1-CB 4.28Å; V23-L25 HydrophobicContact CG1-CD1 3.18Å; V23-L25 HydrophobicContact CG1-CG 4.32Å; V23-L25 PolarHBondContact O-N 3.11Å
24T42.5Very low51.7Low142 Ų14299.1 Ų99.187%0.87162%0.622SS**  trans-58.998131.950.30000106.1G26T24-G26 PolarHBondContact O-N 2.86Å
25L46.4Very low53.1Low142 Ų14299.4 Ų99.474%0.74362%0.619SS**  trans-61.591.5161.5-131.275.5000104.3V23 S27V23-L25 HydrophobicContact CG1-CB 4.28Å; V23-L25 HydrophobicContact CG1-CD1 3.18Å; V23-L25 HydrophobicContact CG1-CG 4.32Å; V23-L25 PolarHBondContact O-N 3.11Å; L25-S27 PolarHBondContact O-N 3.08Å
26G41.3Very low54.7Low60 Ų60104.2 Ų104.262%0.61963%0.626SS**  trans-48.7120.7157.400000104.6T24 P28T24-G26 PolarHBondContact O-N 2.86Å; G26-P28 WeakPolarHBondContact O-CD 3.32Å
27S44.6Very low56.5Low100 Ų100103.3 Ų103.370%0.69962%0.623SS**  trans-48.3119.2173.3-168.20000105.6L25 V29L25-S27 PolarHBondContact O-N 3.08Å; S27-V29 PolarHBondContact O-N 3.39Å
28P48.1Very low58.5Low94 Ų94100.3 Ų100.361%0.6160%0.604SS**  trans-69.592.9169.831.2-28.6000102.3G26 V30G26-P28 WeakPolarHBondContact O-CD 3.32Å; P28-V30 HydrophobicContact CB-CG2 3.97Å; P28-V30 PolarHBondContact O-N 3.46Å
29V46.6Very low60.5Low129 Ų129101.1 Ų101.178%0.78261%0.607SS**  trans-62.583.2147.4-178.90000102.3S27 G31S27-V29 PolarHBondContact O-N 3.39Å; V29-G31 PolarHBondContact O-N 2.04Å
30V52.9Low62.6Low114 Ų11496.1 Ų96.169%0.69158%0.584SS**  trans-59.3921601750000101.7P28 S32P28-V30 HydrophobicContact CB-CG2 3.97Å; P28-V30 PolarHBondContact O-N 3.46Å; V30-S32 PolarHBondContact O-N 2.03Å
31G55.5Low64.6Low51 Ų5192.5 Ų92.553%0.52657%0.567SS.*PPolyproline II helixtrans-51.9136.116600000105.9V29 E33V29-G31 PolarHBondContact O-N 2.04Å; G31-E33 PolarHBondContact O-N 2.89Å
32S59.6Low66.8Low61 Ų6191 Ų9143%0.42756%0.56SS.*PPolyproline II helixtrans-48130.7175.663.80000108.2V30V30-S32 PolarHBondContact O-N 2.03Å
33E67.4Low68.8Low120 Ų12091.3 Ų91.356%0.56155%0.554SS**PPolyproline II helixtrans-51.6140.7-179.7-165.5177.1167.800109.5G31 R36 Q195G31-E33 PolarHBondContact O-N 2.89Å; E33-R36 IonicContact OE1-NE 3.27Å; E33-R36 PolarHBondContact OE1-NE 3.42Å; E33-Q195 VanDerWaalsContact O-CD 3.25Å; E33-Q195 PolarHBondContact O-NE2 2.97Å; E33-Q195 PolarHBondContact O-OE1 3.42Å
34P78.1Confident70.8Confident74 Ų7491.1 Ų91.148%0.48154%0.542SS..PPolyproline II helixtrans-63.4148.317924.5-34.6000110.9R36 Q195P34-R36 WeakPolarHBondContact O-CG 3.27Å; P34-R36 PolarHBondContact O-N 2.88Å; P34-Q195 PolarHBondContact O-NE2 3.29Å
35I84.1Confident73.2Confident94 Ų9488.6 Ų88.648%0.48252%0.522SS..PPolyproline II helixtrans-62.7124.5174.6-61.7176000108.8I191 L225I35-I191 HydrophobicContact CD1-CG2 4.38Å; I35-L225 HydrophobicContact CG2-CD1 3.65Å; I35-L225 HydrophobicContact CG2-CD2 3.59Å; I35-L225 HydrophobicContact CG2-CG 4.3Å
36R88.1Confident75.4Confident154 Ų15486.4 Ų86.458%0.58152%0.519SS*.  trans-118.3153.1178.7-53.2-170-171.8-82.92.1110.7E33 P34E33-R36 IonicContact OE1-NE 3.27Å; E33-R36 PolarHBondContact OE1-NE 3.42Å; P34-R36 WeakPolarHBondContact O-CG 3.27Å; P34-R36 PolarHBondContact O-N 2.88Å
37C90.9Very high77.9Confident60 Ų6090 Ų9041%0.40552%0.52SS..PPolyproline II helixtrans-62146.5169.2-63.30000110.5C64 L225C37-C64 VanDerWaalsContact CA-SG 3.56Å; C37-C64 HydrophobicContact CB-CB 3.65Å; C37-C64 WeakPolarHBondContact CB-SG 3.06Å; C37-C64 WeakPolarHBondContact SG-CA 3.04Å; C37-C64 WeakPolarHBondContact SG-CB 3.35Å; C37-C64 CovalentContact SG-SG 2.04Å; C37-C64 PolarHBondContact SG-SG 2.6Å; C37-L225 CarbonylContact C-O 3.53Å; C37-L225 WeakPolarHBondContact CA-O 3.49Å
38A90.6Very high80.3Confident18 Ų1886.9 Ų86.915%0.14950%0.498CS..PPolyproline II helixtrans-63.7146.1169.800000110T203 L225 D226A38-T203 HydrophobicContact CB-CG2 3.71Å; A38-L225 PolarHBondContact N-O 3.44Å; A38-D226 HydrophobicContact CB-CB 4.25Å
39P91.4Very high82.5Confident92 Ų9286.9 Ų86.960%0.59750%0.498SS*.PPolyproline II helixtrans-63.5146.8174.827.1-33.8000110.9
40C92.4Very high84.6Confident36 Ų3685.5 Ų85.524%0.24350%0.5CS..PPolyproline II helixtrans-75.2130.1174.8-66.40000111.3L45 R60 C66C40-L45 HydrophobicContact CB-CD1 4.22Å; C40-L45 HydrophobicContact CB-CD2 4.1Å; C40-L45 HydrophobicContact CB-CG 4.06Å; C40-R60 PolarHBondContact SG-NH1 2.94Å; C40-R60 PolarHBondContact SG-NH2 3.06Å; C40-C66 VanDerWaalsContact CA-SG 3.55Å; C40-C66 HydrophobicContact CB-CB 4.01Å; C40-C66 WeakPolarHBondContact CB-SG 3.28Å; C40-C66 WeakPolarHBondContact SG-CA 3.29Å; C40-C66 WeakPolarHBondContact SG-CB 3.38Å; C40-C66 CovalentContact SG-SG 2.04Å; C40-C66 PolarHBondContact SG-SG 2.79Å
41T91.4Very high86.5Confident65 Ų6582.3 Ų82.340%0.39948%0.48SS..PPolyproline II helixtrans-80.9151.717282.60000110.5E43 R44 L45T41-E43 WeakPolarHBondContact CB-OE2 3.34Å; T41-E43 PolarHBondContact O-N 2.79Å; T41-E43 PolarHBondContact OG1-OE2 3.1Å; T41-R44 WeakPolarHBondContact O-CB 3.31Å; T41-R44 PolarHBondContact O-N 3.22Å; T41-R44 PolarHBondContact OG1-N 2.04Å; T41-L45 PolarHBondContact O-N 2.83Å
42P93.3Very high88Confident91 Ų9182.9 Ų82.959%0.59148%0.48SS*.Hα-helixtrans-60.2-31.717822.8-32.1000112.7R44 L45 S46P42-R44 VanDerWaalsContact C-N 3.28Å; P42-R44 PolarHBondContact O-N 3.11Å; P42-L45 PolarHBondContact O-N 3.25Å; P42-S46 PolarHBondContact O-N 3.41Å; P42-S46 PolarHBondContact O-OG 2.78Å
43E92Very high89.3Confident115 Ų11586.4 Ų86.454%0.53750%0.502SS..Hα-helixtrans-65.2-31.7176.2-56.473-157.300112.2T41 S46 Q47T41-E43 WeakPolarHBondContact CB-OE2 3.34Å; T41-E43 PolarHBondContact O-N 2.79Å; T41-E43 PolarHBondContact OG1-OE2 3.1Å; E43-S46 PolarHBondContact O-OG 2.92Å; E43-Q47 WeakPolarHBondContact O-CG 3.29Å; E43-Q47 PolarHBondContact O-NE2 3.4Å
44R89.3Confident90.3Very high102 Ų10284.8 Ų84.839%0.38552%0.517SS..Hα-helixtrans-74.7-43175.5-75.6-70.9-179.6176.5-1.3111.7T41 P42 S46 Q47T41-R44 WeakPolarHBondContact O-CB 3.31Å; T41-R44 PolarHBondContact O-N 3.22Å; T41-R44 PolarHBondContact OG1-N 2.04Å; P42-R44 VanDerWaalsContact C-N 3.28Å; P42-R44 PolarHBondContact O-N 3.11Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 2.97Å; R44-Q47 PolarHBondContact O-N 3.31Å
45L92.9Very high90.9Very high88 Ų8882.9 Ų82.946%0.46151%0.505SS..Hα-helixtrans-63.3-35.6179.3-67.3170.2000111.6C40 T41 P42 Q47 C48 C66C40-L45 HydrophobicContact CB-CD1 4.22Å; C40-L45 HydrophobicContact CB-CD2 4.1Å; C40-L45 HydrophobicContact CB-CG 4.06Å; T41-L45 PolarHBondContact O-N 2.83Å; P42-L45 PolarHBondContact O-N 3.25Å; L45-Q47 PolarHBondContact O-N 3.27Å; L45-C48 WeakPolarHBondContact O-CB 3.22Å; L45-C48 PolarHBondContact O-N 3.15Å; L45-C66 HydrophobicContact CD2-CB 4.35Å; L45-C66 WeakPolarHBondContact CD2-O 3.34Å
46S92.9Very high91.3Very high97 Ų9783.2 Ų83.268%0.67852%0.522SS*.THydrogen-bonded Turntrans-70.8-17.3177.566.40000114.3P42 E43 R44P42-S46 PolarHBondContact O-N 3.41Å; P42-S46 PolarHBondContact O-OG 2.78Å; E43-S46 PolarHBondContact O-OG 2.92Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 2.97Å
47Q94.3Very high91.6Very high134 Ų13478.5 Ų78.563%0.62651%0.506SS*.THydrogen-bonded Turntrans-92-2177.2-67.5168.830.900113.1E43 R44 L45E43-Q47 WeakPolarHBondContact O-CG 3.29Å; E43-Q47 PolarHBondContact O-NE2 3.4Å; R44-Q47 PolarHBondContact O-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.27Å
48C94.6Very high91.8Very high36 Ų3678.8 Ų78.824%0.24351%0.506CS..PPolyproline II helixtrans-67.8137.2-176.6-730000111.9L45 C67L45-C48 WeakPolarHBondContact O-CB 3.22Å; L45-C48 PolarHBondContact O-N 3.15Å; C48-C67 WeakPolarHBondContact CA-SG 3.37Å; C48-C67 HydrophobicContact CB-CB 3.64Å; C48-C67 WeakPolarHBondContact CB-SG 2.96Å; C48-C67 WeakPolarHBondContact SG-CA 3.38Å; C48-C67 WeakPolarHBondContact SG-CB 3.13Å; C48-C67 CovalentContact SG-SG 2.04Å; C48-C67 PolarHBondContact SG-SG 2.77Å
49P93.3Very high92Very high93 Ų9380.4 Ų80.460%0.60451%0.512SS*.PPolyproline II helixtrans-65.2148.9174.228.8-34.2000110.5
50A91.6Very high92.1Very high100 Ų10081.1 Ų81.183%0.82650%0.503SS*.PPolyproline II helixtrans-65.7137173.100000110.4
51V92.4Very high92.2Very high47 Ų4782.6 Ų82.629%0.28551%0.506SS..PPolyproline II helixtrans-68.7139.2174.3-176.50000109.2C55 V58 L68 C70V51-C55 HydrophobicContact CG1-CB 3.96Å; V51-V58 HydrophobicContact CG1-CG1 4.45Å; V51-V58 HydrophobicContact CG1-CG2 4.18Å; V51-V58 HydrophobicContact CG2-CG1 4.01Å; V51-L68 HydrophobicContact CG2-CB 3.65Å; V51-C70 WeakPolarHBondContact CG1-SG 3.22Å
52A87.9Confident92.2Very high64 Ų6481.8 Ų81.853%0.52950%0.502SS..PPolyproline II helixtrans-57.4141-178.300000111.9
53P87.1Confident92.1Very high135 Ų13580.9 Ų80.988%0.87751%0.509SS*.THydrogen-bonded Turntrans-64.5141.7177.228-34.1000110.5
54G87Confident92.1Very high85 Ų8576.3 Ų76.388%0.87649%0.49SS*.THydrogen-bonded Turntrans8811.4-178.600000114.9A56G54-A56 PolarHBondContact O-N 3.46Å
55C91.5Very high92.2Very high34 Ų3471.9 Ų71.923%0.2348%0.475CS..  trans-63118.7170.1-154.30000111V51 E57 V58 C70V51-C55 HydrophobicContact CG1-CB 3.96Å; C55-E57 PolarHBondContact SG-O 3.46Å; C55-V58 HydrophobicContact CB-CG2 4.04Å; C55-C70 HydrophobicContact CB-CB 4.39Å; C55-C70 WeakPolarHBondContact CB-SG 3.41Å; C55-C70 WeakPolarHBondContact SG-CA 3.43Å; C55-C70 WeakPolarHBondContact SG-CB 2.95Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 2.9Å
56A91.4Very high92.3Very high101 Ų10168.5 Ų68.584%0.83546%0.459SS*.SBendtrans-70.3-37.3179.400000112.1G54G54-A56 PolarHBondContact O-N 3.46Å
57E95.1Very high92.3Very high55 Ų5564.9 Ų64.926%0.25743%0.433SS..  trans-144.1131.9179.8-178.3-179-178.600109.3C55 L59 A71 G86 S87C55-E57 PolarHBondContact SG-O 3.46Å; E57-L59 HydrophobicContact CG-CD2 4.37Å; E57-L59 HydrophobicContact CG-CG 4.16Å; E57-A71 HydrophobicContact CB-CB 3.92Å; E57-A71 HydrophobicContact CG-CB 4.06Å; E57-A71 WeakPolarHBondContact O-CB 3.41Å; E57-A71 PolarHBondContact O-N 3.46Å; E57-G86 WeakPolarHBondContact OE2-CA 3.44Å; E57-S87 VanDerWaalsContact CD-N 3.34Å; E57-S87 WeakPolarHBondContact OE1-CB 3.02Å; E57-S87 PolarHBondContact OE1-N 3.04Å; E57-S87 VanDerWaalsContact OE1-N 3.11Å; E57-S87 PolarHBondContact OE1-OG 3.47Å; E57-S87 PolarHBondContact OE2-N 2.03Å
58V95.6Very high92.3Very high67 Ų6763 Ų6341%0.40643%0.427SS..EExtended strand (participates in β ladder)trans-110.3120.6-177.9-177.10000108.2V51 C55 L68V51-V58 HydrophobicContact CG1-CG1 4.45Å; V51-V58 HydrophobicContact CG1-CG2 4.18Å; V51-V58 HydrophobicContact CG2-CG1 4.01Å; C55-V58 HydrophobicContact CB-CG2 4.04Å; V58-L68 HydrophobicContact CG1-CB 3.65Å; V58-L68 HydrophobicContact CG1-CD1 3.89Å; V58-L68 HydrophobicContact CG1-CD2 4.34Å; V58-L68 HydrophobicContact CG1-CG 4.17Å
59L95.3Very high92.3Very high52 Ų5262.2 Ų62.227%0.27242%0.423SS..EExtended strand (participates in β ladder)trans-123.5166.4-179.2-68177.2000110.2E57 L68 A69 A71 P84 C85E57-L59 HydrophobicContact CG-CD2 4.37Å; E57-L59 HydrophobicContact CG-CG 4.16Å; L59-L68 CarbonylContact O-C 3.51Å; L59-L68 WeakPolarHBondContact O-CA 2.97Å; L59-A69 PolarHBondContact N-O 2.95Å; L59-A69 PolarHBondContact O-N 2.93Å; L59-A69 VanDerWaalsContact O-O 3.09Å; L59-A71 HydrophobicContact CD1-CB 3.69Å; L59-A71 HydrophobicContact CG-CB 4.08Å; L59-P84 HydrophobicContact CB-CB 4.43Å; L59-P84 HydrophobicContact CB-CG 3.5Å; L59-P84 HydrophobicContact CD1-CB 4.01Å; L59-P84 HydrophobicContact CD1-CG 3.82Å; L59-P84 HydrophobicContact CG-CG 4.3Å; L59-C85 WeakPolarHBondContact CD1-O 3.15Å
60R93.4Very high92.4Very high107 Ų10759.8 Ų59.840%0.40441%0.408SS..EExtended strand (participates in β ladder)trans-72.6145174.4-171.2161.5163.396.90.4110.6C40 G65 C66C40-R60 PolarHBondContact SG-NH1 2.94Å; C40-R60 PolarHBondContact SG-NH2 3.06Å; R60-G65 PolarHBondContact NE-O 3.34Å; R60-G65 PolarHBondContact NH2-O 3.39Å; R60-C66 VanDerWaalsContact NH1-CA 3.33Å; R60-C66 PolarHBondContact NH1-O 2.95Å
61E93.3Very high92.7Very high66 Ų6655.9 Ų55.931%0.30838%0.376SS..PPolyproline II helixtrans-52.7152.8174.1-78.3178.2152.700112.8C67 A69E61-C67 HydrophobicContact CG-CB 4.34Å; E61-C67 WeakPolarHBondContact CG-O 3.3Å; E61-C67 PolarHBondContact N-O 3.22Å; E61-C67 WeakPolarHBondContact OE2-CB 3.48Å; E61-C67 PolarHBondContact OE2-N 3.37Å; E61-A69 HydrophobicContact CG-CB 4.11Å
62P91.9Very high92.9Very high49 Ų4955.1 Ų55.132%0.31837%0.37SS..SBendtrans-62157178.830.7-40.8000112.8C64 G65 T82P62-C64 PolarHBondContact O-N 2.79Å; P62-G65 PolarHBondContact O-N 3.11Å; P62-T82 WeakPolarHBondContact CG-O 3.37Å
63G91.4Very high93.3Very high71 Ų7158.8 Ų58.873%0.73237%0.374SS*.THydrogen-bonded Turntrans65.9-125.6178.100000112.1
64C92.4Very high93.7Very high20 Ų2055.7 Ų55.714%0.13536%0.36CS..THydrogen-bonded Turntrans-103.116.7179.5-60.50000113.3C37 P62 L225 G227C37-C64 VanDerWaalsContact CA-SG 3.56Å; C37-C64 HydrophobicContact CB-CB 3.65Å; C37-C64 WeakPolarHBondContact CB-SG 3.06Å; C37-C64 WeakPolarHBondContact SG-CA 3.04Å; C37-C64 WeakPolarHBondContact SG-CB 3.35Å; C37-C64 CovalentContact SG-SG 2.04Å; C37-C64 PolarHBondContact SG-SG 2.6Å; P62-C64 PolarHBondContact O-N 2.79Å; C64-L225 VanDerWaalsContact CB-O 3.23Å; C64-L225 WeakPolarHBondContact CB-O 3.05Å; C64-L225 PolarHBondContact SG-O 2.91Å; C64-L225 VanDerWaalsContact SG-O 3.32Å; C64-G227 WeakPolarHBondContact O-CA 3.41Å; C64-G227 PolarHBondContact O-N 3.33Å
65G91.5Very high94.1Very high8 Ų854.3 Ų54.38%0.08235%0.346CS..  trans-60.1137.8179.700000112.3R60 P62R60-G65 PolarHBondContact NE-O 3.34Å; R60-G65 PolarHBondContact NH2-O 3.39Å; P62-G65 PolarHBondContact O-N 3.11Å
66C94Very high94.4Very high18 Ų1856.3 Ų56.312%0.12235%0.352CS..  trans-87.6-18.8-177.3-79.40000114.4C40 L45 R60C40-C66 VanDerWaalsContact CA-SG 3.55Å; C40-C66 HydrophobicContact CB-CB 4.01Å; C40-C66 WeakPolarHBondContact CB-SG 3.28Å; C40-C66 WeakPolarHBondContact SG-CA 3.29Å; C40-C66 WeakPolarHBondContact SG-CB 3.38Å; C40-C66 CovalentContact SG-SG 2.04Å; C40-C66 PolarHBondContact SG-SG 2.79Å; L45-C66 HydrophobicContact CD2-CB 4.35Å; L45-C66 WeakPolarHBondContact CD2-O 3.34Å; R60-C66 VanDerWaalsContact NH1-CA 3.33Å; R60-C66 PolarHBondContact NH1-O 2.95Å
67C94.1Very high94.7Very high20 Ų2056.2 Ų56.214%0.13534%0.337CS..SBendtrans-93.3176.7-171.4-55.50000111.8C48 E61C48-C67 WeakPolarHBondContact CA-SG 3.37Å; C48-C67 HydrophobicContact CB-CB 3.64Å; C48-C67 WeakPolarHBondContact CB-SG 2.96Å; C48-C67 WeakPolarHBondContact SG-CA 3.38Å; C48-C67 WeakPolarHBondContact SG-CB 3.13Å; C48-C67 CovalentContact SG-SG 2.04Å; C48-C67 PolarHBondContact SG-SG 2.77Å; E61-C67 HydrophobicContact CG-CB 4.34Å; E61-C67 WeakPolarHBondContact CG-O 3.3Å; E61-C67 PolarHBondContact N-O 3.22Å; E61-C67 WeakPolarHBondContact OE2-CB 3.48Å; E61-C67 PolarHBondContact OE2-N 3.37Å
68L94.4Very high94.9Very high94 Ų9453.7 Ų53.749%0.49233%0.325SS..EExtended strand (participates in β ladder)trans-102.2143.8179.5-61.7177000109.6V51 V58 L59V51-L68 HydrophobicContact CG2-CB 3.65Å; V58-L68 HydrophobicContact CG1-CB 3.65Å; V58-L68 HydrophobicContact CG1-CD1 3.89Å; V58-L68 HydrophobicContact CG1-CD2 4.34Å; V58-L68 HydrophobicContact CG1-CG 4.17Å; L59-L68 CarbonylContact O-C 3.51Å; L59-L68 WeakPolarHBondContact O-CA 2.97Å
69A94.1Very high94.9Very high20 Ų2051 Ų5117%0.16531%0.311CS..EExtended strand (participates in β ladder)trans-131.9154.4176.800000110.1L59 E61 A83L59-A69 PolarHBondContact N-O 2.95Å; L59-A69 PolarHBondContact O-N 2.93Å; L59-A69 VanDerWaalsContact O-O 3.09Å; E61-A69 HydrophobicContact CG-CB 4.11Å; A69-A83 HydrophobicContact CB-CB 4.48Å
70C95.8Very high94.9Very high43 Ų4352.7 Ų52.729%0.29132%0.32SS..EExtended strand (participates in β ladder)trans-70.6134.3171.5-77.70000111.4V51 C55 A83V51-C70 WeakPolarHBondContact CG1-SG 3.22Å; C55-C70 HydrophobicContact CB-CB 4.39Å; C55-C70 WeakPolarHBondContact CB-SG 3.41Å; C55-C70 WeakPolarHBondContact SG-CA 3.43Å; C55-C70 WeakPolarHBondContact SG-CB 2.95Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 2.9Å; C70-A83 WeakPolarHBondContact O-CB 2.99Å
71A96.5Very high94.8Very high18 Ų1856.4 Ų56.415%0.14934%0.335CS..PPolyproline II helixtrans-70.5140.5175.900000111.4E57 L59 P84E57-A71 HydrophobicContact CB-CB 3.92Å; E57-A71 HydrophobicContact CG-CB 4.06Å; E57-A71 WeakPolarHBondContact O-CB 3.41Å; E57-A71 PolarHBondContact O-N 3.46Å; L59-A71 HydrophobicContact CD1-CB 3.69Å; L59-A71 HydrophobicContact CG-CB 4.08Å; A71-P84 CarbonylContact C-O 3.51Å; A71-P84 VanDerWaalsContact CA-O 3.28Å; A71-P84 WeakPolarHBondContact CA-O 3.36Å
72L96.4Very high94.9Very high31 Ų3155.1 Ų55.116%0.16233%0.332CS..BIsolated β-bridgetrans-76.4143.6175.5-61.7176.8000111.2E76 L77 C78 A83 P84 G86 C111L72-E76 WeakPolarHBondContact CA-OE2 3.39Å; L72-E76 HydrophobicContact CB-CB 4.25Å; L72-E76 WeakPolarHBondContact CB-OE2 3.37Å; L72-E76 WeakPolarHBondContact CD2-OE2 3.33Å; L72-L77 WeakPolarHBondContact CD1-O 3.4Å; L72-C78 HydrophobicContact CD1-CB 3.68Å; L72-A83 HydrophobicContact CD1-CB 4.42Å; L72-A83 WeakPolarHBondContact CD1-O 3.48Å; L72-A83 HydrophobicContact CD2-CB 4.12Å; L72-A83 HydrophobicContact CG-CB 3.96Å; L72-P84 PolarHBondContact N-O 3.24Å; L72-G86 PolarHBondContact O-N 3.31Å; L72-C111 VanDerWaalsContact CB-SG 3.56Å
73K96.3Very high95.1Very high141 Ų14154.3 Ų54.361%0.61333%0.329SS*.PPolyproline II helixtrans-83.9164.8179.7-62.4173.4-175.7171.30111.5G75 E76 C111K73-G75 PolarHBondContact O-N 2.88Å; K73-E76 HydrophobicContact CB-CG 4.16Å; K73-E76 PolarHBondContact N-OE2 2.73Å; K73-E76 WeakPolarHBondContact O-CB 3.49Å; K73-E76 PolarHBondContact O-N 3.34Å; K73-E76 VanDerWaalsContact O-N 3.12Å; K73-C111 WeakPolarHBondContact O-CB 3.33Å
74A96.6Very high95.3Very high69 Ų6952.6 Ų52.657%0.5731%0.305SS*.THydrogen-bonded Turntrans-55.3132.3174.400000111E76 L89A74-E76 VanDerWaalsContact C-N 3.3Å; A74-E76 PolarHBondContact O-N 3.2Å; A74-L89 HydrophobicContact CB-CD1 4.07Å; A74-L89 HydrophobicContact CB-CD2 3.95Å; A74-L89 VanDerWaalsContact N-CD1 3.35Å
75G96Very high95.5Very high56 Ų5652.5 Ų52.558%0.57730%0.304SS*.THydrogen-bonded Turntrans83.4-10.2-178.800000115.8K73 C111K73-G75 PolarHBondContact O-N 2.88Å; G75-C111 PolarHBondContact N-O 3.4Å
76E97.4Very high95.7Very high77 Ų7752.4 Ų52.436%0.3630%0.304SS..  trans-70.3152.4175.3-69.5-174.1156.900111.9L72 K73 A74 V110 C111L72-E76 WeakPolarHBondContact CA-OE2 3.39Å; L72-E76 HydrophobicContact CB-CB 4.25Å; L72-E76 WeakPolarHBondContact CB-OE2 3.37Å; L72-E76 WeakPolarHBondContact CD2-OE2 3.33Å; K73-E76 HydrophobicContact CB-CG 4.16Å; K73-E76 PolarHBondContact N-OE2 2.73Å; K73-E76 WeakPolarHBondContact O-CB 3.49Å; K73-E76 PolarHBondContact O-N 3.34Å; K73-E76 VanDerWaalsContact O-N 3.12Å; A74-E76 VanDerWaalsContact C-N 3.3Å; A74-E76 PolarHBondContact O-N 3.2Å; E76-V110 WeakPolarHBondContact O-CA 3.38Å; E76-C111 PolarHBondContact O-N 2.87Å
77L97.9Very high95.8Very high99 Ų9956.2 Ų56.252%0.51833%0.33SS..EExtended strand (participates in β ladder)trans-71.5130.7178.2-69.5-179.6000110.7L72 A109 V110L72-L77 WeakPolarHBondContact CD1-O 3.4Å; L77-A109 CarbonylContact C-O 3.56Å; L77-A109 VanDerWaalsContact CA-O 3.3Å; L77-A109 WeakPolarHBondContact CA-O 3.13Å; L77-V110 HydrophobicContact CD2-CG1 4.13Å
78C97.7Very high95.8Very high1 Ų158 Ų581%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-139166.8-176.3690000111.6L72 T82 C91 G107 Q108 A109 V110L72-C78 HydrophobicContact CD1-CB 3.68Å; C78-T82 WeakPolarHBondContact CA-OG1 3.01Å; C78-C91 HydrophobicContact CB-CB 3.9Å; C78-C91 WeakPolarHBondContact CB-SG 3.21Å; C78-C91 WeakPolarHBondContact SG-CA 3.34Å; C78-C91 WeakPolarHBondContact SG-CB 3.02Å; C78-C91 CovalentContact SG-SG 2.03Å; C78-C91 PolarHBondContact SG-SG 3.04Å; C78-G107 CarbonylContact O-C 3.07Å; C78-G107 VanDerWaalsContact O-CA 3.22Å; C78-G107 WeakPolarHBondContact O-CA 3.46Å; C78-Q108 PolarHBondContact O-N 3.32Å; C78-A109 PolarHBondContact N-O 3.18Å; C78-A109 WeakPolarHBondContact O-CB 3.33Å; C78-A109 PolarHBondContact O-N 2.95Å; C78-A109 VanDerWaalsContact O-N 3.08Å; C78-A109 VanDerWaalsContact SG-C 3.55Å; C78-V110 PolarHBondContact SG-N 2.9Å
79G96.8Very high95.9Very high12 Ų1255.2 Ų55.212%0.12434%0.337CS..  trans-172.9-172.4177.200000112.8Y81 T82 C91 L104G79-Y81 VanDerWaalsContact C-N 3.25Å; G79-Y81 PolarHBondContact O-N 2.97Å; G79-T82 PolarHBondContact N-OG1 3.24Å; G79-T82 PolarHBondContact O-N 2.9Å; G79-T82 PolarHBondContact O-OG1 2.05Å; G79-T82 VanDerWaalsContact O-OG1 3.1Å; G79-C91 PolarHBondContact N-SG 2.04Å; G79-C91 VanDerWaalsContact N-SG 3.37Å; G79-L104 CarbonylContact C-O 3.45Å; G79-L104 WeakPolarHBondContact CA-O 3.15Å
80I94.7Very high96Very high87 Ų8760.2 Ų60.245%0.44635%0.352SS..THydrogen-bonded Turntrans-65.5-31.4-176.5-59.6176.5000111.8L104 T105I80-L104 HydrophobicContact CD1-CB 4.29Å; I80-L104 HydrophobicContact CG1-CB 4.13Å; I80-L104 PolarHBondContact N-O 3.49Å; I80-T105 HydrophobicContact CD1-CG2 3.74Å
81Y92.2Very high96.1Very high185 Ų18560.1 Ų60.173%0.72535%0.351SS*.THydrogen-bonded Turntrans-108.811.3-177.2-54.6-67.1000113.3G79G79-Y81 VanDerWaalsContact C-N 3.25Å; G79-Y81 PolarHBondContact O-N 2.97Å
82T95Very high96.1Very high39 Ų3960.6 Ų60.624%0.23935%0.352CS..SBendtrans-96.9171.2177.570.50000110.7P62 C78 G79P62-T82 WeakPolarHBondContact CG-O 3.37Å; C78-T82 WeakPolarHBondContact CA-OG1 3.01Å; G79-T82 PolarHBondContact N-OG1 3.24Å; G79-T82 PolarHBondContact O-N 2.9Å; G79-T82 PolarHBondContact O-OG1 2.05Å; G79-T82 VanDerWaalsContact O-OG1 3.1Å
83A95.1Very high96.1Very high32 Ų3260.8 Ų60.826%0.26436%0.355SS..PPolyproline II helixtrans-53.2148.6166.200000111.5A69 C70 L72A69-A83 HydrophobicContact CB-CB 4.48Å; C70-A83 WeakPolarHBondContact O-CB 2.99Å; L72-A83 HydrophobicContact CD1-CB 4.42Å; L72-A83 WeakPolarHBondContact CD1-O 3.48Å; L72-A83 HydrophobicContact CD2-CB 4.12Å; L72-A83 HydrophobicContact CG-CB 3.96Å
84P96.1Very high96Very high35 Ų3560.5 Ų60.523%0.22735%0.351CS..PPolyproline II helixtrans-69.9151-179.830.1-36.6000111.3L59 A71 L72L59-P84 HydrophobicContact CB-CB 4.43Å; L59-P84 HydrophobicContact CB-CG 3.5Å; L59-P84 HydrophobicContact CD1-CB 4.01Å; L59-P84 HydrophobicContact CD1-CG 3.82Å; L59-P84 HydrophobicContact CG-CG 4.3Å; A71-P84 CarbonylContact C-O 3.51Å; A71-P84 VanDerWaalsContact CA-O 3.28Å; A71-P84 WeakPolarHBondContact CA-O 3.36Å; L72-P84 PolarHBondContact N-O 3.24Å
85C97Very high95.9Very high17 Ų1763.8 Ų63.812%0.11537%0.366CS..BIsolated β-bridgetrans-69.6149.3168.3-57.30000110.5L59 L89 C111L59-C85 WeakPolarHBondContact CD1-O 3.15Å; C85-L89 HydrophobicContact CB-CB 3.69Å; C85-C111 HydrophobicContact CB-CB 3.78Å; C85-C111 WeakPolarHBondContact CB-SG 3.45Å; C85-C111 WeakPolarHBondContact SG-CA 3.39Å; C85-C111 WeakPolarHBondContact SG-CB 3.33Å; C85-C111 CovalentContact SG-SG 2.04Å; C85-C111 PolarHBondContact SG-SG 2.77Å
86G96.1Very high95.7Very high7 Ų765.1 Ų65.17%0.07238%0.379CS..PPolyproline II helixtrans-65.8173.3177.100000114.5E57 L72 G88 L89E57-G86 WeakPolarHBondContact OE2-CA 3.44Å; L72-G86 PolarHBondContact O-N 3.31Å; G86-G88 PolarHBondContact O-N 2.81Å; G86-L89 VanDerWaalsContact O-CB 3.29Å; G86-L89 WeakPolarHBondContact O-CB 3.41Å; G86-L89 PolarHBondContact O-N 2.85Å
87S94.7Very high95.6Very high98 Ų9863.1 Ų63.169%0.68537%0.371SS*.THydrogen-bonded Turntrans-50.8131.1179.9-77.10000112.3E57 L89E57-S87 VanDerWaalsContact CD-N 3.34Å; E57-S87 WeakPolarHBondContact OE1-CB 3.02Å; E57-S87 PolarHBondContact OE1-N 3.04Å; E57-S87 VanDerWaalsContact OE1-N 3.11Å; E57-S87 PolarHBondContact OE1-OG 3.47Å; E57-S87 PolarHBondContact OE2-N 2.03Å; S87-L89 VanDerWaalsContact C-N 3.25Å; S87-L89 PolarHBondContact O-N 3.1Å
88G94.7Very high95.5Very high57 Ų5764.1 Ų64.159%0.58838%0.384SS*.THydrogen-bonded Turntrans80.3-3.8-177.300000114.9G86 S114G86-G88 PolarHBondContact O-N 2.81Å; G88-S114 WeakPolarHBondContact O-CB 3.07Å; G88-S114 PolarHBondContact O-N 3.47Å; G88-S114 PolarHBondContact O-OG 2.94Å
89L96.4Very high95.4Very high35 Ų3571.7 Ų71.718%0.18341%0.412CS..EExtended strand (participates in β ladder)trans-107.5150.1178.6-55.6173.2000111.4A74 C85 G86 S87 C111 T112 E113A74-L89 HydrophobicContact CB-CD1 4.07Å; A74-L89 HydrophobicContact CB-CD2 3.95Å; A74-L89 VanDerWaalsContact N-CD1 3.35Å; C85-L89 HydrophobicContact CB-CB 3.69Å; G86-L89 VanDerWaalsContact O-CB 3.29Å; G86-L89 WeakPolarHBondContact O-CB 3.41Å; G86-L89 PolarHBondContact O-N 2.85Å; S87-L89 VanDerWaalsContact C-N 3.25Å; S87-L89 PolarHBondContact O-N 3.1Å; L89-C111 HydrophobicContact CB-CB 4.36Å; L89-C111 HydrophobicContact CD1-CB 4.24Å; L89-T112 CarbonylContact C-O 3.53Å; L89-T112 VanDerWaalsContact CA-O 3.31Å; L89-T112 WeakPolarHBondContact CA-O 3.48Å; L89-E113 HydrophobicContact CD2-CG 4.12Å
90R96.2Very high95.4Very high126 Ų12674 Ų7448%0.47543%0.425SS..EExtended strand (participates in β ladder)trans-129.6142.5173.355.7176.2-150.9-16111.6110T92 T112 S114R90-T92 HydrophobicContact CB-CG2 4.49Å; R90-T92 HydrophobicContact CG-CG2 3.76Å; R90-T92 VanDerWaalsContact NE-CG2 3.26Å; R90-T92 PolarHBondContact O-N 3.41Å; R90-T112 PolarHBondContact N-O 3.32Å; R90-T112 PolarHBondContact O-N 2.79Å; R90-T112 PolarHBondContact O-OG1 3.31Å; R90-S114 WeakPolarHBondContact CB-OG 3.38Å; R90-S114 WeakPolarHBondContact CG-OG 3.41Å
91C97.3Very high95.5Very high41 Ų4176.3 Ų76.328%0.27744%0.438SS..EExtended strand (participates in β ladder)trans-76.8109175.7-172.60000109.8C78 G79 A109C78-C91 HydrophobicContact CB-CB 3.9Å; C78-C91 WeakPolarHBondContact CB-SG 3.21Å; C78-C91 WeakPolarHBondContact SG-CA 3.34Å; C78-C91 WeakPolarHBondContact SG-CB 3.02Å; C78-C91 CovalentContact SG-SG 2.03Å; C78-C91 PolarHBondContact SG-SG 3.04Å; G79-C91 PolarHBondContact N-SG 2.04Å; G79-C91 VanDerWaalsContact N-SG 3.37Å; C91-A109 VanDerWaalsContact SG-CB 3.59Å
92T97.1Very high95.6Very high27 Ų2770.8 Ų70.817%0.16642%0.418CS..EExtended strand (participates in β ladder)trans-124.2141.9-178.760.90000112.9R90 A109 V110 T112R90-T92 HydrophobicContact CB-CG2 4.49Å; R90-T92 HydrophobicContact CG-CG2 3.76Å; R90-T92 VanDerWaalsContact NE-CG2 3.26Å; R90-T92 PolarHBondContact O-N 3.41Å; T92-A109 VanDerWaalsContact O-CB 3.32Å; T92-A109 WeakPolarHBondContact O-CB 3.4Å; T92-V110 PolarHBondContact N-O 3.48Å; T92-V110 PolarHBondContact O-N 3.02Å; T92-T112 VanDerWaalsContact OG1-CG2 3.27Å; T92-T112 WeakPolarHBondContact OG1-CG2 3.3Å; T92-T112 PolarHBondContact OG1-OG1 3.02Å
93P97.1Very high95.7Very high35 Ų3569.4 Ų69.423%0.22741%0.41CS..PPolyproline II helixtrans-56.4151.9166-22.533.8000111.1D97 P100 L104P93-D97 HydrophobicContact CB-CB 4.33Å; P93-P100 HydrophobicContact CB-CB 3.88Å; P93-P100 HydrophobicContact CG-CB 3.69Å; P93-L104 HydrophobicContact CG-CD1 3.82Å; P93-L104 HydrophobicContact CG-CG 3.91Å
94R94.9Very high95.8Very high136 Ų13669.4 Ų69.451%0.51341%0.405SS..PPolyproline II helixtrans-64.6145.8177.7-65.2175.1-173.5-93-2.2110.2G96 D97 V110R94-G96 PolarHBondContact O-N 3.35Å; R94-D97 VanDerWaalsContact O-CB 3.24Å; R94-D97 WeakPolarHBondContact O-CB 3.09Å; R94-D97 PolarHBondContact O-N 3.18Å; R94-D97 VanDerWaalsContact O-N 3.08Å; R94-V110 HydrophobicContact CG-CG2 4.22Å
95P93.1Very high95.7Very high138 Ų13870.7 Ų70.790%0.89641%0.412SS*.THydrogen-bonded Turntrans-54.3130.5173.5-25.334.3000111.2
96G93Very high95.7Very high83 Ų8377.9 Ų77.986%0.85644%0.437SS*.THydrogen-bonded Turntrans799.8-178.700000115.6R94 P98R94-G96 PolarHBondContact O-N 3.35Å; G96-P98 WeakPolarHBondContact O-CD 3.01Å
97D94.5Very high95.7Very high36 Ų3678.2 Ų78.219%0.19344%0.441CS..  trans-61.9121.6176.2-171.8-24.5000111.3P93 R94 R99 P100 S103P93-D97 HydrophobicContact CB-CB 4.33Å; R94-D97 VanDerWaalsContact O-CB 3.24Å; R94-D97 WeakPolarHBondContact O-CB 3.09Å; R94-D97 PolarHBondContact O-N 3.18Å; R94-D97 VanDerWaalsContact O-N 3.08Å; D97-R99 PolarHBondContact O-N 3.34Å; D97-R99 PolarHBondContact OD1-N 3.01Å; D97-P100 WeakPolarHBondContact O-CD 3.33Å; D97-P100 WeakPolarHBondContact O-CG 3.48Å; D97-S103 WeakPolarHBondContact OD2-CB 3.42Å; D97-S103 PolarHBondContact OD2-OG 3.17Å
98P95.8Very high95.9Very high120 Ų12078.4 Ų78.478%0.77943%0.431SS*.SBendtrans-70.4-16-179.129.8-36.8000113.3G96G96-P98 WeakPolarHBondContact O-CD 3.01Å
99R95.9Very high96Very high160 Ų16075.7 Ų75.760%0.60440%0.403SS*.  trans-137.567.8-179.7-60.8-176.2-65.4-174-0.6111.9D97 L101 H102 S103D97-R99 PolarHBondContact O-N 3.34Å; D97-R99 PolarHBondContact OD1-N 3.01Å; R99-L101 PolarHBondContact O-N 2.91Å; R99-H102 HydrophobicContact CB-CB 3.73Å; R99-H102 WeakPolarHBondContact O-CA 3.09Å; R99-H102 WeakPolarHBondContact O-CB 3.49Å; R99-H102 PolarHBondContact O-N 3.21Å; R99-S103 PolarHBondContact O-N 3.06Å; R99-S103 VanDerWaalsContact O-N 3.11Å; R99-S103 PolarHBondContact O-OG 2.89Å
100P96.3Very high96Very high61 Ų6174.7 Ų74.740%0.39640%0.399SS..Hα-helixtrans-56.1-43.7-171.8-25.935.2000114.4P93 D97 H102 S103 L104P93-P100 HydrophobicContact CB-CB 3.88Å; P93-P100 HydrophobicContact CG-CB 3.69Å; D97-P100 WeakPolarHBondContact O-CD 3.33Å; D97-P100 WeakPolarHBondContact O-CG 3.48Å; P100-H102 VanDerWaalsContact C-N 3.32Å; P100-H102 PolarHBondContact O-N 3.27Å; P100-S103 PolarHBondContact O-N 2.94Å; P100-L104 PolarHBondContact O-N 2.94Å; P100-L104 VanDerWaalsContact O-N 3.15Å
101L96.3Very high96.1Very high135 Ų13568.9 Ų68.971%0.70738%0.377SS*.Hα-helixtrans-68-32.2178.3-62.8178.7000112.6R99 T105R99-L101 PolarHBondContact O-N 2.91Å; L101-T105 WeakPolarHBondContact O-CG2 3.5Å; L101-T105 PolarHBondContact O-N 3.05Å; L101-T105 PolarHBondContact O-OG1 2.99Å
102H95.1Very high96.1Very high69 Ų6969 Ų6932%0.31938%0.377SS..Hα-helixtrans-67.9-43.2176.6-170.278000110.6R99 P100 L104 T105 R106R99-H102 HydrophobicContact CB-CB 3.73Å; R99-H102 WeakPolarHBondContact O-CA 3.09Å; R99-H102 WeakPolarHBondContact O-CB 3.49Å; R99-H102 PolarHBondContact O-N 3.21Å; P100-H102 VanDerWaalsContact C-N 3.32Å; P100-H102 PolarHBondContact O-N 3.27Å; H102-L104 PolarHBondContact O-N 2.81Å; H102-T105 WeakPolarHBondContact CA-OG1 3.24Å; H102-T105 PolarHBondContact O-N 2.88Å; H102-T105 PolarHBondContact O-OG1 3.22Å; H102-R106 WeakPolarHBondContact O-CB 3.39Å; H102-R106 VanDerWaalsContact O-CG 3.29Å; H102-R106 WeakPolarHBondContact O-CG 3.34Å; H102-R106 PolarHBondContact O-N 2.9Å
103S96.5Very high96Very high9 Ų975.5 Ų75.56%0.06341%0.405CS..Hα-helixtrans-64-40.7178.8-58.40000112D97 R99 P100 R106 G107 Q108D97-S103 WeakPolarHBondContact OD2-CB 3.42Å; D97-S103 PolarHBondContact OD2-OG 3.17Å; R99-S103 PolarHBondContact O-N 3.06Å; R99-S103 VanDerWaalsContact O-N 3.11Å; R99-S103 PolarHBondContact O-OG 2.89Å; P100-S103 PolarHBondContact O-N 2.94Å; S103-R106 PolarHBondContact O-N 2.84Å; S103-G107 PolarHBondContact O-N 3.13Å; S103-G107 VanDerWaalsContact O-N 3.13Å; S103-Q108 PolarHBondContact O-N 2.95Å
104L97Very high95.4Very high32 Ų3276.4 Ų76.417%0.16841%0.412CS..Hα-helixtrans-62.7-43.8173.6-76.5163.5000112.8G79 I80 P93 P100 H102 R106 G107 A109G79-L104 CarbonylContact C-O 3.45Å; G79-L104 WeakPolarHBondContact CA-O 3.15Å; I80-L104 HydrophobicContact CD1-CB 4.29Å; I80-L104 HydrophobicContact CG1-CB 4.13Å; I80-L104 PolarHBondContact N-O 3.49Å; P93-L104 HydrophobicContact CG-CD1 3.82Å; P93-L104 HydrophobicContact CG-CG 3.91Å; P100-L104 PolarHBondContact O-N 2.94Å; P100-L104 VanDerWaalsContact O-N 3.15Å; H102-L104 PolarHBondContact O-N 2.81Å; L104-R106 VanDerWaalsContact C-N 3.27Å; L104-R106 PolarHBondContact O-N 3.33Å; L104-G107 PolarHBondContact O-N 2.04Å; L104-A109 HydrophobicContact CD2-CB 3.64Å; L104-A109 HydrophobicContact CG-CB 4.18Å
105T95.4Very high94.2Very high62 Ų6273.4 Ų73.438%0.3842%0.416SS..Hα-helixtrans-69.4-26178.9490000112.8I80 L101 H102I80-T105 HydrophobicContact CD1-CG2 3.74Å; L101-T105 WeakPolarHBondContact O-CG2 3.5Å; L101-T105 PolarHBondContact O-N 3.05Å; L101-T105 PolarHBondContact O-OG1 2.99Å; H102-T105 WeakPolarHBondContact CA-OG1 3.24Å; H102-T105 PolarHBondContact O-N 2.88Å; H102-T105 PolarHBondContact O-OG1 3.22Å
106R96Very high92.3Very high168 Ų16870.7 Ų70.763%0.63441%0.406SS*.THydrogen-bonded Turntrans-92.4-0.4178-67.2-64.3-167.8-1671.7114.8H102 S103 L104 Q108H102-R106 WeakPolarHBondContact O-CB 3.39Å; H102-R106 VanDerWaalsContact O-CG 3.29Å; H102-R106 WeakPolarHBondContact O-CG 3.34Å; H102-R106 PolarHBondContact O-N 2.9Å; S103-R106 PolarHBondContact O-N 2.84Å; L104-R106 VanDerWaalsContact C-N 3.27Å; L104-R106 PolarHBondContact O-N 3.33Å; R106-Q108 VanDerWaalsContact C-N 3.33Å; R106-Q108 HydrophobicContact CB-CG 3.96Å
107G96.9Very high90.1Very high15 Ų1573 Ų7316%0.15541%0.406CS..THydrogen-bonded Turntrans71.626.9-177.500000113.7C78 S103 L104C78-G107 CarbonylContact O-C 3.07Å; C78-G107 VanDerWaalsContact O-CA 3.22Å; C78-G107 WeakPolarHBondContact O-CA 3.46Å; S103-G107 PolarHBondContact O-N 3.13Å; S103-G107 VanDerWaalsContact O-N 3.13Å; L104-G107 PolarHBondContact O-N 2.04Å
108Q97.4Very high87.4Confident101 Ų10175 Ų7547%0.47243%0.427SS..  trans-105.9-1.6-175.9-64.2175.1-600113.1C78 S103 R106C78-Q108 PolarHBondContact O-N 3.32Å; S103-Q108 PolarHBondContact O-N 2.95Å; R106-Q108 VanDerWaalsContact C-N 3.33Å; R106-Q108 HydrophobicContact CB-CG 3.96Å
109A97.4Very high84.8Confident0 Ų075.1 Ų75.10%043%0.428CS..EExtended strand (participates in β ladder)trans-70.8174.7168.300000110.2L77 C78 C91 T92 L104L77-A109 CarbonylContact C-O 3.56Å; L77-A109 VanDerWaalsContact CA-O 3.3Å; L77-A109 WeakPolarHBondContact CA-O 3.13Å; C78-A109 PolarHBondContact N-O 3.18Å; C78-A109 WeakPolarHBondContact O-CB 3.33Å; C78-A109 PolarHBondContact O-N 2.95Å; C78-A109 VanDerWaalsContact O-N 3.08Å; C78-A109 VanDerWaalsContact SG-C 3.55Å; C91-A109 VanDerWaalsContact SG-CB 3.59Å; T92-A109 VanDerWaalsContact O-CB 3.32Å; T92-A109 WeakPolarHBondContact O-CB 3.4Å; L104-A109 HydrophobicContact CD2-CB 3.64Å; L104-A109 HydrophobicContact CG-CB 4.18Å
110V97.8Very high81.9Confident15 Ų1573.6 Ų73.69%0.09144%0.436CS..EExtended strand (participates in β ladder)trans-130.5144.8-176.9-74.60000111.9E76 L77 C78 T92 R94 T112E76-V110 WeakPolarHBondContact O-CA 3.38Å; L77-V110 HydrophobicContact CD2-CG1 4.13Å; C78-V110 PolarHBondContact SG-N 2.9Å; T92-V110 PolarHBondContact N-O 3.48Å; T92-V110 PolarHBondContact O-N 3.02Å; R94-V110 HydrophobicContact CG-CG2 4.22Å; V110-T112 HydrophobicContact CG2-CG2 3.9Å; V110-T112 PolarHBondContact O-N 3.22Å
111C97.8Very high79.3Confident3 Ų376.3 Ų76.32%0.0245%0.454CS..EExtended strand (participates in β ladder)trans-72.6110.2172.4-67.20000110L72 K73 G75 E76 C85 L89L72-C111 VanDerWaalsContact CB-SG 3.56Å; K73-C111 WeakPolarHBondContact O-CB 3.33Å; G75-C111 PolarHBondContact N-O 3.4Å; E76-C111 PolarHBondContact O-N 2.87Å; C85-C111 HydrophobicContact CB-CB 3.78Å; C85-C111 WeakPolarHBondContact CB-SG 3.45Å; C85-C111 WeakPolarHBondContact SG-CA 3.39Å; C85-C111 WeakPolarHBondContact SG-CB 3.33Å; C85-C111 CovalentContact SG-SG 2.04Å; C85-C111 PolarHBondContact SG-SG 2.77Å; L89-C111 HydrophobicContact CB-CB 4.36Å; L89-C111 HydrophobicContact CD1-CB 4.24Å
112T96.5Very high76.3Confident44 Ų4478.1 Ų78.127%0.2746%0.459SS..EExtended strand (participates in β ladder)trans-116.7151.3-178.454.90000110.6L89 R90 T92 V110 S114L89-T112 CarbonylContact C-O 3.53Å; L89-T112 VanDerWaalsContact CA-O 3.31Å; L89-T112 WeakPolarHBondContact CA-O 3.48Å; R90-T112 PolarHBondContact N-O 3.32Å; R90-T112 PolarHBondContact O-N 2.79Å; R90-T112 PolarHBondContact O-OG1 3.31Å; T92-T112 VanDerWaalsContact OG1-CG2 3.27Å; T92-T112 WeakPolarHBondContact OG1-CG2 3.3Å; T92-T112 PolarHBondContact OG1-OG1 3.02Å; V110-T112 HydrophobicContact CG2-CG2 3.9Å; V110-T112 PolarHBondContact O-N 3.22Å; T112-S114 PolarHBondContact O-N 2.04Å
113E94.8Very high73.6Confident163 Ų16380.3 Ų80.376%0.76248%0.48SS*.EExtended strand (participates in β ladder)trans-53.5130.8171.9-68.4-179.2177.700111.2L89 A115L89-E113 HydrophobicContact CD2-CG 4.12Å; E113-A115 PolarHBondContact O-N 3.22Å; E113-A115 VanDerWaalsContact O-N 3.11Å
114S84.3Confident70.6Confident55 Ų5588.4 Ų88.439%0.38552%0.516SS..  trans-72.4104.6172.2-610000107.2G88 R90 T112 A116G88-S114 WeakPolarHBondContact O-CB 3.07Å; G88-S114 PolarHBondContact O-N 3.47Å; G88-S114 PolarHBondContact O-OG 2.94Å; R90-S114 WeakPolarHBondContact CB-OG 3.38Å; R90-S114 WeakPolarHBondContact CG-OG 3.41Å; T112-S114 PolarHBondContact O-N 2.04Å; S114-A116 PolarHBondContact O-N 2.8Å
115A69.8Low67.4Low72 Ų7293.1 Ų93.160%0.59555%0.546SS*.  trans-52.9128164.600000107.9E113E113-A115 PolarHBondContact O-N 3.22Å; E113-A115 VanDerWaalsContact O-N 3.11Å
116A54.8Low64.5Low82 Ų8297.7 Ų97.768%0.67856%0.564SS**  trans-48.7147.9169.100000108.9S114 A118S114-A116 PolarHBondContact O-N 2.8Å; A116-A118 VanDerWaalsContact C-N 3.34Å; A116-A118 PolarHBondContact O-N 3.41Å
117P45.2Very low61.5Low131 Ų13196.9 Ų96.985%0.85157%0.572SS**  trans-57.3101.5179.313.4-18.2000109.1
118A39.4Very low58.4Low77 Ų77104.7 Ų104.764%0.63660%0.604SS**  trans-64.4135.7164.400000106A116 T120A116-A118 VanDerWaalsContact C-N 3.34Å; A116-A118 PolarHBondContact O-N 3.41Å; A118-T120 PolarHBondContact O-N 2.94Å
119P39.6Very low55.4Low123 Ų123102.7 Ų102.780%0.79961%0.611SS**  trans-58108.3171.923.3-30.6000107.5P121P119-P121 WeakPolarHBondContact O-CD 3.06Å
120T34.8Very low52.2Low128 Ų128111.5 Ų111.579%0.78565%0.652SS**PPolyproline II helixtrans-58.5124.1171.79.10000107.8A118 E122A118-T120 PolarHBondContact O-N 2.94Å; T120-E122 PolarHBondContact O-N 2.85Å
121P42.9Very low49.3Very low119 Ų119116.2 Ų116.277%0.77368%0.683SS**PPolyproline II helixtrans-60.7124.9162.7-13.727.8000107.2P119P119-P121 WeakPolarHBondContact O-CD 3.06Å
122E33.6Very low46Very low172 Ų172123.7 Ų123.780%0.80472%0.723SS**PPolyproline II helixtrans-51.2132.2172.4-62.6179.3142.300109.5T120 Q124T120-E122 PolarHBondContact O-N 2.85Å; E122-Q124 PolarHBondContact O-N 3.27Å
123P37.8Very low43.1Very low116 Ų116125.9 Ų125.975%0.75375%0.746SS**  trans-64.1110.2168-14.527.9000108.2T125P123-T125 VanDerWaalsContact C-N 3.3Å; P123-T125 PolarHBondContact O-N 2.53Å
124Q33Very low40.3Very low179 Ų179127.3 Ų127.384%0.83675%0.752SS**  trans-68.492.1166.9-69.3-175.8-15.700108.2E122 Q126E122-Q124 PolarHBondContact O-N 3.27Å; Q124-Q126 PolarHBondContact O-N 3Å; Q124-Q126 VanDerWaalsContact O-N 3.11Å
125T29.9Very low38.2Very low130 Ų130130.5 Ų130.580%0.79877%0.769SS**  trans-70.8101.5166.6-42.70000107P123 D127P123-T125 VanDerWaalsContact C-N 3.3Å; P123-T125 PolarHBondContact O-N 2.53Å; T125-D127 PolarHBondContact O-N 3.43Å; T125-D127 VanDerWaalsContact O-N 3.1Å
126Q34.2Very low36.3Very low158 Ų158133.3 Ų133.374%0.73877%0.774SS**  trans-66.8106.1168.3-74.9178.7-5.400108.2Q124 Q128Q124-Q126 PolarHBondContact O-N 3Å; Q124-Q126 VanDerWaalsContact O-N 3.11Å; Q126-Q128 PolarHBondContact O-N 3.06Å
127D32.9Very low35.7Very low152 Ų152136.2 Ų136.281%0.81378%0.778SS**  trans-64.1105.3165.5-170.636.7000108.5T125T125-D127 PolarHBondContact O-N 3.43Å; T125-D127 VanDerWaalsContact O-N 3.1Å
128Q33.6Very low35.8Very low178 Ų178134.4 Ų134.483%0.83277%0.769SS**  trans-108.788.8160.3-78.1-175.650.600106.3Q126Q126-Q128 PolarHBondContact O-N 3.06Å
129G33.6Very low36.1Very low60 Ų60134.8 Ų134.862%0.61977%0.772SS**  trans-74.5136.1168.800000111.3
130E29.3Very low36.7Very low184 Ų184136.9 Ų136.986%0.8678%0.775SS**  trans-161.6147.5157.1-93.7-137.7124.300107.6
131P37.3Very low37.1Very low114 Ų114137.1 Ų137.174%0.7478%0.776SS**  -103.7147.4-82.1-2.322.8000111.4A133P131-A133 PolarHBondContact O-N 3.4Å
132D29.2Very low37Very low161 Ų161134.1 Ų134.186%0.86177%0.767SS**  trans-57.2117.9170.3-72.7-51.5000110.5E134D132-E134 PolarHBondContact O-N 2.83Å; D132-E134 VanDerWaalsContact O-N 3.11Å
133A35.9Very low37.9Very low90 Ų90130.5 Ų130.574%0.74476%0.761SS**  trans-66.1108.6156.900000106.8P131 V135P131-A133 PolarHBondContact O-N 3.4Å; A133-V135 PolarHBondContact O-N 3.4Å
134E35Very low38.2Very low192 Ų192129.4 Ų129.490%0.89776%0.756SS**  trans-42.3101.7175-64.1173.6136.300110.8D132 D136D132-E134 PolarHBondContact O-N 2.83Å; D132-E134 VanDerWaalsContact O-N 3.11Å; E134-D136 PolarHBondContact O-N 3.27Å
135V40.5Very low38.9Very low123 Ų123131 Ų13175%0.74576%0.756SS**  trans-82.595.3163.5173.50000105.8A133 N137A133-V135 PolarHBondContact O-N 3.4Å; V135-N137 VanDerWaalsContact C-N 3.33Å; V135-N137 PolarHBondContact O-N 3.04Å
136D30.6Very low39.7Very low130 Ų130132.1 Ų132.170%0.69576%0.756SS**  trans-59.898.6165.8179.237.3000108.5E134 S138E134-D136 PolarHBondContact O-N 3.27Å; D136-S138 PolarHBondContact O-N 3.11Å; D136-S138 VanDerWaalsContact OD1-CB 3.27Å; D136-S138 WeakPolarHBondContact OD1-CB 3.04Å; D136-S138 PolarHBondContact OD1-OG 2.94Å
137N42.1Very low40.3Very low143 Ų143130.8 Ų130.877%0.76576%0.761SS**  trans-91.453.7177.8-14621.2000109V135V135-N137 VanDerWaalsContact C-N 3.33Å; V135-N137 PolarHBondContact O-N 3.04Å
138S46.6Very low41.3Very low93 Ų93127.2 Ų127.265%0.6576%0.76SS**  trans-102.567176.7-65.70000110.4D136D136-S138 PolarHBondContact O-N 3.11Å; D136-S138 VanDerWaalsContact OD1-CB 3.27Å; D136-S138 WeakPolarHBondContact OD1-CB 3.04Å; D136-S138 PolarHBondContact OD1-OG 2.94Å
139A46.4Very low42.5Very low86 Ų86125.8 Ų125.871%0.71176%0.757SS**  trans-161.752161.400000113.3
140I52.4Low43.4Very low167 Ų167128.4 Ų128.486%0.85676%0.764SS**  trans-121.975.7148.7-56.6-170.9000107.1
141T41.9Very low44.8Very low132 Ų132129.1 Ų129.181%0.8176%0.764SS**  trans-120.8121.5160.9-29.20000106.5
142G40.7Very low46.3Very low56 Ų56128 Ų12858%0.57775%0.752SS**  trans-51.6151-173.600000113.5S144G142-S144 PolarHBondContact O-N 3.43Å; G142-S144 PolarHBondContact O-OG 3.03Å; G142-S144 VanDerWaalsContact O-OG 3.1Å
143S53.9Low48.3Very low96 Ų96124.9 Ų124.967%0.67174%0.74SS**  trans-39.4101.1167-162.50000110.8
144S43.6Very low50Low93 Ų93129.4 Ų129.465%0.6574%0.738SS**  trans-121.798.1170.8-55.70000105G142 L146G142-S144 PolarHBondContact O-N 3.43Å; G142-S144 PolarHBondContact O-OG 3.03Å; G142-S144 VanDerWaalsContact O-OG 3.1Å; S144-L146 VanDerWaalsContact C-N 3.29Å; S144-L146 PolarHBondContact O-N 2.97Å
145Y48Very low51.9Low214 Ų214122.7 Ų122.784%0.83972%0.716SS**  trans-61.591.4174.5-59.1-88.7000108.9
146L45.8Very low53.6Low152 Ų152120.8 Ų120.880%0.79670%0.704SS**  trans-91112.8165.2-80.8168.5000107.8S144 G148S144-L146 VanDerWaalsContact C-N 3.29Å; S144-L146 PolarHBondContact O-N 2.97Å; L146-G148 PolarHBondContact O-N 2.92Å
147P46.7Very low56Low131 Ų131118.1 Ų118.185%0.85169%0.693SS**THydrogen-bonded Turntrans-76.5122178.28.15.4000109.6
148G53.9Low58Low77 Ų77117.7 Ų117.779%0.79469%0.686SS**THydrogen-bonded Turntrans143.4-2.2162.800000118.7L146L146-G148 PolarHBondContact O-N 2.92Å
149L58.2Low59.7Low148 Ų148116.1 Ų116.178%0.77568%0.679SS**SBendtrans-89.2142.6172.6-82.1159.4000111.2F151L149-F151 PolarHBondContact O-N 3.42Å; L149-F151 VanDerWaalsContact O-N 3.08Å
150P53.8Low61.6Low115 Ų115118 Ų11875%0.74767%0.673SS**  trans-59117.7174.8-15.627.6000108.8D152P150-D152 PolarHBondContact O-N 3.38Å; P150-D152 VanDerWaalsContact O-N 3.08Å
151F58.5Low63.4Low198 Ų198115.2 Ų115.287%0.86866%0.656SS**  trans-61112.5164.9-79.5-94.1000106.6L149 P153L149-F151 PolarHBondContact O-N 3.42Å; L149-F151 VanDerWaalsContact O-N 3.08Å; F151-P153 VanDerWaalsContact O-CD 3.24Å; F151-P153 WeakPolarHBondContact O-CD 3.23Å
152D68.5Low65.7Low90 Ų90111.8 Ų111.848%0.48164%0.638SS.*  trans-92.1104.4169.5-170.5-13000108.4P150 R154 A155P150-D152 PolarHBondContact O-N 3.38Å; P150-D152 VanDerWaalsContact O-N 3.08Å; D152-R154 PolarHBondContact O-N 3.34Å; D152-R154 VanDerWaalsContact O-N 3.13Å; D152-R154 WeakPolarHBondContact OD1-CB 3.35Å; D152-R154 PolarHBondContact OD1-N 2.04Å; D152-A155 HydrophobicContact CB-CB 4.37Å; D152-A155 PolarHBondContact O-N 3.44Å
153P71Confident68Low96 Ų96115.3 Ų115.362%0.62364%0.641SS**Hα-helixtrans-59.2-24.8179.4-22.335.6000112.5F151 T157F151-P153 VanDerWaalsContact O-CD 3.24Å; F151-P153 WeakPolarHBondContact O-CD 3.23Å; P153-T157 WeakPolarHBondContact O-CG2 3.41Å; P153-T157 PolarHBondContact O-N 3.11Å; P153-T157 PolarHBondContact O-OG1 2.78Å
154R71.2Confident69.8Low185 Ų185115.7 Ų115.770%0.69863%0.63SS**Hα-helixtrans-70.3-44.1-178.9-72-176.6171.4-172.3-2.1112.2D152 V156 T157 E158D152-R154 PolarHBondContact O-N 3.34Å; D152-R154 VanDerWaalsContact O-N 3.13Å; D152-R154 WeakPolarHBondContact OD1-CB 3.35Å; D152-R154 PolarHBondContact OD1-N 2.04Å; R154-V156 VanDerWaalsContact C-N 3.27Å; R154-V156 PolarHBondContact O-N 2.8Å; R154-T157 WeakPolarHBondContact CA-OG1 3.41Å; R154-T157 PolarHBondContact O-N 3.19Å; R154-T157 VanDerWaalsContact O-N 3.11Å; R154-T157 PolarHBondContact O-OG1 2.95Å; R154-E158 WeakPolarHBondContact O-CG 3.34Å; R154-E158 PolarHBondContact O-N 3.11Å
155A75.7Confident72Confident52 Ų52114 Ų11443%0.4362%0.622SS.*Hα-helixtrans-61-36.6178.700000112.3D152 A159D152-A155 HydrophobicContact CB-CB 4.37Å; D152-A155 PolarHBondContact O-N 3.44Å; A155-A159 WeakPolarHBondContact O-CB 3.08Å; A155-A159 PolarHBondContact O-N 2.54Å; A155-A159 VanDerWaalsContact O-N 3.08Å
156V76.3Confident74.1Confident82 Ų82110.5 Ų110.550%0.49761%0.611SS.*Hα-helixtrans-66.6-44.9174.5-179.70000111R154 E158 A159 Q160R154-V156 VanDerWaalsContact C-N 3.27Å; R154-V156 PolarHBondContact O-N 2.8Å; V156-E158 PolarHBondContact O-N 2.82Å; V156-A159 PolarHBondContact O-N 3.24Å; V156-Q160 WeakPolarHBondContact O-CG 3.49Å; V156-Q160 PolarHBondContact O-N 3.1Å
157T80.1Confident76Confident74 Ų74108.5 Ų108.545%0.45460%0.6SS.*Hα-helixtrans-65.4-37178.454.20000113.1P153 R154 Q160 E161P153-T157 WeakPolarHBondContact O-CG2 3.41Å; P153-T157 PolarHBondContact O-N 3.11Å; P153-T157 PolarHBondContact O-OG1 2.78Å; R154-T157 WeakPolarHBondContact CA-OG1 3.41Å; R154-T157 PolarHBondContact O-N 3.19Å; R154-T157 VanDerWaalsContact O-N 3.11Å; R154-T157 PolarHBondContact O-OG1 2.95Å; T157-Q160 PolarHBondContact O-N 2.79Å; T157-E161 PolarHBondContact O-N 3.39Å
158E83.9Confident77.8Confident134 Ų134107.2 Ų107.263%0.62659%0.586SS**Hα-helixtrans-67.5-41.6176.5-72.5173.2176.900111.7R154 V156 Q160 E161 S162R154-E158 WeakPolarHBondContact O-CG 3.34Å; R154-E158 PolarHBondContact O-N 3.11Å; V156-E158 PolarHBondContact O-N 2.82Å; E158-Q160 VanDerWaalsContact C-N 3.35Å; E158-E161 PolarHBondContact O-N 3.37Å; E158-S162 VanDerWaalsContact O-CB 3.32Å; E158-S162 WeakPolarHBondContact O-CB 3.06Å; E158-S162 PolarHBondContact O-N 3.46Å
159A82.4Confident79.3Confident61 Ų61106 Ų10650%0.50457%0.568SS.*Hα-helixtrans-62.8-40.8173.600000112A155 V156 M163A155-A159 WeakPolarHBondContact O-CB 3.08Å; A155-A159 PolarHBondContact O-N 2.54Å; A155-A159 VanDerWaalsContact O-N 3.08Å; V156-A159 PolarHBondContact O-N 3.24Å; A159-M163 WeakPolarHBondContact O-CB 3.22Å; A159-M163 PolarHBondContact O-N 3.27Å
160Q86.9Confident80.4Confident124 Ų124104 Ų10458%0.57956%0.557SS**Hα-helixtrans-66.2-43.6176.1-72.9-178.8-68.200112.5V156 T157 E158 M163 K164V156-Q160 WeakPolarHBondContact O-CG 3.49Å; V156-Q160 PolarHBondContact O-N 3.1Å; T157-Q160 PolarHBondContact O-N 2.79Å; E158-Q160 VanDerWaalsContact C-N 3.35Å; Q160-M163 PolarHBondContact O-N 3.3Å; Q160-K164 WeakPolarHBondContact O-CB 3.45Å; Q160-K164 PolarHBondContact O-N 2.82Å
161E89.8Confident81.4Confident109 Ų109107.4 Ų107.451%0.50956%0.555SS.*Hα-helixtrans-67.3-38177.1-79.9-65.8139.800111.9T157 E158 K164 A165T157-E161 PolarHBondContact O-N 3.39Å; E158-E161 PolarHBondContact O-N 3.37Å; E161-K164 PolarHBondContact O-N 3.22Å; E161-K164 IonicContact OE1-NZ 2.82Å; E161-K164 PolarHBondContact OE1-NZ 3.32Å; E161-K164 IonicContact OE2-NZ 2.93Å; E161-A165 WeakPolarHBondContact O-CB 3.42Å; E161-A165 PolarHBondContact O-N 3.26Å
162S90.6Very high82.2Confident60 Ų60106.2 Ų106.242%0.4254%0.544SS..Hα-helixtrans-61.9-45.5172.3-178.80000112E158 K164 A165 K166E158-S162 VanDerWaalsContact O-CB 3.32Å; E158-S162 WeakPolarHBondContact O-CB 3.06Å; E158-S162 PolarHBondContact O-N 3.46Å; S162-K164 VanDerWaalsContact C-N 3.34Å; S162-K164 PolarHBondContact O-N 2.85Å; S162-A165 PolarHBondContact O-N 3.28Å; S162-K166 WeakPolarHBondContact O-CG 3.37Å; S162-K166 PolarHBondContact O-N 3.26Å
163M90.1Very high82.4Confident131 Ų131108.8 Ų108.865%0.64555%0.552SS**Hα-helixtrans-61.8-42.4176.2-173.5179-71.200111.7A159 Q160 K166 L167A159-M163 WeakPolarHBondContact O-CB 3.22Å; A159-M163 PolarHBondContact O-N 3.27Å; Q160-M163 PolarHBondContact O-N 3.3Å; M163-K166 PolarHBondContact O-N 3.16Å; M163-L167 WeakPolarHBondContact O-CG 3.39Å; M163-L167 PolarHBondContact O-N 3.2Å
164K91.1Very high82.2Confident104 Ų104107.2 Ų107.245%0.45254%0.537SS..Hα-helixtrans-64.1-43.2175.7-177.2-170.4179.4-167.80112Q160 E161 S162 K166 L167 I168Q160-K164 WeakPolarHBondContact O-CB 3.45Å; Q160-K164 PolarHBondContact O-N 2.82Å; E161-K164 PolarHBondContact O-N 3.22Å; E161-K164 IonicContact OE1-NZ 2.82Å; E161-K164 PolarHBondContact OE1-NZ 3.32Å; E161-K164 IonicContact OE2-NZ 2.93Å; S162-K164 VanDerWaalsContact C-N 3.34Å; S162-K164 PolarHBondContact O-N 2.85Å; K164-K166 VanDerWaalsContact C-N 3.34Å; K164-K166 PolarHBondContact O-N 2.94Å; K164-L167 PolarHBondContact O-N 3.18Å; K164-I168 HydrophobicContact CG-CD1 4.14Å; K164-I168 WeakPolarHBondContact O-CG1 3.06Å; K164-I168 PolarHBondContact O-N 2.75Å
165A90.1Very high81.9Confident57 Ų57102.7 Ų102.747%0.47153%0.53SS..Hα-helixtrans-61.3-42.3176.300000111.6E161 S162 I168 A169E161-A165 WeakPolarHBondContact O-CB 3.42Å; E161-A165 PolarHBondContact O-N 3.26Å; S162-A165 PolarHBondContact O-N 3.28Å; A165-I168 PolarHBondContact O-N 3.4Å; A165-A169 WeakPolarHBondContact O-CB 3.33Å; A165-A169 PolarHBondContact O-N 2.89Å
166K91.1Very high81.8Confident141 Ų141106.3 Ų106.361%0.61354%0.538SS*.Hα-helixtrans-61-43.9173.8-72.2-178.1-179-1740112S162 M163 K164 A169 I170S162-K166 WeakPolarHBondContact O-CG 3.37Å; S162-K166 PolarHBondContact O-N 3.26Å; M163-K166 PolarHBondContact O-N 3.16Å; K164-K166 VanDerWaalsContact C-N 3.34Å; K164-K166 PolarHBondContact O-N 2.94Å; K166-A169 PolarHBondContact O-N 3.25Å; K166-I170 VanDerWaalsContact O-CG1 3.3Å; K166-I170 WeakPolarHBondContact O-CG1 3.34Å; K166-I170 PolarHBondContact O-N 3.38Å
167L86.2Confident81.6Confident109 Ų109106.4 Ų106.457%0.57153%0.533SS*.Hα-helixtrans-63.8-39.9176.1-72.2173.7000112.7M163 K164 I170 R171M163-L167 WeakPolarHBondContact O-CG 3.39Å; M163-L167 PolarHBondContact O-N 3.2Å; K164-L167 PolarHBondContact O-N 3.18Å; L167-I170 PolarHBondContact O-N 3.23Å; L167-R171 WeakPolarHBondContact O-CB 3.49Å; L167-R171 PolarHBondContact O-N 3.49Å
168I84.8Confident82Confident105 Ų105103.2 Ų103.254%0.53852%0.516SS..Hα-helixtrans-63.5-43.1175.1-69.3166.4000110.5K164 A165 R171 R172K164-I168 HydrophobicContact CG-CD1 4.14Å; K164-I168 WeakPolarHBondContact O-CG1 3.06Å; K164-I168 PolarHBondContact O-N 2.75Å; A165-I168 PolarHBondContact O-N 3.4Å; I168-R171 PolarHBondContact O-N 3.45Å; I168-R172 WeakPolarHBondContact O-CB 3.42Å; I168-R172 PolarHBondContact O-N 2.86Å
169A84.9Confident82.4Confident51 Ų5199.1 Ų99.142%0.42150%0.5SS..Hα-helixtrans-63.8-42.9177.400000112.1A165 K166 R172 K173A165-A169 WeakPolarHBondContact O-CB 3.33Å; A165-A169 PolarHBondContact O-N 2.89Å; K166-A169 PolarHBondContact O-N 3.25Å; A169-R172 PolarHBondContact O-N 2.93Å; A169-K173 WeakPolarHBondContact O-CG 3.33Å; A169-K173 PolarHBondContact O-N 3.39Å
170I80.5Confident83Confident107 Ų10796.2 Ų96.255%0.54948%0.476SS..Hα-helixtrans-61.7-47.9174.4-68.6165.1000110.4K166 L167 R172 K173 L174K166-I170 VanDerWaalsContact O-CG1 3.3Å; K166-I170 WeakPolarHBondContact O-CG1 3.34Å; K166-I170 PolarHBondContact O-N 3.38Å; L167-I170 PolarHBondContact O-N 3.23Å; I170-R172 VanDerWaalsContact C-N 3.29Å; I170-R172 PolarHBondContact O-N 3.13Å; I170-K173 PolarHBondContact O-N 3.02Å; I170-L174 WeakPolarHBondContact O-CB 3.27Å; I170-L174 PolarHBondContact O-N 3.05Å
171R75.2Confident83.2Confident186 Ų18692.7 Ų92.770%0.70246%0.46SS*.Hα-helixtrans-59.3-41.2177.5-175.3176.1-177.2158.21.3111.4L167 I168 L174 V175L167-R171 WeakPolarHBondContact O-CB 3.49Å; L167-R171 PolarHBondContact O-N 3.49Å; I168-R171 PolarHBondContact O-N 3.45Å; R171-L174 PolarHBondContact O-N 2.98Å; R171-V175 HydrophobicContact CG-CG2 4.39Å; R171-V175 WeakPolarHBondContact O-CB 3.16Å; R171-V175 VanDerWaalsContact O-CG2 3.23Å; R171-V175 WeakPolarHBondContact O-CG2 3.44Å; R171-V175 PolarHBondContact O-N 3.21Å
172R75.2Confident83.3Confident172 Ų17290.1 Ų90.165%0.64945%0.449SS*.Hα-helixtrans-62.7-46.6176.2-176.3179.4170.6166.82.5111.5I168 A169 I170 L174 V175 E176I168-R172 WeakPolarHBondContact O-CB 3.42Å; I168-R172 PolarHBondContact O-N 2.86Å; A169-R172 PolarHBondContact O-N 2.93Å; I170-R172 VanDerWaalsContact C-N 3.29Å; I170-R172 PolarHBondContact O-N 3.13Å; R172-L174 PolarHBondContact O-N 3.48Å; R172-V175 PolarHBondContact O-N 3.33Å; R172-E176 IonicContact NE-OE1 3.61Å; R172-E176 PolarHBondContact NE-OE1 3.29Å; R172-E176 WeakPolarHBondContact O-CB 3.3Å; R172-E176 WeakPolarHBondContact O-CG 3.49Å; R172-E176 PolarHBondContact O-N 3.18Å
173K74.5Confident83.4Confident145 Ų14590.7 Ų90.763%0.6345%0.445SS*.Hα-helixtrans-60-35175.3-74.7-172.3176.3-171.60112.7A169 I170 Q177A169-K173 WeakPolarHBondContact O-CG 3.33Å; A169-K173 PolarHBondContact O-N 3.39Å; I170-K173 PolarHBondContact O-N 3.02Å; K173-Q177 WeakPolarHBondContact O-CG 3.48Å; K173-Q177 PolarHBondContact O-N 3.02Å; K173-Q177 PolarHBondContact O-NE2 3.03Å
174L66.6Low83.6Confident62 Ų6286.3 Ų86.333%0.32542%0.424SS..Hα-helixtrans-77.5-33.5178.9-165.165.9000112.1I170 R171 R172 Q177 L182I170-L174 WeakPolarHBondContact O-CB 3.27Å; I170-L174 PolarHBondContact O-N 3.05Å; R171-L174 PolarHBondContact O-N 2.98Å; R172-L174 PolarHBondContact O-N 3.48Å; L174-Q177 WeakPolarHBondContact O-CB 3.47Å; L174-Q177 PolarHBondContact O-N 2.95Å; L174-L182 HydrophobicContact CD1-CD2 3.93Å; L174-L182 HydrophobicContact CD1-CG 4.38Å; L174-L182 HydrophobicContact CD2-CD2 3.24Å; L174-L182 HydrophobicContact CD2-CG 4.33Å; L174-L182 HydrophobicContact CG-CD1 4.49Å; L174-L182 HydrophobicContact CG-CD2 3.26Å; L174-L182 HydrophobicContact CG-CG 3.83Å
175V64.8Low83.6Confident91 Ų9185.1 Ų85.155%0.55243%0.426SS*.Hα-helixtrans-69.8-35.2170.4170.10000111.4R171 R172 Q177 G178R171-V175 HydrophobicContact CG-CG2 4.39Å; R171-V175 WeakPolarHBondContact O-CB 3.16Å; R171-V175 VanDerWaalsContact O-CG2 3.23Å; R171-V175 WeakPolarHBondContact O-CG2 3.44Å; R171-V175 PolarHBondContact O-N 3.21Å; R172-V175 PolarHBondContact O-N 3.33Å; V175-Q177 PolarHBondContact O-N 3.37Å; V175-G178 PolarHBondContact O-N 2.85Å
176E72.3Confident83.7Confident127 Ų12785.7 Ų85.759%0.59342%0.423SS*.Hα-helixtrans-61.7-25.2172-79.4175.6-174.200112.3R172 G178R172-E176 IonicContact NE-OE1 3.61Å; R172-E176 PolarHBondContact NE-OE1 3.29Å; R172-E176 WeakPolarHBondContact O-CB 3.3Å; R172-E176 WeakPolarHBondContact O-CG 3.49Å; R172-E176 PolarHBondContact O-N 3.18Å; E176-G178 VanDerWaalsContact C-N 3.29Å
177Q73.7Confident83.8Confident84 Ų8479.5 Ų79.539%0.39340%0.399SS..THydrogen-bonded Turntrans-77.2-10.8173.1-69.2172.247.500113.3K173 L174 V175 H181 G214K173-Q177 WeakPolarHBondContact O-CG 3.48Å; K173-Q177 PolarHBondContact O-N 3.02Å; K173-Q177 PolarHBondContact O-NE2 3.03Å; L174-Q177 WeakPolarHBondContact O-CB 3.47Å; L174-Q177 PolarHBondContact O-N 2.95Å; V175-Q177 PolarHBondContact O-N 3.37Å; Q177-H181 HydrophobicContact CB-CB 3.93Å; Q177-H181 VanDerWaalsContact O-CB 3.3Å; Q177-H181 WeakPolarHBondContact O-CB 3.08Å; Q177-H181 PolarHBondContact O-ND1 3.43Å; Q177-G214 WeakPolarHBondContact O-CA 3.23Å
178G87.9Confident84.1Confident8 Ų878.3 Ų78.38%0.08239%0.392CS..Hα-helixtrans84161.1177.100000115.2V175 E176 C180 H181 L182 G214V175-G178 PolarHBondContact O-N 2.85Å; E176-G178 VanDerWaalsContact C-N 3.29Å; G178-C180 PolarHBondContact O-N 2.71Å; G178-H181 PolarHBondContact O-N 3.07Å; G178-L182 PolarHBondContact O-N 3.43Å; G178-G214 CarbonylContact C-O 3.48Å; G178-G214 VanDerWaalsContact C-O 3.28Å; G178-G214 WeakPolarHBondContact CA-O 3.32Å
179P92.2Very high84.3Confident47 Ų4776.8 Ų76.831%0.30539%0.385SS..Hα-helixtrans-63.7-34.1-173.724.7-34000113.8L182 E183 L215 Y216 W238P179-L182 WeakPolarHBondContact O-CB 3.44Å; P179-E183 PolarHBondContact O-N 2.85Å; P179-E183 VanDerWaalsContact O-N 3.16Å; P179-L215 HydrophobicContact CG-CD2 4.14Å; P179-Y216 HydrophobicContact CB-CE2 4.12Å; P179-Y216 HydrophobicContact CG-CE2 4.17Å; P179-W238 WeakPolarHBondContact CG-O 3.45Å
180C94.8Very high84.5Confident0 Ų080.6 Ų80.60%039%0.392CS..Hα-helixtrans-70.4-42.7179.5-176.80000111.7G178 L182 E183 L184 C210 G214 Y216G178-C180 PolarHBondContact O-N 2.71Å; C180-L182 VanDerWaalsContact C-N 3.31Å; C180-L182 PolarHBondContact O-N 3.01Å; C180-E183 PolarHBondContact O-N 3.1Å; C180-L184 WeakPolarHBondContact O-CB 3.33Å; C180-L184 PolarHBondContact O-N 3.18Å; C180-C210 HydrophobicContact CB-CB 3.82Å; C180-C210 WeakPolarHBondContact CB-SG 3.2Å; C180-C210 PolarHBondContact O-SG 3.38Å; C180-C210 VanDerWaalsContact O-SG 3.34Å; C180-C210 WeakPolarHBondContact SG-CA 3.21Å; C180-C210 WeakPolarHBondContact SG-CB 3.47Å; C180-C210 CovalentContact SG-SG 2.04Å; C180-C210 PolarHBondContact SG-SG 2.98Å; C180-G214 WeakPolarHBondContact CB-O 3.42Å; C180-G214 PolarHBondContact N-O 3.48Å; C180-Y216 HydrophobicContact CB-CD1 3.72Å; C180-Y216 HydrophobicContact CB-CD2 3.89Å; C180-Y216 HydrophobicContact CB-CE1 3.78Å; C180-Y216 HydrophobicContact CB-CE2 3.93Å; C180-Y216 HydrophobicContact CB-CG 3.79Å; C180-Y216 VanDerWaalsContact SG-CD1 3.5Å
181H92.1Very high84.8Confident50 Ų5076.2 Ų76.223%0.23137%0.37CS..Hα-helixtrans-65-38178-80.4169.7000112.3Q177 G178 E183 L184 V185 C210Q177-H181 HydrophobicContact CB-CB 3.93Å; Q177-H181 VanDerWaalsContact O-CB 3.3Å; Q177-H181 WeakPolarHBondContact O-CB 3.08Å; Q177-H181 PolarHBondContact O-ND1 3.43Å; G178-H181 PolarHBondContact O-N 3.07Å; H181-E183 VanDerWaalsContact C-N 3.31Å; H181-E183 PolarHBondContact O-N 3.34Å; H181-L184 WeakPolarHBondContact O-CB 3.46Å; H181-L184 PolarHBondContact O-N 3.43Å; H181-V185 WeakPolarHBondContact O-CG2 3.49Å; H181-V185 PolarHBondContact O-N 3.27Å; H181-C210 VanDerWaalsContact CD2-CB 3.49Å; H181-C210 WeakPolarHBondContact CD2-CB 3.37Å
182L91.1Very high85.3Confident55 Ų5569.9 Ų69.929%0.28835%0.352SS..Hα-helixtrans-54.8-47.5171.3-95.5166.4000112.2L174 G178 P179 C180 T186L174-L182 HydrophobicContact CD1-CD2 3.93Å; L174-L182 HydrophobicContact CD1-CG 4.38Å; L174-L182 HydrophobicContact CD2-CD2 3.24Å; L174-L182 HydrophobicContact CD2-CG 4.33Å; L174-L182 HydrophobicContact CG-CD1 4.49Å; L174-L182 HydrophobicContact CG-CD2 3.26Å; L174-L182 HydrophobicContact CG-CG 3.83Å; G178-L182 PolarHBondContact O-N 3.43Å; P179-L182 WeakPolarHBondContact O-CB 3.44Å; C180-L182 VanDerWaalsContact C-N 3.31Å; C180-L182 PolarHBondContact O-N 3.01Å; L182-T186 PolarHBondContact O-N 3.44Å; L182-T186 PolarHBondContact O-OG1 3.06Å
183E93.4Very high85.8Confident72 Ų7266.5 Ų66.534%0.33634%0.342SS..Hα-helixtrans-67.2-39.7175.7-168.4-178.9170.700111.9P179 C180 H181 T186 A187 P208 Y216P179-E183 PolarHBondContact O-N 2.85Å; P179-E183 VanDerWaalsContact O-N 3.16Å; C180-E183 PolarHBondContact O-N 3.1Å; H181-E183 VanDerWaalsContact C-N 3.31Å; H181-E183 PolarHBondContact O-N 3.34Å; E183-T186 CarbonylContact O-C 3.52Å; E183-T186 WeakPolarHBondContact O-CB 3.33Å; E183-T186 PolarHBondContact O-N 3.41Å; E183-A187 WeakPolarHBondContact O-CB 3.14Å; E183-A187 PolarHBondContact O-N 3.44Å; E183-P208 HydrophobicContact CB-CG 4.22Å; E183-P208 HydrophobicContact CG-CG 3.86Å; E183-Y216 WeakPolarHBondContact OE2-CE1 3.41Å; E183-Y216 VanDerWaalsContact OE2-CZ 3.23Å; E183-Y216 PolarHBondContact OE2-OH 3.37Å
184L93.6Very high86.1Confident39 Ų3961.3 Ų61.320%0.20432%0.324CS..Hα-helixtrans-58.9-49.1178.5175.860.4000111.7C180 H181 T186 A187 L188 L207C180-L184 WeakPolarHBondContact O-CB 3.33Å; C180-L184 PolarHBondContact O-N 3.18Å; H181-L184 WeakPolarHBondContact O-CB 3.46Å; H181-L184 PolarHBondContact O-N 3.43Å; L184-T186 VanDerWaalsContact C-N 3.27Å; L184-T186 PolarHBondContact O-N 2.89Å; L184-A187 WeakPolarHBondContact O-CB 3.43Å; L184-A187 PolarHBondContact O-N 3.38Å; L184-A187 VanDerWaalsContact O-N 3.13Å; L184-L188 HydrophobicContact CD1-CG 4.46Å; L184-L188 HydrophobicContact CG-CD1 4.46Å; L184-L188 WeakPolarHBondContact O-CG 3.47Å; L184-L188 PolarHBondContact O-N 2.77Å; L184-L207 HydrophobicContact CD1-CD1 3.3Å; L184-L207 HydrophobicContact CD1-CD2 4.36Å; L184-L207 HydrophobicContact CD1-CG 3.58Å
185V91.6Very high86.8Confident80 Ų8059.8 Ų59.849%0.48532%0.315SS..Hα-helixtrans-59.9-42.1176.3173.40000110.6H181 A187 L188 D189H181-V185 WeakPolarHBondContact O-CG2 3.49Å; H181-V185 PolarHBondContact O-N 3.27Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.27Å; V185-L188 PolarHBondContact O-N 3.25Å; V185-D189 PolarHBondContact O-N 3.2Å
186T92.4Very high87.3Confident68 Ų6861.9 Ų61.942%0.41732%0.319SS..Hα-helixtrans-64.7-38.2176.4-55.90000111.9L182 E183 L184 K190L182-T186 PolarHBondContact O-N 3.44Å; L182-T186 PolarHBondContact O-OG1 3.06Å; E183-T186 CarbonylContact O-C 3.52Å; E183-T186 WeakPolarHBondContact O-CB 3.33Å; E183-T186 PolarHBondContact O-N 3.41Å; L184-T186 VanDerWaalsContact C-N 3.27Å; L184-T186 PolarHBondContact O-N 2.89Å; T186-K190 HydrophobicContact CG2-CD 4.47Å; T186-K190 WeakPolarHBondContact O-CG 3.27Å; T186-K190 PolarHBondContact O-N 2.93Å; T186-K190 VanDerWaalsContact O-N 3.1Å
187A92.8Very high87.5Confident12 Ų1264.2 Ų64.210%0.09933%0.327CS..Hα-helixtrans-66.6-41.6177.600000111.2E183 L184 V185 D189 K190 I191 L207 P208E183-A187 WeakPolarHBondContact O-CB 3.14Å; E183-A187 PolarHBondContact O-N 3.44Å; L184-A187 WeakPolarHBondContact O-CB 3.43Å; L184-A187 PolarHBondContact O-N 3.38Å; L184-A187 VanDerWaalsContact O-N 3.13Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.27Å; A187-D189 PolarHBondContact O-N 3.12Å; A187-K190 WeakPolarHBondContact O-CB 3.12Å; A187-K190 PolarHBondContact O-N 2.84Å; A187-I191 WeakPolarHBondContact O-CD1 3.48Å; A187-I191 WeakPolarHBondContact O-CG1 3.38Å; A187-I191 PolarHBondContact O-N 3.15Å; A187-L207 HydrophobicContact CB-CD1 4.48Å; A187-P208 HydrophobicContact CB-CG 4.46Å
188L91.1Very high87.3Confident83 Ų8365.1 Ų65.144%0.43533%0.331SS..Hα-helixtrans-60.9-43.5176.2-70171.6000112.5L184 V185 I191 T192 L207L184-L188 HydrophobicContact CD1-CG 4.46Å; L184-L188 HydrophobicContact CG-CD1 4.46Å; L184-L188 WeakPolarHBondContact O-CG 3.47Å; L184-L188 PolarHBondContact O-N 2.77Å; V185-L188 PolarHBondContact O-N 3.25Å; L188-I191 PolarHBondContact O-N 3.31Å; L188-T192 PolarHBondContact O-N 2.78Å; L188-T192 PolarHBondContact O-OG1 3.36Å; L188-L207 HydrophobicContact CD2-CD1 3.67Å; L188-L207 HydrophobicContact CG-CD1 4.08Å
189D89.3Confident86.4Confident74 Ų7467.1 Ų67.140%0.39635%0.352SS..Hα-helixtrans-62.6-42.5174.8175.172.1000111.7V185 A187 T192 K193V185-D189 PolarHBondContact O-N 3.2Å; A187-D189 PolarHBondContact O-N 3.12Å; D189-T192 PolarHBondContact O-N 3.35Å; D189-K193 WeakPolarHBondContact O-CG 3.44Å; D189-K193 PolarHBondContact O-N 2.92Å; D189-K193 VanDerWaalsContact O-N 3.07Å; D189-K193 WeakPolarHBondContact OD1-CE 3.44Å; D189-K193 IonicContact OD1-NZ 3Å; D189-K193 PolarHBondContact OD1-NZ 2.99Å; D189-K193 WeakPolarHBondContact OD2-CE 3.4Å; D189-K193 IonicContact OD2-NZ 3.58Å; D189-K193 PolarHBondContact OD2-NZ 3.42Å
190K89.1Confident85Confident131 Ų13172.9 Ų72.957%0.5737%0.374SS*.Hα-helixtrans-62.5-43175.1-74173.8-179174.80112.4T186 A187 K193 S194T186-K190 HydrophobicContact CG2-CD 4.47Å; T186-K190 WeakPolarHBondContact O-CG 3.27Å; T186-K190 PolarHBondContact O-N 2.93Å; T186-K190 VanDerWaalsContact O-N 3.1Å; A187-K190 WeakPolarHBondContact O-CB 3.12Å; A187-K190 PolarHBondContact O-N 2.84Å; K190-K193 PolarHBondContact O-N 2.88Å; K190-S194 VanDerWaalsContact O-CB 3.24Å; K190-S194 WeakPolarHBondContact O-CB 3.36Å; K190-S194 PolarHBondContact O-N 3.29Å; K190-S194 PolarHBondContact O-OG 3.26Å; K190-S194 VanDerWaalsContact O-OG 3.12Å
191I88.3Confident83.8Confident15 Ų1581.5 Ų81.58%0.07741%0.412CS..Hα-helixtrans-60-48.8178.9-72.7162000109.9I35 A187 L188 K193 S194 Q195 F202 F205 L207I35-I191 HydrophobicContact CD1-CG2 4.38Å; A187-I191 WeakPolarHBondContact O-CD1 3.48Å; A187-I191 WeakPolarHBondContact O-CG1 3.38Å; A187-I191 PolarHBondContact O-N 3.15Å; L188-I191 PolarHBondContact O-N 3.31Å; I191-K193 PolarHBondContact O-N 2.68Å; I191-S194 PolarHBondContact O-N 2.94Å; I191-Q195 WeakPolarHBondContact O-CB 3.41Å; I191-Q195 PolarHBondContact O-N 3.43Å; I191-F202 HydrophobicContact CB-CZ 4.08Å; I191-F202 HydrophobicContact CG1-CZ 4.03Å; I191-F202 HydrophobicContact CG2-CE1 4.01Å; I191-F202 HydrophobicContact CG2-CZ 3.67Å; I191-F205 HydrophobicContact CD1-CD2 3.47Å; I191-F205 VanDerWaalsContact CD1-CD2 3.47Å; I191-F205 HydrophobicContact CD1-CE2 3.89Å; I191-F205 HydrophobicContact CD1-CG 4.24Å; I191-F205 HydrophobicContact CG1-CB 4.27Å; I191-F205 HydrophobicContact CG1-CD2 3.96Å; I191-F205 HydrophobicContact CG1-CG 4.24Å; I191-L207 HydrophobicContact CD1-CD1 3.97Å
192T85.3Confident83.4Confident52 Ų5280.1 Ų80.132%0.31941%0.405SS..Hα-helixtrans-58.4-48.5179.5-50.90000111.2L188 D189 Q195 E196L188-T192 PolarHBondContact O-N 2.78Å; L188-T192 PolarHBondContact O-OG1 3.36Å; D189-T192 PolarHBondContact O-N 3.35Å; T192-Q195 PolarHBondContact O-N 2.74Å; T192-E196 PolarHBondContact O-N 2.97Å
193K84.5Confident83.1Confident102 Ų10279.3 Ų79.344%0.44340%0.403SS..Hα-helixtrans-67.3-37.3178.6-71.9170.9-179.9164.70113.5D189 K190 I191 K197D189-K193 WeakPolarHBondContact O-CG 3.44Å; D189-K193 PolarHBondContact O-N 2.92Å; D189-K193 VanDerWaalsContact O-N 3.07Å; D189-K193 WeakPolarHBondContact OD1-CE 3.44Å; D189-K193 IonicContact OD1-NZ 3Å; D189-K193 PolarHBondContact OD1-NZ 2.99Å; D189-K193 WeakPolarHBondContact OD2-CE 3.4Å; D189-K193 IonicContact OD2-NZ 3.58Å; D189-K193 PolarHBondContact OD2-NZ 3.42Å; K190-K193 PolarHBondContact O-N 2.88Å; I191-K193 PolarHBondContact O-N 2.68Å; K193-K197 WeakPolarHBondContact O-CG 3.4Å; K193-K197 PolarHBondContact O-N 3.38Å
194S82.1Confident82.9Confident35 Ų3580.4 Ų80.425%0.24541%0.407CS..Hα-helixtrans-70.5-37.2179-75.60000111.2K190 I191 E196 K197 Q198K190-S194 VanDerWaalsContact O-CB 3.24Å; K190-S194 WeakPolarHBondContact O-CB 3.36Å; K190-S194 PolarHBondContact O-N 3.29Å; K190-S194 PolarHBondContact O-OG 3.26Å; K190-S194 VanDerWaalsContact O-OG 3.12Å; I191-S194 PolarHBondContact O-N 2.94Å; S194-E196 VanDerWaalsContact C-N 3.34Å; S194-E196 PolarHBondContact O-N 3.47Å; S194-K197 PolarHBondContact O-N 3.11Å; S194-K197 VanDerWaalsContact O-N 3.15Å; S194-Q198 VanDerWaalsContact O-CB 3.23Å; S194-Q198 WeakPolarHBondContact O-CB 3.38Å; S194-Q198 WeakPolarHBondContact O-CG 3.37Å; S194-Q198 PolarHBondContact O-N 2.9Å
195Q80.7Confident82.8Confident31 Ų3180 Ų8015%0.14540%0.403CS..Hα-helixtrans-57.6-47.3176.1-173.9-170.210.800111.5E33 P34 I191 T192 K197 G199E33-Q195 VanDerWaalsContact O-CD 3.25Å; E33-Q195 PolarHBondContact O-NE2 2.97Å; E33-Q195 PolarHBondContact O-OE1 3.42Å; P34-Q195 PolarHBondContact O-NE2 3.29Å; I191-Q195 WeakPolarHBondContact O-CB 3.41Å; I191-Q195 PolarHBondContact O-N 3.43Å; T192-Q195 PolarHBondContact O-N 2.74Å; Q195-K197 PolarHBondContact O-N 2.73Å; Q195-G199 PolarHBondContact O-N 3.05Å
196E74.4Confident82.8Confident135 Ų13579 Ų7963%0.63139%0.391SS*.Hα-helixtrans-60.6-32177.9-67.4175.1168.800112.9T192 S194T192-E196 PolarHBondContact O-N 2.97Å; S194-E196 VanDerWaalsContact C-N 3.34Å; S194-E196 PolarHBondContact O-N 3.47Å
197K76.8Confident82.9Confident176 Ų17678.7 Ų78.777%0.76539%0.387SS*.Hα-helixtrans-96.3-33.5-173.3-70.2-178.8-179.3-177.10114.5K193 S194 Q195K193-K197 WeakPolarHBondContact O-CG 3.4Å; K193-K197 PolarHBondContact O-N 3.38Å; S194-K197 PolarHBondContact O-N 3.11Å; S194-K197 VanDerWaalsContact O-N 3.15Å; Q195-K197 PolarHBondContact O-N 2.73Å
198Q69.9Low83Confident103 Ų10378.4 Ų78.448%0.48138%0.383SS..Hα-helixtrans-106.4-14.2-165-63.3-170.9-22.200113.8S194 E200 K201 F202S194-Q198 VanDerWaalsContact O-CB 3.23Å; S194-Q198 WeakPolarHBondContact O-CB 3.38Å; S194-Q198 WeakPolarHBondContact O-CG 3.37Å; S194-Q198 PolarHBondContact O-N 2.9Å; Q198-E200 PolarHBondContact O-N 2.83Å; Q198-K201 PolarHBondContact O-N 3.45Å; Q198-F202 HydrophobicContact CB-CB 4.27Å
199G69.6Low83.2Confident50 Ų5078.3 Ų78.352%0.51538%0.383SS..G310 helixtrans46.5-125175.900000112.7Q195 K201 F202Q195-G199 PolarHBondContact O-N 3.05Å; G199-K201 PolarHBondContact O-N 3.31Å; G199-F202 WeakPolarHBondContact O-CB 3.48Å; G199-F202 PolarHBondContact O-N 3.35Å
200E62.4Low83.5Confident167 Ų16775.8 Ų75.878%0.7837%0.371SS*.G310 helixtrans-59.3-16.1-177.3-61.9-175.8156.300115.5Q198 F202 T203Q198-E200 PolarHBondContact O-N 2.83Å; E200-F202 VanDerWaalsContact C-N 3.35Å; E200-T203 WeakPolarHBondContact O-CG2 3.45Å
201K69.5Low83.6Confident181 Ų18171 Ų7179%0.78735%0.352SS*.G310 helixtrans-84.4-11177.1-64.3-178.2-178.1176.70113.1Q198 G199 T203Q198-K201 PolarHBondContact O-N 3.45Å; G199-K201 PolarHBondContact O-N 3.31Å; K201-T203 VanDerWaalsContact C-N 3.25Å; K201-T203 PolarHBondContact O-N 2.93Å
202F82.7Confident83.7Confident21 Ų2180.4 Ų80.49%0.09239%0.392CS..  trans-82.667178.1-169.7-99.7000110.5I191 Q198 G199 E200 F205 L225I191-F202 HydrophobicContact CB-CZ 4.08Å; I191-F202 HydrophobicContact CG1-CZ 4.03Å; I191-F202 HydrophobicContact CG2-CE1 4.01Å; I191-F202 HydrophobicContact CG2-CZ 3.67Å; Q198-F202 HydrophobicContact CB-CB 4.27Å; G199-F202 WeakPolarHBondContact O-CB 3.48Å; G199-F202 PolarHBondContact O-N 3.35Å; E200-F202 VanDerWaalsContact C-N 3.35Å; F202-F205 AromaticContact CE1-CD1 3.62Å; F202-F205 HydrophobicContact CE1-CD1 3.62Å; F202-F205 HydrophobicContact CE1-CE1 4.1Å; F202-F205 HydrophobicContact CE1-CG 4.26Å; F202-F205 HydrophobicContact CE2-CB 4.09Å; F202-F205 HydrophobicContact CZ-CB 3.73Å; F202-F205 AromaticContact CZ-CD1 3.63Å; F202-F205 HydrophobicContact CZ-CD1 3.63Å; F202-F205 HydrophobicContact CZ-CE1 4.45Å; F202-F205 AromaticContact CZ-CG 3.8Å; F202-F205 HydrophobicContact CZ-CG 3.8Å; F202-L225 HydrophobicContact CD1-CD1 4.27Å; F202-L225 HydrophobicContact CE1-CD1 4.47Å; F202-L225 WeakPolarHBondContact O-CD1 3.43Å
203T86.4Confident83.9Confident38 Ų3886.3 Ų86.323%0.23341%0.409CS..  trans-101.7-19.2-178.961.10000113.6A38 E200 K201 S224 L225A38-T203 HydrophobicContact CB-CG2 3.71Å; E200-T203 WeakPolarHBondContact O-CG2 3.45Å; K201-T203 VanDerWaalsContact C-N 3.25Å; K201-T203 PolarHBondContact O-N 2.93Å; T203-S224 CarbonylContact O-C 3.53Å; T203-S224 WeakPolarHBondContact O-CA 3.32Å; T203-L225 PolarHBondContact O-N 3.03Å
204K88.9Confident84.2Confident96 Ų9681.5 Ų81.542%0.41739%0.388SS..EExtended strand (participates in β ladder)trans-134.5135.5-178.2-64.2-177.2-178.3-179.70110.6S223 S224K204-S223 WeakPolarHBondContact CA-O 3.33Å; K204-S224 WeakPolarHBondContact CE-OG 3.14Å
205F91.3Very high84.7Confident31 Ų3181.3 Ų81.314%0.13638%0.384CS..EExtended strand (participates in β ladder)trans-152.3159.6177.560.2-90.1000111.1I191 F202 L207 S223 L225I191-F205 HydrophobicContact CD1-CD2 3.47Å; I191-F205 VanDerWaalsContact CD1-CD2 3.47Å; I191-F205 HydrophobicContact CD1-CE2 3.89Å; I191-F205 HydrophobicContact CD1-CG 4.24Å; I191-F205 HydrophobicContact CG1-CB 4.27Å; I191-F205 HydrophobicContact CG1-CD2 3.96Å; I191-F205 HydrophobicContact CG1-CG 4.24Å; F202-F205 AromaticContact CE1-CD1 3.62Å; F202-F205 HydrophobicContact CE1-CD1 3.62Å; F202-F205 HydrophobicContact CE1-CE1 4.1Å; F202-F205 HydrophobicContact CE1-CG 4.26Å; F202-F205 HydrophobicContact CE2-CB 4.09Å; F202-F205 HydrophobicContact CZ-CB 3.73Å; F202-F205 AromaticContact CZ-CD1 3.63Å; F202-F205 HydrophobicContact CZ-CD1 3.63Å; F202-F205 HydrophobicContact CZ-CE1 4.45Å; F202-F205 AromaticContact CZ-CG 3.8Å; F202-F205 HydrophobicContact CZ-CG 3.8Å; F205-L207 HydrophobicContact CE2-CB 4.5Å; F205-S223 VanDerWaalsContact CE2-CB 3.5Å; F205-S223 PolarHBondContact N-O 3.23Å; F205-S223 VanDerWaalsContact N-O 3.11Å; F205-S223 PolarHBondContact O-N 3.49Å; F205-L225 HydrophobicContact CE1-CD1 4.02Å; F205-L225 HydrophobicContact CE1-CD2 4.01Å; F205-L225 HydrophobicContact CE1-CG 3.95Å
206Y91.8Very high85.4Confident59 Ų5980.7 Ų80.723%0.23138%0.38CS..EExtended strand (participates in β ladder)trans-104.4129177.5172-124.2000110.5P208 Q220 W233Y206-P208 HydrophobicContact CD1-CG 4.35Å; Y206-P208 HydrophobicContact CE1-CB 4.37Å; Y206-P208 HydrophobicContact CE1-CG 3.7Å; Y206-Q220 HydrophobicContact CE2-CB 4.1Å; Y206-Q220 PolarHBondContact OH-OE1 3.21Å; Y206-W233 AromaticContact CD2-CH2 3.55Å; Y206-W233 HydrophobicContact CD2-CH2 3.55Å; Y206-W233 AromaticContact CD2-CZ2 3.68Å; Y206-W233 HydrophobicContact CD2-CZ2 3.68Å; Y206-W233 AromaticContact CE2-CH2 3.83Å; Y206-W233 HydrophobicContact CE2-CH2 3.83Å; Y206-W233 AromaticContact CE2-CZ2 3.49Å; Y206-W233 HydrophobicContact CE2-CZ2 3.49Å; Y206-W233 VanDerWaalsContact CE2-CZ2 3.49Å; Y206-W233 HydrophobicContact CG-CH2 4.2Å; Y206-W233 HydrophobicContact CG-CZ2 4.32Å; Y206-W233 AromaticContact CZ-CZ2 3.96Å
207L94.5Very high86.3Confident61 Ų6178.9 Ų78.932%0.31937%0.37SS..  trans-123110.5172.4-167.870.9000108.5L184 A187 L188 I191 F205 N209L184-L207 HydrophobicContact CD1-CD1 3.3Å; L184-L207 HydrophobicContact CD1-CD2 4.36Å; L184-L207 HydrophobicContact CD1-CG 3.58Å; A187-L207 HydrophobicContact CB-CD1 4.48Å; L188-L207 HydrophobicContact CD2-CD1 3.67Å; L188-L207 HydrophobicContact CG-CD1 4.08Å; I191-L207 HydrophobicContact CD1-CD1 3.97Å; F205-L207 HydrophobicContact CE2-CB 4.5Å; L207-N209 PolarHBondContact O-N 2.9Å
208P95Very high87.1Confident5 Ų573 Ų733%0.03235%0.35CS..  trans-57.8128.3-177.4-2430.8000112.7E183 A187 Y206 C210E183-P208 HydrophobicContact CB-CG 4.22Å; E183-P208 HydrophobicContact CG-CG 3.86Å; A187-P208 HydrophobicContact CB-CG 4.46Å; Y206-P208 HydrophobicContact CD1-CG 4.35Å; Y206-P208 HydrophobicContact CE1-CB 4.37Å; Y206-P208 HydrophobicContact CE1-CG 3.7Å; P208-C210 PolarHBondContact O-N 2.78Å
209N94.9Very high88Confident81 Ų8171.7 Ų71.743%0.43334%0.343SS..  trans-86.9109.3174-171.5-1.2000109.6L207 K217 Q220L207-N209 PolarHBondContact O-N 2.9Å; N209-K217 HydrophobicContact CB-CB 4.27Å; N209-K217 HydrophobicContact CB-CG 4.49Å; N209-K217 WeakPolarHBondContact O-CB 3.24Å; N209-K217 PolarHBondContact O-N 3.31Å; N209-Q220 PolarHBondContact O-NE2 3.2Å
210C94.7Very high89.2Confident21 Ų2169.3 Ų69.314%0.14232%0.318CS..BIsolated β-bridgetrans-105.4151.6-175.5-50.10000112.3C180 H181 P208 L215C180-C210 HydrophobicContact CB-CB 3.82Å; C180-C210 WeakPolarHBondContact CB-SG 3.2Å; C180-C210 PolarHBondContact O-SG 3.38Å; C180-C210 VanDerWaalsContact O-SG 3.34Å; C180-C210 WeakPolarHBondContact SG-CA 3.21Å; C180-C210 WeakPolarHBondContact SG-CB 3.47Å; C180-C210 CovalentContact SG-SG 2.04Å; C180-C210 PolarHBondContact SG-SG 2.98Å; H181-C210 VanDerWaalsContact CD2-CB 3.49Å; H181-C210 WeakPolarHBondContact CD2-CB 3.37Å; P208-C210 PolarHBondContact O-N 2.78Å; C210-L215 CarbonylContact C-O 3.54Å; C210-L215 VanDerWaalsContact CA-O 3.3Å; C210-L215 WeakPolarHBondContact CA-O 3.39Å
211D92.5Very high90.5Very high32 Ų3263.5 Ų63.517%0.17130%0.296CS..  trans-83177.1167.483.80000111.6R213 G214 L215D211-R213 PolarHBondContact O-N 3.43Å; D211-R213 VanDerWaalsContact O-N 3.13Å; D211-R213 WeakPolarHBondContact OD1-CA 3.48Å; D211-R213 WeakPolarHBondContact OD1-CB 3.39Å; D211-R213 PolarHBondContact OD1-N 2.91Å; D211-R213 IonicContact OD2-CZ 3.49Å; D211-R213 IonicContact OD2-NE 3.22Å; D211-R213 PolarHBondContact OD2-NE 2.68Å; D211-R213 IonicContact OD2-NH2 2.88Å; D211-R213 PolarHBondContact OD2-NH2 3.02Å; D211-G214 WeakPolarHBondContact O-CA 3.39Å; D211-G214 PolarHBondContact O-N 3.08Å; D211-G214 PolarHBondContact OD1-N 2.92Å; D211-L215 PolarHBondContact N-O 2.73Å; D211-L215 PolarHBondContact OD1-N 2.91Å
212K89.6Confident91.6Very high212 Ų21257 Ų5792%0.92227%0.269SS*.THydrogen-bonded Turntrans-64.7-16-178.4-61.9-178.1179.6-177.50114.1
213R88.9Confident92Very high176 Ų17658.1 Ų58.166%0.66428%0.278SS*.THydrogen-bonded Turntrans-97.62.9176.4-57.8172.2-64.7-154.80.3111.3D211 L215D211-R213 PolarHBondContact O-N 3.43Å; D211-R213 VanDerWaalsContact O-N 3.13Å; D211-R213 WeakPolarHBondContact OD1-CA 3.48Å; D211-R213 WeakPolarHBondContact OD1-CB 3.39Å; D211-R213 PolarHBondContact OD1-N 2.91Å; D211-R213 IonicContact OD2-CZ 3.49Å; D211-R213 IonicContact OD2-NE 3.22Å; D211-R213 PolarHBondContact OD2-NE 2.68Å; D211-R213 IonicContact OD2-NH2 2.88Å; D211-R213 PolarHBondContact OD2-NH2 3.02Å; R213-L215 VanDerWaalsContact C-N 3.29Å; R213-L215 PolarHBondContact O-N 2.93Å
214G91.3Very high92.2Very high0 Ų057.4 Ų57.40%028%0.275CS..SBendtrans58.635.2-173.100000114.9Q177 G178 C180 D211Q177-G214 WeakPolarHBondContact O-CA 3.23Å; G178-G214 CarbonylContact C-O 3.48Å; G178-G214 VanDerWaalsContact C-O 3.28Å; G178-G214 WeakPolarHBondContact CA-O 3.32Å; C180-G214 WeakPolarHBondContact CB-O 3.42Å; C180-G214 PolarHBondContact N-O 3.48Å; D211-G214 WeakPolarHBondContact O-CA 3.39Å; D211-G214 PolarHBondContact O-N 3.08Å; D211-G214 PolarHBondContact OD1-N 2.92Å
215L93.8Very high92.2Very high32 Ų3253.9 Ų53.917%0.16826%0.261CS..PPolyproline II helixtrans-87.3162.2159.1-63.6179000109.9P179 C210 D211 R213 T237 W238P179-L215 HydrophobicContact CG-CD2 4.14Å; C210-L215 CarbonylContact C-O 3.54Å; C210-L215 VanDerWaalsContact CA-O 3.3Å; C210-L215 WeakPolarHBondContact CA-O 3.39Å; D211-L215 PolarHBondContact N-O 2.73Å; D211-L215 PolarHBondContact OD1-N 2.91Å; R213-L215 VanDerWaalsContact C-N 3.29Å; R213-L215 PolarHBondContact O-N 2.93Å; L215-T237 WeakPolarHBondContact CB-O 3.34Å; L215-W238 HydrophobicContact CD2-CE3 3.86Å; L215-W238 HydrophobicContact CD2-CZ3 4.27Å
216Y94.4Very high92.1Very high17 Ų1754.3 Ų54.37%0.06726%0.264CS..BIsolated β-bridgetrans-73136.7179.1-61.2-92.8000110.4P179 C180 E183 T237 G240P179-Y216 HydrophobicContact CB-CE2 4.12Å; P179-Y216 HydrophobicContact CG-CE2 4.17Å; C180-Y216 HydrophobicContact CB-CD1 3.72Å; C180-Y216 HydrophobicContact CB-CD2 3.89Å; C180-Y216 HydrophobicContact CB-CE1 3.78Å; C180-Y216 HydrophobicContact CB-CE2 3.93Å; C180-Y216 HydrophobicContact CB-CG 3.79Å; C180-Y216 VanDerWaalsContact SG-CD1 3.5Å; E183-Y216 WeakPolarHBondContact OE2-CE1 3.41Å; E183-Y216 VanDerWaalsContact OE2-CZ 3.23Å; E183-Y216 PolarHBondContact OE2-OH 3.37Å; Y216-T237 PolarHBondContact N-O 3.33Å; Y216-T237 WeakPolarHBondContact O-CA 3.32Å; Y216-T237 WeakPolarHBondContact O-CB 3.43Å; Y216-G240 VanDerWaalsContact CD2-N 3.32Å
217K93.8Very high91.7Very high97 Ų9753.3 Ų53.342%0.42227%0.273SS..PPolyproline II helixtrans-66.7144.6161.7-70.2-114-178.9-176.50109.2N209 K219 Q220 V235N209-K217 HydrophobicContact CB-CB 4.27Å; N209-K217 HydrophobicContact CB-CG 4.49Å; N209-K217 WeakPolarHBondContact O-CB 3.24Å; N209-K217 PolarHBondContact O-N 3.31Å; K217-K219 VanDerWaalsContact C-N 3.27Å; K217-K219 PolarHBondContact O-N 3Å; K217-Q220 PolarHBondContact O-NE2 3.2Å; K217-V235 WeakPolarHBondContact O-CG2 3.43Å
218P92.4Very high91.2Very high53 Ų5353.9 Ų53.934%0.34427%0.273SS..SBendtrans-55.5-41.1-179.2-28.334.8000113.2C234 V235 T237 C254P218-C234 CarbonylContact O-C 3.56Å; P218-C234 VanDerWaalsContact O-CA 3.24Å; P218-C234 WeakPolarHBondContact O-CA 3.27Å; P218-V235 PolarHBondContact O-N 3.11Å; P218-T237 HydrophobicContact CG-CG2 3.87Å; P218-C254 VanDerWaalsContact C-SG 3.59Å; P218-C254 HydrophobicContact CB-CB 3.6Å; P218-C254 PolarHBondContact O-SG 3.42Å
219K90.8Very high90.7Very high75 Ų7561.9 Ų61.933%0.32631%0.308SS..EExtended strand (participates in β ladder)trans-94.7124.3177.9-170.6164.365.9179.90111.7K217 C232 A250K217-K219 VanDerWaalsContact C-N 3.27Å; K217-K219 PolarHBondContact O-N 3Å; K219-C232 HydrophobicContact CG-CB 4.44Å; K219-A250 PolarHBondContact NZ-O 3.45Å
220Q92.8Very high90.2Very high0 Ų059 Ų590%030%0.298CS..EExtended strand (participates in β ladder)trans-116.7147.6175.1-62.8-59.1-40.200109.5Y206 N209 K217 C232 W233 V235Y206-Q220 HydrophobicContact CE2-CB 4.1Å; Y206-Q220 PolarHBondContact OH-OE1 3.21Å; N209-Q220 PolarHBondContact O-NE2 3.2Å; K217-Q220 PolarHBondContact O-NE2 3.2Å; Q220-C232 CarbonylContact O-C 3.5Å; Q220-C232 WeakPolarHBondContact O-CA 3.32Å; Q220-C232 WeakPolarHBondContact O-CB 3.33Å; Q220-W233 HydrophobicContact CB-CD2 4.15Å; Q220-W233 HydrophobicContact CB-CG 4.46Å; Q220-W233 HydrophobicContact CB-CZ2 3.88Å; Q220-W233 PolarHBondContact N-O 3.39Å; Q220-W233 PolarHBondContact O-N 3.07Å; Q220-V235 HydrophobicContact CB-CG1 4.37Å; Q220-V235 HydrophobicContact CG-CB 4.34Å; Q220-V235 HydrophobicContact CG-CG1 3.76Å; Q220-V235 HydrophobicContact CG-CG2 3.58Å
221C91.6Very high89.9Confident45 Ų4564.8 Ų64.830%0.30432%0.316SS..EExtended strand (participates in β ladder)trans-142.1149.5179.8-57.90000111.6R231 C232C221-R231 CarbonylContact C-O 3.28Å; C221-R231 VanDerWaalsContact CA-O 3.22Å; C221-R231 WeakPolarHBondContact CA-O 3.23Å; C221-C232 HydrophobicContact CB-CB 4.12Å; C221-C232 WeakPolarHBondContact CB-SG 3.49Å; C221-C232 WeakPolarHBondContact SG-CB 3.48Å; C221-C232 CovalentContact SG-SG 2.05Å; C221-C232 PolarHBondContact SG-SG 3.02Å
222E91.9Very high89.8Confident46 Ų4663.7 Ų63.722%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-71.3145.6164.2-83169.5175.400110.7G230 R231 W233E222-G230 WeakPolarHBondContact O-CA 3.3Å; E222-R231 PolarHBondContact N-O 2.96Å; E222-R231 IonicContact OE1-CZ 2.68Å; E222-R231 IonicContact OE1-NE 2.99Å; E222-R231 IonicContact OE1-NH2 3.4Å; E222-R231 PolarHBondContact OE1-NH2 2.69Å; E222-R231 IonicContact OE2-CZ 3.79Å; E222-R231 IonicContact OE2-NE 3.39Å; E222-R231 PolarHBondContact OE2-NE 2.96Å; E222-R231 IonicContact OE2-NH2 3.72Å; E222-R231 PolarHBondContact OE2-NH2 3.39Å; E222-W233 HydrophobicContact CG-CH2 4.12Å; E222-W233 HydrophobicContact CG-CZ3 3.95Å
223S90.5Very high89.8Confident43 Ų4356 Ų5630%0.30128%0.276SS..EExtended strand (participates in β ladder)trans-91.6142.6166.7-62.50000109.7K204 F205K204-S223 WeakPolarHBondContact CA-O 3.33Å; F205-S223 VanDerWaalsContact CE2-CB 3.5Å; F205-S223 PolarHBondContact N-O 3.23Å; F205-S223 VanDerWaalsContact N-O 3.11Å; F205-S223 PolarHBondContact O-N 3.49Å
224S90.2Very high89.9Confident24 Ų2448.1 Ų48.117%0.16825%0.248CC..EExtended strand (participates in β ladder)trans-128.5135.2179.7-140.40000110.9T203 K204 D226 Q228T203-S224 CarbonylContact O-C 3.53Å; T203-S224 WeakPolarHBondContact O-CA 3.32Å; K204-S224 WeakPolarHBondContact CE-OG 3.14Å; S224-D226 WeakPolarHBondContact CB-OD1 3.4Å; S224-D226 PolarHBondContact OG-OD1 3.17Å; S224-Q228 WeakPolarHBondContact CB-O 3.33Å
225L90.4Very high90Very high21 Ų2148.1 Ų48.111%0.1125%0.248CC..SBendtrans-102-0.3178.5-58.3-178.4000112.6I35 C37 A38 C64 F202 T203 F205I35-L225 HydrophobicContact CG2-CD1 3.65Å; I35-L225 HydrophobicContact CG2-CD2 3.59Å; I35-L225 HydrophobicContact CG2-CG 4.3Å; C37-L225 CarbonylContact C-O 3.53Å; C37-L225 WeakPolarHBondContact CA-O 3.49Å; A38-L225 PolarHBondContact N-O 3.44Å; C64-L225 VanDerWaalsContact CB-O 3.23Å; C64-L225 WeakPolarHBondContact CB-O 3.05Å; C64-L225 PolarHBondContact SG-O 2.91Å; C64-L225 VanDerWaalsContact SG-O 3.32Å; F202-L225 HydrophobicContact CD1-CD1 4.27Å; F202-L225 HydrophobicContact CE1-CD1 4.47Å; F202-L225 WeakPolarHBondContact O-CD1 3.43Å; T203-L225 PolarHBondContact O-N 3.03Å; F205-L225 HydrophobicContact CE1-CD1 4.02Å; F205-L225 HydrophobicContact CE1-CD2 4.01Å; F205-L225 HydrophobicContact CE1-CG 3.95Å
226D88Confident89.9Confident40 Ų4049.4 Ų49.421%0.21426%0.255CS..SBendtrans-100.59.2179.663.2-0.2000113.1A38 S224 Q228A38-D226 HydrophobicContact CB-CB 4.25Å; S224-D226 WeakPolarHBondContact CB-OD1 3.4Å; S224-D226 PolarHBondContact OG-OD1 3.17Å; D226-Q228 PolarHBondContact O-N 2.96Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.35Å; D226-Q228 WeakPolarHBondContact OD1-CG 3.44Å; D226-Q228 PolarHBondContact OD1-N 3.13Å
227G84.7Confident89.8Confident39 Ų3951.8 Ų51.840%0.40227%0.271SS..SBendtrans79.2-3.7-178.900000114.5C64C64-G227 WeakPolarHBondContact O-CA 3.41Å; C64-G227 PolarHBondContact O-N 3.33Å
228Q84.2Confident89.5Confident72 Ų7255.6 Ų55.634%0.33628%0.283SS..PPolyproline II helixtrans-74.4148.5174.2-59.8-153.5-63.900111.6S224 D226 G230S224-Q228 WeakPolarHBondContact CB-O 3.33Å; D226-Q228 PolarHBondContact O-N 2.96Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.35Å; D226-Q228 WeakPolarHBondContact OD1-CG 3.44Å; D226-Q228 PolarHBondContact OD1-N 3.13Å; Q228-G230 PolarHBondContact O-N 3.38Å
229K83.3Confident89.3Confident174 Ų17456.4 Ų56.476%0.75729%0.285SS*.PPolyproline II helixtrans-66.3125.6167.1-69.5-174.3179.8-178.80108.8
230G84.4Confident89.2Confident21 Ų2153.9 Ų53.922%0.21628%0.28CS..PPolyproline II helixtrans-66.3157172.600000111.6E222 Q228E222-G230 WeakPolarHBondContact O-CA 3.3Å; Q228-G230 PolarHBondContact O-N 3.38Å
231R87.9Confident89.1Confident141 Ų14160.9 Ų60.953%0.53231%0.31SS..PPolyproline II helixtrans-70.9143.4175-65.7177.8-67.8-177.35.4109.7C221 E222 W233C221-R231 CarbonylContact C-O 3.28Å; C221-R231 VanDerWaalsContact CA-O 3.22Å; C221-R231 WeakPolarHBondContact CA-O 3.23Å; E222-R231 PolarHBondContact N-O 2.96Å; E222-R231 IonicContact OE1-CZ 2.68Å; E222-R231 IonicContact OE1-NE 2.99Å; E222-R231 IonicContact OE1-NH2 3.4Å; E222-R231 PolarHBondContact OE1-NH2 2.69Å; E222-R231 IonicContact OE2-CZ 3.79Å; E222-R231 IonicContact OE2-NE 3.39Å; E222-R231 PolarHBondContact OE2-NE 2.96Å; E222-R231 IonicContact OE2-NH2 3.72Å; E222-R231 PolarHBondContact OE2-NH2 3.39Å; R231-W233 WeakPolarHBondContact O-CZ3 3.41Å
232C90.3Very high89Confident9 Ų963.2 Ų63.26%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-123.3146.5177.2-62.60000111.1K219 Q220 C221 L248K219-C232 HydrophobicContact CG-CB 4.44Å; Q220-C232 CarbonylContact O-C 3.5Å; Q220-C232 WeakPolarHBondContact O-CA 3.32Å; Q220-C232 WeakPolarHBondContact O-CB 3.33Å; C221-C232 HydrophobicContact CB-CB 4.12Å; C221-C232 WeakPolarHBondContact CB-SG 3.49Å; C221-C232 WeakPolarHBondContact SG-CB 3.48Å; C221-C232 CovalentContact SG-SG 2.05Å; C221-C232 PolarHBondContact SG-SG 3.02Å; C232-L248 PolarHBondContact O-N 3.39Å; C232-L248 VanDerWaalsContact O-N 3.1Å
233W90.5Very high88.4Confident52 Ų5265.5 Ų65.520%0.19733%0.332CS..EExtended strand (participates in β ladder)trans-145.2162.4-179.762.893.2000112Y206 Q220 E222 R231 L242Y206-W233 AromaticContact CD2-CH2 3.55Å; Y206-W233 HydrophobicContact CD2-CH2 3.55Å; Y206-W233 AromaticContact CD2-CZ2 3.68Å; Y206-W233 HydrophobicContact CD2-CZ2 3.68Å; Y206-W233 AromaticContact CE2-CH2 3.83Å; Y206-W233 HydrophobicContact CE2-CH2 3.83Å; Y206-W233 AromaticContact CE2-CZ2 3.49Å; Y206-W233 HydrophobicContact CE2-CZ2 3.49Å; Y206-W233 VanDerWaalsContact CE2-CZ2 3.49Å; Y206-W233 HydrophobicContact CG-CH2 4.2Å; Y206-W233 HydrophobicContact CG-CZ2 4.32Å; Y206-W233 AromaticContact CZ-CZ2 3.96Å; Q220-W233 HydrophobicContact CB-CD2 4.15Å; Q220-W233 HydrophobicContact CB-CG 4.46Å; Q220-W233 HydrophobicContact CB-CZ2 3.88Å; Q220-W233 PolarHBondContact N-O 3.39Å; Q220-W233 PolarHBondContact O-N 3.07Å; E222-W233 HydrophobicContact CG-CH2 4.12Å; E222-W233 HydrophobicContact CG-CZ3 3.95Å; R231-W233 WeakPolarHBondContact O-CZ3 3.41Å; W233-L242 HydrophobicContact CB-CD1 3.62Å; W233-L242 VanDerWaalsContact CD1-CD1 3.43Å; W233-L242 HydrophobicContact CG-CD1 3.76Å
234C91.9Very high87.1Confident9 Ų966.9 Ų66.96%0.06134%0.342CS..EExtended strand (participates in β ladder)trans-99.1134.9176.8-62.60000112.5P218 L242 L243 L248 C254P218-C234 CarbonylContact O-C 3.56Å; P218-C234 VanDerWaalsContact O-CA 3.24Å; P218-C234 WeakPolarHBondContact O-CA 3.27Å; C234-L242 WeakPolarHBondContact O-CA 3.4Å; C234-L243 PolarHBondContact O-N 3.04Å; C234-L248 HydrophobicContact CB-CD1 4.45Å; C234-L248 WeakPolarHBondContact SG-CD1 3.33Å; C234-C254 VanDerWaalsContact CA-SG 3.53Å; C234-C254 HydrophobicContact CB-CB 3.89Å; C234-C254 WeakPolarHBondContact CB-SG 3.46Å; C234-C254 WeakPolarHBondContact SG-CA 3.38Å; C234-C254 WeakPolarHBondContact SG-CB 3.25Å; C234-C254 CovalentContact SG-SG 2.03Å; C234-C254 PolarHBondContact SG-SG 3.02Å
235V92.1Very high85.6Confident1 Ų171 Ų711%0.00637%0.371CS..BIsolated β-bridgetrans-123.3156178.7-57.10000111.8K217 P218 Q220 G240 K241 L243K217-V235 WeakPolarHBondContact O-CG2 3.43Å; P218-V235 PolarHBondContact O-N 3.11Å; Q220-V235 HydrophobicContact CB-CG1 4.37Å; Q220-V235 HydrophobicContact CG-CB 4.34Å; Q220-V235 HydrophobicContact CG-CG1 3.76Å; Q220-V235 HydrophobicContact CG-CG2 3.58Å; V235-G240 WeakPolarHBondContact CG1-O 3.39Å; V235-K241 CarbonylContact C-O 3.5Å; V235-K241 VanDerWaalsContact CA-O 3.27Å; V235-K241 WeakPolarHBondContact CA-O 3.36Å; V235-L243 WeakPolarHBondContact O-CD1 3.33Å
236N91.9Very high84Confident58 Ų5872.9 Ų72.931%0.3139%0.385SS..  trans-69.3130.1167.3-178.9-48.4000109.5W238 N239 G240 K241 L243N236-W238 PolarHBondContact O-N 3.1Å; N236-W238 PolarHBondContact OD1-N 2.85Å; N236-N239 WeakPolarHBondContact CB-OD1 3.4Å; N236-N239 PolarHBondContact O-N 3.08Å; N236-G240 WeakPolarHBondContact O-CA 3.43Å; N236-G240 PolarHBondContact O-N 2.83Å; N236-K241 PolarHBondContact N-O 3.28Å; N236-L243 HydrophobicContact CB-CD2 4.02Å; N236-L243 HydrophobicContact CB-CG 4.34Å
237T92.1Very high82.7Confident68 Ų6876.6 Ų76.642%0.41741%0.406SS..THydrogen-bonded Turntrans-60.7-29.1-173.955.90000113.9L215 Y216 P218L215-T237 WeakPolarHBondContact CB-O 3.34Å; Y216-T237 PolarHBondContact N-O 3.33Å; Y216-T237 WeakPolarHBondContact O-CA 3.32Å; Y216-T237 WeakPolarHBondContact O-CB 3.43Å; P218-T237 HydrophobicContact CG-CG2 3.87Å
238W88.1Confident81.6Confident176 Ų17677 Ų7767%0.66740%0.398SS*.THydrogen-bonded Turntrans-84.8-39.9-175.8172.6-99.8000113.5P179 L215 N236P179-W238 WeakPolarHBondContact CG-O 3.45Å; L215-W238 HydrophobicContact CD2-CE3 3.86Å; L215-W238 HydrophobicContact CD2-CZ3 4.27Å; N236-W238 PolarHBondContact O-N 3.1Å; N236-W238 PolarHBondContact OD1-N 2.85Å
239N87.8Confident80.7Confident71 Ų7178 Ų7838%0.3841%0.411SS..THydrogen-bonded Turntrans-123.10.8-170.366.317.5000114.7N236 K241N236-N239 WeakPolarHBondContact CB-OD1 3.4Å; N236-N239 PolarHBondContact O-N 3.08Å; N239-K241 PolarHBondContact O-N 3.04Å; N239-K241 VanDerWaalsContact O-N 3.11Å; N239-K241 VanDerWaalsContact OD1-CB 3.27Å; N239-K241 WeakPolarHBondContact OD1-CB 3.29Å; N239-K241 WeakPolarHBondContact OD1-CG 3.32Å; N239-K241 PolarHBondContact OD1-N 3.02Å
240G89.1Confident79.5Confident21 Ų2171.3 Ų71.322%0.21639%0.388CS..  trans68.76178.600000114.5Y216 V235 N236Y216-G240 VanDerWaalsContact CD2-N 3.32Å; V235-G240 WeakPolarHBondContact CG1-O 3.39Å; N236-G240 WeakPolarHBondContact O-CA 3.43Å; N236-G240 PolarHBondContact O-N 2.83Å
241K90.7Very high78.3Confident147 Ų14777.1 Ų77.164%0.63941%0.414SS*.  trans-72.2137.7179.6-70.7-170.9174.4-173.70111V235 N236 N239 L243V235-K241 CarbonylContact C-O 3.5Å; V235-K241 VanDerWaalsContact CA-O 3.27Å; V235-K241 WeakPolarHBondContact CA-O 3.36Å; N236-K241 PolarHBondContact N-O 3.28Å; N239-K241 PolarHBondContact O-N 3.04Å; N239-K241 VanDerWaalsContact O-N 3.11Å; N239-K241 VanDerWaalsContact OD1-CB 3.27Å; N239-K241 WeakPolarHBondContact OD1-CB 3.29Å; N239-K241 WeakPolarHBondContact OD1-CG 3.32Å; N239-K241 PolarHBondContact OD1-N 3.02Å; K241-L243 PolarHBondContact O-N 3.23Å
242L88.5Confident77.4Confident94 Ų9471.6 Ų71.649%0.49240%0.399SS..BIsolated β-bridgetrans-56.5128.1176.3-169.770.4000111.1W233 C234 S244W233-L242 HydrophobicContact CB-CD1 3.62Å; W233-L242 VanDerWaalsContact CD1-CD1 3.43Å; W233-L242 HydrophobicContact CG-CD1 3.76Å; C234-L242 WeakPolarHBondContact O-CA 3.4Å; L242-S244 WeakPolarHBondContact CD1-O 3.46Å; L242-S244 WeakPolarHBondContact CG-O 3.25Å
243L80.1Confident76.6Confident95 Ų9579.9 Ų79.950%0.49744%0.436SS..SBendtrans-86.4-27.5178.8-71.8171.5000112.7C234 V235 N236 K241C234-L243 PolarHBondContact O-N 3.04Å; V235-L243 WeakPolarHBondContact O-CD1 3.33Å; N236-L243 HydrophobicContact CB-CD2 4.02Å; N236-L243 HydrophobicContact CB-CG 4.34Å; K241-L243 PolarHBondContact O-N 3.23Å
244S63.1Low76.2Confident71 Ų7178.5 Ų78.550%0.49743%0.434SS..  trans-159147.7171.3-177.70000110.4L242 S246L242-S244 WeakPolarHBondContact CD1-O 3.46Å; L242-S244 WeakPolarHBondContact CG-O 3.25Å; S244-S246 PolarHBondContact O-N 3.42Å; S244-S246 PolarHBondContact OG-OG 3.48Å
245S57.8Low75.3Confident112 Ų11285.8 Ų85.878%0.78348%0.482SS*.  trans-74.725.2-177.5-177.20000114.6
246S57.3Low74.4Confident59 Ų5990 Ų9041%0.41351%0.505SS..  trans-94.2116.6-175.4-41.20000109.4S244 L248S244-S246 PolarHBondContact O-N 3.42Å; S244-S246 PolarHBondContact OG-OG 3.48Å; S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 2.98Å
247D61.4Low73.5Confident119 Ų11991.7 Ų91.764%0.63652%0.516SS*.  trans-54.8103.7158.1-76.7-46.1000106.7
248L62Low72.5Confident47 Ų4793 Ų9325%0.24652%0.521CS..BIsolated β-bridgetrans-82.7139-179.1-75.8179.6000109C232 C234 S246 A250 A252C232-L248 PolarHBondContact O-N 3.39Å; C232-L248 VanDerWaalsContact O-N 3.1Å; C234-L248 HydrophobicContact CB-CD1 4.45Å; C234-L248 WeakPolarHBondContact SG-CD1 3.33Å; S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 2.98Å; L248-A250 PolarHBondContact O-N 3.08Å; L248-A252 HydrophobicContact CB-CB 3.98Å; L248-A252 HydrophobicContact CD1-CB 4.17Å; L248-A252 HydrophobicContact CD2-CB 3.99Å; L248-A252 HydrophobicContact CG-CB 4.28Å
249P63.5Low71.5Confident92 Ų9288.1 Ų88.160%0.59751%0.513SS*.  trans-49.8142.5161.4-2231.8000109.3D251 A252P249-D251 PolarHBondContact O-N 2.99Å; P249-A252 WeakPolarHBondContact O-CB 3.24Å; P249-A252 PolarHBondContact O-N 3.43Å
250A58.5Low70.5Confident35 Ų3589.2 Ų89.229%0.28952%0.521SS..THydrogen-bonded Turntrans-52.9-25.1-175.700000113.8K219 L248K219-A250 PolarHBondContact NZ-O 3.45Å; L248-A250 PolarHBondContact O-N 3.08Å
251D59.9Low69.3Low143 Ų14393.7 Ų93.777%0.76554%0.541SS*.THydrogen-bonded Turntrans-95.7-0.8-176.6-53.6-47.3000114.2P249P249-D251 PolarHBondContact O-N 2.99Å
252A68.2Low67.8Low25 Ų2589.9 Ų89.921%0.20753%0.534CS..PPolyproline II helixtrans-70.4138.5175.700000111.2L248 P249L248-A252 HydrophobicContact CB-CB 3.98Å; L248-A252 HydrophobicContact CD1-CB 4.17Å; L248-A252 HydrophobicContact CD2-CB 3.99Å; L248-A252 HydrophobicContact CG-CB 4.28Å; P249-A252 WeakPolarHBondContact O-CB 3.24Å; P249-A252 PolarHBondContact O-N 3.43Å
253E74.6Confident66.2Low182 Ų18289.6 Ų89.685%0.8554%0.538SS*.PPolyproline II helixtrans-81136.8172.1-148.989.8-138.500108.9
254C82.6Confident65Low23 Ų2389.2 Ų89.216%0.15554%0.541CS..PPolyproline II helixtrans-78.2141170.6-720000109.9P218 C234P218-C254 VanDerWaalsContact C-SG 3.59Å; P218-C254 HydrophobicContact CB-CB 3.6Å; P218-C254 PolarHBondContact O-SG 3.42Å; C234-C254 VanDerWaalsContact CA-SG 3.53Å; C234-C254 HydrophobicContact CB-CB 3.89Å; C234-C254 WeakPolarHBondContact CB-SG 3.46Å; C234-C254 WeakPolarHBondContact SG-CA 3.38Å; C234-C254 WeakPolarHBondContact SG-CB 3.25Å; C234-C254 CovalentContact SG-SG 2.03Å; C234-C254 PolarHBondContact SG-SG 3.02Å
255P71.3Confident65.2Low162 Ų16290.8 Ų90.8100%1.05255%0.545SS*.  trans-640175.327.8-33.8000112.9

Retrieved 255 of 255 residues in 50.5 ms (Link to these results)