X5D7N0_HUMAN Loading...

Protocadherin 9 isoform A

Potential calcium-dependent cell-adhesion protein.

AlphaFold DB (Q9HC56), UniProt , Accession X5D7N0, Species HUMAN (Homo sapiens, Human), Gene PCDH9, Length 1,237 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M46.5Very low59.9Low192 Ų192123.5 Ų123.595%0.94661%0.61SS**  057.30-41.3-149.6158.500110.6D5M1-D5 WeakPolarHBondContact CA-OD2 3.18Å; M1-D5 HydrophobicContact CB-CB 3.74Å; M1-D5 HydrophobicContact CE-CB 3.96Å; M1-D5 HydrophobicContact CG-CB 3.51Å; M1-D5 WeakPolarHBondContact CG-OD2 3.46Å; M1-D5 PolarHBondContact N-OD2 3.48Å; M1-D5 HydrophobicContact SD-CB 3.86Å
2D60.1Low59.3Low134 Ų134122.1 Ų122.172%0.71761%0.606SS**  cis56.2133.727.2-152-11.5000113.8R4 D5D2-R4 VanDerWaalsContact C-N 3.25Å; D2-R4 PolarHBondContact O-N 3.08Å; D2-R4 VanDerWaalsContact O-N 3.16Å; D2-D5 PolarHBondContact O-N 2.92Å
3L59.8Low59.2Low138 Ų138119.8 Ų119.872%0.72360%0.596SS**Hα-helixtrans-64.7-29.4-159.5-126.978.5000113.2D5 F6 Y7L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 2.96Å; L3-F6 PolarHBondContact O-N 3.3Å; L3-Y7 WeakPolarHBondContact O-CD2 3.46Å
4R58.7Low59Low208 Ų208114.9 Ų114.979%0.78558%0.583SS**Hα-helixtrans-68.2-33.5-177-156.6176.1-168.3-177.12.5112.5D2 Y7 L8D2-R4 VanDerWaalsContact C-N 3.25Å; D2-R4 PolarHBondContact O-N 3.08Å; D2-R4 VanDerWaalsContact O-N 3.16Å; R4-Y7 PolarHBondContact O-N 3.44Å; R4-L8 PolarHBondContact O-N 3.22Å
5D56.8Low58.3Low49 Ų49114 Ų11426%0.26259%0.59SS.*Hα-helixtrans-76.1-27.7-178.2-55.4-57.8000112M1 D2 L3 Y7 L8 L9M1-D5 WeakPolarHBondContact CA-OD2 3.18Å; M1-D5 HydrophobicContact CB-CB 3.74Å; M1-D5 HydrophobicContact CE-CB 3.96Å; M1-D5 HydrophobicContact CG-CB 3.51Å; M1-D5 WeakPolarHBondContact CG-OD2 3.46Å; M1-D5 PolarHBondContact N-OD2 3.48Å; M1-D5 HydrophobicContact SD-CB 3.86Å; D2-D5 PolarHBondContact O-N 2.92Å; L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 2.96Å; D5-Y7 VanDerWaalsContact C-N 3.3Å; D5-Y7 PolarHBondContact O-N 2.97Å; D5-L8 PolarHBondContact O-N 3.15Å; D5-L9 WeakPolarHBondContact O-CB 3.45Å; D5-L9 PolarHBondContact O-N 3.47Å
6F69.7Low57.8Low150 Ų150115.1 Ų115.166%0.65860%0.596SS**Hα-helixtrans-63.3-37.5174-166.3-90.9000111.5L3 A10L3-F6 PolarHBondContact O-N 3.3Å; F6-A10 WeakPolarHBondContact O-CB 3.46Å; F6-A10 PolarHBondContact O-N 2.83Å
7Y66.6Low57Low172 Ų172120.9 Ų120.968%0.67561%0.608SS**Hα-helixtrans-69.4-36.2174-77.5-80.4000112.9L3 R4 D5 A11L3-Y7 WeakPolarHBondContact O-CD2 3.46Å; R4-Y7 PolarHBondContact O-N 3.44Å; D5-Y7 VanDerWaalsContact C-N 3.3Å; D5-Y7 PolarHBondContact O-N 2.97Å; Y7-A11 VanDerWaalsContact O-CB 3.23Å; Y7-A11 WeakPolarHBondContact O-CB 3.31Å; Y7-A11 PolarHBondContact O-N 3.39Å
8L58.3Low55.8Low119 Ų119122.3 Ų122.362%0.62362%0.617SS**Hα-helixtrans-67.1-43.3173.8-92.9160000111.8R4 D5 A11 L12R4-L8 PolarHBondContact O-N 3.22Å; D5-L8 PolarHBondContact O-N 3.15Å; L8-A11 PolarHBondContact O-N 3.49Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.33Å
9L59.6Low54.7Low99 Ų99124.1 Ų124.152%0.51863%0.629SS.*Hα-helixtrans-64.9-43.4175.5-174.463.7000111.5D5 L12 I13D5-L9 WeakPolarHBondContact O-CB 3.45Å; D5-L9 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 2.87Å; L9-I13 HydrophobicContact CD1-CD1 4.15Å; L9-I13 HydrophobicContact CD1-CG1 4.5Å; L9-I13 HydrophobicContact CG-CD1 3.9Å; L9-I13 WeakPolarHBondContact O-CB 3.29Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.45Å; L9-I13 PolarHBondContact O-N 3.2Å
10A62.9Low53.8Low46 Ų46122.6 Ų122.638%0.3863%0.63SS.*Hα-helixtrans-63.9-40.1175.800000112.3F6 A14F6-A10 WeakPolarHBondContact O-CB 3.46Å; F6-A10 PolarHBondContact O-N 2.83Å; A10-A14 VanDerWaalsContact O-CB 3.29Å; A10-A14 WeakPolarHBondContact O-CB 3.2Å; A10-A14 PolarHBondContact O-N 2.79Å
11A59.4Low53.1Low51 Ų51121.4 Ų121.442%0.42164%0.639SS.*Hα-helixtrans-65.6-40.9174.800000112.1Y7 L8 A14 C15Y7-A11 VanDerWaalsContact O-CB 3.23Å; Y7-A11 WeakPolarHBondContact O-CB 3.31Å; Y7-A11 PolarHBondContact O-N 3.39Å; L8-A11 PolarHBondContact O-N 3.49Å; A11-A14 PolarHBondContact O-N 3.23Å; A11-C15 WeakPolarHBondContact O-CB 3.31Å; A11-C15 PolarHBondContact O-N 2.96Å; A11-C15 PolarHBondContact O-SG 2.85Å
12L53Low53.1Low107 Ų107118.4 Ų118.456%0.5663%0.625SS**Hα-helixtrans-67.3-41.3177-162.6113000111.7L8 L9 A14 C15 L16L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.33Å; L9-L12 PolarHBondContact O-N 2.87Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-C15 PolarHBondContact O-N 2.97Å; L12-L16 HydrophobicContact CD2-CD1 3.88Å; L12-L16 HydrophobicContact CG-CD1 4.33Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.4Å
13I58.1Low52.7Low93 Ų93116.5 Ų116.548%0.47763%0.628SS.*Hα-helixtrans-64.6-37.2173.4-70169.2000111.2L9 R17L9-I13 HydrophobicContact CD1-CD1 4.15Å; L9-I13 HydrophobicContact CD1-CG1 4.5Å; L9-I13 HydrophobicContact CG-CD1 3.9Å; L9-I13 WeakPolarHBondContact O-CB 3.29Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.45Å; L9-I13 PolarHBondContact O-N 3.2Å; I13-R17 WeakPolarHBondContact O-CB 3.13Å; I13-R17 WeakPolarHBondContact O-CG 2.94Å; I13-R17 PolarHBondContact O-N 2.98Å
14A56.3Low53Low51 Ų51112.5 Ų112.542%0.42161%0.606SS.*Hα-helixtrans-68.5-41.7175.300000112.3A10 A11 L12 L16 R17 L18A10-A14 VanDerWaalsContact O-CB 3.29Å; A10-A14 WeakPolarHBondContact O-CB 3.2Å; A10-A14 PolarHBondContact O-N 2.79Å; A11-A14 PolarHBondContact O-N 3.23Å; L12-A14 VanDerWaalsContact C-N 3.34Å; A14-L16 VanDerWaalsContact C-N 3.34Å; A14-R17 CarbonylContact O-C 3.53Å; A14-R17 WeakPolarHBondContact O-CA 3.3Å; A14-R17 PolarHBondContact O-N 3.46Å; A14-L18 PolarHBondContact O-N 3.48Å
15C49.3Very low53.9Low101 Ų101107.9 Ų107.968%0.68259%0.593SS**Hα-helixtrans-67.2-34.6176.2-64.70000112.1A11 L12 R17A11-C15 WeakPolarHBondContact O-CB 3.31Å; A11-C15 PolarHBondContact O-N 2.96Å; A11-C15 PolarHBondContact O-SG 2.85Å; L12-C15 PolarHBondContact O-N 2.97Å; C15-R17 PolarHBondContact O-N 3.4Å
16L49.7Very low55.2Low132 Ų132106.4 Ų106.469%0.69159%0.585SS**THydrogen-bonded Turntrans-75.28.9170.1-70.1168.5000113.7L12 A14L12-L16 HydrophobicContact CD2-CD1 3.88Å; L12-L16 HydrophobicContact CG-CD1 4.33Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.4Å; A14-L16 VanDerWaalsContact C-N 3.34Å
17R44.9Very low56Low213 Ų213104 Ų10480%0.80458%0.578SS**THydrogen-bonded Turntrans-13015.8179.3-73-61.7-152.9-163.76.7113.9I13 A14 C15I13-R17 WeakPolarHBondContact O-CB 3.13Å; I13-R17 WeakPolarHBondContact O-CG 2.94Å; I13-R17 PolarHBondContact O-N 2.98Å; A14-R17 CarbonylContact O-C 3.53Å; A14-R17 WeakPolarHBondContact O-CA 3.3Å; A14-R17 PolarHBondContact O-N 3.46Å; C15-R17 PolarHBondContact O-N 3.4Å
18L35.5Very low57Low147 Ų14797 Ų9777%0.7755%0.551SS**SBendtrans-106124.5161-92.583.3000111.3A14A14-L18 PolarHBondContact O-N 3.48Å
19D34.7Very low58.2Low155 Ų15594.8 Ų94.883%0.82954%0.542SS*.  trans48.6110.5161.3-139.1-17.3000119.8
20S35.6Very low59.6Low95 Ų9590.6 Ų90.666%0.66452%0.52SS*.  trans-151.3104.4151.540.80000109.3I22S20-I22 PolarHBondContact O-N 3.24Å
21A40.1Very low60.6Low98 Ų9896.5 Ų96.581%0.8153%0.533SS*.  trans-70.284.7162.600000108.7A23A21-A23 PolarHBondContact O-N 2.86Å
22I46.8Very low61.9Low128 Ų12894.4 Ų94.466%0.65651%0.514SS*.  trans-62.8107.4-177.6-58.8172.3000109S20 Q24S20-I22 PolarHBondContact O-N 3.24Å; I22-Q24 HydrophobicContact CG2-CG 4.15Å
23A51.9Low63.2Low94 Ų9491.9 Ų91.978%0.77750%0.499SS*.  trans-63.7132.216400000108.6A21A21-A23 PolarHBondContact O-N 2.86Å
24Q65.5Low64.4Low54 Ų5489.7 Ų89.725%0.25249%0.489SS..EExtended strand (participates in β ladder)trans-116.3128.7-177.9-58.9-171.7-82.700109.5I22 L47 K127I22-Q24 HydrophobicContact CG2-CG 4.15Å; Q24-L47 HydrophobicContact CB-CD2 4.03Å; Q24-K127 PolarHBondContact O-N 3.36Å
25E78.2Confident65.6Low111 Ų11191.1 Ų91.152%0.51949%0.494SS..EExtended strand (participates in β ladder)trans-107.6137.7173-169.5178.8158.700109.4K127E25-K127 CarbonylContact C-O 3.58Å; E25-K127 VanDerWaalsContact CA-O 3.28Å; E25-K127 WeakPolarHBondContact CA-O 3.28Å; E25-K127 HydrophobicContact CG-CB 4.26Å
26L84.3Confident67.3Low18 Ų1890.8 Ų90.89%0.09448%0.482CS..EExtended strand (participates in β ladder)trans-113.5128.7170.6-68.6169.5000108.9Y28 I43 D46 L47 I126 K127 I128 K129L26-Y28 HydrophobicContact CB-CE2 3.95Å; L26-Y28 HydrophobicContact CD1-CE2 4.24Å; L26-I43 HydrophobicContact CD1-CB 4.43Å; L26-I43 HydrophobicContact CD1-CG1 4.12Å; L26-I43 HydrophobicContact CD1-CG2 4.24Å; L26-D46 HydrophobicContact CD2-CB 3.96Å; L26-L47 HydrophobicContact CD1-CD1 4.13Å; L26-L47 HydrophobicContact CD1-CD2 4.32Å; L26-L47 HydrophobicContact CD1-CG 4.01Å; L26-L47 HydrophobicContact CD2-CD2 3.66Å; L26-L47 HydrophobicContact CD2-CG 4.05Å; L26-L47 HydrophobicContact CG-CD2 4.01Å; L26-L47 HydrophobicContact CG-CG 4.26Å; L26-I126 HydrophobicContact CD1-CG2 3.91Å; L26-I126 HydrophobicContact CG-CG2 4.18Å; L26-K127 PolarHBondContact N-O 3.07Å; L26-I128 HydrophobicContact CB-CG1 4.22Å; L26-I128 HydrophobicContact CB-CG2 4.33Å; L26-I128 HydrophobicContact CD1-CD1 4.14Å; L26-I128 HydrophobicContact CD1-CG1 4.4Å; L26-I128 CarbonylContact O-C 3.5Å; L26-I128 VanDerWaalsContact O-CA 3.24Å; L26-I128 WeakPolarHBondContact O-CA 3.14Å; L26-K129 PolarHBondContact O-N 2.87Å
27I84.4Confident68.9Low101 Ų10188.9 Ų88.952%0.51847%0.472SS..EExtended strand (participates in β ladder)trans-104120.1173.2-54.1-179.6000107.9K129 I131I27-K129 WeakPolarHBondContact CA-O 3.03Å; I27-K129 HydrophobicContact CG1-CB 4.33Å; I27-I131 HydrophobicContact CG2-CD1 3.46Å; I27-I131 VanDerWaalsContact CG2-CD1 3.46Å; I27-I131 HydrophobicContact CG2-CG1 4.23Å
28Y88.8Confident70.9Confident24 Ų2480.7 Ų80.79%0.09445%0.446CS..EExtended strand (participates in β ladder)trans-111.4153.7168.4-62.9-69.3000110.1L26 I40 G41 N42 D46 I85 I128 K129 I130 I131L26-Y28 HydrophobicContact CB-CE2 3.95Å; L26-Y28 HydrophobicContact CD1-CE2 4.24Å; Y28-I40 HydrophobicContact CD2-CG2 4.44Å; Y28-I40 HydrophobicContact CG-CG2 4.07Å; Y28-G41 VanDerWaalsContact CE1-CA 3.47Å; Y28-N42 PolarHBondContact OH-N 2.96Å; Y28-D46 VanDerWaalsContact CE1-OD2 3.29Å; Y28-D46 WeakPolarHBondContact CE1-OD2 3.17Å; Y28-D46 PolarHBondContact OH-OD2 3.38Å; Y28-I85 HydrophobicContact CD2-CD1 3.92Å; Y28-I85 HydrophobicContact CE2-CD1 3.44Å; Y28-I85 VanDerWaalsContact CE2-CD1 3.44Å; Y28-I128 HydrophobicContact CD2-CG2 3.43Å; Y28-I128 VanDerWaalsContact CD2-CG2 3.43Å; Y28-I128 HydrophobicContact CE2-CD1 4.46Å; Y28-I128 HydrophobicContact CE2-CG2 3.65Å; Y28-K129 PolarHBondContact N-O 3.13Å; Y28-I130 WeakPolarHBondContact O-CA 3.02Å; Y28-I131 PolarHBondContact O-N 2.75Å
29T84Confident73.3Confident73 Ų7378 Ų7845%0.44844%0.437SS..EExtended strand (participates in β ladder)trans-128.1121.2176-46.40000109.2I131 K133T29-I131 WeakPolarHBondContact CA-O 3.31Å; T29-I131 HydrophobicContact CG2-CB 4.16Å; T29-I131 HydrophobicContact CG2-CG2 4.16Å; T29-K133 HydrophobicContact CG2-CD 3.6Å; T29-K133 VanDerWaalsContact CG2-CE 3.47Å; T29-K133 HydrophobicContact CG2-CG 3.76Å
30I88.9Confident75.7Confident11 Ų1171.8 Ų71.86%0.05640%0.404CS..EExtended strand (participates in β ladder)trans-114.9164.2177.360.7174.5000109.7L34 I40 I92 F111 I130 I131 V132 K133I30-L34 HydrophobicContact CB-CD1 3.97Å; I30-L34 HydrophobicContact CG2-CD1 4.39Å; I30-I40 HydrophobicContact CG2-CB 4.24Å; I30-I40 HydrophobicContact CG2-CD1 4.09Å; I30-I40 HydrophobicContact CG2-CG1 3.86Å; I30-I40 HydrophobicContact CG2-CG2 3.59Å; I30-I92 HydrophobicContact CD1-CD1 3.41Å; I30-I92 VanDerWaalsContact CD1-CD1 3.41Å; I30-I92 HydrophobicContact CD1-CG2 4.1Å; I30-F111 HydrophobicContact CD1-CE1 4.5Å; I30-I130 HydrophobicContact CD1-CG2 3.52Å; I30-I130 HydrophobicContact CG1-CG2 3.63Å; I30-I130 HydrophobicContact CG2-CG2 4.36Å; I30-I131 PolarHBondContact N-O 2.97Å; I30-V132 HydrophobicContact CD1-CG2 4.46Å; I30-V132 HydrophobicContact CG1-CG2 4.47Å; I30-K133 WeakPolarHBondContact O-CB 3.49Å; I30-K133 PolarHBondContact O-N 3.43Å
31R83.5Confident78.1Confident170 Ų17068 Ų6864%0.64238%0.38SS*.EExtended strand (participates in β ladder)trans-85.2158.1154-67.1-175.8-173.7-176.6-2.1108.6L34 K133R31-L34 VanDerWaalsContact O-CD1 3.26Å; R31-L34 WeakPolarHBondContact O-CD1 3.45Å; R31-L34 WeakPolarHBondContact O-CG 2.93Å; R31-K133 WeakPolarHBondContact CA-O 3.43Å; R31-K133 HydrophobicContact CG-CB 4.39Å
32E85.8Confident80.2Confident6 Ų664 Ų643%0.02835%0.345CS..SBendtrans-70.8178.9165.271.1-169.6111.400112.8L34 I92 R94 V132 K133 D134 T135E32-L34 PolarHBondContact O-N 2.84Å; E32-I92 WeakPolarHBondContact CA-O 3.43Å; E32-I92 VanDerWaalsContact CB-O 3.24Å; E32-I92 WeakPolarHBondContact CB-O 3.38Å; E32-R94 HydrophobicContact CB-CB 4.31Å; E32-R94 VanDerWaalsContact CD-CB 3.46Å; E32-R94 WeakPolarHBondContact OE1-CB 3.48Å; E32-R94 WeakPolarHBondContact OE2-CB 3.24Å; E32-R94 PolarHBondContact OE2-N 2.98Å; E32-V132 HydrophobicContact CB-CG1 3.79Å; E32-K133 PolarHBondContact N-O 3.09Å; E32-D134 WeakPolarHBondContact OE1-CA 3.31Å; E32-T135 PolarHBondContact OE1-N 2.94Å
33E81.7Confident81.9Confident54 Ų5458 Ų5825%0.25231%0.314SS..SBendtrans52.417.4176.7-73.6-64.296.900115.9R91 I92E33-R91 VanDerWaalsContact CD-CD 3.49Å; E33-R91 WeakPolarHBondContact OE1-CB 3.45Å; E33-R91 WeakPolarHBondContact OE1-CD 3.31Å; E33-R91 WeakPolarHBondContact OE2-CD 3.12Å; E33-R91 IonicContact OE2-CZ 3.86Å; E33-R91 IonicContact OE2-NE 2.63Å; E33-R91 IonicContact OE2-NH1 3.39Å; E33-R91 PolarHBondContact OE2-NH1 3.13Å; E33-I92 PolarHBondContact N-O 2.99Å
34L82.9Confident83.1Confident48 Ų4854.1 Ų54.125%0.25128%0.281SS..PPolyproline II helixtrans-63.8133.1173.9-72.6175.4000110.7I30 R31 E32 V38 T87I30-L34 HydrophobicContact CB-CD1 3.97Å; I30-L34 HydrophobicContact CG2-CD1 4.39Å; R31-L34 VanDerWaalsContact O-CD1 3.26Å; R31-L34 WeakPolarHBondContact O-CD1 3.45Å; R31-L34 WeakPolarHBondContact O-CG 2.93Å; E32-L34 PolarHBondContact O-N 2.84Å; L34-V38 HydrophobicContact CB-CG2 4.42Å; L34-V38 HydrophobicContact CD1-CG1 4.15Å; L34-V38 HydrophobicContact CD2-CG1 4.41Å; L34-T87 HydrophobicContact CB-CG2 3.97Å; L34-T87 HydrophobicContact CD1-CG2 4.48Å
35P82.3Confident83.7Confident81 Ų8158.1 Ų58.153%0.52630%0.297SS..PPolyproline II helixtrans-65.3163.117826.9-34.2000112.1V38 T87P35-V38 HydrophobicContact CG-CG2 3.83Å; P35-V38 VanDerWaalsContact O-CG2 3.31Å; P35-V38 WeakPolarHBondContact O-CG2 3.3Å; P35-T87 PolarHBondContact O-OG1 3.01Å
36E84Confident83.6Confident93 Ų9356.8 Ų56.844%0.43529%0.294SS..THydrogen-bonded Turntrans-60143.8178.1-170.3-175.217400112.2K77 T87 T88E36-K77 IonicContact OE1-NZ 3.67Å; E36-K77 PolarHBondContact OE1-NZ 3.29Å; E36-T87 WeakPolarHBondContact CA-OG1 3.41Å; E36-T88 VanDerWaalsContact CG-C 3.43Å
37N83.6Confident83.1Confident92 Ų9257 Ų5749%0.49230%0.295SS..THydrogen-bonded Turntrans74.716.7178.8-44.9-79.3000115.2P39 K77 F86 T87N37-P39 WeakPolarHBondContact O-CD 3.48Å; N37-K77 WeakPolarHBondContact OD1-CE 3.41Å; N37-K77 PolarHBondContact OD1-NZ 2.69Å; N37-F86 WeakPolarHBondContact O-CD1 3.27Å; N37-T87 PolarHBondContact N-O 3Å; N37-T87 VanDerWaalsContact N-O 3.15Å; N37-T87 PolarHBondContact N-OG1 2.95Å
38V85.5Confident82.4Confident41 Ų4159.1 Ų59.125%0.24831%0.307CS..  trans-71.9124.4167.5172.90000109L34 P35 F86 T87L34-V38 HydrophobicContact CB-CG2 4.42Å; L34-V38 HydrophobicContact CD1-CG1 4.15Å; L34-V38 HydrophobicContact CD2-CG1 4.41Å; P35-V38 HydrophobicContact CG-CG2 3.83Å; P35-V38 VanDerWaalsContact O-CG2 3.31Å; P35-V38 WeakPolarHBondContact O-CG2 3.3Å; V38-F86 VanDerWaalsContact O-CA 3.26Å; V38-F86 WeakPolarHBondContact O-CA 3.44Å; V38-T87 HydrophobicContact CB-CG2 4.22Å; V38-T87 PolarHBondContact N-OG1 2.94Å; V38-T87 PolarHBondContact O-N 3.38Å; V38-T87 VanDerWaalsContact O-N 3.08Å
39P87.1Confident81.2Confident90 Ų9059.3 Ų59.358%0.58431%0.31SS*.EExtended strand (participates in β ladder)trans-71.4130.8175.228.6-33.2000111N37 I85 F86N37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-I85 WeakPolarHBondContact CA-O 3.16Å; P39-F86 HydrophobicContact CB-CD1 3.99Å; P39-F86 HydrophobicContact CB-CE1 3.79Å
40I85.5Confident80Confident26 Ų2660.5 Ų60.513%0.13332%0.321CS..EExtended strand (participates in β ladder)trans-100.5-41.7-177.8-62.8176000111.2Y28 I30 V76 I85 T87 I130Y28-I40 HydrophobicContact CD2-CG2 4.44Å; Y28-I40 HydrophobicContact CG-CG2 4.07Å; I30-I40 HydrophobicContact CG2-CB 4.24Å; I30-I40 HydrophobicContact CG2-CD1 4.09Å; I30-I40 HydrophobicContact CG2-CG1 3.86Å; I30-I40 HydrophobicContact CG2-CG2 3.59Å; I40-V76 HydrophobicContact CD1-CB 4.29Å; I40-V76 HydrophobicContact CD1-CG1 3.45Å; I40-V76 VanDerWaalsContact CD1-CG1 3.45Å; I40-I85 HydrophobicContact CB-CB 4.19Å; I40-I85 HydrophobicContact CB-CG2 4.23Å; I40-I85 HydrophobicContact CD1-CG2 4.23Å; I40-I85 PolarHBondContact N-O 2.88Å; I40-T87 HydrophobicContact CD1-CG2 4.01Å; I40-T87 HydrophobicContact CG1-CG2 4.4Å; I40-I130 HydrophobicContact CD1-CD1 4.34Å; I40-I130 HydrophobicContact CG2-CD1 4.3Å
41G85.1Confident78.3Confident15 Ų1563.5 Ų63.516%0.15534%0.335CS..EExtended strand (participates in β ladder)trans-172168.6-172.100000112.9Y28 E84 I85Y28-G41 VanDerWaalsContact CE1-CA 3.47Å; G41-E84 WeakPolarHBondContact O-CA 3.43Å; G41-I85 PolarHBondContact O-N 2.84Å
42N85.2Confident76.7Confident15 Ų1561 Ų618%0.0833%0.332CS..EExtended strand (participates in β ladder)trans-134.699.9-178.8-179.5-57.7000110.7Y28 P44 K45 D46 E84Y28-N42 PolarHBondContact OH-N 2.96Å; N42-P44 VanDerWaalsContact OD1-CD 3.24Å; N42-P44 WeakPolarHBondContact OD1-CD 3.36Å; N42-P44 VanDerWaalsContact OD1-CG 3.29Å; N42-P44 WeakPolarHBondContact OD1-CG 3.28Å; N42-K45 HydrophobicContact CB-CB 4.14Å; N42-K45 HydrophobicContact CB-CD 3.83Å; N42-K45 HydrophobicContact CB-CG 4.25Å; N42-K45 VanDerWaalsContact CG-CD 3.43Å; N42-K45 WeakPolarHBondContact ND2-CE 3.44Å; N42-K45 PolarHBondContact ND2-NZ 2.76Å; N42-K45 PolarHBondContact O-N 2.82Å; N42-K45 VanDerWaalsContact O-N 3.11Å; N42-K45 WeakPolarHBondContact OD1-CB 3.39Å; N42-K45 VanDerWaalsContact OD1-CG 3.23Å; N42-K45 WeakPolarHBondContact OD1-CG 3.45Å; N42-K45 PolarHBondContact OD1-N 3.06Å; N42-D46 PolarHBondContact N-OD2 3.25Å; N42-D46 WeakPolarHBondContact O-CB 3.42Å; N42-D46 PolarHBondContact O-N 3.3Å; N42-E84 HydrophobicContact CB-CG 3.85Å; N42-E84 WeakPolarHBondContact ND2-CG 3.31Å; N42-E84 PolarHBondContact ND2-OE1 2.99Å
43I82Confident74.9Confident0 Ų062.7 Ų62.70%034%0.342CS..Hα-helixtrans-53.9-48.3-173.7-60.7168.1000113.1L26 K45 D46 L47 Y64 V78 G83 I85 V115 I126 I128L26-I43 HydrophobicContact CD1-CB 4.43Å; L26-I43 HydrophobicContact CD1-CG1 4.12Å; L26-I43 HydrophobicContact CD1-CG2 4.24Å; I43-K45 PolarHBondContact O-N 2.82Å; I43-D46 PolarHBondContact O-N 3.45Å; I43-L47 HydrophobicContact CG2-CD1 3.86Å; I43-L47 WeakPolarHBondContact O-CB 3.38Å; I43-L47 PolarHBondContact O-N 3.16Å; I43-Y64 HydrophobicContact CB-CD1 4.4Å; I43-Y64 HydrophobicContact CB-CE1 4.39Å; I43-Y64 HydrophobicContact CG2-CD1 4.17Å; I43-Y64 HydrophobicContact CG2-CE1 4.04Å; I43-V78 HydrophobicContact CD1-CG1 3.99Å; I43-G83 WeakPolarHBondContact CB-O 3.3Å; I43-G83 WeakPolarHBondContact CG1-O 3.4Å; I43-G83 PolarHBondContact N-O 2.83Å; I43-I85 HydrophobicContact CD1-CD1 4.11Å; I43-I85 HydrophobicContact CD1-CG1 4.05Å; I43-I85 HydrophobicContact CG1-CD1 4.07Å; I43-I85 HydrophobicContact CG1-CG1 4.16Å; I43-V115 HydrophobicContact CD1-CB 4.03Å; I43-V115 HydrophobicContact CD1-CG1 3.79Å; I43-V115 HydrophobicContact CD1-CG2 3.87Å; I43-I126 HydrophobicContact CG2-CD1 3.65Å; I43-I128 HydrophobicContact CD1-CD1 3.6Å; I43-I128 HydrophobicContact CG1-CD1 3.85Å
44P76.8Confident73.3Confident14 Ų1465.4 Ų65.49%0.09137%0.373CS..Hα-helixtrans-64.6-36.2177.29.7-18.2000114.8N42 N48 I49 Y64 T82N42-P44 VanDerWaalsContact OD1-CD 3.24Å; N42-P44 WeakPolarHBondContact OD1-CD 3.36Å; N42-P44 VanDerWaalsContact OD1-CG 3.29Å; N42-P44 WeakPolarHBondContact OD1-CG 3.28Å; P44-N48 WeakPolarHBondContact O-CA 3.49Å; P44-N48 PolarHBondContact O-N 2.89Å; P44-N48 VanDerWaalsContact O-N 3.08Å; P44-I49 PolarHBondContact O-N 2.89Å; P44-Y64 WeakPolarHBondContact CB-OH 3.42Å; P44-Y64 HydrophobicContact CG-CE1 4.24Å; P44-Y64 HydrophobicContact CG-CE2 4.2Å; P44-T82 WeakPolarHBondContact CG-O 3.5Å
45K77.1Confident71.6Confident138 Ų13867.9 Ų67.960%0.640%0.401SS*.Hα-helixtrans-68-49176-70.8170.7-164.4145.70110.1N42 I43 L47 N48 E84N42-K45 HydrophobicContact CB-CB 4.14Å; N42-K45 HydrophobicContact CB-CD 3.83Å; N42-K45 HydrophobicContact CB-CG 4.25Å; N42-K45 VanDerWaalsContact CG-CD 3.43Å; N42-K45 WeakPolarHBondContact ND2-CE 3.44Å; N42-K45 PolarHBondContact ND2-NZ 2.76Å; N42-K45 PolarHBondContact O-N 2.82Å; N42-K45 VanDerWaalsContact O-N 3.11Å; N42-K45 WeakPolarHBondContact OD1-CB 3.39Å; N42-K45 VanDerWaalsContact OD1-CG 3.23Å; N42-K45 WeakPolarHBondContact OD1-CG 3.45Å; N42-K45 PolarHBondContact OD1-N 3.06Å; I43-K45 PolarHBondContact O-N 2.82Å; K45-L47 VanDerWaalsContact C-N 3.34Å; K45-L47 PolarHBondContact O-N 3.42Å; K45-N48 PolarHBondContact O-N 3.06Å; K45-N48 VanDerWaalsContact O-N 3.09Å; K45-E84 IonicContact NZ-OE1 3.09Å; K45-E84 PolarHBondContact NZ-OE1 2.93Å; K45-E84 VanDerWaalsContact NZ-OE1 3.09Å
46D76.6Confident70.1Confident83 Ų8368.2 Ų68.244%0.44440%0.401SS..Hα-helixtrans-73.2-27.7-170.8-56.1-28.4000112L26 Y28 N42 I43L26-D46 HydrophobicContact CD2-CB 3.96Å; Y28-D46 VanDerWaalsContact CE1-OD2 3.29Å; Y28-D46 WeakPolarHBondContact CE1-OD2 3.17Å; Y28-D46 PolarHBondContact OH-OD2 3.38Å; N42-D46 PolarHBondContact N-OD2 3.25Å; N42-D46 WeakPolarHBondContact O-CB 3.42Å; N42-D46 PolarHBondContact O-N 3.3Å; I43-D46 PolarHBondContact O-N 3.45Å
47L75Confident68.4Low23 Ų2366.8 Ų66.812%0.1241%0.412CS..THydrogen-bonded Turntrans-96.33.9170.6-61.6177.4000114.2Q24 L26 I43 K45 I49 I126Q24-L47 HydrophobicContact CB-CD2 4.03Å; L26-L47 HydrophobicContact CD1-CD1 4.13Å; L26-L47 HydrophobicContact CD1-CD2 4.32Å; L26-L47 HydrophobicContact CD1-CG 4.01Å; L26-L47 HydrophobicContact CD2-CD2 3.66Å; L26-L47 HydrophobicContact CD2-CG 4.05Å; L26-L47 HydrophobicContact CG-CD2 4.01Å; L26-L47 HydrophobicContact CG-CG 4.26Å; I43-L47 HydrophobicContact CG2-CD1 3.86Å; I43-L47 WeakPolarHBondContact O-CB 3.38Å; I43-L47 PolarHBondContact O-N 3.16Å; K45-L47 VanDerWaalsContact C-N 3.34Å; K45-L47 PolarHBondContact O-N 3.42Å; L47-I49 VanDerWaalsContact C-N 3.34Å; L47-I49 HydrophobicContact CB-CD1 3.84Å; L47-I49 HydrophobicContact CB-CG1 3.76Å; L47-I49 HydrophobicContact CD1-CD1 4.17Å; L47-I49 PolarHBondContact O-N 3.29Å; L47-I126 HydrophobicContact CD1-CD1 3.31Å; L47-I126 HydrophobicContact CD1-CG1 3.68Å; L47-I126 HydrophobicContact CD1-CG2 4.07Å
48N68Low66.5Low144 Ų14466.4 Ų66.477%0.7741%0.413SS*.THydrogen-bonded Turntrans51.645178.4-160.17.5000114.1P44 K45 S50P44-N48 WeakPolarHBondContact O-CA 3.49Å; P44-N48 PolarHBondContact O-N 2.89Å; P44-N48 VanDerWaalsContact O-N 3.08Å; K45-N48 PolarHBondContact O-N 3.06Å; K45-N48 VanDerWaalsContact O-N 3.09Å; N48-S50 PolarHBondContact O-N 3.45Å
49I65.6Low64.7Low29 Ų2969 Ų6915%0.14943%0.433CS..  trans-86.4103.6-174.4-55.4178.9000109.7P44 L47 L62 I117P44-I49 PolarHBondContact O-N 2.89Å; L47-I49 VanDerWaalsContact C-N 3.34Å; L47-I49 HydrophobicContact CB-CD1 3.84Å; L47-I49 HydrophobicContact CB-CG1 3.76Å; L47-I49 HydrophobicContact CD1-CD1 4.17Å; L47-I49 PolarHBondContact O-N 3.29Å; I49-L62 HydrophobicContact CG2-CD1 3.48Å; I49-L62 VanDerWaalsContact CG2-CD1 3.48Å; I49-I117 HydrophobicContact CD1-CD1 3.4Å; I49-I117 VanDerWaalsContact CD1-CD1 3.4Å
50S57.2Low63.2Low97 Ų9765.6 Ų65.668%0.67841%0.412SS*.  trans-81.7126.9179.357.70000112.3N48 I52N48-S50 PolarHBondContact O-N 3.45Å; S50-I52 PolarHBondContact O-N 3.37Å
51H54.6Low62.3Low75 Ų7569 Ų6935%0.34744%0.438SS..  trans-73.912.6-175-77.7-91.6000115.6S59 A60H51-S59 VanDerWaalsContact O-CA 3.28Å; H51-S59 WeakPolarHBondContact O-CA 3.38Å; H51-A60 PolarHBondContact ND1-O 3Å; H51-A60 PolarHBondContact O-N 2.78Å
52I49Very low61.7Low116 Ų11668.8 Ų68.860%0.59543%0.434SS*.BIsolated β-bridgetrans-115.1111.1-168-56.2176.1000110.6S50 A54S50-I52 PolarHBondContact O-N 3.37Å; I52-A54 PolarHBondContact O-N 3.04Å
53N47.2Very low61.4Low43 Ų4371.2 Ų71.223%0.2345%0.449CS..  trans-69.599.7171.8-76.16.7000110.5A55 T56 G57 T58 F122N53-A55 PolarHBondContact O-N 3.34Å; N53-T56 VanDerWaalsContact CB-OG1 3.29Å; N53-T56 WeakPolarHBondContact CB-OG1 3.4Å; N53-T56 PolarHBondContact O-N 2.97Å; N53-T56 VanDerWaalsContact O-N 3.08Å; N53-G57 PolarHBondContact O-N 2.63Å; N53-T58 WeakPolarHBondContact CB-O 3.11Å; N53-F122 WeakPolarHBondContact OD1-CZ 3.32Å
54A49Very low61.4Low110 Ų11071.3 Ų71.391%0.90945%0.449SS*.THydrogen-bonded Turntrans-56.8-21.6178.900000114.4I52I52-A54 PolarHBondContact O-N 3.04Å
55A47.9Very low61.7Low100 Ų10078.7 Ų78.783%0.82648%0.475SS*.THydrogen-bonded Turntrans-86.6-21.7178.800000114.8N53N53-A55 PolarHBondContact O-N 3.34Å
56T50.1Low62Low88 Ų8873.7 Ų73.754%0.5446%0.455SS..THydrogen-bonded Turntrans-132.8-10-17257.60000114.8N53 T58N53-T56 VanDerWaalsContact CB-OG1 3.29Å; N53-T56 WeakPolarHBondContact CB-OG1 3.4Å; N53-T56 PolarHBondContact O-N 2.97Å; N53-T56 VanDerWaalsContact O-N 3.08Å; T56-T58 PolarHBondContact O-N 3.44Å; T56-T58 PolarHBondContact OG1-OG1 2.81Å
57G47.6Very low62.2Low63 Ų6373.1 Ų73.165%0.64945%0.454SS*.  trans69.2-2.7-17900000115.1N53N53-G57 PolarHBondContact O-N 2.63Å
58T44.3Very low62Low84 Ų8475.3 Ų75.352%0.51547%0.471SS..PPolyproline II helixtrans-84.8121.1178530000110.3N53 T56 A60N53-T58 WeakPolarHBondContact CB-O 3.11Å; T56-T58 PolarHBondContact O-N 3.44Å; T56-T58 PolarHBondContact OG1-OG1 2.81Å; T58-A60 PolarHBondContact O-N 2.9Å
59S48.3Very low62Low96 Ų9676.2 Ų76.267%0.67147%0.469SS*.BIsolated β-bridgetrans-66.3121.4172.8-55.70000110.8H51H51-S59 VanDerWaalsContact O-CA 3.28Å; H51-S59 WeakPolarHBondContact O-CA 3.38Å
60A55.2Low61.8Low18 Ų1880.3 Ų80.315%0.14951%0.507CS..PPolyproline II helixtrans-79.9120.2174.300000109.7H51 T58 L62 F122H51-A60 PolarHBondContact ND1-O 3Å; H51-A60 PolarHBondContact O-N 2.78Å; T58-A60 PolarHBondContact O-N 2.9Å; A60-L62 VanDerWaalsContact C-N 3.32Å; A60-L62 PolarHBondContact O-N 3.31Å; A60-F122 HydrophobicContact CB-CE2 4.29Å
61S66.6Low62.2Low98 Ų9879.5 Ų79.569%0.68551%0.513SS*.  trans-74.686.5172.358.20000109.6
62L72.3Confident62.8Low11 Ų1180.7 Ų80.76%0.05852%0.522CS..  trans-64.9136.1175-60.5176.8000110I49 A60 Y64 I117 L118 F122I49-L62 HydrophobicContact CG2-CD1 3.48Å; I49-L62 VanDerWaalsContact CG2-CD1 3.48Å; A60-L62 VanDerWaalsContact C-N 3.32Å; A60-L62 PolarHBondContact O-N 3.31Å; L62-Y64 HydrophobicContact CB-CE2 4.17Å; L62-I117 HydrophobicContact CB-CG2 4.23Å; L62-I117 HydrophobicContact CD1-CG2 4.44Å; L62-I117 HydrophobicContact CD2-CG2 4.01Å; L62-I117 HydrophobicContact CG-CG2 4.46Å; L62-L118 CarbonylContact C-O 3.52Å; L62-L118 VanDerWaalsContact CA-O 3.32Å; L62-L118 WeakPolarHBondContact CA-O 3.06Å; L62-F122 HydrophobicContact CD2-CB 3.76Å; L62-F122 HydrophobicContact CD2-CD2 4.34Å; L62-F122 HydrophobicContact CD2-CG 4.04Å
63V79.4Confident63.9Low66 Ų6678.3 Ų78.340%0.452%0.52SS..EExtended strand (participates in β ladder)trans-116.3123.8177.4179.60000108.8S80 I117 L118V63-S80 WeakPolarHBondContact CA-O 3.12Å; V63-I117 WeakPolarHBondContact O-CA 3.45Å; V63-L118 HydrophobicContact CB-CB 4.47Å; V63-L118 PolarHBondContact N-O 3.06Å; V63-L118 PolarHBondContact O-N 2.83Å
64Y82.7Confident65.4Low1 Ų178.7 Ų78.70%0.00453%0.525CS..EExtended strand (participates in β ladder)trans-94136.6177.1-57.5-93.6000109I43 P44 L62 S80 G83 I117I43-Y64 HydrophobicContact CB-CD1 4.4Å; I43-Y64 HydrophobicContact CB-CE1 4.39Å; I43-Y64 HydrophobicContact CG2-CD1 4.17Å; I43-Y64 HydrophobicContact CG2-CE1 4.04Å; P44-Y64 WeakPolarHBondContact CB-OH 3.42Å; P44-Y64 HydrophobicContact CG-CE1 4.24Å; P44-Y64 HydrophobicContact CG-CE2 4.2Å; L62-Y64 HydrophobicContact CB-CE2 4.17Å; Y64-S80 PolarHBondContact N-O 2.91Å; Y64-S80 VanDerWaalsContact O-CA 3.23Å; Y64-S80 WeakPolarHBondContact O-CA 3.33Å; Y64-S80 WeakPolarHBondContact O-CB 3.44Å; Y64-G83 VanDerWaalsContact CG-CA 3.43Å; Y64-I117 HydrophobicContact CD1-CD1 4.09Å; Y64-I117 HydrophobicContact CD1-CG1 3.79Å; Y64-I117 HydrophobicContact CE1-CD1 3.52Å; Y64-I117 HydrophobicContact CE1-CG1 3.72Å
65R82Confident67Low169 Ų16975.4 Ų75.464%0.63849%0.492SS*.EExtended strand (participates in β ladder)trans-141.4122.8177.5-168.6173-173.8159.82.8111V67 V115 V116R65-V67 PolarHBondContact O-N 2.84Å; R65-V115 WeakPolarHBondContact O-CA 3.38Å; R65-V116 HydrophobicContact CB-CG1 3.9Å; R65-V116 PolarHBondContact N-O 2.9Å; R65-V116 PolarHBondContact O-N 2.9Å
66L83.3Confident68.8Low34 Ų3470.8 Ų70.818%0.17845%0.453CS..EExtended strand (participates in β ladder)trans-63.3131169.6-176.365.6000109.7P74 V76 V78 L113 V115L66-P74 HydrophobicContact CD2-CB 3.73Å; L66-P74 HydrophobicContact CD2-CG 4.18Å; L66-V76 VanDerWaalsContact CD2-O 3.27Å; L66-V76 WeakPolarHBondContact CD2-O 3.25Å; L66-V78 HydrophobicContact CB-CB 4.4Å; L66-V78 HydrophobicContact CB-CG2 4.12Å; L66-V78 HydrophobicContact CD1-CG2 4.15Å; L66-L113 HydrophobicContact CD1-CB 4.08Å; L66-L113 HydrophobicContact CD1-CD1 3.58Å; L66-L113 HydrophobicContact CD1-CG 4.43Å; L66-V115 HydrophobicContact CD1-CG2 4.3Å
67V80.3Confident70.5Confident71 Ų7169.8 Ų69.843%0.4344%0.441SS..EExtended strand (participates in β ladder)trans-95.388.6174.4-175.80000107.6R65 E114 V116 L125R65-V67 PolarHBondContact O-N 2.84Å; V67-E114 HydrophobicContact CB-CB 4.05Å; V67-E114 WeakPolarHBondContact CB-O 3.45Å; V67-E114 HydrophobicContact CG2-CB 4.47Å; V67-E114 PolarHBondContact N-O 2.6Å; V67-V116 HydrophobicContact CG2-CB 4.17Å; V67-V116 HydrophobicContact CG2-CG1 3.98Å; V67-L125 HydrophobicContact CG2-CD1 4.25Å
68S70.8Confident72.4Confident68 Ų6867.8 Ų67.848%0.47642%0.417SS..  trans-100.2149.6171.961.40000111.3
69K69.9Low74.3Confident164 Ų16465.4 Ų65.471%0.71340%0.403SS*.  trans-70.6150.7171.1-64.6167.1-177.5163.20109.7G71 D72K69-G71 PolarHBondContact O-N 3.15Å; K69-D72 WeakPolarHBondContact CB-OD2 3.23Å; K69-D72 PolarHBondContact O-N 2.83Å
70A60.3Low75.9Confident115 Ų11564.2 Ų64.295%0.9540%0.395SS*.THydrogen-bonded Turntrans-70.8103178.700000110.8
71G64.6Low77Confident79 Ų7967.6 Ų67.681%0.81442%0.417SS*.THydrogen-bonded Turntrans129.1-29.7-179.900000113.3K69 A73K69-G71 PolarHBondContact O-N 3.15Å; G71-A73 PolarHBondContact O-N 3Å
72D68.5Low77.7Confident101 Ų10165.5 Ų65.554%0.5440%0.4SS..  trans-72.8120.1176.4-69.5-29.8000110K69 P74K69-D72 WeakPolarHBondContact CB-OD2 3.23Å; K69-D72 PolarHBondContact O-N 2.83Å; D72-P74 VanDerWaalsContact O-CD 3.32Å; D72-P74 WeakPolarHBondContact O-CD 3.37Å
73A71.3Confident78.2Confident65 Ų6565 Ų6554%0.53740%0.398SS..  trans-82.2105174.100000108.9G71 L75 N90G71-A73 PolarHBondContact O-N 3Å; A73-L75 PolarHBondContact O-N 2.86Å; A73-N90 WeakPolarHBondContact CB-ND2 3.4Å; A73-N90 PolarHBondContact O-ND2 2.63Å
74P79.5Confident78.5Confident52 Ų5264.2 Ų64.234%0.33839%0.39SS..  trans-71.4133.5-162.129.9-36000111.4L66 D72 V76 T88L66-P74 HydrophobicContact CD2-CB 3.73Å; L66-P74 HydrophobicContact CD2-CG 4.18Å; D72-P74 VanDerWaalsContact O-CD 3.32Å; D72-P74 WeakPolarHBondContact O-CD 3.37Å; P74-V76 PolarHBondContact O-N 2.92Å; P74-T88 WeakPolarHBondContact O-CG2 3.35Å; P74-T88 PolarHBondContact O-OG1 3.21Å
75L82.8Confident78.8Confident40 Ų4064.2 Ų64.221%0.20939%0.39CS..SBendtrans-61.3-32.5178.8-64.9171.1000112.8A73 T88 N90 I92 L97 F111A73-L75 PolarHBondContact O-N 2.86Å; L75-T88 WeakPolarHBondContact O-CB 3.4Å; L75-T88 WeakPolarHBondContact O-CG2 3.48Å; L75-T88 PolarHBondContact O-N 3.11Å; L75-T88 PolarHBondContact O-OG1 2.9Å; L75-N90 HydrophobicContact CD2-CB 4.18Å; L75-I92 HydrophobicContact CB-CD1 4.18Å; L75-I92 HydrophobicContact CB-CG1 3.91Å; L75-I92 HydrophobicContact CD1-CG1 4.31Å; L75-I92 HydrophobicContact CD2-CG1 4.17Å; L75-I92 HydrophobicContact CG-CG1 4.35Å; L75-L97 HydrophobicContact CD1-CD1 4Å; L75-L97 HydrophobicContact CD1-CD2 4.03Å; L75-L97 HydrophobicContact CD1-CG 4.47Å; L75-F111 HydrophobicContact CB-CE2 4.3Å; L75-F111 HydrophobicContact CB-CZ 4.18Å; L75-F111 HydrophobicContact CD1-CD1 4.15Å; L75-F111 HydrophobicContact CD1-CD2 4.28Å; L75-F111 HydrophobicContact CD1-CE1 4.02Å; L75-F111 HydrophobicContact CD1-CE2 4.15Å; L75-F111 HydrophobicContact CD1-CG 4.28Å; L75-F111 HydrophobicContact CD1-CZ 4.02Å
76V86Confident79.1Confident3 Ų358.5 Ų58.52%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-125.1146.5179.2-56.80000111.1I40 L66 P74 I85 F86 I92 F111 L113 I130I40-V76 HydrophobicContact CD1-CB 4.29Å; I40-V76 HydrophobicContact CD1-CG1 3.45Å; I40-V76 VanDerWaalsContact CD1-CG1 3.45Å; L66-V76 VanDerWaalsContact CD2-O 3.27Å; L66-V76 WeakPolarHBondContact CD2-O 3.25Å; P74-V76 PolarHBondContact O-N 2.92Å; V76-I85 HydrophobicContact CB-CG2 3.87Å; V76-I85 HydrophobicContact CG1-CG2 4.48Å; V76-I85 HydrophobicContact CG2-CG2 3.92Å; V76-F86 CarbonylContact C-O 3.45Å; V76-F86 WeakPolarHBondContact CA-O 3.48Å; V76-F86 WeakPolarHBondContact CB-O 3.48Å; V76-I92 HydrophobicContact CG1-CD1 4.07Å; V76-F111 HydrophobicContact CG1-CE2 4.37Å; V76-F111 HydrophobicContact CG1-CZ 4.12Å; V76-F111 HydrophobicContact CG2-CE2 4.5Å; V76-L113 HydrophobicContact CG2-CD1 4.31Å; V76-L113 HydrophobicContact CG2-CD2 3.53Å; V76-L113 HydrophobicContact CG2-CG 4.49Å; V76-I130 HydrophobicContact CG1-CD1 3.94Å; V76-I130 HydrophobicContact CG2-CD1 4.18Å
77K84.9Confident79.2Confident68 Ų6857.1 Ų57.130%0.29636%0.362SS..EExtended strand (participates in β ladder)trans-112.9137.3176.358.3-170.6174.1-172.90110E36 N37 F86 T87 T88E36-K77 IonicContact OE1-NZ 3.67Å; E36-K77 PolarHBondContact OE1-NZ 3.29Å; N37-K77 WeakPolarHBondContact OD1-CE 3.41Å; N37-K77 PolarHBondContact OD1-NZ 2.69Å; K77-F86 HydrophobicContact CG-CB 4Å; K77-F86 PolarHBondContact N-O 2.9Å; K77-F86 PolarHBondContact O-N 3.21Å; K77-T87 VanDerWaalsContact CE-O 3.31Å; K77-T87 WeakPolarHBondContact CE-O 3.49Å; K77-T88 HydrophobicContact CB-CG2 3.86Å; K77-T88 HydrophobicContact CD-CG2 4.15Å; K77-T88 HydrophobicContact CG-CG2 3.98Å
78V86.6Confident79.5Confident21 Ų2154.5 Ų54.513%0.12735%0.347CS..EExtended strand (participates in β ladder)trans-103.8123.1176.9-174.70000109.2I43 L66 S80 E84 I85 V115I43-V78 HydrophobicContact CD1-CG1 3.99Å; L66-V78 HydrophobicContact CB-CB 4.4Å; L66-V78 HydrophobicContact CB-CG2 4.12Å; L66-V78 HydrophobicContact CD1-CG2 4.15Å; V78-S80 PolarHBondContact O-N 3Å; V78-E84 WeakPolarHBondContact CA-O 3.32Å; V78-I85 HydrophobicContact CG2-CG1 4.3Å; V78-V115 HydrophobicContact CG1-CG1 4.21Å; V78-V115 HydrophobicContact CG2-CG2 3.93Å
79S85.4Confident80Confident33 Ų3355.4 Ų55.423%0.23135%0.353CS..  trans-62.8117.4174.11700000110.1S81 T82 G83 E84S79-S81 VanDerWaalsContact C-N 3.26Å; S79-S81 PolarHBondContact O-N 3.32Å; S79-T82 VanDerWaalsContact CB-OG1 3.24Å; S79-T82 WeakPolarHBondContact CB-OG1 3.31Å; S79-T82 PolarHBondContact O-N 2.78Å; S79-T82 PolarHBondContact OG-N 2.82Å; S79-T82 PolarHBondContact OG-OG1 3.5Å; S79-G83 WeakPolarHBondContact O-CA 3.43Å; S79-G83 PolarHBondContact O-N 2.78Å; S79-E84 WeakPolarHBondContact CB-O 3.06Å; S79-E84 PolarHBondContact N-O 2.96Å
80S81.7Confident80.5Confident71 Ų7150.8 Ų50.850%0.49734%0.336SS..THydrogen-bonded Turntrans-70.4-20.5-170.956.30000114.5V63 Y64 V78V63-S80 WeakPolarHBondContact CA-O 3.12Å; Y64-S80 PolarHBondContact N-O 2.91Å; Y64-S80 VanDerWaalsContact O-CA 3.23Å; Y64-S80 WeakPolarHBondContact O-CA 3.33Å; Y64-S80 WeakPolarHBondContact O-CB 3.44Å; V78-S80 PolarHBondContact O-N 3Å
81S78.5Confident81.5Confident89 Ų8952.7 Ų52.762%0.62232%0.319SS*.THydrogen-bonded Turntrans-100.6-26.4178.255.50000114.2S79S79-S81 VanDerWaalsContact C-N 3.26Å; S79-S81 PolarHBondContact O-N 3.32Å
82T80.8Confident82.5Confident54 Ų5449.2 Ų49.233%0.33128%0.282SS..THydrogen-bonded Turntrans-110.4-11.5-177.667.80000114.6P44 S79 E84P44-T82 WeakPolarHBondContact CG-O 3.5Å; S79-T82 VanDerWaalsContact CB-OG1 3.24Å; S79-T82 WeakPolarHBondContact CB-OG1 3.31Å; S79-T82 PolarHBondContact O-N 2.78Å; S79-T82 PolarHBondContact OG-N 2.82Å; S79-T82 PolarHBondContact OG-OG1 3.5Å; T82-E84 WeakPolarHBondContact CB-OE2 3.09Å; T82-E84 PolarHBondContact O-N 3.22Å; T82-E84 WeakPolarHBondContact OG1-CB 3.4Å; T82-E84 PolarHBondContact OG1-OE2 2.9Å
83G82.1Confident83.2Confident0 Ų046.7 Ų46.70%027%0.268CS..  trans65.317-175.800000113.8I43 Y64 S79I43-G83 WeakPolarHBondContact CB-O 3.3Å; I43-G83 WeakPolarHBondContact CG1-O 3.4Å; I43-G83 PolarHBondContact N-O 2.83Å; Y64-G83 VanDerWaalsContact CG-CA 3.43Å; S79-G83 WeakPolarHBondContact O-CA 3.43Å; S79-G83 PolarHBondContact O-N 2.78Å
84E86.5Confident83.9Confident51 Ų5145 Ų4524%0.23825%0.248CC..EExtended strand (participates in β ladder)trans-86.1132.8179.4-72.9167.5150.200110.9G41 N42 K45 V78 S79 T82 F86G41-E84 WeakPolarHBondContact O-CA 3.43Å; N42-E84 HydrophobicContact CB-CG 3.85Å; N42-E84 WeakPolarHBondContact ND2-CG 3.31Å; N42-E84 PolarHBondContact ND2-OE1 2.99Å; K45-E84 IonicContact NZ-OE1 3.09Å; K45-E84 PolarHBondContact NZ-OE1 2.93Å; K45-E84 VanDerWaalsContact NZ-OE1 3.09Å; V78-E84 WeakPolarHBondContact CA-O 3.32Å; S79-E84 WeakPolarHBondContact CB-O 3.06Å; S79-E84 PolarHBondContact N-O 2.96Å; T82-E84 WeakPolarHBondContact CB-OE2 3.09Å; T82-E84 PolarHBondContact O-N 3.22Å; T82-E84 WeakPolarHBondContact OG1-CB 3.4Å; T82-E84 PolarHBondContact OG1-OE2 2.9Å; E84-F86 HydrophobicContact CB-CD2 4.33Å; E84-F86 HydrophobicContact CB-CE2 3.48Å; E84-F86 VanDerWaalsContact CB-CE2 3.48Å; E84-F86 HydrophobicContact CB-CZ 3.82Å; E84-F86 WeakPolarHBondContact O-CD2 3.15Å
85I88.4Confident84.1Confident0 Ų044.3 Ų44.30%024%0.24CC..EExtended strand (participates in β ladder)trans-93.7131.2-179.4-46.3-179.4000107.9Y28 P39 I40 G41 I43 V76 V78 I128Y28-I85 HydrophobicContact CD2-CD1 3.92Å; Y28-I85 HydrophobicContact CE2-CD1 3.44Å; Y28-I85 VanDerWaalsContact CE2-CD1 3.44Å; P39-I85 WeakPolarHBondContact CA-O 3.16Å; I40-I85 HydrophobicContact CB-CB 4.19Å; I40-I85 HydrophobicContact CB-CG2 4.23Å; I40-I85 HydrophobicContact CD1-CG2 4.23Å; I40-I85 PolarHBondContact N-O 2.88Å; G41-I85 PolarHBondContact O-N 2.84Å; I43-I85 HydrophobicContact CD1-CD1 4.11Å; I43-I85 HydrophobicContact CD1-CG1 4.05Å; I43-I85 HydrophobicContact CG1-CD1 4.07Å; I43-I85 HydrophobicContact CG1-CG1 4.16Å; V76-I85 HydrophobicContact CB-CG2 3.87Å; V76-I85 HydrophobicContact CG1-CG2 4.48Å; V76-I85 HydrophobicContact CG2-CG2 3.92Å; V78-I85 HydrophobicContact CG2-CG1 4.3Å; I85-I128 HydrophobicContact CD1-CD1 3.65Å; I85-I128 HydrophobicContact CD1-CG2 4.11Å
86F88Confident84Confident50 Ų5050 Ų5022%0.21926%0.263CS..EExtended strand (participates in β ladder)trans-129.7152.8177.9-59.9-92.9000111.2N37 V38 P39 V76 K77 E84N37-F86 WeakPolarHBondContact O-CD1 3.27Å; V38-F86 VanDerWaalsContact O-CA 3.26Å; V38-F86 WeakPolarHBondContact O-CA 3.44Å; P39-F86 HydrophobicContact CB-CD1 3.99Å; P39-F86 HydrophobicContact CB-CE1 3.79Å; V76-F86 CarbonylContact C-O 3.45Å; V76-F86 WeakPolarHBondContact CA-O 3.48Å; V76-F86 WeakPolarHBondContact CB-O 3.48Å; K77-F86 HydrophobicContact CG-CB 4Å; K77-F86 PolarHBondContact N-O 2.9Å; K77-F86 PolarHBondContact O-N 3.21Å; E84-F86 HydrophobicContact CB-CD2 4.33Å; E84-F86 HydrophobicContact CB-CE2 3.48Å; E84-F86 VanDerWaalsContact CB-CE2 3.48Å; E84-F86 HydrophobicContact CB-CZ 3.82Å; E84-F86 WeakPolarHBondContact O-CD2 3.15Å
87T86.4Confident83.7Confident4 Ų453.1 Ų53.13%0.02528%0.279CS..EExtended strand (participates in β ladder)trans-62.315116651.90000112.2L34 P35 E36 N37 V38 I40 K77L34-T87 HydrophobicContact CB-CG2 3.97Å; L34-T87 HydrophobicContact CD1-CG2 4.48Å; P35-T87 PolarHBondContact O-OG1 3.01Å; E36-T87 WeakPolarHBondContact CA-OG1 3.41Å; N37-T87 PolarHBondContact N-O 3Å; N37-T87 VanDerWaalsContact N-O 3.15Å; N37-T87 PolarHBondContact N-OG1 2.95Å; V38-T87 HydrophobicContact CB-CG2 4.22Å; V38-T87 PolarHBondContact N-OG1 2.94Å; V38-T87 PolarHBondContact O-N 3.38Å; V38-T87 VanDerWaalsContact O-N 3.08Å; I40-T87 HydrophobicContact CD1-CG2 4.01Å; I40-T87 HydrophobicContact CG1-CG2 4.4Å; K77-T87 VanDerWaalsContact CE-O 3.31Å; K77-T87 WeakPolarHBondContact CE-O 3.49Å
88T85.9Confident83.3Confident16 Ų1651.6 Ų51.610%0.09828%0.277CS..  trans-101.9-175.3172.268.50000112.2E36 P74 L75 K77 N90E36-T88 VanDerWaalsContact CG-C 3.43Å; P74-T88 WeakPolarHBondContact O-CG2 3.35Å; P74-T88 PolarHBondContact O-OG1 3.21Å; L75-T88 WeakPolarHBondContact O-CB 3.4Å; L75-T88 WeakPolarHBondContact O-CG2 3.48Å; L75-T88 PolarHBondContact O-N 3.11Å; L75-T88 PolarHBondContact O-OG1 2.9Å; K77-T88 HydrophobicContact CB-CG2 3.86Å; K77-T88 HydrophobicContact CD-CG2 4.15Å; K77-T88 HydrophobicContact CG-CG2 3.98Å; T88-N90 PolarHBondContact O-N 3.32Å; T88-N90 PolarHBondContact OG1-N 2.88Å
89S81Confident82.2Confident88 Ų8854.4 Ų54.462%0.61530%0.302SS*.SBendtrans-68.2-19.7171.759.20000113.3R91S89-R91 PolarHBondContact O-N 2.99Å
90N82.2Confident81Confident66 Ų6656.2 Ų56.235%0.35333%0.327SS..SBendtrans-78.1107.3171.4-70.60.8000107.3A73 L75 T88A73-N90 WeakPolarHBondContact CB-ND2 3.4Å; A73-N90 PolarHBondContact O-ND2 2.63Å; L75-N90 HydrophobicContact CD2-CB 4.18Å; T88-N90 PolarHBondContact O-N 3.32Å; T88-N90 PolarHBondContact OG1-N 2.88Å
91R81Confident79.5Confident155 Ų15556.3 Ų56.359%0.58533%0.332SS*.  trans-61.8145.5176.3-61-162.9-177.4-168.7-3.6110.4E33 S89 D93E33-R91 VanDerWaalsContact CD-CD 3.49Å; E33-R91 WeakPolarHBondContact OE1-CB 3.45Å; E33-R91 WeakPolarHBondContact OE1-CD 3.31Å; E33-R91 WeakPolarHBondContact OE2-CD 3.12Å; E33-R91 IonicContact OE2-CZ 3.86Å; E33-R91 IonicContact OE2-NE 2.63Å; E33-R91 IonicContact OE2-NH1 3.39Å; E33-R91 PolarHBondContact OE2-NH1 3.13Å; S89-R91 PolarHBondContact O-N 2.99Å; R91-D93 PolarHBondContact O-N 2.91Å
92I84.5Confident78Confident7 Ų756.2 Ų56.24%0.03633%0.331CS..  trans-90.299.2170.9-65.1171.3000103.4I30 E32 E33 L75 V76 L97 F111 V132I30-I92 HydrophobicContact CD1-CD1 3.41Å; I30-I92 VanDerWaalsContact CD1-CD1 3.41Å; I30-I92 HydrophobicContact CD1-CG2 4.1Å; E32-I92 WeakPolarHBondContact CA-O 3.43Å; E32-I92 VanDerWaalsContact CB-O 3.24Å; E32-I92 WeakPolarHBondContact CB-O 3.38Å; E33-I92 PolarHBondContact N-O 2.99Å; L75-I92 HydrophobicContact CB-CD1 4.18Å; L75-I92 HydrophobicContact CB-CG1 3.91Å; L75-I92 HydrophobicContact CD1-CG1 4.31Å; L75-I92 HydrophobicContact CD2-CG1 4.17Å; L75-I92 HydrophobicContact CG-CG1 4.35Å; V76-I92 HydrophobicContact CG1-CD1 4.07Å; I92-L97 HydrophobicContact CG2-CD1 3.67Å; I92-F111 HydrophobicContact CD1-CE1 4.05Å; I92-F111 HydrophobicContact CD1-CZ 3.83Å; I92-F111 HydrophobicContact CG1-CE1 4.46Å; I92-F111 HydrophobicContact CG2-CE1 4.16Å; I92-V132 HydrophobicContact CG2-CB 4.49Å; I92-V132 HydrophobicContact CG2-CG1 3.82Å; I92-V132 HydrophobicContact CG2-CG2 3.77Å
93D84Confident76.1Confident48 Ų4864.4 Ų64.426%0.25736%0.357SS..  trans-105.8123.8171.4108.250000106.5R91 K96 L97R91-D93 PolarHBondContact O-N 2.91Å; D93-K96 VanDerWaalsContact CG-CB 3.46Å; D93-K96 WeakPolarHBondContact OD1-CB 3.34Å; D93-K96 PolarHBondContact OD1-N 3.48Å; D93-K96 WeakPolarHBondContact OD2-CB 3.4Å; D93-K96 WeakPolarHBondContact OD2-CD 3.31Å; D93-K96 IonicContact OD2-NZ 2.75Å; D93-L97 WeakPolarHBondContact O-CB 3.37Å; D93-L97 PolarHBondContact O-N 3.31Å
94R85Confident74.2Confident29 Ų2967.7 Ų67.711%0.10939%0.385CS..Hα-helixtrans-77.8-39.4-162.9179-172166.7-892.8111.6E32 K96 L97 C98 C109 V132 D134 T171E32-R94 HydrophobicContact CB-CB 4.31Å; E32-R94 VanDerWaalsContact CD-CB 3.46Å; E32-R94 WeakPolarHBondContact OE1-CB 3.48Å; E32-R94 WeakPolarHBondContact OE2-CB 3.24Å; E32-R94 PolarHBondContact OE2-N 2.98Å; R94-K96 VanDerWaalsContact C-N 3.28Å; R94-K96 PolarHBondContact O-N 2.97Å; R94-L97 WeakPolarHBondContact O-CB 3.17Å; R94-L97 PolarHBondContact O-N 3.04Å; R94-L97 VanDerWaalsContact O-N 3.08Å; R94-C98 PolarHBondContact O-N 3.5Å; R94-C109 HydrophobicContact CG-CB 3.9Å; R94-V132 HydrophobicContact CB-CG1 3.85Å; R94-V132 HydrophobicContact CG-CB 4.48Å; R94-V132 HydrophobicContact CG-CG1 4.01Å; R94-D134 IonicContact CZ-OD1 2.99Å; R94-D134 IonicContact NE-OD1 3.26Å; R94-D134 IonicContact NH1-OD1 3.14Å; R94-D134 PolarHBondContact NH1-OD1 3.05Å; R94-D134 VanDerWaalsContact NH1-OD1 3.1Å; R94-D134 IonicContact NH2-OD1 3.36Å; R94-T171 VanDerWaalsContact CZ-OG1 3.28Å; R94-T171 VanDerWaalsContact NH1-CG2 3.33Å; R94-T171 PolarHBondContact NH1-OG1 2.9Å; R94-T171 PolarHBondContact NH2-OG1 3.23Å
95E84.3Confident72.5Confident37 Ų3775.2 Ų75.217%0.17342%0.42CS..Hα-helixtrans-66.3-36.1-174.4-73.251.7-10900109.8A99 P169E95-A99 WeakPolarHBondContact O-CA 3.05Å; E95-A99 WeakPolarHBondContact O-CB 3.35Å; E95-A99 PolarHBondContact O-N 2.96Å; E95-P169 HydrophobicContact CB-CB 4.43Å; E95-P169 HydrophobicContact CG-CB 3.7Å
96K80.9Confident70.8Confident160 Ų16081.7 Ų81.770%0.69645%0.45SS*.Hα-helixtrans-77.1-32.8171.2-174.1-177.9-178.9177.30113.7D93 R94D93-K96 VanDerWaalsContact CG-CB 3.46Å; D93-K96 WeakPolarHBondContact OD1-CB 3.34Å; D93-K96 PolarHBondContact OD1-N 3.48Å; D93-K96 WeakPolarHBondContact OD2-CB 3.4Å; D93-K96 WeakPolarHBondContact OD2-CD 3.31Å; D93-K96 IonicContact OD2-NZ 2.75Å; R94-K96 VanDerWaalsContact C-N 3.28Å; R94-K96 PolarHBondContact O-N 2.97Å
97L79.5Confident69.5Low68 Ų6886.9 Ų86.936%0.35648%0.48SS..Hα-helixtrans-67.4-40.1176.9-100.8165.8000112.4L75 I92 D93 R94 F111 V132L75-L97 HydrophobicContact CD1-CD1 4Å; L75-L97 HydrophobicContact CD1-CD2 4.03Å; L75-L97 HydrophobicContact CD1-CG 4.47Å; I92-L97 HydrophobicContact CG2-CD1 3.67Å; D93-L97 WeakPolarHBondContact O-CB 3.37Å; D93-L97 PolarHBondContact O-N 3.31Å; R94-L97 WeakPolarHBondContact O-CB 3.17Å; R94-L97 PolarHBondContact O-N 3.04Å; R94-L97 VanDerWaalsContact O-N 3.08Å; L97-F111 HydrophobicContact CD1-CD1 4.18Å; L97-F111 HydrophobicContact CD1-CE1 4.43Å; L97-V132 HydrophobicContact CD1-CG2 4.41Å
98C76.1Confident68.9Low36 Ų3691.1 Ų91.124%0.24350%0.499CS..SBendtrans-10919-177.1-72.40000113.3R94 G100 A101 C109R94-C98 PolarHBondContact O-N 3.5Å; C98-G100 PolarHBondContact O-N 2.81Å; C98-A101 HydrophobicContact CB-CB 4.17Å; C98-A101 WeakPolarHBondContact O-CB 3.35Å; C98-A101 PolarHBondContact O-N 3.15Å; C98-C109 HydrophobicContact CB-CB 3.97Å; C98-C109 WeakPolarHBondContact CB-SG 3.47Å; C98-C109 WeakPolarHBondContact SG-CA 3.15Å; C98-C109 WeakPolarHBondContact SG-CB 3.26Å; C98-C109 CovalentContact SG-SG 2.04Å; C98-C109 PolarHBondContact SG-SG 2.7Å
99A65.2Low68.7Low80 Ų8090.8 Ų90.866%0.66150%0.498SS*.THydrogen-bonded Turntrans-55.6102.2174.200000111.8E95E95-A99 WeakPolarHBondContact O-CA 3.05Å; E95-A99 WeakPolarHBondContact O-CB 3.35Å; E95-A99 PolarHBondContact O-N 2.96Å
100G58.9Low68.8Low72 Ų7290.4 Ų90.474%0.74249%0.485SS*.THydrogen-bonded Turntrans98.37.6-179.300000115.8C98 S102C98-G100 PolarHBondContact O-N 2.81Å; G100-S102 PolarHBondContact O-N 2.7Å
101A49.5Very low69Low73 Ų7388.7 Ų88.760%0.60347%0.474SS*.  trans-78.547176.700000113.6C98 Y103C98-A101 HydrophobicContact CB-CB 4.17Å; C98-A101 WeakPolarHBondContact O-CB 3.35Å; C98-A101 PolarHBondContact O-N 3.15Å; A101-Y103 PolarHBondContact O-N 2.94Å
102S47.3Very low69.2Low86 Ų8686.1 Ų86.160%0.60147%0.469SS*.  trans-87.57.6-171.156.60000116G100G100-S102 PolarHBondContact O-N 2.7Å
103Y42.6Very low69.2Low226 Ų22686.7 Ų86.789%0.88647%0.472SS*.SBendtrans-142.752.5-173.2-66.8-69.7000114.1A101A101-Y103 PolarHBondContact O-N 2.94Å
104A40.9Very low69.3Low70 Ų7087.4 Ų87.458%0.57947%0.474SS*.  trans-137137.5165.500000110E106A104-E106 PolarHBondContact O-N 2.8Å; A104-E106 VanDerWaalsContact O-N 3.16Å
105E50.2Low69.3Low209 Ų20986 Ų8698%0.97747%0.469SS*.SBendtrans-74.6-3.1-170.5-61.3-178.8133.600114.3
106E53.6Low69.2Low135 Ų13585 Ų8563%0.63147%0.465SS*.  trans-108.699.7173.7-65.9-175175.600109.8A104 E108A104-E106 PolarHBondContact O-N 2.8Å; A104-E106 VanDerWaalsContact O-N 3.16Å; E106-E108 PolarHBondContact O-N 2.92Å
107N60.7Low69.2Low159 Ų15977.6 Ų77.685%0.8543%0.433SS*.  trans-6620.9-178.1-92.1-3.7000115.5
108E73.2Confident68.9Low93 Ų9376.8 Ų76.844%0.43543%0.429SS..  trans-86.7113.3174.8-63.9-163.5140.500110E106 F110 K129 I131E106-E108 PolarHBondContact O-N 2.92Å; E108-F110 HydrophobicContact CB-CD1 4.47Å; E108-F110 VanDerWaalsContact O-CD1 3.26Å; E108-F110 WeakPolarHBondContact O-CD1 3.43Å; E108-F110 PolarHBondContact O-N 3.42Å; E108-K129 IonicContact OE2-NZ 3.14Å; E108-I131 HydrophobicContact CB-CG2 4.14Å; E108-I131 HydrophobicContact CG-CG2 4.38Å; E108-I131 WeakPolarHBondContact OE2-CD1 3.4Å
109C81.8Confident68.5Low9 Ų978 Ų786%0.06144%0.437CS..  trans-68.7119.1165.7-176.70000108.4R94 C98 V132R94-C109 HydrophobicContact CG-CB 3.9Å; C98-C109 HydrophobicContact CB-CB 3.97Å; C98-C109 WeakPolarHBondContact CB-SG 3.47Å; C98-C109 WeakPolarHBondContact SG-CA 3.15Å; C98-C109 WeakPolarHBondContact SG-CB 3.26Å; C98-C109 CovalentContact SG-SG 2.04Å; C98-C109 PolarHBondContact SG-SG 2.7Å; C109-V132 PolarHBondContact O-N 2.77Å
110F84.5Confident68.1Low81 Ų8180.5 Ų80.536%0.35544%0.439SS..EExtended strand (participates in β ladder)trans-142.2155.718070.5-98000113E108 E112 K129 I130 I131E108-F110 HydrophobicContact CB-CD1 4.47Å; E108-F110 VanDerWaalsContact O-CD1 3.26Å; E108-F110 WeakPolarHBondContact O-CD1 3.43Å; E108-F110 PolarHBondContact O-N 3.42Å; F110-E112 HydrophobicContact CD2-CG 4.49Å; F110-E112 HydrophobicContact CE2-CG 4.37Å; F110-K129 HydrophobicContact CB-CG 4.12Å; F110-K129 HydrophobicContact CD2-CD 4.17Å; F110-K129 VanDerWaalsContact CD2-CE 3.46Å; F110-K129 HydrophobicContact CD2-CG 3.74Å; F110-K129 VanDerWaalsContact CE1-CE 3.48Å; F110-K129 HydrophobicContact CE2-CD 4.46Å; F110-K129 HydrophobicContact CE2-CG 4.35Å; F110-K129 HydrophobicContact CG-CD 4.25Å; F110-K129 HydrophobicContact CG-CG 4.01Å; F110-I130 CarbonylContact C-O 3.52Å; F110-I130 WeakPolarHBondContact CA-O 3.39Å; F110-I130 WeakPolarHBondContact CB-O 3.49Å; F110-I131 HydrophobicContact CB-CG1 4.19Å
111F84.6Confident68.4Low29 Ų2984 Ų8413%0.12744%0.441CS..EExtended strand (participates in β ladder)trans-128.5144167.164.4-89.9000111I30 L75 V76 I92 L97 L113 I130 V132I30-F111 HydrophobicContact CD1-CE1 4.5Å; L75-F111 HydrophobicContact CB-CE2 4.3Å; L75-F111 HydrophobicContact CB-CZ 4.18Å; L75-F111 HydrophobicContact CD1-CD1 4.15Å; L75-F111 HydrophobicContact CD1-CD2 4.28Å; L75-F111 HydrophobicContact CD1-CE1 4.02Å; L75-F111 HydrophobicContact CD1-CE2 4.15Å; L75-F111 HydrophobicContact CD1-CG 4.28Å; L75-F111 HydrophobicContact CD1-CZ 4.02Å; V76-F111 HydrophobicContact CG1-CE2 4.37Å; V76-F111 HydrophobicContact CG1-CZ 4.12Å; V76-F111 HydrophobicContact CG2-CE2 4.5Å; I92-F111 HydrophobicContact CD1-CE1 4.05Å; I92-F111 HydrophobicContact CD1-CZ 3.83Å; I92-F111 HydrophobicContact CG1-CE1 4.46Å; I92-F111 HydrophobicContact CG2-CE1 4.16Å; L97-F111 HydrophobicContact CD1-CD1 4.18Å; L97-F111 HydrophobicContact CD1-CE1 4.43Å; F111-L113 HydrophobicContact CD2-CD2 4.18Å; F111-L113 HydrophobicContact CE2-CD2 3.79Å; F111-I130 HydrophobicContact CD1-CB 4.36Å; F111-I130 HydrophobicContact CD1-CG2 4.44Å; F111-I130 HydrophobicContact CD2-CB 4.37Å; F111-I130 HydrophobicContact CE1-CB 3.97Å; F111-I130 HydrophobicContact CE1-CG2 3.7Å; F111-I130 HydrophobicContact CE2-CB 3.99Å; F111-I130 HydrophobicContact CE2-CD1 3.93Å; F111-I130 HydrophobicContact CE2-CG1 4.29Å; F111-I130 HydrophobicContact CE2-CG2 4.4Å; F111-I130 HydrophobicContact CZ-CB 3.77Å; F111-I130 HydrophobicContact CZ-CD1 3.91Å; F111-I130 HydrophobicContact CZ-CG1 4.34Å; F111-I130 HydrophobicContact CZ-CG2 3.68Å; F111-I130 PolarHBondContact N-O 2.85Å; F111-I130 PolarHBondContact O-N 3.46Å; F111-V132 HydrophobicContact CD1-CG2 3.84Å; F111-V132 HydrophobicContact CE1-CG2 3.73Å
112E85.2Confident68.8Low101 Ų10184.6 Ų84.647%0.47243%0.429SS..EExtended strand (participates in β ladder)trans-97.6148.4176.5-73.8-175.5-145.600111.8F110 K127 I128F110-E112 HydrophobicContact CD2-CG 4.49Å; F110-E112 HydrophobicContact CE2-CG 4.37Å; E112-K127 IonicContact OE2-NZ 3.15Å; E112-K127 PolarHBondContact OE2-NZ 3.05Å; E112-I128 WeakPolarHBondContact CA-O 3.34Å
113L85.3Confident69.9Low20 Ų2086.2 Ų86.211%0.10543%0.426CS..EExtended strand (participates in β ladder)trans-144.9151.517061.5111.4000110.9L66 V76 F111 V115 I128 I130L66-L113 HydrophobicContact CD1-CB 4.08Å; L66-L113 HydrophobicContact CD1-CD1 3.58Å; L66-L113 HydrophobicContact CD1-CG 4.43Å; V76-L113 HydrophobicContact CG2-CD1 4.31Å; V76-L113 HydrophobicContact CG2-CD2 3.53Å; V76-L113 HydrophobicContact CG2-CG 4.49Å; F111-L113 HydrophobicContact CD2-CD2 4.18Å; F111-L113 HydrophobicContact CE2-CD2 3.79Å; L113-V115 HydrophobicContact CD1-CG2 3.83Å; L113-I128 HydrophobicContact CD1-CB 3.93Å; L113-I128 HydrophobicContact CD1-CD1 4.25Å; L113-I128 HydrophobicContact CD1-CG1 4.39Å; L113-I128 HydrophobicContact CD1-CG2 4.41Å; L113-I128 HydrophobicContact CG-CB 3.95Å; L113-I128 HydrophobicContact CG-CG2 4.43Å; L113-I128 PolarHBondContact N-O 3.08Å; L113-I128 PolarHBondContact O-N 3.11Å; L113-I130 HydrophobicContact CD2-CD1 3.52Å; L113-I130 HydrophobicContact CD2-CG1 3.85Å
114E86.2Confident71.4Confident62 Ų6280.9 Ų80.929%0.2940%0.404SS..EExtended strand (participates in β ladder)trans-112.1135.8-177.7-70.8-177.5169.600110.9V67 L125 I126 K127V67-E114 HydrophobicContact CB-CB 4.05Å; V67-E114 WeakPolarHBondContact CB-O 3.45Å; V67-E114 HydrophobicContact CG2-CB 4.47Å; V67-E114 PolarHBondContact N-O 2.6Å; E114-L125 HydrophobicContact CB-CD1 4.12Å; E114-I126 WeakPolarHBondContact CA-O 3.07Å; E114-K127 HydrophobicContact CG-CG 4.05Å; E114-K127 VanDerWaalsContact OE1-CE 3.26Å; E114-K127 WeakPolarHBondContact OE1-CE 3.49Å
115V84.3Confident73.3Confident0 Ų081.2 Ų81.20%040%0.396CS..EExtended strand (participates in β ladder)trans-124.6127.3177.7-172.40000109.6I43 R65 L66 V78 L113 I126 I128I43-V115 HydrophobicContact CD1-CB 4.03Å; I43-V115 HydrophobicContact CD1-CG1 3.79Å; I43-V115 HydrophobicContact CD1-CG2 3.87Å; R65-V115 WeakPolarHBondContact O-CA 3.38Å; L66-V115 HydrophobicContact CD1-CG2 4.3Å; V78-V115 HydrophobicContact CG1-CG1 4.21Å; V78-V115 HydrophobicContact CG2-CG2 3.93Å; L113-V115 HydrophobicContact CD1-CG2 3.83Å; V115-I126 PolarHBondContact N-O 2.89Å; V115-I126 PolarHBondContact O-N 3.3Å; V115-I128 HydrophobicContact CB-CD1 4.34Å; V115-I128 HydrophobicContact CG2-CD1 3.64Å; V115-I128 HydrophobicContact CG2-CG1 4.38Å
116V83Confident74.8Confident17 Ų1771.3 Ų71.310%0.10335%0.35CS..EExtended strand (participates in β ladder)trans-99.8138.5175.166.20000111.1R65 V67 L118 F123 R124 L125R65-V116 HydrophobicContact CB-CG1 3.9Å; R65-V116 PolarHBondContact N-O 2.9Å; R65-V116 PolarHBondContact O-N 2.9Å; V67-V116 HydrophobicContact CG2-CB 4.17Å; V67-V116 HydrophobicContact CG2-CG1 3.98Å; V116-L118 HydrophobicContact CG2-CD2 4.29Å; V116-L118 HydrophobicContact CG2-CG 4.45Å; V116-F123 HydrophobicContact CG2-CD2 3.9Å; V116-F123 HydrophobicContact CG2-CE2 3.4Å; V116-F123 VanDerWaalsContact CG2-CE2 3.4Å; V116-F123 HydrophobicContact CG2-CZ 3.93Å; V116-R124 CarbonylContact C-O 3.57Å; V116-R124 WeakPolarHBondContact CA-O 3.39Å; V116-L125 HydrophobicContact CB-CD1 4.26Å
117I79.7Confident76.3Confident3 Ų368.9 Ų68.92%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-101.6136.5170.7-58.5-176.7000109.1I49 L62 V63 Y64 F123 R124 I126I49-I117 HydrophobicContact CD1-CD1 3.4Å; I49-I117 VanDerWaalsContact CD1-CD1 3.4Å; L62-I117 HydrophobicContact CB-CG2 4.23Å; L62-I117 HydrophobicContact CD1-CG2 4.44Å; L62-I117 HydrophobicContact CD2-CG2 4.01Å; L62-I117 HydrophobicContact CG-CG2 4.46Å; V63-I117 WeakPolarHBondContact O-CA 3.45Å; Y64-I117 HydrophobicContact CD1-CD1 4.09Å; Y64-I117 HydrophobicContact CD1-CG1 3.79Å; Y64-I117 HydrophobicContact CE1-CD1 3.52Å; Y64-I117 HydrophobicContact CE1-CG1 3.72Å; I117-F123 WeakPolarHBondContact O-CA 3.24Å; I117-R124 HydrophobicContact CB-CB 4.41Å; I117-R124 PolarHBondContact N-O 3.35Å; I117-I126 HydrophobicContact CD1-CD1 3.49Å; I117-I126 VanDerWaalsContact CD1-CD1 3.49Å; I117-I126 HydrophobicContact CG1-CD1 3.86Å
118L74.4Confident77.5Confident51 Ų5161.3 Ų61.327%0.26730%0.297SS..EExtended strand (participates in β ladder)trans-131.6160.2179.4-64173.9000109.7L62 V63 V116 F123L62-L118 CarbonylContact C-O 3.52Å; L62-L118 VanDerWaalsContact CA-O 3.32Å; L62-L118 WeakPolarHBondContact CA-O 3.06Å; V63-L118 HydrophobicContact CB-CB 4.47Å; V63-L118 PolarHBondContact N-O 3.06Å; V63-L118 PolarHBondContact O-N 2.83Å; V116-L118 HydrophobicContact CG2-CD2 4.29Å; V116-L118 HydrophobicContact CG2-CG 4.45Å; L118-F123 HydrophobicContact CD2-CD2 4.09Å
119P67.7Low78.1Confident63 Ų6357.9 Ų57.941%0.40928%0.28SS..SBendcis-78.3176.85.233.7-37.6000114.5D121 F122 F123P119-D121 VanDerWaalsContact C-N 3.27Å; P119-D121 PolarHBondContact O-N 2.86Å; P119-D121 VanDerWaalsContact O-N 3.12Å; P119-F122 CarbonylContact O-C 3.58Å; P119-F122 PolarHBondContact O-N 3.4Å; P119-F123 PolarHBondContact O-N 2.77Å
120N56.3Low78.4Confident132 Ų13257.5 Ų57.571%0.70628%0.277SS*.G310 helixtrans-52.8-35.1-170.8-77.718.4000115.5F122 F123N120-F122 PolarHBondContact O-N 2.92Å; N120-F123 WeakPolarHBondContact O-CB 3.07Å; N120-F123 PolarHBondContact O-N 2.85Å
121D65.7Low78.3Confident146 Ų14654.2 Ų54.278%0.78126%0.263SS*.G310 helixtrans-60.2-16.6177.8-54-27.8000112.8P119P119-D121 VanDerWaalsContact C-N 3.27Å; P119-D121 PolarHBondContact O-N 2.86Å; P119-D121 VanDerWaalsContact O-N 3.12Å
122F58.6Low78.4Confident84 Ų8453 Ų5337%0.36826%0.258SS..G310 helixtrans-128.326.2177-65-83.3000112.5N53 A60 L62 P119 N120 R124N53-F122 WeakPolarHBondContact OD1-CZ 3.32Å; A60-F122 HydrophobicContact CB-CE2 4.29Å; L62-F122 HydrophobicContact CD2-CB 3.76Å; L62-F122 HydrophobicContact CD2-CD2 4.34Å; L62-F122 HydrophobicContact CD2-CG 4.04Å; P119-F122 CarbonylContact O-C 3.58Å; P119-F122 PolarHBondContact O-N 3.4Å; N120-F122 PolarHBondContact O-N 2.92Å; F122-R124 PolarHBondContact O-N 2.94Å; F122-R124 VanDerWaalsContact O-N 3.11Å
123F69.3Low78.3Confident120 Ų12053.9 Ų53.953%0.52626%0.261SS..  trans-56.5118.9179.2-177.3-86.7000111.2V116 I117 L118 P119 N120V116-F123 HydrophobicContact CG2-CD2 3.9Å; V116-F123 HydrophobicContact CG2-CE2 3.4Å; V116-F123 VanDerWaalsContact CG2-CE2 3.4Å; V116-F123 HydrophobicContact CG2-CZ 3.93Å; I117-F123 WeakPolarHBondContact O-CA 3.24Å; L118-F123 HydrophobicContact CD2-CD2 4.09Å; P119-F123 PolarHBondContact O-N 2.77Å; N120-F123 WeakPolarHBondContact O-CB 3.07Å; N120-F123 PolarHBondContact O-N 2.85Å
124R74.4Confident78.2Confident114 Ų11454.5 Ų54.543%0.4326%0.264SS..EExtended strand (participates in β ladder)trans-136.3137.7168.3-66.1-168.1-176.2-172.76.3109.4V116 I117 F122V116-R124 CarbonylContact C-O 3.57Å; V116-R124 WeakPolarHBondContact CA-O 3.39Å; I117-R124 HydrophobicContact CB-CB 4.41Å; I117-R124 PolarHBondContact N-O 3.35Å; F122-R124 PolarHBondContact O-N 2.94Å; F122-R124 VanDerWaalsContact O-N 3.11Å
125L80.4Confident78.1Confident77 Ų7753.7 Ų53.740%0.40326%0.263SS..EExtended strand (participates in β ladder)trans-101.7130.9163.5-171.467.9000107.7V67 E114 V116V67-L125 HydrophobicContact CG2-CD1 4.25Å; E114-L125 HydrophobicContact CB-CD1 4.12Å; V116-L125 HydrophobicContact CB-CD1 4.26Å
126I82.4Confident78.3Confident1 Ų154.9 Ų54.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-121.9124.9-177.4-63.3151.5000107.2L26 I43 L47 E114 V115 I117 I128L26-I126 HydrophobicContact CD1-CG2 3.91Å; L26-I126 HydrophobicContact CG-CG2 4.18Å; I43-I126 HydrophobicContact CG2-CD1 3.65Å; L47-I126 HydrophobicContact CD1-CD1 3.31Å; L47-I126 HydrophobicContact CD1-CG1 3.68Å; L47-I126 HydrophobicContact CD1-CG2 4.07Å; E114-I126 WeakPolarHBondContact CA-O 3.07Å; V115-I126 PolarHBondContact N-O 2.89Å; V115-I126 PolarHBondContact O-N 3.3Å; I117-I126 HydrophobicContact CD1-CD1 3.49Å; I117-I126 VanDerWaalsContact CD1-CD1 3.49Å; I117-I126 HydrophobicContact CG1-CD1 3.86Å; I126-I128 HydrophobicContact CG2-CD1 4.22Å; I126-I128 HydrophobicContact CG2-CG1 3.85Å
127K83.9Confident78.4Confident85 Ų8557.8 Ų57.837%0.3729%0.285SS..EExtended strand (participates in β ladder)trans-83.9140.6168.8-85.7-169.9161.8-132.10109.4Q24 E25 L26 E112 E114Q24-K127 PolarHBondContact O-N 3.36Å; E25-K127 CarbonylContact C-O 3.58Å; E25-K127 VanDerWaalsContact CA-O 3.28Å; E25-K127 WeakPolarHBondContact CA-O 3.28Å; E25-K127 HydrophobicContact CG-CB 4.26Å; L26-K127 PolarHBondContact N-O 3.07Å; E112-K127 IonicContact OE2-NZ 3.15Å; E112-K127 PolarHBondContact OE2-NZ 3.05Å; E114-K127 HydrophobicContact CG-CG 4.05Å; E114-K127 VanDerWaalsContact OE1-CE 3.26Å; E114-K127 WeakPolarHBondContact OE1-CE 3.49Å
128I86.7Confident78.8Confident0 Ų060 Ų600%030%0.296CS..EExtended strand (participates in β ladder)trans-132.7111.2-179.8-51.6-170000108.6L26 Y28 I43 I85 E112 L113 V115 I126 I130L26-I128 HydrophobicContact CB-CG1 4.22Å; L26-I128 HydrophobicContact CB-CG2 4.33Å; L26-I128 HydrophobicContact CD1-CD1 4.14Å; L26-I128 HydrophobicContact CD1-CG1 4.4Å; L26-I128 CarbonylContact O-C 3.5Å; L26-I128 VanDerWaalsContact O-CA 3.24Å; L26-I128 WeakPolarHBondContact O-CA 3.14Å; Y28-I128 HydrophobicContact CD2-CG2 3.43Å; Y28-I128 VanDerWaalsContact CD2-CG2 3.43Å; Y28-I128 HydrophobicContact CE2-CD1 4.46Å; Y28-I128 HydrophobicContact CE2-CG2 3.65Å; I43-I128 HydrophobicContact CD1-CD1 3.6Å; I43-I128 HydrophobicContact CG1-CD1 3.85Å; I85-I128 HydrophobicContact CD1-CD1 3.65Å; I85-I128 HydrophobicContact CD1-CG2 4.11Å; E112-I128 WeakPolarHBondContact CA-O 3.34Å; L113-I128 HydrophobicContact CD1-CB 3.93Å; L113-I128 HydrophobicContact CD1-CD1 4.25Å; L113-I128 HydrophobicContact CD1-CG1 4.39Å; L113-I128 HydrophobicContact CD1-CG2 4.41Å; L113-I128 HydrophobicContact CG-CB 3.95Å; L113-I128 HydrophobicContact CG-CG2 4.43Å; L113-I128 PolarHBondContact N-O 3.08Å; L113-I128 PolarHBondContact O-N 3.11Å; V115-I128 HydrophobicContact CB-CD1 4.34Å; V115-I128 HydrophobicContact CG2-CD1 3.64Å; V115-I128 HydrophobicContact CG2-CG1 4.38Å; I126-I128 HydrophobicContact CG2-CD1 4.22Å; I126-I128 HydrophobicContact CG2-CG1 3.85Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å
129K86.5Confident79.4Confident21 Ų2158.9 Ų58.99%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-89.5116.2174.9-171.9-173.8-175-166.90107.8L26 I27 Y28 E108 F110L26-K129 PolarHBondContact O-N 2.87Å; I27-K129 WeakPolarHBondContact CA-O 3.03Å; I27-K129 HydrophobicContact CG1-CB 4.33Å; Y28-K129 PolarHBondContact N-O 3.13Å; E108-K129 IonicContact OE2-NZ 3.14Å; F110-K129 HydrophobicContact CB-CG 4.12Å; F110-K129 HydrophobicContact CD2-CD 4.17Å; F110-K129 VanDerWaalsContact CD2-CE 3.46Å; F110-K129 HydrophobicContact CD2-CG 3.74Å; F110-K129 VanDerWaalsContact CE1-CE 3.48Å; F110-K129 HydrophobicContact CE2-CD 4.46Å; F110-K129 HydrophobicContact CE2-CG 4.35Å; F110-K129 HydrophobicContact CG-CD 4.25Å; F110-K129 HydrophobicContact CG-CG 4.01Å
130I86.3Confident80.6Confident0 Ų055.9 Ų55.90%028%0.276CS..EExtended strand (participates in β ladder)trans-102109.5173.1-63.5-169.4000108.5Y28 I30 I40 V76 F110 F111 L113 I128Y28-I130 WeakPolarHBondContact O-CA 3.02Å; I30-I130 HydrophobicContact CD1-CG2 3.52Å; I30-I130 HydrophobicContact CG1-CG2 3.63Å; I30-I130 HydrophobicContact CG2-CG2 4.36Å; I40-I130 HydrophobicContact CD1-CD1 4.34Å; I40-I130 HydrophobicContact CG2-CD1 4.3Å; V76-I130 HydrophobicContact CG1-CD1 3.94Å; V76-I130 HydrophobicContact CG2-CD1 4.18Å; F110-I130 CarbonylContact C-O 3.52Å; F110-I130 WeakPolarHBondContact CA-O 3.39Å; F110-I130 WeakPolarHBondContact CB-O 3.49Å; F111-I130 HydrophobicContact CD1-CB 4.36Å; F111-I130 HydrophobicContact CD1-CG2 4.44Å; F111-I130 HydrophobicContact CD2-CB 4.37Å; F111-I130 HydrophobicContact CE1-CB 3.97Å; F111-I130 HydrophobicContact CE1-CG2 3.7Å; F111-I130 HydrophobicContact CE2-CB 3.99Å; F111-I130 HydrophobicContact CE2-CD1 3.93Å; F111-I130 HydrophobicContact CE2-CG1 4.29Å; F111-I130 HydrophobicContact CE2-CG2 4.4Å; F111-I130 HydrophobicContact CZ-CB 3.77Å; F111-I130 HydrophobicContact CZ-CD1 3.91Å; F111-I130 HydrophobicContact CZ-CG1 4.34Å; F111-I130 HydrophobicContact CZ-CG2 3.68Å; F111-I130 PolarHBondContact N-O 2.85Å; F111-I130 PolarHBondContact O-N 3.46Å; L113-I130 HydrophobicContact CD2-CD1 3.52Å; L113-I130 HydrophobicContact CD2-CG1 3.85Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å
131I84.1Confident82.3Confident12 Ų1255 Ų556%0.06227%0.269CS..EExtended strand (participates in β ladder)trans-81.8126.7171.9-60.3158.3000108.4I27 Y28 T29 I30 E108 F110I27-I131 HydrophobicContact CG2-CD1 3.46Å; I27-I131 VanDerWaalsContact CG2-CD1 3.46Å; I27-I131 HydrophobicContact CG2-CG1 4.23Å; Y28-I131 PolarHBondContact O-N 2.75Å; T29-I131 WeakPolarHBondContact CA-O 3.31Å; T29-I131 HydrophobicContact CG2-CB 4.16Å; T29-I131 HydrophobicContact CG2-CG2 4.16Å; I30-I131 PolarHBondContact N-O 2.97Å; E108-I131 HydrophobicContact CB-CG2 4.14Å; E108-I131 HydrophobicContact CG-CG2 4.38Å; E108-I131 WeakPolarHBondContact OE2-CD1 3.4Å; F110-I131 HydrophobicContact CB-CG1 4.19Å
132V85.5Confident83.5Confident4 Ų449.2 Ų49.22%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-98.9115.7179.8-174.40000109I30 E32 I92 R94 L97 C109 F111I30-V132 HydrophobicContact CD1-CG2 4.46Å; I30-V132 HydrophobicContact CG1-CG2 4.47Å; E32-V132 HydrophobicContact CB-CG1 3.79Å; I92-V132 HydrophobicContact CG2-CB 4.49Å; I92-V132 HydrophobicContact CG2-CG1 3.82Å; I92-V132 HydrophobicContact CG2-CG2 3.77Å; R94-V132 HydrophobicContact CB-CG1 3.85Å; R94-V132 HydrophobicContact CG-CB 4.48Å; R94-V132 HydrophobicContact CG-CG1 4.01Å; L97-V132 HydrophobicContact CD1-CG2 4.41Å; C109-V132 PolarHBondContact O-N 2.77Å; F111-V132 HydrophobicContact CD1-CG2 3.84Å; F111-V132 HydrophobicContact CE1-CG2 3.73Å
133K82.7Confident85Confident120 Ų12049.4 Ų49.452%0.52225%0.246SC..EExtended strand (participates in β ladder)trans-88.1122.1174.5-77.4-178.5168.6161.80111.4T29 I30 R31 E32 T135T29-K133 HydrophobicContact CG2-CD 3.6Å; T29-K133 VanDerWaalsContact CG2-CE 3.47Å; T29-K133 HydrophobicContact CG2-CG 3.76Å; I30-K133 WeakPolarHBondContact O-CB 3.49Å; I30-K133 PolarHBondContact O-N 3.43Å; R31-K133 WeakPolarHBondContact CA-O 3.43Å; R31-K133 HydrophobicContact CG-CB 4.39Å; E32-K133 PolarHBondContact N-O 3.09Å; K133-T135 PolarHBondContact O-OG1 2.97Å
134D83.9Confident86.1Confident33 Ų3346.7 Ų46.718%0.17624%0.242CC..  trans-37.2130.3164.6-166.3119.9000112E32 R94 T171 N174E32-D134 WeakPolarHBondContact OE1-CA 3.31Å; R94-D134 IonicContact CZ-OD1 2.99Å; R94-D134 IonicContact NE-OD1 3.26Å; R94-D134 IonicContact NH1-OD1 3.14Å; R94-D134 PolarHBondContact NH1-OD1 3.05Å; R94-D134 VanDerWaalsContact NH1-OD1 3.1Å; R94-D134 IonicContact NH2-OD1 3.36Å; D134-T171 WeakPolarHBondContact OD1-CA 3.14Å; D134-T171 WeakPolarHBondContact OD1-CB 3.44Å; D134-T171 PolarHBondContact OD1-N 3.47Å; D134-T171 PolarHBondContact OD1-OG1 2.87Å; D134-N174 WeakPolarHBondContact OD2-CB 3.42Å; D134-N174 PolarHBondContact OD2-ND2 2.88Å
135T84.8Confident86.9Confident44 Ų4446.3 Ų46.327%0.2725%0.254SS..  trans-135.3124.1176.6-63.20000109.1E32 K133 D137E32-T135 PolarHBondContact OE1-N 2.94Å; K133-T135 PolarHBondContact O-OG1 2.97Å; T135-D137 WeakPolarHBondContact O-CB 3.4Å; T135-D137 PolarHBondContact O-N 3.07Å
136N87.2Confident87.5Confident26 Ų2645.6 Ų45.614%0.13925%0.253CS..SBendtrans-58.190.4-173-155.9107.9000112.7D170 N174 D226 G228 K232N136-D170 VanDerWaalsContact C-OD2 3.29Å; N136-D170 WeakPolarHBondContact CA-OD2 3.35Å; N136-N174 HydrophobicContact CB-CB 4.06Å; N136-N174 PolarHBondContact N-ND2 3.49Å; N136-N174 VanDerWaalsContact N-ND2 3.16Å; N136-N174 VanDerWaalsContact OD1-CA 3.26Å; N136-N174 WeakPolarHBondContact OD1-CA 3.27Å; N136-N174 WeakPolarHBondContact OD1-CB 3.37Å; N136-N174 PolarHBondContact OD1-O 2.99Å; N136-D226 PolarHBondContact ND2-OD2 2.65Å; N136-G228 VanDerWaalsContact CG-CA 3.41Å; N136-G228 WeakPolarHBondContact OD1-CA 3.28Å; N136-G228 PolarHBondContact OD1-N 3.49Å; N136-K232 PolarHBondContact ND2-NZ 3.12Å; N136-K232 PolarHBondContact O-NZ 2.86Å
137D85.9Confident88Confident77 Ų7746 Ų4641%0.41226%0.255SS..  trans-118.2-41.9-164.2152.1-84.4000110T135 D170 K232T135-D137 WeakPolarHBondContact O-CB 3.4Å; T135-D137 PolarHBondContact O-N 3.07Å; D137-D170 PolarHBondContact N-OD2 2.74Å; D137-K232 VanDerWaalsContact CA-NZ 3.27Å; D137-K232 PolarHBondContact O-NZ 3.39Å
138N87.2Confident88.4Confident49 Ų4947.7 Ų47.726%0.26227%0.268SS..SBendtrans-82.6-174.9170.6-60.1-84.2000111.9D168 P169 D170 K232N138-D168 WeakPolarHBondContact CB-OD1 3.34Å; N138-P169 HydrophobicContact CB-CB 4.29Å; N138-P169 HydrophobicContact CB-CG 4Å; N138-D170 VanDerWaalsContact CB-OD1 3.23Å; N138-D170 WeakPolarHBondContact CB-OD1 3.48Å; N138-D170 PolarHBondContact N-OD1 3.19Å; N138-D170 PolarHBondContact N-OD2 3.28Å; N138-D170 VanDerWaalsContact N-OD2 3.07Å; N138-D170 PolarHBondContact ND2-OD1 3.3Å; N138-K232 WeakPolarHBondContact O-CD 3.08Å; N138-K232 PolarHBondContact O-NZ 3.23Å
139A88.3Confident88.7Confident29 Ų2948.5 Ų48.524%0.2427%0.272CS..  trans-146.5148.2-179.400000109M141 D168 K232A139-M141 PolarHBondContact O-N 3.06Å; A139-D168 VanDerWaalsContact C-OD2 3.29Å; A139-K232 HydrophobicContact CB-CB 3.88Å; A139-K232 HydrophobicContact CB-CD 4.05Å
140P93.1Very high88.9Confident0 Ų050.9 Ų50.90%029%0.291CS..  trans-74.6117.5-172.727.6-33.2000109.9D168 V176 V224 D226 S234P140-D168 VanDerWaalsContact CA-OD2 3.32Å; P140-D168 WeakPolarHBondContact CA-OD2 3.37Å; P140-D168 HydrophobicContact CB-CB 4.17Å; P140-D168 WeakPolarHBondContact CB-OD2 3.38Å; P140-D168 WeakPolarHBondContact CD-OD2 2.81Å; P140-V176 HydrophobicContact CB-CG2 3.9Å; P140-V224 HydrophobicContact CB-CB 4.48Å; P140-V224 HydrophobicContact CB-CG1 3.86Å; P140-V224 HydrophobicContact CB-CG2 3.86Å; P140-V224 HydrophobicContact CG-CG1 4Å; P140-V224 HydrophobicContact CG-CG2 4.19Å; P140-V224 WeakPolarHBondContact O-CG1 3.38Å; P140-D226 HydrophobicContact CG-CB 4.33Å; P140-S234 VanDerWaalsContact O-CB 3.23Å; P140-S234 WeakPolarHBondContact O-CB 3.43Å; P140-S234 PolarHBondContact O-OG 3.34Å
141M90.8Very high89.2Confident114 Ų11450.9 Ų50.956%0.56229%0.291SS*.BIsolated β-bridgetrans-117.1132.3-173.9-73.8-171.9-70.200112.6A139 A166 T167A139-M141 PolarHBondContact O-N 3.06Å; M141-A166 CarbonylContact O-C 3.59Å; M141-A166 VanDerWaalsContact O-CA 3.26Å; M141-A166 WeakPolarHBondContact O-CA 3.39Å; M141-T167 PolarHBondContact N-O 2.81Å; M141-T167 PolarHBondContact O-N 2.89Å
142F92.4Very high89.6Confident23 Ų2352.4 Ų52.410%0.10130%0.302CS..  trans-71.6145.5166.7-67.9-76.1000111.2S144 I147 P164 A166 Y179 I222 V224 A236F142-S144 PolarHBondContact O-N 2.89Å; F142-S144 VanDerWaalsContact O-N 3.09Å; F142-I147 HydrophobicContact CD1-CD1 3.98Å; F142-I147 HydrophobicContact CE1-CD1 4.48Å; F142-I147 HydrophobicContact CG-CD1 4.4Å; F142-P164 WeakPolarHBondContact CD1-O 3.42Å; F142-A166 HydrophobicContact CD1-CB 4Å; F142-A166 HydrophobicContact CE1-CB 4.04Å; F142-A166 HydrophobicContact CG-CB 4.3Å; F142-A166 HydrophobicContact CZ-CB 4.36Å; F142-Y179 HydrophobicContact CE1-CD1 4.31Å; F142-Y179 AromaticContact CE1-CE1 3.83Å; F142-Y179 HydrophobicContact CE1-CE1 3.83Å; F142-Y179 AromaticContact CZ-CD1 3.99Å; F142-Y179 HydrophobicContact CZ-CD1 3.99Å; F142-Y179 AromaticContact CZ-CE1 3.86Å; F142-Y179 HydrophobicContact CZ-CE1 3.86Å; F142-I222 HydrophobicContact CE1-CD1 4.2Å; F142-I222 HydrophobicContact CE1-CG2 4Å; F142-I222 HydrophobicContact CE2-CG2 3.98Å; F142-I222 HydrophobicContact CZ-CB 4.28Å; F142-I222 HydrophobicContact CZ-CD1 4.01Å; F142-I222 HydrophobicContact CZ-CG1 3.86Å; F142-I222 HydrophobicContact CZ-CG2 3.62Å; F142-V224 HydrophobicContact CD2-CG1 4.1Å; F142-V224 HydrophobicContact CE2-CB 3.92Å; F142-V224 HydrophobicContact CE2-CG1 3.5Å; F142-V224 HydrophobicContact CZ-CB 3.84Å; F142-V224 HydrophobicContact CZ-CG1 3.89Å; F142-A236 HydrophobicContact CB-CB 4.05Å; F142-A236 HydrophobicContact CD2-CB 3.64Å; F142-A236 HydrophobicContact CE2-CB 4.23Å; F142-A236 HydrophobicContact CG-CB 3.83Å
143P90.2Very high89.8Confident89 Ų8952.7 Ų52.758%0.57830%0.303SS*.SBendtrans-67.9-8.6179.627.9-36.1000114.1P164 S165P143-P164 HydrophobicContact CG-CB 3.82Å; P143-S165 WeakPolarHBondContact CD-O 3.36Å
144S90.8Very high90Very high62 Ų6251.9 Ų51.943%0.43431%0.305SS..SBendtrans-151.7144.6173.2-74.50000111.1F142 V146F142-S144 PolarHBondContact O-N 2.89Å; F142-S144 VanDerWaalsContact O-N 3.09Å; S144-V146 WeakPolarHBondContact CB-O 3.43Å; S144-V146 PolarHBondContact O-N 3.33Å
145P91.4Very high90.4Very high107 Ų10751.2 Ų51.270%0.69530%0.302SS*.SBendtrans-73.6-16179.631-36.3000113.3A236 I237P145-A236 WeakPolarHBondContact O-CA 3.13Å; P145-I237 PolarHBondContact O-N 2.89Å
146V93.5Very high90.5Very high62 Ų6255.8 Ų55.838%0.37632%0.324SS..EExtended strand (participates in β ladder)trans-128.6131172.6-172.20000107.8S144 N148 I237 Q239S144-V146 WeakPolarHBondContact CB-O 3.43Å; S144-V146 PolarHBondContact O-N 3.33Å; V146-N148 WeakPolarHBondContact CG1-OD1 3.43Å; V146-I237 CarbonylContact C-O 3.37Å; V146-I237 WeakPolarHBondContact CA-O 3.25Å; V146-I237 HydrophobicContact CG1-CB 4.41Å; V146-I237 HydrophobicContact CG2-CB 4.35Å; V146-Q239 HydrophobicContact CG1-CB 4.49Å
147I92.9Very high90.6Very high10 Ų1058 Ų585%0.05134%0.335CS..EExtended strand (participates in β ladder)trans-116112177.7-59.3172.8000106.6F142 I149 I163 P164 I222 A236 I237 L238 Q239F142-I147 HydrophobicContact CD1-CD1 3.98Å; F142-I147 HydrophobicContact CE1-CD1 4.48Å; F142-I147 HydrophobicContact CG-CD1 4.4Å; I147-I149 HydrophobicContact CG2-CD1 4.48Å; I147-I149 HydrophobicContact CG2-CG1 4.18Å; I147-I163 HydrophobicContact CD1-CG2 3.86Å; I147-I163 HydrophobicContact CG2-CG2 4.44Å; I147-P164 HydrophobicContact CG2-CG 4.33Å; I147-I222 HydrophobicContact CD1-CG2 4.25Å; I147-A236 HydrophobicContact CD1-CB 3.83Å; I147-A236 HydrophobicContact CG1-CB 4.13Å; I147-I237 PolarHBondContact N-O 2.86Å; I147-L238 HydrophobicContact CB-CD1 3.98Å; I147-L238 HydrophobicContact CG2-CD1 3.8Å; I147-Q239 PolarHBondContact O-N 2.93Å
148N92.8Very high90.7Very high119 Ų11960 Ų6064%0.63635%0.346SS*.EExtended strand (participates in β ladder)trans-94125.8177.6-66.1-19.4000109.4V146 Q239V146-N148 WeakPolarHBondContact CG1-OD1 3.43Å; N148-Q239 WeakPolarHBondContact CA-O 3.43Å
149I91.9Very high90.9Very high18 Ų1859.1 Ų59.19%0.09234%0.343CS..EExtended strand (participates in β ladder)trans-124.5124.9172.7-52.8-172.1000108.5I147 I151 F161 I163 L204 L238 Q239 V240 T241I147-I149 HydrophobicContact CG2-CD1 4.48Å; I147-I149 HydrophobicContact CG2-CG1 4.18Å; I149-I151 HydrophobicContact CG2-CD1 4.11Å; I149-I151 HydrophobicContact CG2-CG1 3.79Å; I149-F161 HydrophobicContact CG2-CB 4.16Å; I149-F161 HydrophobicContact CG2-CD1 4.3Å; I149-F161 HydrophobicContact CG2-CG 4.4Å; I149-I163 HydrophobicContact CD1-CG1 4.07Å; I149-L204 HydrophobicContact CD1-CD2 4.5Å; I149-L238 HydrophobicContact CD1-CD1 3.78Å; I149-L238 HydrophobicContact CG1-CD1 4.06Å; I149-Q239 PolarHBondContact N-O 2.78Å; I149-V240 VanDerWaalsContact O-CA 3.31Å; I149-V240 WeakPolarHBondContact O-CA 3.5Å; I149-T241 PolarHBondContact O-N 2.7Å
150S91.9Very high91.1Very high70 Ų7063.5 Ų63.549%0.4935%0.354SS..EExtended strand (participates in β ladder)trans-98.3127.8172.2-1690000109.4T241 S243S150-T241 WeakPolarHBondContact CA-O 3.19Å; S150-S243 WeakPolarHBondContact OG-CB 2.97Å; S150-S243 PolarHBondContact OG-OG 2.97Å
151I93Very high91.1Very high0 Ų065.5 Ų65.50%036%0.363CS..EExtended strand (participates in β ladder)trans-128.5120.6-176.4-59.6-176000108.8I149 T155 F161 F188 L204 V206 L210 V240 T241 V242 S243I149-I151 HydrophobicContact CG2-CD1 4.11Å; I149-I151 HydrophobicContact CG2-CG1 3.79Å; I151-T155 HydrophobicContact CG2-CG2 3.91Å; I151-T155 WeakPolarHBondContact CG2-OG1 3.45Å; I151-F161 HydrophobicContact CB-CE1 4.49Å; I151-F161 HydrophobicContact CB-CZ 4.31Å; I151-F161 HydrophobicContact CD1-CD1 4.35Å; I151-F161 HydrophobicContact CD1-CD2 3.7Å; I151-F161 HydrophobicContact CD1-CE2 3.92Å; I151-F161 HydrophobicContact CD1-CG 3.95Å; I151-F161 HydrophobicContact CD1-CZ 4.34Å; I151-F161 HydrophobicContact CG1-CD1 4.02Å; I151-F161 HydrophobicContact CG1-CD2 4.18Å; I151-F161 HydrophobicContact CG1-CE1 3.96Å; I151-F161 HydrophobicContact CG1-CE2 4.14Å; I151-F161 HydrophobicContact CG1-CG 4.14Å; I151-F161 HydrophobicContact CG1-CZ 4.04Å; I151-F161 HydrophobicContact CG2-CE1 4.29Å; I151-F161 HydrophobicContact CG2-CE2 3.86Å; I151-F161 HydrophobicContact CG2-CZ 3.65Å; I151-F188 HydrophobicContact CD1-CE1 3.86Å; I151-L204 HydrophobicContact CD1-CD2 4.16Å; I151-V206 HydrophobicContact CD1-CG2 4.42Å; I151-V206 HydrophobicContact CG2-CG2 4.33Å; I151-L210 HydrophobicContact CB-CD1 4.21Å; I151-L210 HydrophobicContact CG2-CD1 3.45Å; I151-L210 VanDerWaalsContact CG2-CD1 3.45Å; I151-V240 HydrophobicContact CD1-CG1 3.71Å; I151-V240 HydrophobicContact CG1-CG1 4.03Å; I151-T241 PolarHBondContact N-O 2.93Å; I151-V242 CarbonylContact O-C 3.58Å; I151-V242 VanDerWaalsContact O-CA 3.28Å; I151-V242 WeakPolarHBondContact O-CA 3.22Å; I151-S243 PolarHBondContact O-N 3.17Å; I151-S243 PolarHBondContact O-OG 2.72Å
152P91Very high91.1Very high45 Ų4564.9 Ų64.929%0.29237%0.367SS..EExtended strand (participates in β ladder)trans-60.3142173.7-2434.4000111.6N154 T155 S243 V245P152-N154 VanDerWaalsContact C-N 3.34Å; P152-N154 WeakPolarHBondContact CB-OD1 3.48Å; P152-N154 PolarHBondContact O-N 3.46Å; P152-T155 WeakPolarHBondContact O-CB 3.43Å; P152-T155 PolarHBondContact O-N 2.74Å; P152-T155 VanDerWaalsContact O-N 3.13Å; P152-T155 PolarHBondContact O-OG1 3.4Å; P152-S243 WeakPolarHBondContact CA-O 3Å; P152-S243 WeakPolarHBondContact CA-OG 3.39Å; P152-V245 HydrophobicContact CB-CG2 3.9Å
153E89.9Confident91.1Very high9 Ų964 Ų644%0.04236%0.363CS..THydrogen-bonded Turntrans-66.7-32.7-178.961.3-148.3114.900114.6T155 L210 R212 V242 S243 D244 V245E153-T155 PolarHBondContact O-N 2.69Å; E153-L210 HydrophobicContact CB-CB 4.07Å; E153-R212 WeakPolarHBondContact OE2-CA 3.35Å; E153-R212 WeakPolarHBondContact OE2-CB 3.16Å; E153-R212 PolarHBondContact OE2-N 2.89Å; E153-V242 HydrophobicContact CB-CG1 3.61Å; E153-S243 PolarHBondContact N-O 3.19Å; E153-D244 VanDerWaalsContact OE1-CA 3.29Å; E153-D244 WeakPolarHBondContact OE1-CA 3.4Å; E153-V245 HydrophobicContact CG-CB 3.98Å; E153-V245 HydrophobicContact CG-CG2 4.06Å; E153-V245 PolarHBondContact OE1-N 2.61Å
154N88.1Confident91.1Very high103 Ų10362.7 Ų62.755%0.55136%0.355SS*.THydrogen-bonded Turntrans-67.16.2173.374.5-4.1000114.4P152 L156 V245P152-N154 VanDerWaalsContact C-N 3.34Å; P152-N154 WeakPolarHBondContact CB-OD1 3.48Å; P152-N154 PolarHBondContact O-N 3.46Å; N154-L156 PolarHBondContact O-N 3.35Å; N154-V245 HydrophobicContact CB-CG1 4.22Å; N154-V245 HydrophobicContact CB-CG2 4.38Å
155T90.7Very high91.1Very high20 Ų2061.6 Ų61.612%0.12335%0.347CS..PPolyproline II helixtrans-62.4123.7176.4-72.50000111.5I151 P152 E153 S159 F161 V206I151-T155 HydrophobicContact CG2-CG2 3.91Å; I151-T155 WeakPolarHBondContact CG2-OG1 3.45Å; P152-T155 WeakPolarHBondContact O-CB 3.43Å; P152-T155 PolarHBondContact O-N 2.74Å; P152-T155 VanDerWaalsContact O-N 3.13Å; P152-T155 PolarHBondContact O-OG1 3.4Å; E153-T155 PolarHBondContact O-N 2.69Å; T155-S159 WeakPolarHBondContact CG2-OG 3.39Å; T155-F161 HydrophobicContact CG2-CE2 3.74Å; T155-F161 HydrophobicContact CG2-CZ 3.8Å; T155-V206 HydrophobicContact CG2-CB 4.35Å; T155-V206 HydrophobicContact CG2-CG2 3.82Å
156L88.3Confident91.1Very high139 Ų13956.9 Ų56.973%0.72832%0.317SS*.PPolyproline II helixtrans-65.2145.8-179.9-60.6176.7000112.5N154 S159N154-L156 PolarHBondContact O-N 3.35Å; L156-S159 WeakPolarHBondContact O-CB 3.47Å; L156-S159 PolarHBondContact O-N 3.2Å; L156-S159 VanDerWaalsContact O-N 3.13Å; L156-S159 PolarHBondContact O-OG 3.33Å
157I87.9Confident90.8Very high74 Ų7458.6 Ų58.638%0.37933%0.328SS..THydrogen-bonded Turntrans-57.6140170.2-50.1178.3000109.7S159 V206 N209I157-S159 VanDerWaalsContact C-N 3.26Å; I157-S159 PolarHBondContact O-N 3.35Å; I157-V206 WeakPolarHBondContact CA-O 3.3Å; I157-V206 WeakPolarHBondContact CG2-O 3.36Å; I157-N209 WeakPolarHBondContact CD1-OD1 3.46Å
158N89Confident90.6Very high118 Ų11859.4 Ų59.463%0.63133%0.332SS*.THydrogen-bonded Turntrans718.3-173.4-46.7-73.6000115.6V206N158-V206 PolarHBondContact N-O 3.38Å
159S92Very high90.2Very high30 Ų3056.6 Ų56.621%0.2132%0.321CS..  trans-58.5154.4157.657.70000111.2T155 L156 I157 I205 V206T155-S159 WeakPolarHBondContact CG2-OG 3.39Å; L156-S159 WeakPolarHBondContact O-CB 3.47Å; L156-S159 PolarHBondContact O-N 3.2Å; L156-S159 VanDerWaalsContact O-N 3.13Å; L156-S159 PolarHBondContact O-OG 3.33Å; I157-S159 VanDerWaalsContact C-N 3.26Å; I157-S159 PolarHBondContact O-N 3.35Å; S159-I205 WeakPolarHBondContact O-CA 3.31Å; S159-V206 PolarHBondContact O-N 2.8Å; S159-V206 WeakPolarHBondContact OG-CB 3.42Å; S159-V206 WeakPolarHBondContact OG-CG2 3.25Å
160R91.8Very high89.9Confident122 Ų12256 Ų5646%0.4632%0.317SS..EExtended strand (participates in β ladder)trans-133.8126.7-169.7-55.3177.1160.8-116.5-8.8109.9D191 Q203 L204 I205R160-D191 IonicContact CZ-OD2 2.66Å; R160-D191 IonicContact NH1-OD2 2.67Å; R160-D191 PolarHBondContact NH1-OD2 2.56Å; R160-D191 IonicContact NH2-OD2 3.96Å; R160-D191 PolarHBondContact NH2-OD2 3.28Å; R160-Q203 VanDerWaalsContact NH1-OE1 3.14Å; R160-L204 WeakPolarHBondContact CA-O 3.41Å; R160-I205 HydrophobicContact CG-CD1 3.97Å; R160-I205 HydrophobicContact CG-CG1 4.08Å
161F92.2Very high89.3Confident42 Ų4255.5 Ų55.518%0.18431%0.311CS..EExtended strand (participates in β ladder)trans-115.4120.2178-64.1-95.1000108.7I149 I151 T155 I163 Q203 L204 V206I149-F161 HydrophobicContact CG2-CB 4.16Å; I149-F161 HydrophobicContact CG2-CD1 4.3Å; I149-F161 HydrophobicContact CG2-CG 4.4Å; I151-F161 HydrophobicContact CB-CE1 4.49Å; I151-F161 HydrophobicContact CB-CZ 4.31Å; I151-F161 HydrophobicContact CD1-CD1 4.35Å; I151-F161 HydrophobicContact CD1-CD2 3.7Å; I151-F161 HydrophobicContact CD1-CE2 3.92Å; I151-F161 HydrophobicContact CD1-CG 3.95Å; I151-F161 HydrophobicContact CD1-CZ 4.34Å; I151-F161 HydrophobicContact CG1-CD1 4.02Å; I151-F161 HydrophobicContact CG1-CD2 4.18Å; I151-F161 HydrophobicContact CG1-CE1 3.96Å; I151-F161 HydrophobicContact CG1-CE2 4.14Å; I151-F161 HydrophobicContact CG1-CG 4.14Å; I151-F161 HydrophobicContact CG1-CZ 4.04Å; I151-F161 HydrophobicContact CG2-CE1 4.29Å; I151-F161 HydrophobicContact CG2-CE2 3.86Å; I151-F161 HydrophobicContact CG2-CZ 3.65Å; T155-F161 HydrophobicContact CG2-CE2 3.74Å; T155-F161 HydrophobicContact CG2-CZ 3.8Å; F161-I163 PolarHBondContact O-N 2.79Å; F161-Q203 CarbonylContact O-C 3.59Å; F161-Q203 WeakPolarHBondContact O-CA 3.18Å; F161-L204 HydrophobicContact CB-CB 4.43Å; F161-L204 PolarHBondContact N-O 3.4Å; F161-L204 PolarHBondContact O-N 2.81Å; F161-V206 HydrophobicContact CD2-CG2 4.38Å; F161-V206 HydrophobicContact CE2-CG2 3.96Å
162P91.5Very high88.6Confident100 Ų10058.6 Ų58.665%0.64934%0.343SS*.EExtended strand (participates in β ladder)trans-66127.3-179.627.3-33.4000110.2
163I91.9Very high88.2Confident6 Ų663.3 Ų63.33%0.03136%0.359CS..PPolyproline II helixtrans-89.4136.5167.6-56.5176.1000106.2I147 I149 F161 S165 L190 P202 L204 I222 L238I147-I163 HydrophobicContact CD1-CG2 3.86Å; I147-I163 HydrophobicContact CG2-CG2 4.44Å; I149-I163 HydrophobicContact CD1-CG1 4.07Å; F161-I163 PolarHBondContact O-N 2.79Å; I163-S165 PolarHBondContact O-N 3.14Å; I163-S165 VanDerWaalsContact O-N 3.08Å; I163-L190 HydrophobicContact CD1-CD1 3.86Å; I163-P202 HydrophobicContact CB-CB 4.21Å; I163-P202 HydrophobicContact CB-CG 4.03Å; I163-P202 WeakPolarHBondContact CB-O 2.96Å; I163-P202 HydrophobicContact CD1-CB 4.45Å; I163-P202 HydrophobicContact CG2-CG 4.32Å; I163-P202 PolarHBondContact N-O 2.78Å; I163-L204 HydrophobicContact CD1-CB 4.07Å; I163-L204 HydrophobicContact CD1-CD1 4.44Å; I163-L204 HydrophobicContact CG1-CB 4.14Å; I163-I222 HydrophobicContact CD1-CD1 3.93Å; I163-I222 HydrophobicContact CG2-CD1 4.11Å; I163-L238 HydrophobicContact CD1-CD2 3.99Å
164P91.1Very high87.9Confident61 Ų6164.3 Ų64.340%0.39637%0.365SS..PPolyproline II helixtrans-54.4118.5172.2-2634.9000110.8F142 P143 I147F142-P164 WeakPolarHBondContact CD1-O 3.42Å; P143-P164 HydrophobicContact CG-CB 3.82Å; I147-P164 HydrophobicContact CG2-CG 4.33Å
165S90Very high87.8Confident39 Ų3959.7 Ų59.727%0.27334%0.342SS..PPolyproline II helixtrans-55.1145174.9-53.90000110.5P143 I163P143-S165 WeakPolarHBondContact CD-O 3.36Å; I163-S165 PolarHBondContact O-N 3.14Å; I163-S165 VanDerWaalsContact O-N 3.08Å
166A91.3Very high87.7Confident8 Ų860.1 Ų60.17%0.06634%0.344CS..PPolyproline II helixtrans-72.2149.9163.300000109.6M141 F142 V176 Y179 V224M141-A166 CarbonylContact O-C 3.59Å; M141-A166 VanDerWaalsContact O-CA 3.26Å; M141-A166 WeakPolarHBondContact O-CA 3.39Å; F142-A166 HydrophobicContact CD1-CB 4Å; F142-A166 HydrophobicContact CE1-CB 4.04Å; F142-A166 HydrophobicContact CG-CB 4.3Å; F142-A166 HydrophobicContact CZ-CB 4.36Å; A166-V176 HydrophobicContact CB-CG2 4.44Å; A166-Y179 HydrophobicContact CB-CE1 4.06Å; A166-Y179 PolarHBondContact N-OH 3.24Å; A166-V224 HydrophobicContact CB-CB 4.16Å; A166-V224 HydrophobicContact CB-CG1 3.76Å; A166-V224 HydrophobicContact CB-CG2 3.94Å
167T88Confident87.6Confident97 Ų9755.9 Ų55.960%0.59532%0.321SS*.BIsolated β-bridgetrans-110.1136.3172.653.50000109.4M141M141-T167 PolarHBondContact N-O 2.81Å; M141-T167 PolarHBondContact O-N 2.89Å
168D89.3Confident87.7Confident28 Ų2856.8 Ų56.815%0.1532%0.323CS..  trans-127.2128.9169.1-151.7-28.3000108.2N138 A139 P140 D170 V176N138-D168 WeakPolarHBondContact CB-OD1 3.34Å; A139-D168 VanDerWaalsContact C-OD2 3.29Å; P140-D168 VanDerWaalsContact CA-OD2 3.32Å; P140-D168 WeakPolarHBondContact CA-OD2 3.37Å; P140-D168 HydrophobicContact CB-CB 4.17Å; P140-D168 WeakPolarHBondContact CB-OD2 3.38Å; P140-D168 WeakPolarHBondContact CD-OD2 2.81Å; D168-D170 VanDerWaalsContact C-N 3.28Å; D168-D170 PolarHBondContact OD1-N 3.42Å; D168-V176 HydrophobicContact CB-CG2 3.91Å
169P83.5Confident87.9Confident60 Ų6051.4 Ų51.439%0.3929%0.294SS..SBendtrans-64.4-30.3171.3-23.934.9000113.7E95 N138E95-P169 HydrophobicContact CB-CB 4.43Å; E95-P169 HydrophobicContact CG-CB 3.7Å; N138-P169 HydrophobicContact CB-CB 4.29Å; N138-P169 HydrophobicContact CB-CG 4Å
170D86.3Confident87.9Confident4 Ų453.7 Ų53.72%0.02130%0.302CS..SBendtrans-66.6143.3-177.4-66.43000110.6N136 D137 N138 D168 N174 G175N136-D170 VanDerWaalsContact C-OD2 3.29Å; N136-D170 WeakPolarHBondContact CA-OD2 3.35Å; D137-D170 PolarHBondContact N-OD2 2.74Å; N138-D170 VanDerWaalsContact CB-OD1 3.23Å; N138-D170 WeakPolarHBondContact CB-OD1 3.48Å; N138-D170 PolarHBondContact N-OD1 3.19Å; N138-D170 PolarHBondContact N-OD2 3.28Å; N138-D170 VanDerWaalsContact N-OD2 3.07Å; N138-D170 PolarHBondContact ND2-OD1 3.3Å; D168-D170 VanDerWaalsContact C-N 3.28Å; D168-D170 PolarHBondContact OD1-N 3.42Å; D170-N174 HydrophobicContact CB-CB 3.83Å; D170-N174 WeakPolarHBondContact CB-O 3.41Å; D170-G175 WeakPolarHBondContact O-CA 3.37Å; D170-G175 PolarHBondContact O-N 2.85Å
171T78Confident87.9Confident60 Ų6049.3 Ų49.337%0.36829%0.287SS..  trans-111.6157.5-165.8710000115R94 D134 F173 N174R94-T171 VanDerWaalsContact CZ-OG1 3.28Å; R94-T171 VanDerWaalsContact NH1-CG2 3.33Å; R94-T171 PolarHBondContact NH1-OG1 2.9Å; R94-T171 PolarHBondContact NH2-OG1 3.23Å; D134-T171 WeakPolarHBondContact OD1-CA 3.14Å; D134-T171 WeakPolarHBondContact OD1-CB 3.44Å; D134-T171 PolarHBondContact OD1-N 3.47Å; D134-T171 PolarHBondContact OD1-OG1 2.87Å; T171-F173 PolarHBondContact O-N 3.12Å; T171-N174 PolarHBondContact O-N 2.8Å
172G77.9Confident87.7Confident65 Ų6549.8 Ų49.867%0.6729%0.291SS*.G310 helixtrans63.5-120-18000000111.2N174 Q177G172-N174 VanDerWaalsContact C-N 3.34Å; G172-Q177 PolarHBondContact O-NE2 2.92Å
173F82.8Confident87.3Confident144 Ų14451.2 Ų51.263%0.63229%0.293SS*.G310 helixtrans-73.7-25.4-178.4-164.1-117.3000113.2T171 G175 Q177 G227T171-F173 PolarHBondContact O-N 3.12Å; F173-G175 VanDerWaalsContact C-N 3.31Å; F173-Q177 HydrophobicContact CD2-CG 4.25Å; F173-Q177 HydrophobicContact CE2-CG 4.3Å; F173-Q177 WeakPolarHBondContact O-CG 3.15Å; F173-Q177 PolarHBondContact O-NE2 3.03Å; F173-G227 VanDerWaalsContact CD1-O 3.25Å; F173-G227 WeakPolarHBondContact CD1-O 3.22Å; F173-G227 WeakPolarHBondContact CE1-O 3.49Å; F173-G227 WeakPolarHBondContact O-CA 3.35Å; F173-G227 PolarHBondContact O-N 2.77Å; F173-G227 VanDerWaalsContact O-N 3.11Å
174N84.5Confident86.7Confident31 Ų3152.9 Ų52.917%0.16631%0.312CS..G310 helixtrans-79.5-13.7179.2-67.3-4.6000112.8D134 N136 D170 T171 G172 D226D134-N174 WeakPolarHBondContact OD2-CB 3.42Å; D134-N174 PolarHBondContact OD2-ND2 2.88Å; N136-N174 HydrophobicContact CB-CB 4.06Å; N136-N174 PolarHBondContact N-ND2 3.49Å; N136-N174 VanDerWaalsContact N-ND2 3.16Å; N136-N174 VanDerWaalsContact OD1-CA 3.26Å; N136-N174 WeakPolarHBondContact OD1-CA 3.27Å; N136-N174 WeakPolarHBondContact OD1-CB 3.37Å; N136-N174 PolarHBondContact OD1-O 2.99Å; D170-N174 HydrophobicContact CB-CB 3.83Å; D170-N174 WeakPolarHBondContact CB-O 3.41Å; T171-N174 PolarHBondContact O-N 2.8Å; G172-N174 VanDerWaalsContact C-N 3.34Å; N174-D226 WeakPolarHBondContact O-CB 3.19Å
175G85.3Confident86.4Confident6 Ų652.9 Ų52.96%0.06231%0.307CS..SBendtrans-78-175.7170.400000113.3D170 F173 Q177D170-G175 WeakPolarHBondContact O-CA 3.37Å; D170-G175 PolarHBondContact O-N 2.85Å; F173-G175 VanDerWaalsContact C-N 3.31Å; G175-Q177 WeakPolarHBondContact O-CG 3.44Å; G175-Q177 PolarHBondContact O-N 2.86Å; G175-Q177 VanDerWaalsContact O-N 3.14Å; G175-Q177 PolarHBondContact O-NE2 3.18Å
176V88.3Confident86.2Confident28 Ų2855 Ų5517%0.1732%0.321CS..EExtended strand (participates in β ladder)trans-46.8115.2179.2178.90000112.7P140 A166 D168 Y179 V224P140-V176 HydrophobicContact CB-CG2 3.9Å; A166-V176 HydrophobicContact CB-CG2 4.44Å; D168-V176 HydrophobicContact CB-CG2 3.91Å; V176-Y179 HydrophobicContact CG1-CD2 4.41Å; V176-Y179 HydrophobicContact CG1-CE1 4.49Å; V176-Y179 HydrophobicContact CG1-CE2 3.6Å; V176-V224 HydrophobicContact CG1-CG2 3.7Å; V176-V224 HydrophobicContact CG2-CG2 4.45Å
177Q87.7Confident86.2Confident50 Ų5055.3 Ų55.323%0.23432%0.322CS..EExtended strand (participates in β ladder)trans-111.4-39.7178.1-69.2-47.2-41.300115.2G172 F173 G175 K200 E225G172-Q177 PolarHBondContact O-NE2 2.92Å; F173-Q177 HydrophobicContact CD2-CG 4.25Å; F173-Q177 HydrophobicContact CE2-CG 4.3Å; F173-Q177 WeakPolarHBondContact O-CG 3.15Å; F173-Q177 PolarHBondContact O-NE2 3.03Å; G175-Q177 WeakPolarHBondContact O-CG 3.44Å; G175-Q177 PolarHBondContact O-N 2.86Å; G175-Q177 VanDerWaalsContact O-N 3.14Å; G175-Q177 PolarHBondContact O-NE2 3.18Å; Q177-K200 WeakPolarHBondContact O-CD 3.42Å; Q177-K200 PolarHBondContact O-NZ 2.89Å; Q177-E225 PolarHBondContact N-O 3.08Å
178H89.8Confident86.4Confident93 Ų9351 Ų5143%0.43130%0.295SS..EExtended strand (participates in β ladder)trans-136.3141.4-171.4-170.751.4000112.5V224 E225H178-V224 CarbonylContact O-C 3.57Å; H178-V224 VanDerWaalsContact O-CA 3.3Å; H178-V224 WeakPolarHBondContact O-CA 3.5Å; H178-E225 HydrophobicContact CB-CB 4.44Å; H178-E225 IonicContact CD2-OE2 2.78Å; H178-E225 PolarHBondContact N-O 2.91Å; H178-E225 PolarHBondContact O-N 2.8Å
179Y93.5Very high86.5Confident6 Ų650 Ų502%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-121.3134.6169.2-67.6-84.7000109.7F142 A166 V176 I192 K200 P202 I222 K223 V224F142-Y179 HydrophobicContact CE1-CD1 4.31Å; F142-Y179 AromaticContact CE1-CE1 3.83Å; F142-Y179 HydrophobicContact CE1-CE1 3.83Å; F142-Y179 AromaticContact CZ-CD1 3.99Å; F142-Y179 HydrophobicContact CZ-CD1 3.99Å; F142-Y179 AromaticContact CZ-CE1 3.86Å; F142-Y179 HydrophobicContact CZ-CE1 3.86Å; A166-Y179 HydrophobicContact CB-CE1 4.06Å; A166-Y179 PolarHBondContact N-OH 3.24Å; V176-Y179 HydrophobicContact CG1-CD2 4.41Å; V176-Y179 HydrophobicContact CG1-CE1 4.49Å; V176-Y179 HydrophobicContact CG1-CE2 3.6Å; Y179-I192 HydrophobicContact CD2-CG1 4.35Å; Y179-K200 HydrophobicContact CE2-CB 4Å; Y179-K200 VanDerWaalsContact CE2-O 3.3Å; Y179-K200 WeakPolarHBondContact CE2-O 3.47Å; Y179-K200 PolarHBondContact OH-O 3.33Å; Y179-P202 HydrophobicContact CD1-CB 4.3Å; Y179-P202 HydrophobicContact CD1-CG 4.12Å; Y179-P202 HydrophobicContact CD2-CB 4.32Å; Y179-P202 HydrophobicContact CD2-CG 4.4Å; Y179-P202 HydrophobicContact CE1-CB 4.48Å; Y179-P202 HydrophobicContact CE1-CG 3.82Å; Y179-P202 HydrophobicContact CE2-CG 4.13Å; Y179-P202 HydrophobicContact CG-CB 4.19Å; Y179-P202 HydrophobicContact CG-CG 4.38Å; Y179-I222 HydrophobicContact CD1-CD1 4Å; Y179-I222 HydrophobicContact CD1-CG1 4.42Å; Y179-K223 WeakPolarHBondContact CA-O 3.1Å; Y179-V224 HydrophobicContact CD1-CB 3.73Å; Y179-V224 HydrophobicContact CD1-CG2 3.74Å; Y179-V224 HydrophobicContact CE1-CB 3.77Å; Y179-V224 HydrophobicContact CE1-CG2 3.52Å; Y179-V224 HydrophobicContact CG-CG2 4.4Å
180E91.5Very high86.9Confident78 Ų7849.1 Ų49.136%0.36428%0.284SS..EExtended strand (participates in β ladder)trans-131.3138.5-178.9-175.5-171.4-163.900110.5L182 I222 K223E180-L182 HydrophobicContact CG-CD2 4.28Å; E180-L182 PolarHBondContact O-N 2.65Å; E180-L182 WeakPolarHBondContact OE2-CD2 3.27Å; E180-I222 WeakPolarHBondContact O-CA 3.44Å; E180-K223 HydrophobicContact CB-CB 4.31Å; E180-K223 HydrophobicContact CB-CD 4.47Å; E180-K223 PolarHBondContact N-O 2.85Å; E180-K223 PolarHBondContact O-N 2.83Å; E180-K223 WeakPolarHBondContact OE2-CD 3.3Å; E180-K223 IonicContact OE2-NZ 3.79Å
181L91.2Very high87.1Confident29 Ų2951.5 Ų51.515%0.15230%0.297CS..EExtended strand (participates in β ladder)trans-96.286.7176.3-170.165000111.2G184 L190 L204 M220 K221 L238L181-G184 PolarHBondContact O-N 2.77Å; L181-L190 HydrophobicContact CB-CB 4.18Å; L181-L190 HydrophobicContact CB-CD2 4.28Å; L181-L204 HydrophobicContact CD2-CD1 4.35Å; L181-M220 HydrophobicContact CD1-CB 3.97Å; L181-M220 HydrophobicContact CD1-SD 4.32Å; L181-M220 HydrophobicContact CD2-SD 3.9Å; L181-M220 HydrophobicContact CG-SD 4.34Å; L181-K221 CarbonylContact C-O 3.57Å; L181-L238 HydrophobicContact CD1-CD2 3.98Å
182L87.8Confident87.7Confident53 Ų5351.6 Ų51.628%0.27729%0.294SS..EExtended strand (participates in β ladder)trans-63.6133.9175.5-61.7177.9000111.3E180 G184 K221 K223 T235E180-L182 HydrophobicContact CG-CD2 4.28Å; E180-L182 PolarHBondContact O-N 2.65Å; E180-L182 WeakPolarHBondContact OE2-CD2 3.27Å; L182-G184 PolarHBondContact O-N 3.37Å; L182-K221 WeakPolarHBondContact CA-O 3.21Å; L182-K221 HydrophobicContact CB-CB 4.11Å; L182-K221 WeakPolarHBondContact CB-O 3.26Å; L182-K221 PolarHBondContact N-O 2.98Å; L182-K221 PolarHBondContact O-N 2.96Å; L182-K223 HydrophobicContact CD1-CB 3.87Å; L182-K223 HydrophobicContact CD1-CD 4.21Å; L182-K223 HydrophobicContact CD1-CG 4.34Å; L182-K223 HydrophobicContact CG-CB 4.01Å; L182-K223 HydrophobicContact CG-CD 4.48Å; L182-T235 HydrophobicContact CD1-CG2 4.13Å
183N84.2Confident88.2Confident129 Ų12951 Ų5169%0.6928%0.277SS*.THydrogen-bonded Turntrans56.229.8-172.9-57.1-18.4000113.8Q185N183-Q185 PolarHBondContact O-N 2.77Å; N183-Q185 PolarHBondContact O-NE2 2.88Å
184G78.4Confident88.4Confident41 Ų4150 Ų5042%0.42328%0.275SS..  trans-48.4136.1177.500000113.3L181 L182L181-G184 PolarHBondContact O-N 2.77Å; L182-G184 PolarHBondContact O-N 3.37Å
185Q85.2Confident88.1Confident62 Ų6249.5 Ų49.529%0.2927%0.273SS..  trans-91.8140.5178.3-58.1-76-79.400108.4N183 V187 F188 Y218 M220N183-Q185 PolarHBondContact O-N 2.77Å; N183-Q185 PolarHBondContact O-NE2 2.88Å; Q185-V187 PolarHBondContact O-N 3.18Å; Q185-F188 HydrophobicContact CB-CD2 4.43Å; Q185-F188 PolarHBondContact O-N 2.89Å; Q185-F188 VanDerWaalsContact O-O 3.06Å; Q185-Y218 HydrophobicContact CB-CD1 4.14Å; Q185-Y218 HydrophobicContact CG-CD1 3.96Å; Q185-M220 HydrophobicContact CB-SD 3.98Å; Q185-M220 HydrophobicContact CG-CG 3.77Å; Q185-M220 HydrophobicContact CG-SD 3.73Å
186S85.9Confident87.7Confident82 Ų8255.3 Ų55.357%0.57331%0.309SS*.THydrogen-bonded Turntrans-61.5-7.7-177.559.70000115.5Q208S186-Q208 PolarHBondContact O-NE2 3.09Å; S186-Q208 PolarHBondContact OG-NE2 2.93Å
187V90.3Very high87.1Confident15 Ų1561.2 Ų61.29%0.09134%0.335CS..THydrogen-bonded Turntrans-82.9-22.4175.3-176.50000111.7Q185 Q207 Q208 L210 Y218Q185-V187 PolarHBondContact O-N 3.18Å; V187-Q207 PolarHBondContact O-N 3.19Å; V187-Q208 HydrophobicContact CG1-CB 4.42Å; V187-L210 HydrophobicContact CG1-CD2 3.52Å; V187-L210 HydrophobicContact CG1-CG 4.39Å; V187-Y218 HydrophobicContact CB-CE1 4.23Å; V187-Y218 HydrophobicContact CG2-CE1 3.94Å
188F92.5Very high86.6Confident6 Ų660.9 Ų60.93%0.02635%0.345CS..EExtended strand (participates in β ladder)trans-128.4123.8-175.6-60.4-72.4000112.5I151 Q185 L204 I205 V206 L210 Y218 M220 V240I151-F188 HydrophobicContact CD1-CE1 3.86Å; Q185-F188 HydrophobicContact CB-CD2 4.43Å; Q185-F188 PolarHBondContact O-N 2.89Å; Q185-F188 VanDerWaalsContact O-O 3.06Å; F188-L204 HydrophobicContact CB-CD1 3.86Å; F188-L204 HydrophobicContact CB-CG 4.23Å; F188-L204 HydrophobicContact CD1-CD2 3.79Å; F188-L204 HydrophobicContact CD1-CG 3.98Å; F188-L204 HydrophobicContact CE1-CD2 4.21Å; F188-L204 HydrophobicContact CG-CD1 4.39Å; F188-L204 HydrophobicContact CG-CD2 4.22Å; F188-L204 HydrophobicContact CG-CG 4.35Å; F188-I205 CarbonylContact C-O 3.56Å; F188-I205 WeakPolarHBondContact CA-O 3.36Å; F188-V206 HydrophobicContact CD1-CG2 4.33Å; F188-V206 HydrophobicContact CE1-CG2 4.06Å; F188-L210 HydrophobicContact CE1-CD1 4.44Å; F188-L210 HydrophobicContact CE1-CD2 4.31Å; F188-L210 HydrophobicContact CE2-CD2 4.42Å; F188-L210 HydrophobicContact CZ-CD1 4.42Å; F188-L210 HydrophobicContact CZ-CD2 3.71Å; F188-Y218 HydrophobicContact CD2-CD1 4.42Å; F188-Y218 HydrophobicContact CD2-CG 4.44Å; F188-Y218 AromaticContact CE2-CD1 3.9Å; F188-Y218 HydrophobicContact CE2-CD1 3.9Å; F188-Y218 AromaticContact CE2-CD2 3.84Å; F188-Y218 HydrophobicContact CE2-CD2 3.84Å; F188-Y218 HydrophobicContact CE2-CE1 4.31Å; F188-Y218 HydrophobicContact CE2-CE2 4.28Å; F188-Y218 AromaticContact CE2-CG 3.64Å; F188-Y218 HydrophobicContact CE2-CG 3.64Å; F188-Y218 HydrophobicContact CZ-CD2 4.36Å; F188-M220 HydrophobicContact CB-CE 4.08Å; F188-M220 HydrophobicContact CB-SD 4.26Å; F188-M220 HydrophobicContact CD2-CE 3.61Å; F188-M220 HydrophobicContact CD2-SD 4.2Å; F188-M220 HydrophobicContact CE2-CE 4.32Å; F188-M220 HydrophobicContact CG-CE 4.01Å; F188-V240 HydrophobicContact CE1-CG1 4.16Å; F188-V240 HydrophobicContact CE2-CB 4.45Å; F188-V240 HydrophobicContact CE2-CG1 4.28Å; F188-V240 HydrophobicContact CZ-CB 4.34Å; F188-V240 HydrophobicContact CZ-CG1 3.69Å
189G90.8Very high86.2Confident8 Ų862 Ų628%0.08235%0.35CS..EExtended strand (participates in β ladder)trans-94.3161.7166.600000111.8I205G189-I205 PolarHBondContact N-O 2.76Å; G189-I205 PolarHBondContact O-N 2.91Å
190L92.1Very high85.8Confident42 Ų4263.5 Ų63.522%0.2236%0.357CS..EExtended strand (participates in β ladder)trans-109.4128166-179.665.9000108.1I163 L181 I192 P202 I222I163-L190 HydrophobicContact CD1-CD1 3.86Å; L181-L190 HydrophobicContact CB-CB 4.18Å; L181-L190 HydrophobicContact CB-CD2 4.28Å; L190-I192 HydrophobicContact CD2-CD1 4.41Å; L190-I192 HydrophobicContact CG-CD1 4.2Å; L190-P202 HydrophobicContact CD1-CB 3.92Å; L190-I222 HydrophobicContact CD1-CD1 4.25Å; L190-I222 HydrophobicContact CD2-CD1 4.49Å
191D91.3Very high85.6Confident53 Ų5365.4 Ų65.428%0.28336%0.361SS..EExtended strand (participates in β ladder)trans-116.2152.3168.1-169.219.6000109.1R160 Q203 I205R160-D191 IonicContact CZ-OD2 2.66Å; R160-D191 IonicContact NH1-OD2 2.67Å; R160-D191 PolarHBondContact NH1-OD2 2.56Å; R160-D191 IonicContact NH2-OD2 3.96Å; R160-D191 PolarHBondContact NH2-OD2 3.28Å; D191-Q203 PolarHBondContact N-O 3.45Å; D191-Q203 PolarHBondContact O-N 3.1Å; D191-I205 HydrophobicContact CB-CD1 3.43Å; D191-I205 VanDerWaalsContact CB-CD1 3.43Å; D191-I205 HydrophobicContact CB-CG1 3.91Å
192I90.7Very high85.7Confident63 Ų6364 Ų6432%0.32335%0.354SS..EExtended strand (participates in β ladder)trans-123.8110.8-179.5-59.687.2000107.6Y179 L190 K200Y179-I192 HydrophobicContact CD2-CG1 4.35Å; L190-I192 HydrophobicContact CD2-CD1 4.41Å; L190-I192 HydrophobicContact CG-CD1 4.2Å; I192-K200 HydrophobicContact CG2-CB 3.76Å; I192-K200 HydrophobicContact CG2-CG 4.14Å
193V88.3Confident86Confident51 Ų5163.2 Ų63.231%0.30935%0.349SS..EExtended strand (participates in β ladder)trans-86115.5173.6179.70000107.9W201 Q203V193-W201 PolarHBondContact N-O 3.14Å; V193-W201 PolarHBondContact O-N 2.87Å; V193-Q203 HydrophobicContact CG2-CG 4.28Å
194E86.1Confident86.4Confident125 Ų12557 Ų5758%0.58432%0.316SS*.EExtended strand (participates in β ladder)trans-90.6126.4173.8-163.7162-131.900109E199 K200E194-E199 WeakPolarHBondContact CA-O 3.33Å; E194-K200 HydrophobicContact CG-CG 4.26Å; E194-K200 WeakPolarHBondContact OE1-CE 3.17Å; E194-K200 IonicContact OE1-NZ 3.58Å
195T79.7Confident87.1Confident19 Ų1955.9 Ų55.912%0.11730%0.3CS..  trans-79.2160.9179.857.30000111.4E197 G198 E199 W201T195-E197 WeakPolarHBondContact CB-OE2 3.35Å; T195-E197 PolarHBondContact O-N 2.71Å; T195-E197 VanDerWaalsContact O-N 3.13Å; T195-G198 PolarHBondContact O-N 3.04Å; T195-G198 PolarHBondContact OG1-N 2.84Å; T195-E199 HydrophobicContact CG2-CB 4.24Å; T195-E199 PolarHBondContact N-O 3.39Å; T195-E199 WeakPolarHBondContact OG1-CA 3.4Å; T195-E199 VanDerWaalsContact OG1-CB 3.31Å; T195-E199 WeakPolarHBondContact OG1-CB 3.35Å; T195-E199 PolarHBondContact OG1-N 2.96Å; T195-E199 PolarHBondContact OG1-O 2.88Å; T195-E199 VanDerWaalsContact OG1-O 3.05Å; T195-W201 HydrophobicContact CG2-CD2 3.93Å; T195-W201 HydrophobicContact CG2-CE3 4.29Å; T195-W201 HydrophobicContact CG2-CG 4.46Å; T195-W201 HydrophobicContact CG2-CH2 4.16Å; T195-W201 HydrophobicContact CG2-CZ2 3.79Å; T195-W201 HydrophobicContact CG2-CZ3 4.4Å
196P77.4Confident87.4Confident128 Ų12852.9 Ų52.983%0.83129%0.286SS*.THydrogen-bonded Turntrans-53.7-27.8170.8-25.734.3000114.1G198P196-G198 VanDerWaalsContact C-N 3.34Å
197E74.6Confident87.7Confident152 Ų15254 Ų5471%0.7128%0.282SS*.THydrogen-bonded Turntrans-81.6-10.2178.5-62.369-15100113.2T195T195-E197 WeakPolarHBondContact CB-OE2 3.35Å; T195-E197 PolarHBondContact O-N 2.71Å; T195-E197 VanDerWaalsContact O-N 3.13Å
198G77.1Confident87.7Confident43 Ų4357.6 Ų57.644%0.44330%0.298SS..  trans90.21-179.600000115.3T195 P196T195-G198 PolarHBondContact O-N 3.04Å; T195-G198 PolarHBondContact OG1-N 2.84Å; P196-G198 VanDerWaalsContact C-N 3.34Å
199E81.6Confident87.5Confident117 Ų11763.3 Ų63.355%0.54733%0.329SS..  trans-66.5139.3170.2-56.2-172179.700111.1E194 T195 W201E194-E199 WeakPolarHBondContact CA-O 3.33Å; T195-E199 HydrophobicContact CG2-CB 4.24Å; T195-E199 PolarHBondContact N-O 3.39Å; T195-E199 WeakPolarHBondContact OG1-CA 3.4Å; T195-E199 VanDerWaalsContact OG1-CB 3.31Å; T195-E199 WeakPolarHBondContact OG1-CB 3.35Å; T195-E199 PolarHBondContact OG1-N 2.96Å; T195-E199 PolarHBondContact OG1-O 2.88Å; T195-E199 VanDerWaalsContact OG1-O 3.05Å; E199-W201 PolarHBondContact OE2-NE1 2.66Å
200K85.9Confident87.5Confident38 Ų3863.5 Ų63.517%0.16533%0.328CS..EExtended strand (participates in β ladder)trans-106.6111.9-179.2-71.3167.3-178.8174.70110.3Q177 Y179 I192 E194Q177-K200 WeakPolarHBondContact O-CD 3.42Å; Q177-K200 PolarHBondContact O-NZ 2.89Å; Y179-K200 HydrophobicContact CE2-CB 4Å; Y179-K200 VanDerWaalsContact CE2-O 3.3Å; Y179-K200 WeakPolarHBondContact CE2-O 3.47Å; Y179-K200 PolarHBondContact OH-O 3.33Å; I192-K200 HydrophobicContact CG2-CB 3.76Å; I192-K200 HydrophobicContact CG2-CG 4.14Å; E194-K200 HydrophobicContact CG-CG 4.26Å; E194-K200 WeakPolarHBondContact OE1-CE 3.17Å; E194-K200 IonicContact OE1-NZ 3.58Å
201W86.8Confident87.4Confident117 Ų11764.6 Ų64.644%0.44333%0.333SS..EExtended strand (participates in β ladder)trans-104.9110.2-177.5-65-1.2000110.8V193 T195 E199V193-W201 PolarHBondContact N-O 3.14Å; V193-W201 PolarHBondContact O-N 2.87Å; T195-W201 HydrophobicContact CG2-CD2 3.93Å; T195-W201 HydrophobicContact CG2-CE3 4.29Å; T195-W201 HydrophobicContact CG2-CG 4.46Å; T195-W201 HydrophobicContact CG2-CH2 4.16Å; T195-W201 HydrophobicContact CG2-CZ2 3.79Å; T195-W201 HydrophobicContact CG2-CZ3 4.4Å; E199-W201 PolarHBondContact OE2-NE1 2.66Å
202P93.2Very high87.3Confident1 Ų163.2 Ų63.21%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-72.7135.7179.327.3-30.9000111.9I163 Y179 L190 I222I163-P202 HydrophobicContact CB-CB 4.21Å; I163-P202 HydrophobicContact CB-CG 4.03Å; I163-P202 WeakPolarHBondContact CB-O 2.96Å; I163-P202 HydrophobicContact CD1-CB 4.45Å; I163-P202 HydrophobicContact CG2-CG 4.32Å; I163-P202 PolarHBondContact N-O 2.78Å; Y179-P202 HydrophobicContact CD1-CB 4.3Å; Y179-P202 HydrophobicContact CD1-CG 4.12Å; Y179-P202 HydrophobicContact CD2-CB 4.32Å; Y179-P202 HydrophobicContact CD2-CG 4.4Å; Y179-P202 HydrophobicContact CE1-CB 4.48Å; Y179-P202 HydrophobicContact CE1-CG 3.82Å; Y179-P202 HydrophobicContact CE2-CG 4.13Å; Y179-P202 HydrophobicContact CG-CB 4.19Å; Y179-P202 HydrophobicContact CG-CG 4.38Å; L190-P202 HydrophobicContact CD1-CB 3.92Å; P202-I222 HydrophobicContact CB-CD1 4.05Å; P202-I222 HydrophobicContact CG-CD1 4.36Å
203Q93.1Very high87.2Confident35 Ų3563.4 Ų63.416%0.16432%0.324CS..EExtended strand (participates in β ladder)trans-128.8128177.6-61.7-173.7-11.400110.3R160 F161 D191 V193R160-Q203 VanDerWaalsContact NH1-OE1 3.14Å; F161-Q203 CarbonylContact O-C 3.59Å; F161-Q203 WeakPolarHBondContact O-CA 3.18Å; D191-Q203 PolarHBondContact N-O 3.45Å; D191-Q203 PolarHBondContact O-N 3.1Å; V193-Q203 HydrophobicContact CG2-CG 4.28Å
204L93.6Very high87.1Confident0 Ų068.5 Ų68.50%034%0.344CS..EExtended strand (participates in β ladder)trans-78.2125.4172.1-163.870.2000108.9I149 I151 R160 F161 I163 L181 F188 M220 L238 V240I149-L204 HydrophobicContact CD1-CD2 4.5Å; I151-L204 HydrophobicContact CD1-CD2 4.16Å; R160-L204 WeakPolarHBondContact CA-O 3.41Å; F161-L204 HydrophobicContact CB-CB 4.43Å; F161-L204 PolarHBondContact N-O 3.4Å; F161-L204 PolarHBondContact O-N 2.81Å; I163-L204 HydrophobicContact CD1-CB 4.07Å; I163-L204 HydrophobicContact CD1-CD1 4.44Å; I163-L204 HydrophobicContact CG1-CB 4.14Å; L181-L204 HydrophobicContact CD2-CD1 4.35Å; F188-L204 HydrophobicContact CB-CD1 3.86Å; F188-L204 HydrophobicContact CB-CG 4.23Å; F188-L204 HydrophobicContact CD1-CD2 3.79Å; F188-L204 HydrophobicContact CD1-CG 3.98Å; F188-L204 HydrophobicContact CE1-CD2 4.21Å; F188-L204 HydrophobicContact CG-CD1 4.39Å; F188-L204 HydrophobicContact CG-CD2 4.22Å; F188-L204 HydrophobicContact CG-CG 4.35Å; L204-M220 HydrophobicContact CD1-CE 4.39Å; L204-L238 HydrophobicContact CD1-CD2 3.82Å; L204-L238 HydrophobicContact CD2-CD2 4.3Å; L204-V240 HydrophobicContact CD2-CG2 3.68Å
205I92.7Very high87.1Confident16 Ų1666.1 Ų66.18%0.08233%0.332CS..EExtended strand (participates in β ladder)trans-110.9129179.7-60-159.3000110.3S159 R160 F188 G189 D191 Q207S159-I205 WeakPolarHBondContact O-CA 3.31Å; R160-I205 HydrophobicContact CG-CD1 3.97Å; R160-I205 HydrophobicContact CG-CG1 4.08Å; F188-I205 CarbonylContact C-O 3.56Å; F188-I205 WeakPolarHBondContact CA-O 3.36Å; G189-I205 PolarHBondContact N-O 2.76Å; G189-I205 PolarHBondContact O-N 2.91Å; D191-I205 HydrophobicContact CB-CD1 3.43Å; D191-I205 VanDerWaalsContact CB-CD1 3.43Å; D191-I205 HydrophobicContact CB-CG1 3.91Å; I205-Q207 PolarHBondContact O-N 3.45Å
206V92.7Very high87.6Confident0 Ų069.2 Ų69.20%035%0.348CS..EExtended strand (participates in β ladder)trans-75.2114.2172.8-179.70000109.1I151 T155 I157 N158 S159 F161 F188 Q208 L210I151-V206 HydrophobicContact CD1-CG2 4.42Å; I151-V206 HydrophobicContact CG2-CG2 4.33Å; T155-V206 HydrophobicContact CG2-CB 4.35Å; T155-V206 HydrophobicContact CG2-CG2 3.82Å; I157-V206 WeakPolarHBondContact CA-O 3.3Å; I157-V206 WeakPolarHBondContact CG2-O 3.36Å; N158-V206 PolarHBondContact N-O 3.38Å; S159-V206 PolarHBondContact O-N 2.8Å; S159-V206 WeakPolarHBondContact OG-CB 3.42Å; S159-V206 WeakPolarHBondContact OG-CG2 3.25Å; F161-V206 HydrophobicContact CD2-CG2 4.38Å; F161-V206 HydrophobicContact CE2-CG2 3.96Å; F188-V206 HydrophobicContact CD1-CG2 4.33Å; F188-V206 HydrophobicContact CE1-CG2 4.06Å; V206-Q208 WeakPolarHBondContact CG1-O 3.15Å; V206-L210 HydrophobicContact CG1-CD1 4.36Å; V206-L210 HydrophobicContact CG1-CG 4.35Å; V206-L210 HydrophobicContact CG2-CD1 4.39Å
207Q91.1Very high88.2Confident104 Ų10466 Ų6649%0.48633%0.326SS..  trans-100.2-19-176-71.6-172.6-20.600114V187 I205V187-Q207 PolarHBondContact O-N 3.19Å; I205-Q207 PolarHBondContact O-N 3.45Å
208Q90.6Very high89Confident92 Ų9259.5 Ų59.543%0.4330%0.295SS..SBendtrans-135.8159.2175.9-55.3-173.425.200108.7S186 V187 V206S186-Q208 PolarHBondContact O-NE2 3.09Å; S186-Q208 PolarHBondContact OG-NE2 2.93Å; V187-Q208 HydrophobicContact CG1-CB 4.42Å; V206-Q208 WeakPolarHBondContact CG1-O 3.15Å
209N88.3Confident89.7Confident126 Ų12661.8 Ų61.867%0.67430%0.3SS*.  trans-54.2145.1172.1-72.144.7000110.8I157I157-N209 WeakPolarHBondContact CD1-OD1 3.46Å
210L90.7Very high90.2Very high12 Ų1256.4 Ų56.46%0.06328%0.275CS..  trans-94.5151.2167.2-67.2167.9000109I151 E153 V187 F188 V206 Y218 V242I151-L210 HydrophobicContact CB-CD1 4.21Å; I151-L210 HydrophobicContact CG2-CD1 3.45Å; I151-L210 VanDerWaalsContact CG2-CD1 3.45Å; E153-L210 HydrophobicContact CB-CB 4.07Å; V187-L210 HydrophobicContact CG1-CD2 3.52Å; V187-L210 HydrophobicContact CG1-CG 4.39Å; F188-L210 HydrophobicContact CE1-CD1 4.44Å; F188-L210 HydrophobicContact CE1-CD2 4.31Å; F188-L210 HydrophobicContact CE2-CD2 4.42Å; F188-L210 HydrophobicContact CZ-CD1 4.42Å; F188-L210 HydrophobicContact CZ-CD2 3.71Å; V206-L210 HydrophobicContact CG1-CD1 4.36Å; V206-L210 HydrophobicContact CG1-CG 4.35Å; V206-L210 HydrophobicContact CG2-CD1 4.39Å; L210-Y218 HydrophobicContact CD2-CE2 4.14Å; L210-V242 HydrophobicContact CB-CG1 4.27Å; L210-V242 HydrophobicContact CD2-CG2 4.01Å
211D89.1Confident90.5Very high64 Ų6458.9 Ų58.934%0.34229%0.286SS..  trans-155.4101.8-173.8166.6-15.1000104.5E213 Q214 K215D211-E213 PolarHBondContact OD1-N 3.29Å; D211-Q214 HydrophobicContact CB-CB 4.13Å; D211-Q214 PolarHBondContact O-N 2.93Å; D211-Q214 WeakPolarHBondContact OD1-CB 3.3Å; D211-Q214 PolarHBondContact OD1-N 2.96Å; D211-Q214 WeakPolarHBondContact OD2-CB 2.98Å; D211-Q214 PolarHBondContact OD2-NE2 3.39Å; D211-Q214 VanDerWaalsContact OD2-NE2 3.1Å; D211-K215 PolarHBondContact O-N 3.03Å
212R91.2Very high90.9Very high24 Ų2453.3 Ų53.39%0.09127%0.265CS..THydrogen-bonded Turntrans-75.6-31.4-171.7-169.2-161.76054.6-5.2111.2E153 Q214 K215 D216 V242 D244E153-R212 WeakPolarHBondContact OE2-CA 3.35Å; E153-R212 WeakPolarHBondContact OE2-CB 3.16Å; E153-R212 PolarHBondContact OE2-N 2.89Å; R212-Q214 PolarHBondContact O-N 3.34Å; R212-K215 CarbonylContact O-C 3.47Å; R212-K215 PolarHBondContact O-N 2.92Å; R212-D216 HydrophobicContact CG-CB 3.97Å; R212-D216 PolarHBondContact O-N 2.86Å; R212-V242 HydrophobicContact CB-CB 4.3Å; R212-V242 HydrophobicContact CB-CG1 3.84Å; R212-V242 HydrophobicContact CG-CB 4.16Å; R212-V242 HydrophobicContact CG-CG1 4.16Å; R212-D244 IonicContact CZ-OD1 3.89Å; R212-D244 IonicContact NE-OD1 2.66Å; R212-D244 PolarHBondContact NE-OD1 2.69Å; R212-D244 IonicContact NH2-OD1 2.88Å; R212-D244 PolarHBondContact NH2-OD1 2.99Å
213E87.4Confident90.9Very high68 Ų6855.1 Ų55.132%0.31827%0.273SS..THydrogen-bonded Turntrans-62.9-33.2175-69.959.3-11900110.9D211 A279D211-E213 PolarHBondContact OD1-N 3.29Å; E213-A279 HydrophobicContact CG-CB 4.05Å
214Q87.1Confident90.9Very high158 Ų15853.5 Ų53.574%0.73827%0.265SS*.THydrogen-bonded Turntrans-81.1-44.5172.2-172.6175.8132.200112.9D211 R212D211-Q214 HydrophobicContact CB-CB 4.13Å; D211-Q214 PolarHBondContact O-N 2.93Å; D211-Q214 WeakPolarHBondContact OD1-CB 3.3Å; D211-Q214 PolarHBondContact OD1-N 2.96Å; D211-Q214 WeakPolarHBondContact OD2-CB 2.98Å; D211-Q214 PolarHBondContact OD2-NE2 3.39Å; D211-Q214 VanDerWaalsContact OD2-NE2 3.1Å; R212-Q214 PolarHBondContact O-N 3.34Å
215K85.5Confident90.9Very high74 Ų7455.1 Ų55.132%0.32227%0.272SS..  trans-158.6105.9179.6-172.1170169.7-174.70113.9D211 R212 T217 Y218D211-K215 PolarHBondContact O-N 3.03Å; R212-K215 CarbonylContact O-C 3.47Å; R212-K215 PolarHBondContact O-N 2.92Å; K215-T217 WeakPolarHBondContact CE-O 3.29Å; K215-Y218 HydrophobicContact CB-CE2 4.35Å; K215-Y218 HydrophobicContact CD-CD1 4.12Å; K215-Y218 HydrophobicContact CD-CE1 3.62Å; K215-Y218 HydrophobicContact CD-CE2 4.21Å; K215-Y218 VanDerWaalsContact CE-CD1 3.49Å; K215-Y218 HydrophobicContact CG-CE1 4.29Å; K215-Y218 HydrophobicContact CG-CE2 3.96Å; K215-Y218 WeakPolarHBondContact O-CE2 3.15Å
216D89.1Confident90.9Very high84 Ų8454.3 Ų54.345%0.44927%0.268SS..  trans-72.3-25.4-179.968-9.7000115.7R212 V242R212-D216 HydrophobicContact CG-CB 3.97Å; R212-D216 PolarHBondContact O-N 2.86Å; D216-V242 PolarHBondContact O-N 2.91Å
217T91.1Very high90.5Very high60 Ų6054.5 Ų54.537%0.36827%0.27SS..EExtended strand (participates in β ladder)trans-141.6137.4-164.649.60000114.2K215 T241K215-T217 WeakPolarHBondContact CE-O 3.29Å; T217-T241 HydrophobicContact CG2-CG2 4.3Å
218Y91.8Very high90.2Very high17 Ų1749.7 Ų49.77%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-134.2122.3178.3-59.1-107.5000109.7Q185 V187 F188 L210 K215 V240 V242Q185-Y218 HydrophobicContact CB-CD1 4.14Å; Q185-Y218 HydrophobicContact CG-CD1 3.96Å; V187-Y218 HydrophobicContact CB-CE1 4.23Å; V187-Y218 HydrophobicContact CG2-CE1 3.94Å; F188-Y218 HydrophobicContact CD2-CD1 4.42Å; F188-Y218 HydrophobicContact CD2-CG 4.44Å; F188-Y218 AromaticContact CE2-CD1 3.9Å; F188-Y218 HydrophobicContact CE2-CD1 3.9Å; F188-Y218 AromaticContact CE2-CD2 3.84Å; F188-Y218 HydrophobicContact CE2-CD2 3.84Å; F188-Y218 HydrophobicContact CE2-CE1 4.31Å; F188-Y218 HydrophobicContact CE2-CE2 4.28Å; F188-Y218 AromaticContact CE2-CG 3.64Å; F188-Y218 HydrophobicContact CE2-CG 3.64Å; F188-Y218 HydrophobicContact CZ-CD2 4.36Å; L210-Y218 HydrophobicContact CD2-CE2 4.14Å; K215-Y218 HydrophobicContact CB-CE2 4.35Å; K215-Y218 HydrophobicContact CD-CD1 4.12Å; K215-Y218 HydrophobicContact CD-CE1 3.62Å; K215-Y218 HydrophobicContact CD-CE2 4.21Å; K215-Y218 VanDerWaalsContact CE-CD1 3.49Å; K215-Y218 HydrophobicContact CG-CE1 4.29Å; K215-Y218 HydrophobicContact CG-CE2 3.96Å; K215-Y218 WeakPolarHBondContact O-CE2 3.15Å; Y218-V240 PolarHBondContact N-O 3.5Å; Y218-V240 PolarHBondContact O-N 2.89Å; Y218-V242 HydrophobicContact CD2-CG2 4.19Å; Y218-V242 HydrophobicContact CE2-CG2 3.8Å
219V91.5Very high89.8Confident91 Ų9151.9 Ų51.955%0.55227%0.268SS*.EExtended strand (participates in β ladder)trans-113.1118.9178.4-177.10000109I237 Q239V219-I237 HydrophobicContact CG1-CG2 3.74Å; V219-Q239 HydrophobicContact CG2-CG 4.49Å
220M92.2Very high89.8Confident3 Ų351.2 Ų51.22%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-125.8177.4179.7-64173.6-72.300109.1L181 Q185 F188 L204 L238 V240L181-M220 HydrophobicContact CD1-CB 3.97Å; L181-M220 HydrophobicContact CD1-SD 4.32Å; L181-M220 HydrophobicContact CD2-SD 3.9Å; L181-M220 HydrophobicContact CG-SD 4.34Å; Q185-M220 HydrophobicContact CB-SD 3.98Å; Q185-M220 HydrophobicContact CG-CG 3.77Å; Q185-M220 HydrophobicContact CG-SD 3.73Å; F188-M220 HydrophobicContact CB-CE 4.08Å; F188-M220 HydrophobicContact CB-SD 4.26Å; F188-M220 HydrophobicContact CD2-CE 3.61Å; F188-M220 HydrophobicContact CD2-SD 4.2Å; F188-M220 HydrophobicContact CE2-CE 4.32Å; F188-M220 HydrophobicContact CG-CE 4.01Å; L204-M220 HydrophobicContact CD1-CE 4.39Å; M220-L238 HydrophobicContact CB-CB 4.39Å; M220-L238 HydrophobicContact CE-CD2 4.21Å; M220-L238 PolarHBondContact N-O 2.92Å; M220-L238 PolarHBondContact O-N 2.78Å; M220-V240 HydrophobicContact CE-CG2 3.71Å
221K92.6Very high89.7Confident91 Ų9156.1 Ų56.140%0.39629%0.293SS..EExtended strand (participates in β ladder)trans-127.4129.1167.8-69.3-173.6179-171.30109.7L181 L182 A236L181-K221 CarbonylContact C-O 3.57Å; L182-K221 WeakPolarHBondContact CA-O 3.21Å; L182-K221 HydrophobicContact CB-CB 4.11Å; L182-K221 WeakPolarHBondContact CB-O 3.26Å; L182-K221 PolarHBondContact N-O 2.98Å; L182-K221 PolarHBondContact O-N 2.96Å; K221-A236 CarbonylContact C-O 3.5Å; K221-A236 VanDerWaalsContact CA-O 3.32Å; K221-A236 WeakPolarHBondContact CA-O 3.31Å
222I93.8Very high89.8Confident0 Ų056 Ų560%029%0.29CS..EExtended strand (participates in β ladder)trans-92131166.7-171.8172.5000108.3F142 I147 I163 Y179 E180 L190 P202 T235 A236F142-I222 HydrophobicContact CE1-CD1 4.2Å; F142-I222 HydrophobicContact CE1-CG2 4Å; F142-I222 HydrophobicContact CE2-CG2 3.98Å; F142-I222 HydrophobicContact CZ-CB 4.28Å; F142-I222 HydrophobicContact CZ-CD1 4.01Å; F142-I222 HydrophobicContact CZ-CG1 3.86Å; F142-I222 HydrophobicContact CZ-CG2 3.62Å; I147-I222 HydrophobicContact CD1-CG2 4.25Å; I163-I222 HydrophobicContact CD1-CD1 3.93Å; I163-I222 HydrophobicContact CG2-CD1 4.11Å; Y179-I222 HydrophobicContact CD1-CD1 4Å; Y179-I222 HydrophobicContact CD1-CG1 4.42Å; E180-I222 WeakPolarHBondContact O-CA 3.44Å; L190-I222 HydrophobicContact CD1-CD1 4.25Å; L190-I222 HydrophobicContact CD2-CD1 4.49Å; P202-I222 HydrophobicContact CB-CD1 4.05Å; P202-I222 HydrophobicContact CG-CD1 4.36Å; I222-T235 CarbonylContact O-C 3.37Å; I222-T235 WeakPolarHBondContact O-CA 3.12Å; I222-A236 HydrophobicContact CG2-CB 4.04Å; I222-A236 PolarHBondContact N-O 3.05Å; I222-A236 PolarHBondContact O-N 2.54Å
223K93.5Very high89.8Confident39 Ų3957.9 Ų57.917%0.1731%0.307CS..EExtended strand (participates in β ladder)trans-105145.5172.4-174.3-163.2-176.6-157.90108.3Y179 E180 L182 E225 S234 T235Y179-K223 WeakPolarHBondContact CA-O 3.1Å; E180-K223 HydrophobicContact CB-CB 4.31Å; E180-K223 HydrophobicContact CB-CD 4.47Å; E180-K223 PolarHBondContact N-O 2.85Å; E180-K223 PolarHBondContact O-N 2.83Å; E180-K223 WeakPolarHBondContact OE2-CD 3.3Å; E180-K223 IonicContact OE2-NZ 3.79Å; L182-K223 HydrophobicContact CD1-CB 3.87Å; L182-K223 HydrophobicContact CD1-CD 4.21Å; L182-K223 HydrophobicContact CD1-CG 4.34Å; L182-K223 HydrophobicContact CG-CB 4.01Å; L182-K223 HydrophobicContact CG-CD 4.48Å; K223-E225 HydrophobicContact CD-CG 4.17Å; K223-E225 WeakPolarHBondContact CE-OE1 3.28Å; K223-E225 HydrophobicContact CG-CG 4.35Å; K223-E225 IonicContact NZ-OE1 2.64Å; K223-E225 PolarHBondContact NZ-OE1 2.98Å; K223-E225 IonicContact NZ-OE2 3.97Å; K223-E225 PolarHBondContact NZ-OE2 2.83Å; K223-S234 WeakPolarHBondContact CA-O 2.93Å; K223-T235 HydrophobicContact CB-CG2 3.97Å; K223-T235 HydrophobicContact CG-CG2 3.97Å
224V93.9Very high90Very high0 Ų056.1 Ų56.10%030%0.302CS..EExtended strand (participates in β ladder)trans-127.6142.3168.661.90000109.6P140 F142 A166 V176 H178 Y179 S233 S234P140-V224 HydrophobicContact CB-CB 4.48Å; P140-V224 HydrophobicContact CB-CG1 3.86Å; P140-V224 HydrophobicContact CB-CG2 3.86Å; P140-V224 HydrophobicContact CG-CG1 4Å; P140-V224 HydrophobicContact CG-CG2 4.19Å; P140-V224 WeakPolarHBondContact O-CG1 3.38Å; F142-V224 HydrophobicContact CD2-CG1 4.1Å; F142-V224 HydrophobicContact CE2-CB 3.92Å; F142-V224 HydrophobicContact CE2-CG1 3.5Å; F142-V224 HydrophobicContact CZ-CB 3.84Å; F142-V224 HydrophobicContact CZ-CG1 3.89Å; A166-V224 HydrophobicContact CB-CB 4.16Å; A166-V224 HydrophobicContact CB-CG1 3.76Å; A166-V224 HydrophobicContact CB-CG2 3.94Å; V176-V224 HydrophobicContact CG1-CG2 3.7Å; V176-V224 HydrophobicContact CG2-CG2 4.45Å; H178-V224 CarbonylContact O-C 3.57Å; H178-V224 VanDerWaalsContact O-CA 3.3Å; H178-V224 WeakPolarHBondContact O-CA 3.5Å; Y179-V224 HydrophobicContact CD1-CB 3.73Å; Y179-V224 HydrophobicContact CD1-CG2 3.74Å; Y179-V224 HydrophobicContact CE1-CB 3.77Å; Y179-V224 HydrophobicContact CE1-CG2 3.52Å; Y179-V224 HydrophobicContact CG-CG2 4.4Å; V224-S233 CarbonylContact O-C 3.5Å; V224-S233 WeakPolarHBondContact O-CA 3.34Å; V224-S233 WeakPolarHBondContact O-CB 3.33Å; V224-S234 WeakPolarHBondContact CG1-OG 3.3Å; V224-S234 PolarHBondContact N-O 2.91Å; V224-S234 PolarHBondContact O-N 2.93Å; V224-S234 VanDerWaalsContact O-N 3.11Å
225E92.7Very high90.3Very high34 Ų3452 Ų5216%0.15929%0.288CS..EExtended strand (participates in β ladder)trans-131.3145.3178.5-44.3-163.196.200111.4Q177 H178 K223 K232Q177-E225 PolarHBondContact N-O 3.08Å; H178-E225 HydrophobicContact CB-CB 4.44Å; H178-E225 IonicContact CD2-OE2 2.78Å; H178-E225 PolarHBondContact N-O 2.91Å; H178-E225 PolarHBondContact O-N 2.8Å; K223-E225 HydrophobicContact CD-CG 4.17Å; K223-E225 WeakPolarHBondContact CE-OE1 3.28Å; K223-E225 HydrophobicContact CG-CG 4.35Å; K223-E225 IonicContact NZ-OE1 2.64Å; K223-E225 PolarHBondContact NZ-OE1 2.98Å; K223-E225 IonicContact NZ-OE2 3.97Å; K223-E225 PolarHBondContact NZ-OE2 2.83Å; E225-K232 WeakPolarHBondContact CA-O 3.3Å
226D92.4Very high90.7Very high0 Ų048.6 Ų48.60%027%0.273CS..EExtended strand (participates in β ladder)trans-82.1177.5169.264.432.3000111.7N136 P140 N174 G228 Q231 K232N136-D226 PolarHBondContact ND2-OD2 2.65Å; P140-D226 HydrophobicContact CG-CB 4.33Å; N174-D226 WeakPolarHBondContact O-CB 3.19Å; D226-G228 WeakPolarHBondContact OD1-CA 3.39Å; D226-G228 PolarHBondContact OD1-N 3.03Å; D226-Q231 PolarHBondContact O-NE2 2.64Å; D226-Q231 WeakPolarHBondContact OD1-CA 3.27Å; D226-Q231 WeakPolarHBondContact OD1-CB 3.48Å; D226-K232 PolarHBondContact N-O 2.83Å; D226-K232 VanDerWaalsContact N-O 3.11Å; D226-K232 PolarHBondContact OD1-N 3.48Å; D226-K232 WeakPolarHBondContact OD2-CA 3.44Å; D226-K232 WeakPolarHBondContact OD2-CB 3.06Å; D226-K232 PolarHBondContact OD2-N 2.96Å
227G86Confident90.9Very high4 Ų447.7 Ų47.74%0.04127%0.267CS..SBendtrans-93.912.5169.500000113.8F173F173-G227 VanDerWaalsContact CD1-O 3.25Å; F173-G227 WeakPolarHBondContact CD1-O 3.22Å; F173-G227 WeakPolarHBondContact CE1-O 3.49Å; F173-G227 WeakPolarHBondContact O-CA 3.35Å; F173-G227 PolarHBondContact O-N 2.77Å; F173-G227 VanDerWaalsContact O-N 3.11Å
228G85.2Confident91Very high2 Ų244.8 Ų44.82%0.02125%0.25CC..  trans-60.8167.2-172.500000115.1N136 D226 P230 Q231N136-G228 VanDerWaalsContact CG-CA 3.41Å; N136-G228 WeakPolarHBondContact OD1-CA 3.28Å; N136-G228 PolarHBondContact OD1-N 3.49Å; D226-G228 WeakPolarHBondContact OD1-CA 3.39Å; D226-G228 PolarHBondContact OD1-N 3.03Å; G228-P230 CarbonylContact C-O 3.55Å; G228-P230 CarbonylContact O-C 3.58Å; G228-Q231 WeakPolarHBondContact O-CG 3.38Å; G228-Q231 PolarHBondContact O-N 3.47Å; G228-Q231 VanDerWaalsContact O-N 3.17Å
229T82Confident91.1Very high139 Ų13947.5 Ų47.585%0.85326%0.263SS*.SBendtrans-13397.117043.60000110.9
230P87.8Confident91.2Very high111 Ų11143.2 Ų43.272%0.72124%0.237SC*.SBendcis-69.9153.51.132.2-37000113G228G228-P230 CarbonylContact C-O 3.55Å; G228-P230 CarbonylContact O-C 3.58Å
231Q87.9Confident91.1Very high116 Ų11645.3 Ų45.354%0.54225%0.25SS..  trans-70.3145.5173.1-64.5178.5-71.600111D226 G228D226-Q231 PolarHBondContact O-NE2 2.64Å; D226-Q231 WeakPolarHBondContact OD1-CA 3.27Å; D226-Q231 WeakPolarHBondContact OD1-CB 3.48Å; G228-Q231 WeakPolarHBondContact O-CG 3.38Å; G228-Q231 PolarHBondContact O-N 3.47Å; G228-Q231 VanDerWaalsContact O-N 3.17Å
232K90.7Very high91.1Very high61 Ų6141.4 Ų41.427%0.26523%0.234SC..  trans-112.6157.4167.7-44.1-169.3-159.3117.50110.1N136 D137 N138 A139 E225 D226N136-K232 PolarHBondContact ND2-NZ 3.12Å; N136-K232 PolarHBondContact O-NZ 2.86Å; D137-K232 VanDerWaalsContact CA-NZ 3.27Å; D137-K232 PolarHBondContact O-NZ 3.39Å; N138-K232 WeakPolarHBondContact O-CD 3.08Å; N138-K232 PolarHBondContact O-NZ 3.23Å; A139-K232 HydrophobicContact CB-CB 3.88Å; A139-K232 HydrophobicContact CB-CD 4.05Å; E225-K232 WeakPolarHBondContact CA-O 3.3Å; D226-K232 PolarHBondContact N-O 2.83Å; D226-K232 VanDerWaalsContact N-O 3.11Å; D226-K232 PolarHBondContact OD1-N 3.48Å; D226-K232 WeakPolarHBondContact OD2-CA 3.44Å; D226-K232 WeakPolarHBondContact OD2-CB 3.06Å; D226-K232 PolarHBondContact OD2-N 2.96Å
233S91.7Very high90.8Very high64 Ų6443.2 Ų43.245%0.44825%0.247SC..EExtended strand (participates in β ladder)trans-150.2152.1-177.657.70000112V224V224-S233 CarbonylContact O-C 3.5Å; V224-S233 WeakPolarHBondContact O-CA 3.34Å; V224-S233 WeakPolarHBondContact O-CB 3.33Å
234S92.7Very high90.6Very high30 Ų3043.3 Ų43.321%0.2125%0.249CC..EExtended strand (participates in β ladder)trans-127.7167.4166.180.20000111.5P140 K223 V224P140-S234 VanDerWaalsContact O-CB 3.23Å; P140-S234 WeakPolarHBondContact O-CB 3.43Å; P140-S234 PolarHBondContact O-OG 3.34Å; K223-S234 WeakPolarHBondContact CA-O 2.93Å; V224-S234 WeakPolarHBondContact CG1-OG 3.3Å; V224-S234 PolarHBondContact N-O 2.91Å; V224-S234 PolarHBondContact O-N 2.93Å; V224-S234 VanDerWaalsContact O-N 3.11Å
235T93.4Very high90.2Very high73 Ų7344.8 Ų44.845%0.44826%0.258SS..EExtended strand (participates in β ladder)trans-136.6134.3176.861.30000111.2L182 I222 K223L182-T235 HydrophobicContact CD1-CG2 4.13Å; I222-T235 CarbonylContact O-C 3.37Å; I222-T235 WeakPolarHBondContact O-CA 3.12Å; K223-T235 HydrophobicContact CB-CG2 3.97Å; K223-T235 HydrophobicContact CG-CG2 3.97Å
236A93.3Very high89.9Confident1 Ų145.3 Ų45.31%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-107.8148.816700000110.4F142 P145 I147 K221 I222F142-A236 HydrophobicContact CB-CB 4.05Å; F142-A236 HydrophobicContact CD2-CB 3.64Å; F142-A236 HydrophobicContact CE2-CB 4.23Å; F142-A236 HydrophobicContact CG-CB 3.83Å; P145-A236 WeakPolarHBondContact O-CA 3.13Å; I147-A236 HydrophobicContact CD1-CB 3.83Å; I147-A236 HydrophobicContact CG1-CB 4.13Å; K221-A236 CarbonylContact C-O 3.5Å; K221-A236 VanDerWaalsContact CA-O 3.32Å; K221-A236 WeakPolarHBondContact CA-O 3.31Å; I222-A236 HydrophobicContact CG2-CB 4.04Å; I222-A236 PolarHBondContact N-O 3.05Å; I222-A236 PolarHBondContact O-N 2.54Å
237I94Very high89.6Confident65 Ų6550 Ų5033%0.33329%0.287SS..EExtended strand (participates in β ladder)trans-77.9122.6170-60.2177.6000107.7P145 V146 I147 V219P145-I237 PolarHBondContact O-N 2.89Å; V146-I237 CarbonylContact C-O 3.37Å; V146-I237 WeakPolarHBondContact CA-O 3.25Å; V146-I237 HydrophobicContact CG1-CB 4.41Å; V146-I237 HydrophobicContact CG2-CB 4.35Å; I147-I237 PolarHBondContact N-O 2.86Å; V219-I237 HydrophobicContact CG1-CG2 3.74Å
238L92.6Very high89.6Confident0 Ų052.4 Ų52.40%030%0.299CS..EExtended strand (participates in β ladder)trans-98.5103.9174.9-174.963.5000108.2I147 I149 I163 L181 L204 M220 V240I147-L238 HydrophobicContact CB-CD1 3.98Å; I147-L238 HydrophobicContact CG2-CD1 3.8Å; I149-L238 HydrophobicContact CD1-CD1 3.78Å; I149-L238 HydrophobicContact CG1-CD1 4.06Å; I163-L238 HydrophobicContact CD1-CD2 3.99Å; L181-L238 HydrophobicContact CD1-CD2 3.98Å; L204-L238 HydrophobicContact CD1-CD2 3.82Å; L204-L238 HydrophobicContact CD2-CD2 4.3Å; M220-L238 HydrophobicContact CB-CB 4.39Å; M220-L238 HydrophobicContact CE-CD2 4.21Å; M220-L238 PolarHBondContact N-O 2.92Å; M220-L238 PolarHBondContact O-N 2.78Å; L238-V240 HydrophobicContact CG-CG2 4.21Å
239Q93.4Very high89.6Confident74 Ų7458.3 Ų58.335%0.34632%0.32SS..EExtended strand (participates in β ladder)trans-101.3108.3178.7178.2169.7-21.200109V146 I147 N148 I149 V219V146-Q239 HydrophobicContact CG1-CB 4.49Å; I147-Q239 PolarHBondContact O-N 2.93Å; N148-Q239 WeakPolarHBondContact CA-O 3.43Å; I149-Q239 PolarHBondContact N-O 2.78Å; V219-Q239 HydrophobicContact CG2-CG 4.49Å
240V92.8Very high90Very high0 Ų051.8 Ų51.80%028%0.28CS..EExtended strand (participates in β ladder)trans-99.9121.7177.5-170.70000108.8I149 I151 F188 L204 Y218 M220 L238I149-V240 VanDerWaalsContact O-CA 3.31Å; I149-V240 WeakPolarHBondContact O-CA 3.5Å; I151-V240 HydrophobicContact CD1-CG1 3.71Å; I151-V240 HydrophobicContact CG1-CG1 4.03Å; F188-V240 HydrophobicContact CE1-CG1 4.16Å; F188-V240 HydrophobicContact CE2-CB 4.45Å; F188-V240 HydrophobicContact CE2-CG1 4.28Å; F188-V240 HydrophobicContact CZ-CB 4.34Å; F188-V240 HydrophobicContact CZ-CG1 3.69Å; L204-V240 HydrophobicContact CD2-CG2 3.68Å; Y218-V240 PolarHBondContact N-O 3.5Å; Y218-V240 PolarHBondContact O-N 2.89Å; M220-V240 HydrophobicContact CE-CG2 3.71Å; L238-V240 HydrophobicContact CG-CG2 4.21Å
241T91.6Very high90.1Very high48 Ų4850.5 Ų50.529%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-106.9124.2173.753.30000109.2I149 S150 I151 T217 S243I149-T241 PolarHBondContact O-N 2.7Å; S150-T241 WeakPolarHBondContact CA-O 3.19Å; I151-T241 PolarHBondContact N-O 2.93Å; T217-T241 HydrophobicContact CG2-CG2 4.3Å; T241-S243 PolarHBondContact O-N 3.09Å
242V91.7Very high90.2Very high9 Ų946 Ų466%0.05525%0.249CC..EExtended strand (participates in β ladder)trans-77120172.5-172.80000107.7I151 E153 L210 R212 D216 Y218I151-V242 CarbonylContact O-C 3.58Å; I151-V242 VanDerWaalsContact O-CA 3.28Å; I151-V242 WeakPolarHBondContact O-CA 3.22Å; E153-V242 HydrophobicContact CB-CG1 3.61Å; L210-V242 HydrophobicContact CB-CG1 4.27Å; L210-V242 HydrophobicContact CD2-CG2 4.01Å; R212-V242 HydrophobicContact CB-CB 4.3Å; R212-V242 HydrophobicContact CB-CG1 3.84Å; R212-V242 HydrophobicContact CG-CB 4.16Å; R212-V242 HydrophobicContact CG-CG1 4.16Å; D216-V242 PolarHBondContact O-N 2.91Å; Y218-V242 HydrophobicContact CD2-CG2 4.19Å; Y218-V242 HydrophobicContact CE2-CG2 3.8Å
243S88.1Confident89.8Confident38 Ų3850.4 Ų50.427%0.26627%0.268SS..EExtended strand (participates in β ladder)trans-90.9131.8178.645.50000111.5S150 I151 P152 E153 T241S150-S243 WeakPolarHBondContact OG-CB 2.97Å; S150-S243 PolarHBondContact OG-OG 2.97Å; I151-S243 PolarHBondContact O-N 3.17Å; I151-S243 PolarHBondContact O-OG 2.72Å; P152-S243 WeakPolarHBondContact CA-O 3Å; P152-S243 WeakPolarHBondContact CA-OG 3.39Å; E153-S243 PolarHBondContact N-O 3.19Å; T241-S243 PolarHBondContact O-N 3.09Å
244D89Confident89.4Confident41 Ų4153.2 Ų53.222%0.21927%0.274CS..PPolyproline II helixtrans-54.9130.3-177.5-171.392.9000113.1E153 R212 I281 N284E153-D244 VanDerWaalsContact OE1-CA 3.29Å; E153-D244 WeakPolarHBondContact OE1-CA 3.4Å; R212-D244 IonicContact CZ-OD1 3.89Å; R212-D244 IonicContact NE-OD1 2.66Å; R212-D244 PolarHBondContact NE-OD1 2.69Å; R212-D244 IonicContact NH2-OD1 2.88Å; R212-D244 PolarHBondContact NH2-OD1 2.99Å; D244-I281 PolarHBondContact OD1-N 3.35Å; D244-N284 WeakPolarHBondContact OD2-CB 3.41Å; D244-N284 PolarHBondContact OD2-ND2 3.25Å
245V86.2Confident89Confident30 Ų3054 Ų5418%0.18229%0.286CS..  trans-124.6134.2172.5178.80000108.5P152 E153 N154 D247P152-V245 HydrophobicContact CB-CG2 3.9Å; E153-V245 HydrophobicContact CG-CB 3.98Å; E153-V245 HydrophobicContact CG-CG2 4.06Å; E153-V245 PolarHBondContact OE1-N 2.61Å; N154-V245 HydrophobicContact CB-CG1 4.22Å; N154-V245 HydrophobicContact CB-CG2 4.38Å; V245-D247 VanDerWaalsContact C-N 3.28Å; V245-D247 PolarHBondContact O-N 2.77Å
246N86.4Confident88.9Confident45 Ų4558 Ų5824%0.24130%0.3CS..  trans-70.681.7177.8-170.7-171.1000111.4D280 N284 D334 S336N246-D280 VanDerWaalsContact CA-OD2 3.26Å; N246-D280 WeakPolarHBondContact CA-OD2 3.21Å; N246-D280 PolarHBondContact ND2-OD2 2.93Å; N246-N284 HydrophobicContact CB-CB 3.86Å; N246-N284 PolarHBondContact N-ND2 2.87Å; N246-D334 PolarHBondContact ND2-OD2 3.16Å; N246-D334 PolarHBondContact OD1-OD2 3.21Å; N246-S336 PolarHBondContact OD1-N 3.07Å
247D84.8Confident88.8Confident100 Ų10059 Ų5954%0.53531%0.307SS..  trans-116-22.2-175.8115.8-41.8000113V245V245-D247 VanDerWaalsContact C-N 3.28Å; V245-D247 PolarHBondContact O-N 2.77Å
248N85.6Confident88.7Confident54 Ų5462.1 Ų62.129%0.28932%0.32SS..SBendtrans-72.6-168.3161.7-63.3-82.1000110.6D278 A279 D280N248-D278 WeakPolarHBondContact CB-OD1 3.17Å; N248-A279 HydrophobicContact CB-CB 4.23Å; N248-D280 VanDerWaalsContact CB-OD1 3.25Å; N248-D280 WeakPolarHBondContact CB-OD1 3.34Å; N248-D280 PolarHBondContact N-OD1 2.96Å; N248-D280 PolarHBondContact ND2-OD1 3.21Å
249R85.6Confident88.7Confident125 Ų12563.3 Ų63.347%0.47233%0.327SS..  trans-160.8161.7176.173.7-17370.2-159.6-6.8109.3V251 D278 T338R249-V251 PolarHBondContact O-N 2.96Å; R249-D278 VanDerWaalsContact C-CG 3.48Å; R249-D278 PolarHBondContact N-OD1 3.27Å; R249-T338 PolarHBondContact NH1-OG1 3.45Å; R249-T338 PolarHBondContact NH2-OG1 3.24Å
250P91.7Very high88.8Confident2 Ų265.6 Ų65.61%0.01334%0.337CS..  trans-65141179.3-2131.6000110.7A276 D278 I287 A332 D334 A340P250-A276 HydrophobicContact CB-CB 4.08Å; P250-D278 VanDerWaalsContact CA-OD2 3.3Å; P250-D278 WeakPolarHBondContact CA-OD2 3.3Å; P250-D278 WeakPolarHBondContact CD-OD2 3.22Å; P250-D278 VanDerWaalsContact CG-OD2 3.25Å; P250-D278 WeakPolarHBondContact CG-OD2 3.25Å; P250-I287 HydrophobicContact CB-CD1 4.13Å; P250-I287 HydrophobicContact CB-CG1 4.16Å; P250-I287 HydrophobicContact CB-CG2 4.18Å; P250-I287 HydrophobicContact CG-CG1 4.13Å; P250-I287 HydrophobicContact CG-CG2 4.28Å; P250-A332 HydrophobicContact CB-CB 3.92Å; P250-A332 HydrophobicContact CG-CB 4.47Å; P250-D334 HydrophobicContact CG-CB 4.14Å; P250-A340 HydrophobicContact CB-CB 4.13Å; P250-A340 WeakPolarHBondContact O-CB 3.42Å
251V88.2Confident88.8Confident85 Ų8566 Ų6652%0.51534%0.339SS..EExtended strand (participates in β ladder)trans-125.3120.2174.7-178.20000110R249 A276 T277R249-V251 PolarHBondContact O-N 2.96Å; V251-A276 CarbonylContact O-C 3.58Å; V251-A276 WeakPolarHBondContact O-CA 3.19Å; V251-T277 PolarHBondContact N-O 3.11Å; V251-T277 PolarHBondContact O-N 3.23Å
252F90.3Very high88.9Confident21 Ų2166.1 Ų66.19%0.09234%0.341CS..EExtended strand (participates in β ladder)trans-74.2137.9169.3-71.5-75.8000110.6E254 L274 A276 Y289 V330 A332 A340 A342F252-E254 PolarHBondContact O-N 2.72Å; F252-L274 HydrophobicContact CE1-CB 4Å; F252-L274 HydrophobicContact CE1-CD1 4.37Å; F252-A276 HydrophobicContact CD1-CB 3.86Å; F252-A276 HydrophobicContact CE1-CB 4.05Å; F252-A276 HydrophobicContact CG-CB 4.16Å; F252-Y289 HydrophobicContact CE1-CD1 4.19Å; F252-Y289 AromaticContact CE1-CE1 3.77Å; F252-Y289 HydrophobicContact CE1-CE1 3.77Å; F252-Y289 HydrophobicContact CZ-CD1 4.19Å; F252-Y289 HydrophobicContact CZ-CE1 4.11Å; F252-V330 HydrophobicContact CZ-CG1 4.29Å; F252-A332 HydrophobicContact CE1-CB 4.28Å; F252-A332 HydrophobicContact CE2-CB 3.69Å; F252-A332 HydrophobicContact CZ-CB 3.51Å; F252-A340 HydrophobicContact CD2-CB 3.76Å; F252-A340 HydrophobicContact CE2-CB 3.83Å; F252-A342 HydrophobicContact CB-CB 4.31Å; F252-A342 HydrophobicContact CD1-CB 4Å; F252-A342 HydrophobicContact CD2-CB 3.64Å; F252-A342 HydrophobicContact CE1-CB 4.15Å; F252-A342 HydrophobicContact CE2-CB 3.8Å; F252-A342 HydrophobicContact CG-CB 3.74Å; F252-A342 HydrophobicContact CZ-CB 4.05Å
253K82.3Confident89Confident153 Ų15366 Ų6667%0.66534%0.34SS*.SBendtrans-64.1-30.9174.5-67.2176.9179.5166.40112.8H275K253-H275 PolarHBondContact NZ-CD2 3.46Å; K253-H275 PolarHBondContact NZ-NE2 2.83Å
254E84.3Confident89.1Confident124 Ų12469.3 Ų69.358%0.57935%0.354SS*.  trans-132.6120.7-179.8-67.5173.2-16400109.3F252 V257F252-E254 PolarHBondContact O-N 2.72Å; E254-V257 HydrophobicContact CB-CG2 3.85Å
255G84.1Confident89.3Confident45 Ų4567.7 Ų67.746%0.46435%0.347SS..SBendtrans-78.9-23.5-17800000114.1A342 T343G255-A342 WeakPolarHBondContact O-CA 3.18Å; G255-T343 PolarHBondContact O-N 2.71Å
256Q89.8Confident89.6Confident158 Ų15870.7 Ų70.774%0.73837%0.367SS*.EExtended strand (participates in β ladder)trans-139.3135.2175.2-46.9-159-83.800109.1T343Q256-T343 VanDerWaalsContact CA-O 3.31Å; Q256-T343 WeakPolarHBondContact CA-O 3.05Å; Q256-T343 WeakPolarHBondContact CG-OG1 3.08Å; Q256-T343 PolarHBondContact NE2-OG1 3.39Å; Q256-T343 VanDerWaalsContact NE2-OG1 3.07Å
257V91.2Very high89.8Confident23 Ų2373 Ų7314%0.13938%0.383CS..EExtended strand (participates in β ladder)trans-137.5140.8179.5-166.30000109.2E254 V259 I272 T343 V344 T345E254-V257 HydrophobicContact CB-CG2 3.85Å; V257-V259 HydrophobicContact CG1-CG2 4.25Å; V257-I272 HydrophobicContact CB-CD1 4.15Å; V257-I272 HydrophobicContact CG1-CD1 3.62Å; V257-I272 HydrophobicContact CG2-CD1 4.46Å; V257-T343 PolarHBondContact N-O 3.45Å; V257-V344 CarbonylContact O-C 3.54Å; V257-V344 VanDerWaalsContact O-CA 3.31Å; V257-V344 WeakPolarHBondContact O-CA 3.41Å; V257-T345 PolarHBondContact O-N 3.4Å
258E92.6Very high90.1Very high130 Ų13070.7 Ų70.761%0.60738%0.382SS*.EExtended strand (participates in β ladder)trans-116.5131175.6-52.9-154.1132.700110.1T345E258-T345 WeakPolarHBondContact CA-O 3.49Å; E258-T345 PolarHBondContact OE1-OG1 2.96Å
259V93.7Very high90.5Very high25 Ų2570.1 Ų70.115%0.15238%0.38CS..EExtended strand (participates in β ladder)trans-131.3139.2-171.9-173.90000108.9V257 V271 I272 V344 T345 N347V257-V259 HydrophobicContact CG1-CG2 4.25Å; V259-V271 HydrophobicContact CB-CG1 4.47Å; V259-V271 HydrophobicContact CG1-CG1 3.91Å; V259-I272 HydrophobicContact CG2-CB 4.13Å; V259-I272 HydrophobicContact CG2-CD1 3.83Å; V259-I272 HydrophobicContact CG2-CG2 4.35Å; V259-V344 HydrophobicContact CG2-CG1 4.01Å; V259-T345 PolarHBondContact N-O 3.32Å; V259-N347 PolarHBondContact O-N 2.88Å
260H94Very high90.9Very high121 Ų12167.8 Ų67.856%0.5638%0.383SS*.EExtended strand (participates in β ladder)trans-111.5132.4178.6-6578.6000109.5N347 T349H260-N347 WeakPolarHBondContact CA-O 3.42Å; H260-N347 PolarHBondContact NE2-ND2 3.43Å; H260-T349 HydrophobicContact CB-CG2 3.94Å
261I93.9Very high90.9Very high8 Ų868.5 Ų68.54%0.04139%0.388CS..EExtended strand (participates in β ladder)trans-142.2132.6-179.3-170.4167.5000109.7A265 T269 V271 V314 L318 I346 N347 V348 T349I261-A265 HydrophobicContact CD1-CB 3.81Å; I261-A265 HydrophobicContact CG1-CB 3.69Å; I261-T269 HydrophobicContact CD1-CG2 3.95Å; I261-V271 HydrophobicContact CD1-CG2 3.9Å; I261-V314 HydrophobicContact CD1-CG2 3.52Å; I261-L318 HydrophobicContact CD1-CD1 4.46Å; I261-L318 HydrophobicContact CG2-CD1 3.88Å; I261-I346 HydrophobicContact CG2-CG2 3.6Å; I261-N347 PolarHBondContact N-O 3.06Å; I261-N347 VanDerWaalsContact N-O 3.07Å; I261-V348 CarbonylContact O-C 3.59Å; I261-V348 VanDerWaalsContact O-CA 3.31Å; I261-V348 WeakPolarHBondContact O-CA 3.19Å; I261-T349 PolarHBondContact O-N 2.81Å; I261-T349 PolarHBondContact O-OG1 2.72Å
262P93.4Very high91.1Very high51 Ų5166 Ų6633%0.33137%0.371SS..EExtended strand (participates in β ladder)trans-69.7147.9174.530.5-35.7000110.8N264 A265 T349 V351P262-N264 VanDerWaalsContact C-N 3.29Å; P262-N264 WeakPolarHBondContact CB-OD1 3.1Å; P262-N264 PolarHBondContact O-N 3.03Å; P262-A265 HydrophobicContact CG-CB 4.43Å; P262-A265 WeakPolarHBondContact O-CB 3.29Å; P262-A265 PolarHBondContact O-N 2.77Å; P262-A265 VanDerWaalsContact O-N 3.07Å; P262-T349 WeakPolarHBondContact CA-O 3.46Å; P262-T349 VanDerWaalsContact CA-OG1 3.27Å; P262-T349 WeakPolarHBondContact CA-OG1 3.18Å; P262-V351 HydrophobicContact CB-CG2 3.74Å
263E93.6Very high91.2Very high7 Ų770.9 Ų70.93%0.03339%0.394CS..THydrogen-bonded Turntrans-65.4-33.2-17959-147.411300113.9A265 L318 R320 V348 T349 D350 V351E263-A265 PolarHBondContact O-N 3.35Å; E263-L318 HydrophobicContact CB-CB 4.19Å; E263-R320 WeakPolarHBondContact OE2-CB 3.29Å; E263-R320 PolarHBondContact OE2-N 2.8Å; E263-V348 HydrophobicContact CB-CG1 3.61Å; E263-T349 PolarHBondContact N-O 2.7Å; E263-D350 VanDerWaalsContact OE1-CA 3.3Å; E263-D350 WeakPolarHBondContact OE1-CA 3.38Å; E263-V351 HydrophobicContact CG-CB 4.05Å; E263-V351 HydrophobicContact CG-CG2 4.16Å; E263-V351 PolarHBondContact OE1-N 2.74Å
264N90.8Very high91.7Very high107 Ų10764.1 Ų64.157%0.57237%0.365SS*.THydrogen-bonded Turntrans-69.16.1172.878.3-3.7000114.4P262 V351P262-N264 VanDerWaalsContact C-N 3.29Å; P262-N264 WeakPolarHBondContact CB-OD1 3.1Å; P262-N264 PolarHBondContact O-N 3.03Å; N264-V351 HydrophobicContact CB-CG1 4.34Å; N264-V351 HydrophobicContact CB-CG2 4.44Å
265A92.7Very high91.9Very high7 Ų762.7 Ų62.76%0.05836%0.358CS..PPolyproline II helixtrans-58.1122174.500000110.8I261 P262 E263 T269I261-A265 HydrophobicContact CD1-CB 3.81Å; I261-A265 HydrophobicContact CG1-CB 3.69Å; P262-A265 HydrophobicContact CG-CB 4.43Å; P262-A265 WeakPolarHBondContact O-CB 3.29Å; P262-A265 PolarHBondContact O-N 2.77Å; P262-A265 VanDerWaalsContact O-N 3.07Å; E263-A265 PolarHBondContact O-N 3.35Å; A265-T269 HydrophobicContact CB-CG2 4.24Å
266P92.4Very high92.2Very high93 Ų9360.7 Ų60.760%0.60434%0.337SS*.PPolyproline II helixtrans-64.8149.4-175.924.8-33.5000111.8G268 T269P266-G268 PolarHBondContact O-N 2.86Å; P266-T269 WeakPolarHBondContact CD-OG1 3.36Å; P266-T269 VanDerWaalsContact O-CB 3.27Å; P266-T269 WeakPolarHBondContact O-CB 3.08Å; P266-T269 PolarHBondContact O-N 2.89Å; P266-T269 PolarHBondContact O-OG1 3.44Å
267V91.2Very high92.2Very high95 Ų9556.1 Ų56.158%0.57632%0.321SS*.THydrogen-bonded Turntrans-55.5129.8172.6176.50000109.8Q315V267-Q315 WeakPolarHBondContact CG1-O 3.36Å
268G91.3Very high92.1Very high51 Ų5156.7 Ų56.753%0.52632%0.323SS..THydrogen-bonded Turntrans100.2-9.2-169.700000114.5P266 S270 V314P266-G268 PolarHBondContact O-N 2.86Å; G268-S270 PolarHBondContact O-N 2.9Å; G268-V314 PolarHBondContact N-O 3.2Å
269T93.7Very high91.8Very high41 Ų4152.9 Ų52.925%0.25231%0.313SS..  trans-59.1125.5176.4-63.30000111.3I261 A265 P266 V271 T313 V314I261-T269 HydrophobicContact CD1-CG2 3.95Å; A265-T269 HydrophobicContact CB-CG2 4.24Å; P266-T269 WeakPolarHBondContact CD-OG1 3.36Å; P266-T269 VanDerWaalsContact O-CB 3.27Å; P266-T269 WeakPolarHBondContact O-CB 3.08Å; P266-T269 PolarHBondContact O-N 2.89Å; P266-T269 PolarHBondContact O-OG1 3.44Å; T269-V271 PolarHBondContact O-N 3.41Å; T269-T313 CarbonylContact O-C 3.55Å; T269-T313 VanDerWaalsContact O-CA 3.28Å; T269-T313 WeakPolarHBondContact O-CA 2.99Å; T269-V314 PolarHBondContact O-N 3.07Å
270S92.8Very high91.6Very high76 Ų7652 Ų5253%0.53131%0.308SS..EExtended strand (participates in β ladder)trans-68.5115.1170.9-65.60000110.4G268G268-S270 PolarHBondContact O-N 2.9Å
271V92.7Very high91.2Very high17 Ų1751.5 Ų51.510%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-81.5-55.4177.9-172.30000110V259 I261 T269 F303 I312 V314 I346V259-V271 HydrophobicContact CB-CG1 4.47Å; V259-V271 HydrophobicContact CG1-CG1 3.91Å; I261-V271 HydrophobicContact CD1-CG2 3.9Å; T269-V271 PolarHBondContact O-N 3.41Å; V271-F303 HydrophobicContact CG2-CD1 3.97Å; V271-F303 HydrophobicContact CG2-CE1 4.01Å; V271-I312 HydrophobicContact CB-CB 4.38Å; V271-I312 HydrophobicContact CB-CG2 4.16Å; V271-I312 HydrophobicContact CG2-CG2 4.18Å; V271-I312 PolarHBondContact N-O 2.91Å; V271-V314 HydrophobicContact CG2-CG2 3.83Å; V271-I346 HydrophobicContact CG1-CD1 4.11Å; V271-I346 HydrophobicContact CG1-CG1 4.21Å; V271-I346 HydrophobicContact CG1-CG2 4.21Å
272I92.9Very high90.7Very high34 Ų3453.8 Ų53.817%0.17433%0.334CS..EExtended strand (participates in β ladder)trans-160.9145.3179-177.8165.4000109.5V257 V259 L274 I312 V344V257-I272 HydrophobicContact CB-CD1 4.15Å; V257-I272 HydrophobicContact CG1-CD1 3.62Å; V257-I272 HydrophobicContact CG2-CD1 4.46Å; V259-I272 HydrophobicContact CG2-CB 4.13Å; V259-I272 HydrophobicContact CG2-CD1 3.83Å; V259-I272 HydrophobicContact CG2-CG2 4.35Å; I272-L274 HydrophobicContact CD1-CD2 4.04Å; I272-L274 HydrophobicContact CG1-CD2 4.32Å; I272-I312 HydrophobicContact CG2-CB 4.18Å; I272-I312 HydrophobicContact CG2-CD1 3.94Å; I272-I312 HydrophobicContact CG2-CG1 4.31Å; I272-I312 PolarHBondContact O-N 2.83Å; I272-V344 HydrophobicContact CG2-CG1 4.09Å; I272-V344 HydrophobicContact CG2-CG2 4.35Å
273Q92.1Very high90.3Very high123 Ų12355.7 Ų55.758%0.57535%0.349SS*.EExtended strand (participates in β ladder)trans-101.6113.8165.8-167.2174.3-0.200109.7T309 L311Q273-T309 VanDerWaalsContact CG-O 3.29Å; Q273-T309 WeakPolarHBondContact CG-O 3.5Å; Q273-T309 PolarHBondContact NE2-O 3.05Å; Q273-L311 HydrophobicContact CB-CD1 3.84Å; Q273-L311 HydrophobicContact CG-CB 4.3Å; Q273-L311 HydrophobicContact CG-CD1 4.32Å
274L91.5Very high89.8Confident10 Ų1057.6 Ų57.65%0.05236%0.359CS..  trans-81.2147171.3-62178.7000110.1F252 I272 G310 I312 V330 V344F252-L274 HydrophobicContact CE1-CB 4Å; F252-L274 HydrophobicContact CE1-CD1 4.37Å; I272-L274 HydrophobicContact CD1-CD2 4.04Å; I272-L274 HydrophobicContact CG1-CD2 4.32Å; L274-G310 PolarHBondContact N-O 2.91Å; L274-I312 HydrophobicContact CD1-CD1 4.35Å; L274-V330 HydrophobicContact CD1-CB 3.6Å; L274-V330 HydrophobicContact CD1-CG1 4.02Å; L274-V330 HydrophobicContact CD1-CG2 3.58Å; L274-V344 HydrophobicContact CD1-CG2 3.95Å; L274-V344 HydrophobicContact CD2-CG2 3.87Å; L274-V344 HydrophobicContact CG-CG2 4.31Å
275H89.1Confident89.6Confident94 Ų9454.2 Ų54.244%0.43535%0.346SS..  trans-142.6112-179.517072.2000109.4K253 T277K253-H275 PolarHBondContact NZ-CD2 3.46Å; K253-H275 PolarHBondContact NZ-NE2 2.83Å; H275-T277 WeakPolarHBondContact NE2-CG2 3.22Å
276A90.9Very high89.3Confident3 Ų357.9 Ų57.93%0.02536%0.362CS..EExtended strand (participates in β ladder)trans-96.6159.6162.900000109.9P250 V251 F252 I287 Y289 A332P250-A276 HydrophobicContact CB-CB 4.08Å; V251-A276 CarbonylContact O-C 3.58Å; V251-A276 WeakPolarHBondContact O-CA 3.19Å; F252-A276 HydrophobicContact CD1-CB 3.86Å; F252-A276 HydrophobicContact CE1-CB 4.05Å; F252-A276 HydrophobicContact CG-CB 4.16Å; A276-I287 HydrophobicContact CB-CD1 4.04Å; A276-I287 HydrophobicContact CB-CG2 4.41Å; A276-I287 WeakPolarHBondContact O-CD1 2.9Å; A276-Y289 HydrophobicContact CB-CE1 4.2Å; A276-Y289 PolarHBondContact N-OH 3.17Å; A276-A332 HydrophobicContact CB-CB 3.98Å
277T88.9Confident89.3Confident63 Ų6354.5 Ų54.539%0.38734%0.338SS..EExtended strand (participates in β ladder)trans-126.9145.8173.649.20000109.8V251 H275V251-T277 PolarHBondContact N-O 3.11Å; V251-T277 PolarHBondContact O-N 3.23Å; H275-T277 WeakPolarHBondContact NE2-CG2 3.22Å
278D89.4Confident89.3Confident34 Ų3456.1 Ų56.118%0.18233%0.334CS..  trans-118.9166.5170.3-133.1-49.2000110.5N248 R249 P250 A285 I287N248-D278 WeakPolarHBondContact CB-OD1 3.17Å; R249-D278 VanDerWaalsContact C-CG 3.48Å; R249-D278 PolarHBondContact N-OD1 3.27Å; P250-D278 VanDerWaalsContact CA-OD2 3.3Å; P250-D278 WeakPolarHBondContact CA-OD2 3.3Å; P250-D278 WeakPolarHBondContact CD-OD2 3.22Å; P250-D278 VanDerWaalsContact CG-OD2 3.25Å; P250-D278 WeakPolarHBondContact CG-OD2 3.25Å; D278-A285 HydrophobicContact CB-CB 4.28Å; D278-I287 HydrophobicContact CB-CD1 4.24Å; D278-I287 HydrophobicContact CB-CG1 4.32Å
279A87.2Confident89.4Confident50 Ų5054.3 Ų54.341%0.41331%0.312SS..  trans-109.8-19.9-17800000114E213 N248E213-A279 HydrophobicContact CG-CB 4.05Å; N248-A279 HydrophobicContact CB-CB 4.23Å
280D89.9Confident89.4Confident8 Ų856.9 Ų56.94%0.04332%0.323CS..SBendtrans-63.2178.6175.7-57.9-16.9000112.2N246 N248 N284 A285N246-D280 VanDerWaalsContact CA-OD2 3.26Å; N246-D280 WeakPolarHBondContact CA-OD2 3.21Å; N246-D280 PolarHBondContact ND2-OD2 2.93Å; N248-D280 VanDerWaalsContact CB-OD1 3.25Å; N248-D280 WeakPolarHBondContact CB-OD1 3.34Å; N248-D280 PolarHBondContact N-OD1 2.96Å; N248-D280 PolarHBondContact ND2-OD1 3.21Å; D280-N284 HydrophobicContact CB-CB 3.75Å; D280-A285 WeakPolarHBondContact O-CB 3.2Å
281I84Confident89.4Confident109 Ų10955.4 Ų55.456%0.55931%0.307SS*.  trans-119.3146179-82.6-179.8000113.4D244 S283D244-I281 PolarHBondContact OD1-N 3.35Å; I281-S283 PolarHBondContact O-N 2.96Å
282G84.6Confident89.3Confident57 Ų5754.6 Ų54.659%0.58830%0.302SS*.G310 helixtrans70.6-128.4171.500000112.2N284 A285G282-N284 VanDerWaalsContact C-N 3.27Å; G282-N284 PolarHBondContact O-N 2.72Å; G282-A285 PolarHBondContact O-N 2.71Å
283S84Confident89Confident91 Ų9157.6 Ų57.664%0.63633%0.331SS*.G310 helixtrans-66.7-27-178.3-64.60000113.5I281 A285 E286I281-S283 PolarHBondContact O-N 2.96Å; S283-A285 PolarHBondContact O-N 2.74Å; S283-E286 WeakPolarHBondContact O-CB 3.21Å; S283-E286 PolarHBondContact O-N 2.69Å; S283-E286 VanDerWaalsContact O-N 3.13Å
284N84.4Confident88.8Confident47 Ų4756.4 Ų56.425%0.25133%0.326SS..G310 helixtrans-71.3-22177.9-64.3-11.1000111.6D244 N246 D280 G282 D334D244-N284 WeakPolarHBondContact OD2-CB 3.41Å; D244-N284 PolarHBondContact OD2-ND2 3.25Å; N246-N284 HydrophobicContact CB-CB 3.86Å; N246-N284 PolarHBondContact N-ND2 2.87Å; D280-N284 HydrophobicContact CB-CB 3.75Å; G282-N284 VanDerWaalsContact C-N 3.27Å; G282-N284 PolarHBondContact O-N 2.72Å; N284-D334 VanDerWaalsContact O-CB 3.24Å; N284-D334 WeakPolarHBondContact O-CB 3.16Å
285A85.1Confident88.7Confident35 Ų3556.1 Ų56.129%0.28932%0.324SS..G310 helixtrans-93.88.4170.700000114.3D278 D280 G282 S283 I287D278-A285 HydrophobicContact CB-CB 4.28Å; D280-A285 WeakPolarHBondContact O-CB 3.2Å; G282-A285 PolarHBondContact O-N 2.71Å; S283-A285 PolarHBondContact O-N 2.74Å; A285-I287 VanDerWaalsContact C-N 3.32Å; A285-I287 PolarHBondContact O-N 2.69Å
286E87.5Confident88.6Confident84 Ų8453.9 Ų53.939%0.39332%0.322SS..  trans-81.374.3-177.1-159.8-157.411600112.1S283 R288S283-E286 WeakPolarHBondContact O-CB 3.21Å; S283-E286 PolarHBondContact O-N 2.69Å; S283-E286 VanDerWaalsContact O-N 3.13Å; E286-R288 PolarHBondContact O-N 3.31Å; E286-R288 IonicContact OE1-CZ 3.77Å; E286-R288 IonicContact OE1-NE 3.81Å; E286-R288 PolarHBondContact OE1-NE 2.74Å; E286-R288 IonicContact OE1-NH2 2.79Å; E286-R288 PolarHBondContact OE1-NH2 3.1Å; E286-R288 IonicContact OE2-NH2 2.8Å
287I91Very high88.5Confident22 Ų2258.5 Ų58.511%0.11335%0.352CS..  trans-60.8121.6-176.6-54171.3000112.2P250 A276 D278 A285 Y289 A332P250-I287 HydrophobicContact CB-CD1 4.13Å; P250-I287 HydrophobicContact CB-CG1 4.16Å; P250-I287 HydrophobicContact CB-CG2 4.18Å; P250-I287 HydrophobicContact CG-CG1 4.13Å; P250-I287 HydrophobicContact CG-CG2 4.28Å; A276-I287 HydrophobicContact CB-CD1 4.04Å; A276-I287 HydrophobicContact CB-CG2 4.41Å; A276-I287 WeakPolarHBondContact O-CD1 2.9Å; D278-I287 HydrophobicContact CB-CD1 4.24Å; D278-I287 HydrophobicContact CB-CG1 4.32Å; A285-I287 VanDerWaalsContact C-N 3.32Å; A285-I287 PolarHBondContact O-N 2.69Å; I287-Y289 HydrophobicContact CB-CE2 4.43Å; I287-Y289 HydrophobicContact CG2-CD2 4.46Å; I287-Y289 HydrophobicContact CG2-CE1 4.05Å; I287-Y289 HydrophobicContact CG2-CE2 3.9Å; I287-A332 HydrophobicContact CG2-CB 3.67Å
288R92Very high88.4Confident130 Ų13058.3 Ų58.349%0.49136%0.357SS..EExtended strand (participates in β ladder)trans-109131.7173.5-64.1176.4172.7-152.1-2111.8E286 N307 A332 S333E286-R288 PolarHBondContact O-N 3.31Å; E286-R288 IonicContact OE1-CZ 3.77Å; E286-R288 IonicContact OE1-NE 3.81Å; E286-R288 PolarHBondContact OE1-NE 2.74Å; E286-R288 IonicContact OE1-NH2 2.79Å; E286-R288 PolarHBondContact OE1-NH2 3.1Å; E286-R288 IonicContact OE2-NH2 2.8Å; R288-N307 CarbonylContact C-O 3.56Å; R288-N307 WeakPolarHBondContact CA-O 3.41Å; R288-A332 WeakPolarHBondContact O-CA 3.01Å; R288-S333 WeakPolarHBondContact CB-O 3.33Å; R288-S333 PolarHBondContact N-O 2.78Å; R288-S333 PolarHBondContact O-N 2.77Å
289Y93.6Very high88.5Confident13 Ų1357.5 Ų57.55%0.05135%0.354CS..EExtended strand (participates in β ladder)trans-101.1128.4-176.1-59.7-88.3000111.4F252 A276 I287 N307 T308 V330 L331 A332F252-Y289 HydrophobicContact CE1-CD1 4.19Å; F252-Y289 AromaticContact CE1-CE1 3.77Å; F252-Y289 HydrophobicContact CE1-CE1 3.77Å; F252-Y289 HydrophobicContact CZ-CD1 4.19Å; F252-Y289 HydrophobicContact CZ-CE1 4.11Å; A276-Y289 HydrophobicContact CB-CE1 4.2Å; A276-Y289 PolarHBondContact N-OH 3.17Å; I287-Y289 HydrophobicContact CB-CE2 4.43Å; I287-Y289 HydrophobicContact CG2-CD2 4.46Å; I287-Y289 HydrophobicContact CG2-CE1 4.05Å; I287-Y289 HydrophobicContact CG2-CE2 3.9Å; Y289-N307 PolarHBondContact N-O 3.03Å; Y289-N307 WeakPolarHBondContact O-CA 3.2Å; Y289-T308 WeakPolarHBondContact CE2-O 3.21Å; Y289-V330 HydrophobicContact CD1-CG1 4.1Å; Y289-L331 WeakPolarHBondContact CA-O 3.37Å; Y289-A332 HydrophobicContact CD1-CB 4.03Å; Y289-A332 HydrophobicContact CE1-CB 3.92Å
290I93Very high88.5Confident94 Ų9458.6 Ų58.648%0.48235%0.349SS..EExtended strand (participates in β ladder)trans-136.5151.4178.763.1176.4000112.1V330 L331I290-V330 WeakPolarHBondContact O-CA 3.28Å; I290-L331 HydrophobicContact CG1-CB 3.93Å; I290-L331 PolarHBondContact N-O 2.76Å; I290-L331 PolarHBondContact O-N 3.24Å
291F93.5Very high88.6Confident46 Ų4666.2 Ų66.220%0.20238%0.377CS..EExtended strand (participates in β ladder)trans-71.9133.1171.2-68.3-50.2000111.4K300 F303 L305 V328 V330F291-K300 HydrophobicContact CD2-CG 4.11Å; F291-F303 WeakPolarHBondContact CE2-O 3.39Å; F291-F303 HydrophobicContact CZ-CB 4.37Å; F291-F303 WeakPolarHBondContact CZ-O 3.39Å; F291-L305 HydrophobicContact CD1-CB 4.2Å; F291-L305 HydrophobicContact CD1-CD2 3.96Å; F291-L305 HydrophobicContact CD2-CB 4.44Å; F291-L305 HydrophobicContact CE1-CB 3.61Å; F291-L305 HydrophobicContact CE1-CD2 4.13Å; F291-L305 HydrophobicContact CE1-CG 4.46Å; F291-L305 HydrophobicContact CE2-CB 3.91Å; F291-L305 HydrophobicContact CG-CD2 4.35Å; F291-L305 HydrophobicContact CZ-CB 3.46Å; F291-L305 VanDerWaalsContact CZ-CB 3.46Å; F291-V328 HydrophobicContact CD1-CG1 3.67Å; F291-V328 HydrophobicContact CE1-CG1 3.55Å; F291-V330 HydrophobicContact CD1-CG2 4.34Å
292G90.8Very high88.9Confident0 Ų062.1 Ų62.10%036%0.356CS..  trans-58.2155.5174.900000113.6Q294 V295 K300 T329G292-Q294 PolarHBondContact O-N 3.28Å; G292-V295 PolarHBondContact O-N 2.74Å; G292-K300 PolarHBondContact O-NZ 2.69Å; G292-T329 PolarHBondContact N-O 3.46Å
293A86.6Confident89.4Confident96 Ų9659.4 Ų59.479%0.79333%0.328SS*.THydrogen-bonded Turntrans-57.9-37.517900000112.4V295A293-V295 VanDerWaalsContact C-N 3.28Å; A293-V295 PolarHBondContact O-N 3.08Å
294Q86.9Confident89.9Confident98 Ų9856.4 Ų56.446%0.45831%0.309SS..THydrogen-bonded Turntrans-72.3-7.6-179.870.4-80.59.500115.6G292 A296 T329G292-Q294 PolarHBondContact O-N 3.28Å; Q294-A296 PolarHBondContact O-N 3.49Å; Q294-T329 PolarHBondContact NE2-OG1 3.06Å
295V89.8Confident90.3Very high4 Ų455.5 Ų55.52%0.02430%0.304CS..SBendtrans-75.9125176.6179.80000108.9G292 A293 T299 K300 T329G292-V295 PolarHBondContact O-N 2.74Å; A293-V295 VanDerWaalsContact C-N 3.28Å; A293-V295 PolarHBondContact O-N 3.08Å; V295-T299 HydrophobicContact CG1-CG2 4.14Å; V295-K300 HydrophobicContact CB-CG 4.46Å; V295-K300 HydrophobicContact CG1-CG 3.99Å; V295-K300 WeakPolarHBondContact O-CE 3.34Å; V295-K300 PolarHBondContact O-NZ 3.48Å; V295-T329 WeakPolarHBondContact CG2-O 3.03Å
296A88.2Confident90.8Very high47 Ų4756.8 Ų56.839%0.38831%0.306SS..  trans-58.7143.2-171.800000112.7Q294 A298 T299 K300Q294-A296 PolarHBondContact O-N 3.49Å; A296-A298 PolarHBondContact O-N 2.98Å; A296-A298 VanDerWaalsContact O-N 3.15Å; A296-T299 PolarHBondContact O-N 3.39Å; A296-T299 VanDerWaalsContact O-N 3.13Å; A296-K300 PolarHBondContact O-N 3.09Å; A296-K300 VanDerWaalsContact O-N 3.09Å
297P87.6Confident91Very high100 Ų10057.2 Ų57.265%0.64931%0.311SS*.THydrogen-bonded Turntrans-58.7-26.2178.7-26.835.6000114.7R301P297-R301 WeakPolarHBondContact O-CG 3.41Å
298A87.4Confident90.9Very high60 Ų6060.2 Ų60.250%0.49633%0.33SS..THydrogen-bonded Turntrans-68-53.1172.900000111.3A296 K300 R301 L302A296-A298 PolarHBondContact O-N 2.98Å; A296-A298 VanDerWaalsContact O-N 3.15Å; A298-K300 PolarHBondContact O-N 2.98Å; A298-R301 WeakPolarHBondContact O-CA 3.23Å; A298-R301 WeakPolarHBondContact O-CB 3.27Å; A298-R301 PolarHBondContact O-N 3.37Å; A298-L302 PolarHBondContact O-N 3.39Å
299T90.7Very high90.8Very high17 Ų1756.6 Ų56.610%0.10432%0.323CS..Hα-helixtrans-56.7-36.3177-46.30000112.5V295 A296 R301 L302 F303 H326 V328V295-T299 HydrophobicContact CG1-CG2 4.14Å; A296-T299 PolarHBondContact O-N 3.39Å; A296-T299 VanDerWaalsContact O-N 3.13Å; T299-R301 PolarHBondContact O-N 2.67Å; T299-L302 PolarHBondContact O-N 2.73Å; T299-L302 VanDerWaalsContact O-N 3.13Å; T299-F303 HydrophobicContact CG2-CD2 3.81Å; T299-F303 HydrophobicContact CG2-CE2 4.16Å; T299-F303 PolarHBondContact O-N 2.78Å; T299-F303 VanDerWaalsContact O-N 3.13Å; T299-H326 HydrophobicContact CG2-CB 3.92Å; T299-V328 HydrophobicContact CG2-CG2 3.78Å
300K88.1Confident90.7Very high73 Ų7356 Ų5632%0.31732%0.32SS..Hα-helixtrans-67.1-6.3174-68.6-176.3178.6173.10114.9F291 G292 V295 A296 A298F291-K300 HydrophobicContact CD2-CG 4.11Å; G292-K300 PolarHBondContact O-NZ 2.69Å; V295-K300 HydrophobicContact CB-CG 4.46Å; V295-K300 HydrophobicContact CG1-CG 3.99Å; V295-K300 WeakPolarHBondContact O-CE 3.34Å; V295-K300 PolarHBondContact O-NZ 3.48Å; A296-K300 PolarHBondContact O-N 3.09Å; A296-K300 VanDerWaalsContact O-N 3.09Å; A298-K300 PolarHBondContact O-N 2.98Å
301R90.8Very high90.8Very high168 Ų16853.4 Ų53.463%0.63431%0.307SS*.Hα-helixtrans-101.4-22.7171.5-63.2167.7176.6-176.9-1.6112.7P297 A298 T299 R316P297-R301 WeakPolarHBondContact O-CG 3.41Å; A298-R301 WeakPolarHBondContact O-CA 3.23Å; A298-R301 WeakPolarHBondContact O-CB 3.27Å; A298-R301 PolarHBondContact O-N 3.37Å; T299-R301 PolarHBondContact O-N 2.67Å; R301-R316 WeakPolarHBondContact O-CD 2.93Å; R301-R316 WeakPolarHBondContact O-CG 3.4Å
302L92.2Very high90.8Very high22 Ų2251.2 Ų51.212%0.11530%0.298CS..Hα-helixtrans-86.2-34.2-179.1-62.7177.5000112A298 T299 Q315 R316 L318 H326A298-L302 PolarHBondContact O-N 3.39Å; T299-L302 PolarHBondContact O-N 2.73Å; T299-L302 VanDerWaalsContact O-N 3.13Å; L302-Q315 PolarHBondContact O-N 3.12Å; L302-R316 HydrophobicContact CD2-CB 4.12Å; L302-R316 PolarHBondContact O-N 2.71Å; L302-L318 HydrophobicContact CB-CD2 4.12Å; L302-L318 HydrophobicContact CD1-CD2 4.49Å; L302-H326 WeakPolarHBondContact CD1-CE1 3.15Å
303F95Very high91Very high0 Ų052.8 Ų52.80%031%0.307CS..EExtended strand (participates in β ladder)trans-122.1133.4-178.5-56.5-81.2000112.5V271 F291 T299 I312 T313 V314 L318 H326 I346V271-F303 HydrophobicContact CG2-CD1 3.97Å; V271-F303 HydrophobicContact CG2-CE1 4.01Å; F291-F303 WeakPolarHBondContact CE2-O 3.39Å; F291-F303 HydrophobicContact CZ-CB 4.37Å; F291-F303 WeakPolarHBondContact CZ-O 3.39Å; T299-F303 HydrophobicContact CG2-CD2 3.81Å; T299-F303 HydrophobicContact CG2-CE2 4.16Å; T299-F303 PolarHBondContact O-N 2.78Å; T299-F303 VanDerWaalsContact O-N 3.13Å; F303-I312 HydrophobicContact CB-CG2 4.02Å; F303-I312 HydrophobicContact CD1-CG2 4.17Å; F303-I312 HydrophobicContact CG-CG2 4.38Å; F303-T313 CarbonylContact C-O 3.53Å; F303-T313 VanDerWaalsContact CA-O 3.31Å; F303-T313 WeakPolarHBondContact CA-O 3.44Å; F303-V314 HydrophobicContact CE1-CG2 4.34Å; F303-L318 HydrophobicContact CE1-CD1 4.25Å; F303-L318 HydrophobicContact CE1-CD2 3.96Å; F303-L318 HydrophobicContact CE2-CD2 4.16Å; F303-L318 HydrophobicContact CZ-CD1 4.14Å; F303-L318 HydrophobicContact CZ-CD2 3.53Å; F303-H326 HydrophobicContact CE2-CB 4.09Å; F303-H326 AromaticContact CE2-CD2 3.32Å; F303-H326 WeakPolarHBondContact CE2-CD2 3.47Å; F303-H326 AromaticContact CE2-CG 3.76Å; F303-H326 AromaticContact CE2-NE2 3.73Å; F303-H326 AromaticContact CZ-CD2 3.5Å; F303-H326 VanDerWaalsContact CZ-CD2 3.5Å; F303-H326 WeakPolarHBondContact CZ-CD2 3.12Å; F303-H326 AromaticContact CZ-NE2 3.94Å; F303-I346 HydrophobicContact CD1-CD1 3.91Å; F303-I346 HydrophobicContact CD2-CD1 4.2Å; F303-I346 HydrophobicContact CE1-CD1 3.72Å; F303-I346 HydrophobicContact CE1-CG2 4.31Å; F303-I346 HydrophobicContact CE2-CD1 4.04Å; F303-I346 HydrophobicContact CG-CD1 4.14Å; F303-I346 HydrophobicContact CZ-CD1 3.8Å; F303-I346 HydrophobicContact CZ-CG2 4.1Å
304A93.2Very high91.4Very high28 Ų2848.2 Ų48.223%0.23127%0.27CS..EExtended strand (participates in β ladder)trans-101.4132.717000000110.3I312 T313 Q315A304-I312 WeakPolarHBondContact O-CA 3.45Å; A304-T313 PolarHBondContact N-O 2.74Å; A304-T313 PolarHBondContact O-N 2.68Å; A304-T313 PolarHBondContact O-OG1 2.9Å; A304-Q315 HydrophobicContact CB-CB 4.02Å; A304-Q315 HydrophobicContact CB-CG 4.29Å
305L94.2Very high91.7Very high29 Ų2948.3 Ų48.315%0.15227%0.27CS..EExtended strand (participates in β ladder)trans-104.7125173.1169.967.3000109.3F291 L311 I312 V330F291-L305 HydrophobicContact CD1-CB 4.2Å; F291-L305 HydrophobicContact CD1-CD2 3.96Å; F291-L305 HydrophobicContact CD2-CB 4.44Å; F291-L305 HydrophobicContact CE1-CB 3.61Å; F291-L305 HydrophobicContact CE1-CD2 4.13Å; F291-L305 HydrophobicContact CE1-CG 4.46Å; F291-L305 HydrophobicContact CE2-CB 3.91Å; F291-L305 HydrophobicContact CG-CD2 4.35Å; F291-L305 HydrophobicContact CZ-CB 3.46Å; F291-L305 VanDerWaalsContact CZ-CB 3.46Å; L305-L311 WeakPolarHBondContact CA-O 3.09Å; L305-I312 HydrophobicContact CD1-CG1 3.95Å; L305-V330 HydrophobicContact CD1-CG1 4.39Å; L305-V330 HydrophobicContact CD1-CG2 4.38Å; L305-V330 HydrophobicContact CD2-CG1 3.78Å; L305-V330 HydrophobicContact CD2-CG2 4.02Å
306N93.8Very high91.8Very high62 Ų6255.4 Ų55.433%0.33230%0.296SS..  trans-72.6126.1169-176.1-50000109.8T308 T309 G310 L311N306-T308 VanDerWaalsContact C-N 3.35Å; N306-T308 PolarHBondContact O-N 3.29Å; N306-T308 PolarHBondContact OD1-N 3.19Å; N306-T308 PolarHBondContact OD1-OG1 3.09Å; N306-T309 VanDerWaalsContact CB-OG1 3.28Å; N306-T309 WeakPolarHBondContact CB-OG1 3.25Å; N306-T309 PolarHBondContact ND2-OG1 2.97Å; N306-T309 PolarHBondContact OD1-N 3.37Å; N306-T309 PolarHBondContact OD1-OG1 2.98Å; N306-G310 PolarHBondContact O-N 2.63Å; N306-L311 HydrophobicContact CB-CB 4.23Å; N306-L311 PolarHBondContact N-O 3.27Å
307N92.3Very high91.9Very high93 Ų9357.6 Ų57.650%0.49731%0.309SS..THydrogen-bonded Turntrans-75-15.8-171.566-28000114.9R288 Y289R288-N307 CarbonylContact C-O 3.56Å; R288-N307 WeakPolarHBondContact CA-O 3.41Å; Y289-N307 PolarHBondContact N-O 3.03Å; Y289-N307 WeakPolarHBondContact O-CA 3.2Å
308T89.9Confident92.2Very high84 Ų8453.4 Ų53.452%0.51528%0.281SS..THydrogen-bonded Turntrans-113.2-31.9177.257.90000113Y289 N306Y289-T308 WeakPolarHBondContact CE2-O 3.21Å; N306-T308 VanDerWaalsContact C-N 3.35Å; N306-T308 PolarHBondContact O-N 3.29Å; N306-T308 PolarHBondContact OD1-N 3.19Å; N306-T308 PolarHBondContact OD1-OG1 3.09Å
309T90.2Very high92.4Very high55 Ų5554 Ų5434%0.33728%0.276SS..THydrogen-bonded Turntrans-93.9-10.5-176.571.80000114.5Q273 N306 L311Q273-T309 VanDerWaalsContact CG-O 3.29Å; Q273-T309 WeakPolarHBondContact CG-O 3.5Å; Q273-T309 PolarHBondContact NE2-O 3.05Å; N306-T309 VanDerWaalsContact CB-OG1 3.28Å; N306-T309 WeakPolarHBondContact CB-OG1 3.25Å; N306-T309 PolarHBondContact ND2-OG1 2.97Å; N306-T309 PolarHBondContact OD1-N 3.37Å; N306-T309 PolarHBondContact OD1-OG1 2.98Å; T309-L311 PolarHBondContact O-N 3.11Å; T309-L311 WeakPolarHBondContact OG1-CB 3Å; T309-L311 PolarHBondContact OG1-N 3.13Å
310G90.9Very high92.5Very high0 Ų054.7 Ų54.70%028%0.277CS..  trans69.58.2-176.400000114.5L274 N306L274-G310 PolarHBondContact N-O 2.91Å; N306-G310 PolarHBondContact O-N 2.63Å
311L93.8Very high92.6Very high40 Ų4053.9 Ų53.921%0.20927%0.274CS..EExtended strand (participates in β ladder)trans-75.4122.8-179.4-174.970.5000111.6Q273 L305 N306 T309 T313Q273-L311 HydrophobicContact CB-CD1 3.84Å; Q273-L311 HydrophobicContact CG-CB 4.3Å; Q273-L311 HydrophobicContact CG-CD1 4.32Å; L305-L311 WeakPolarHBondContact CA-O 3.09Å; N306-L311 HydrophobicContact CB-CB 4.23Å; N306-L311 PolarHBondContact N-O 3.27Å; T309-L311 PolarHBondContact O-N 3.11Å; T309-L311 WeakPolarHBondContact OG1-CB 3Å; T309-L311 PolarHBondContact OG1-N 3.13Å; L311-T313 HydrophobicContact CD2-CG2 3.76Å; L311-T313 HydrophobicContact CG-CG2 3.91Å
312I94.5Very high92.6Very high0 Ų052.7 Ų52.70%028%0.275CS..EExtended strand (participates in β ladder)trans-92.2128.4167.7-57.6178.8000108.5V271 I272 L274 F303 A304 L305 V328 V330 V344V271-I312 HydrophobicContact CB-CB 4.38Å; V271-I312 HydrophobicContact CB-CG2 4.16Å; V271-I312 HydrophobicContact CG2-CG2 4.18Å; V271-I312 PolarHBondContact N-O 2.91Å; I272-I312 HydrophobicContact CG2-CB 4.18Å; I272-I312 HydrophobicContact CG2-CD1 3.94Å; I272-I312 HydrophobicContact CG2-CG1 4.31Å; I272-I312 PolarHBondContact O-N 2.83Å; L274-I312 HydrophobicContact CD1-CD1 4.35Å; F303-I312 HydrophobicContact CB-CG2 4.02Å; F303-I312 HydrophobicContact CD1-CG2 4.17Å; F303-I312 HydrophobicContact CG-CG2 4.38Å; A304-I312 WeakPolarHBondContact O-CA 3.45Å; L305-I312 HydrophobicContact CD1-CG1 3.95Å; I312-V328 HydrophobicContact CD1-CG1 4.26Å; I312-V330 HydrophobicContact CD1-CG2 4.04Å; I312-V344 HydrophobicContact CD1-CG2 4.14Å
313T94.5Very high92.4Very high32 Ų3254.3 Ų54.320%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-127.2151.5178.753.30000111.5T269 F303 A304 L311 Q315T269-T313 CarbonylContact O-C 3.55Å; T269-T313 VanDerWaalsContact O-CA 3.28Å; T269-T313 WeakPolarHBondContact O-CA 2.99Å; F303-T313 CarbonylContact C-O 3.53Å; F303-T313 VanDerWaalsContact CA-O 3.31Å; F303-T313 WeakPolarHBondContact CA-O 3.44Å; A304-T313 PolarHBondContact N-O 2.74Å; A304-T313 PolarHBondContact O-N 2.68Å; A304-T313 PolarHBondContact O-OG1 2.9Å; L311-T313 HydrophobicContact CD2-CG2 3.76Å; L311-T313 HydrophobicContact CG-CG2 3.91Å; T313-Q315 PolarHBondContact O-N 2.75Å
314V95.2Very high92.2Very high1 Ų156 Ų561%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-69.9117.7171179.10000109.2I261 G268 T269 V271 F303 R316 L318I261-V314 HydrophobicContact CD1-CG2 3.52Å; G268-V314 PolarHBondContact N-O 3.2Å; T269-V314 PolarHBondContact O-N 3.07Å; V271-V314 HydrophobicContact CG2-CG2 3.83Å; F303-V314 HydrophobicContact CE1-CG2 4.34Å; V314-R316 WeakPolarHBondContact CG1-O 3.31Å; V314-L318 HydrophobicContact CG1-CG 4.3Å; V314-L318 HydrophobicContact CG2-CD1 4.37Å
315Q92.4Very high92.1Very high100 Ų10059.6 Ų59.647%0.46732%0.315SS..  trans-98.5-23.7-179.2-170.5175.616.300113.1V267 L302 A304 T313V267-Q315 WeakPolarHBondContact CG1-O 3.36Å; L302-Q315 PolarHBondContact O-N 3.12Å; A304-Q315 HydrophobicContact CB-CB 4.02Å; A304-Q315 HydrophobicContact CB-CG 4.29Å; T313-Q315 PolarHBondContact O-N 2.75Å
316R92.5Very high92Very high152 Ų15258.5 Ų58.557%0.57431%0.309SS*.SBendtrans-139.4159.6174.9-67.9-179178.9-101.1-9.9108.8R301 L302 V314 L318R301-R316 WeakPolarHBondContact O-CD 2.93Å; R301-R316 WeakPolarHBondContact O-CG 3.4Å; L302-R316 HydrophobicContact CD2-CB 4.12Å; L302-R316 PolarHBondContact O-N 2.71Å; V314-R316 WeakPolarHBondContact CG1-O 3.31Å; R316-L318 PolarHBondContact O-N 2.71Å
317S91.1Very high91.9Very high93 Ų9362.6 Ų62.665%0.6532%0.324SS*.  trans-47.9139.2167.547.80000110.5
318L92.9Very high92Very high13 Ų1358.2 Ų58.27%0.06830%0.3CS..  trans-90158.7171.5-55.2178.7000108.7I261 E263 L302 F303 V314 R316 V348I261-L318 HydrophobicContact CD1-CD1 4.46Å; I261-L318 HydrophobicContact CG2-CD1 3.88Å; E263-L318 HydrophobicContact CB-CB 4.19Å; L302-L318 HydrophobicContact CB-CD2 4.12Å; L302-L318 HydrophobicContact CD1-CD2 4.49Å; F303-L318 HydrophobicContact CE1-CD1 4.25Å; F303-L318 HydrophobicContact CE1-CD2 3.96Å; F303-L318 HydrophobicContact CE2-CD2 4.16Å; F303-L318 HydrophobicContact CZ-CD1 4.14Å; F303-L318 HydrophobicContact CZ-CD2 3.53Å; V314-L318 HydrophobicContact CG1-CG 4.3Å; V314-L318 HydrophobicContact CG2-CD1 4.37Å; R316-L318 PolarHBondContact O-N 2.71Å; L318-V348 HydrophobicContact CB-CG1 4.37Å; L318-V348 HydrophobicContact CD1-CG2 4.37Å
319D92Very high92.1Very high73 Ų7354.6 Ų54.639%0.3928%0.278SS..  trans-146.7110.3-178.4176.9-39.9000105.2E321 E322 T323D319-E321 PolarHBondContact OD1-N 3.42Å; D319-E322 HydrophobicContact CB-CB 4.28Å; D319-E322 WeakPolarHBondContact OD1-CB 3.38Å; D319-E322 PolarHBondContact OD1-N 3.31Å; D319-T323 PolarHBondContact O-N 2.9Å; D319-T323 VanDerWaalsContact O-N 3.11Å
320R93.1Very high92.3Very high31 Ų3152 Ų5212%0.11726%0.262CS..Hα-helixtrans-79.7-30.7-173.6-176.1-14871.3102.51111.3E263 E322 T323 A324 V348 D350 K391 T393E263-R320 WeakPolarHBondContact OE2-CB 3.29Å; E263-R320 PolarHBondContact OE2-N 2.8Å; R320-E322 VanDerWaalsContact C-N 3.31Å; R320-E322 PolarHBondContact O-N 3.5Å; R320-T323 CarbonylContact O-C 3.51Å; R320-T323 PolarHBondContact O-N 3.32Å; R320-A324 HydrophobicContact CG-CB 3.67Å; R320-A324 PolarHBondContact O-N 2.71Å; R320-V348 HydrophobicContact CB-CB 4.33Å; R320-V348 HydrophobicContact CB-CG1 3.91Å; R320-V348 HydrophobicContact CG-CB 4.27Å; R320-V348 HydrophobicContact CG-CG1 4.29Å; R320-D350 IonicContact CZ-OD1 2.72Å; R320-D350 IonicContact NE-OD1 2.76Å; R320-D350 PolarHBondContact NE-OD1 2.67Å; R320-D350 VanDerWaalsContact NE-OD1 3.15Å; R320-D350 IonicContact NH1-OD1 4Å; R320-D350 PolarHBondContact NH1-OD1 2.73Å; R320-D350 IonicContact NH2-OD1 3.96Å; R320-D350 PolarHBondContact NH2-OD1 2.81Å; R320-K391 PolarHBondContact NH2-O 2.96Å; R320-K391 VanDerWaalsContact NH2-O 3.12Å; R320-T393 VanDerWaalsContact NH1-CG2 3.26Å; R320-T393 PolarHBondContact NH1-OG1 3.37Å
321E90.8Very high92.4Very high55 Ų5553.6 Ų53.626%0.25727%0.271SS..Hα-helixtrans-64-35.6175.5-68.958.7-121.500111.2D319 K391D319-E321 PolarHBondContact OD1-N 3.42Å; E321-K391 HydrophobicContact CG-CB 3.74Å; E321-K391 HydrophobicContact CG-CD 3.99Å
322E89.2Confident92.3Very high143 Ų14351.7 Ų51.767%0.66826%0.261SS*.Hα-helixtrans-71.2-55.5167.2-170.8-178.9-158.900110.4D319 R320D319-E322 HydrophobicContact CB-CB 4.28Å; D319-E322 WeakPolarHBondContact OD1-CB 3.38Å; D319-E322 PolarHBondContact OD1-N 3.31Å; R320-E322 VanDerWaalsContact C-N 3.31Å; R320-E322 PolarHBondContact O-N 3.5Å
323T88.4Confident92.2Very high56 Ų5653.1 Ų53.134%0.34427%0.271SS..Hα-helixtrans-152.682.5-174.238.20000116.2D319 R320 I325 H326D319-T323 PolarHBondContact O-N 2.9Å; D319-T323 VanDerWaalsContact O-N 3.11Å; R320-T323 CarbonylContact O-C 3.51Å; R320-T323 PolarHBondContact O-N 3.32Å; T323-I325 PolarHBondContact O-N 2.77Å; T323-H326 PolarHBondContact O-CE1 3.39Å; T323-H326 PolarHBondContact OG1-CE1 3.16Å
324A90.4Very high91.9Very high37 Ų3752.5 Ų52.531%0.30627%0.266SS..SBendtrans-53.8-20.8176.400000117.7R320 V348R320-A324 HydrophobicContact CG-CB 3.67Å; R320-A324 PolarHBondContact O-N 2.71Å; A324-V348 PolarHBondContact O-N 2.56Å
325I92.6Very high91.2Very high103 Ų10355.4 Ų55.453%0.52830%0.296SS..EExtended strand (participates in β ladder)trans-137.2122.3-178.1-55.6178.7000111.4T323 K327 T345 I346T323-I325 PolarHBondContact O-N 2.77Å; I325-K327 HydrophobicContact CG2-CG 4.49Å; I325-T345 HydrophobicContact CG2-CG2 3.69Å; I325-I346 WeakPolarHBondContact CA-O 3.49Å
326H92.1Very high90.4Very high5 Ų551.8 Ų51.82%0.02328%0.282CS..EExtended strand (participates in β ladder)trans-113.5121.3174.6-51.3-69.9000111.9T299 L302 F303 T323 I346T299-H326 HydrophobicContact CG2-CB 3.92Å; L302-H326 WeakPolarHBondContact CD1-CE1 3.15Å; F303-H326 HydrophobicContact CE2-CB 4.09Å; F303-H326 AromaticContact CE2-CD2 3.32Å; F303-H326 WeakPolarHBondContact CE2-CD2 3.47Å; F303-H326 AromaticContact CE2-CG 3.76Å; F303-H326 AromaticContact CE2-NE2 3.73Å; F303-H326 AromaticContact CZ-CD2 3.5Å; F303-H326 VanDerWaalsContact CZ-CD2 3.5Å; F303-H326 WeakPolarHBondContact CZ-CD2 3.12Å; F303-H326 AromaticContact CZ-NE2 3.94Å; T323-H326 PolarHBondContact O-CE1 3.39Å; T323-H326 PolarHBondContact OG1-CE1 3.16Å; H326-I346 HydrophobicContact CB-CB 4.34Å; H326-I346 PolarHBondContact N-O 3.18Å; H326-I346 PolarHBondContact O-N 3.17Å
327K91.8Very high89.5Confident149 Ų14950 Ų5065%0.64829%0.293SS*.EExtended strand (participates in β ladder)trans-98.397.5175.9-71.7-177.2176.5-179.90110.9I325 T345I325-K327 HydrophobicContact CG2-CG 4.49Å; K327-T345 HydrophobicContact CG-CG2 4.21Å
328V93Very high89.1Confident0 Ų048.2 Ų48.20%028%0.278CS..EExtended strand (participates in β ladder)trans-90.1129.6177.11800000108.9F291 T299 I312 V330 T343 V344 I346F291-V328 HydrophobicContact CD1-CG1 3.67Å; F291-V328 HydrophobicContact CE1-CG1 3.55Å; T299-V328 HydrophobicContact CG2-CG2 3.78Å; I312-V328 HydrophobicContact CD1-CG1 4.26Å; V328-V330 HydrophobicContact CG1-CG2 4.05Å; V328-T343 CarbonylContact O-C 3.53Å; V328-T343 WeakPolarHBondContact O-CA 3.21Å; V328-V344 HydrophobicContact CB-CB 4.47Å; V328-V344 PolarHBondContact N-O 2.76Å; V328-V344 PolarHBondContact O-N 2.76Å; V328-I346 HydrophobicContact CG2-CD1 3.85Å
329T93.6Very high88.9Confident8 Ų850.2 Ų50.25%0.04929%0.292CS..EExtended strand (participates in β ladder)trans-105.1129.2162.3-49.50000109G292 Q294 V295 L331 R341 A342 T343G292-T329 PolarHBondContact N-O 3.46Å; Q294-T329 PolarHBondContact NE2-OG1 3.06Å; V295-T329 WeakPolarHBondContact CG2-O 3.03Å; T329-L331 HydrophobicContact CG2-CD2 4.37Å; T329-R341 HydrophobicContact CG2-CG 3.53Å; T329-A342 WeakPolarHBondContact CA-O 3.3Å; T329-A342 WeakPolarHBondContact CG2-O 3.36Å; T329-T343 HydrophobicContact CG2-CG2 4.11Å
330V93.9Very high88.9Confident0 Ų047.4 Ų47.40%028%0.279CS..EExtended strand (participates in β ladder)trans-105.7139.1168.6-179.80000108.8F252 L274 Y289 I290 F291 L305 I312 V328 A342F252-V330 HydrophobicContact CZ-CG1 4.29Å; L274-V330 HydrophobicContact CD1-CB 3.6Å; L274-V330 HydrophobicContact CD1-CG1 4.02Å; L274-V330 HydrophobicContact CD1-CG2 3.58Å; Y289-V330 HydrophobicContact CD1-CG1 4.1Å; I290-V330 WeakPolarHBondContact O-CA 3.28Å; F291-V330 HydrophobicContact CD1-CG2 4.34Å; L305-V330 HydrophobicContact CD1-CG1 4.39Å; L305-V330 HydrophobicContact CD1-CG2 4.38Å; L305-V330 HydrophobicContact CD2-CG1 3.78Å; L305-V330 HydrophobicContact CD2-CG2 4.02Å; I312-V330 HydrophobicContact CD1-CG2 4.04Å; V328-V330 HydrophobicContact CG1-CG2 4.05Å; V330-A342 PolarHBondContact N-O 2.67Å; V330-A342 PolarHBondContact O-N 2.79Å
331L92.8Very high88.8Confident35 Ų3553 Ų5318%0.18330%0.3CS..EExtended strand (participates in β ladder)trans-107.1141.6169.6-54.6177.4000108.8Y289 I290 T329 P339 A340 R341Y289-L331 WeakPolarHBondContact CA-O 3.37Å; I290-L331 HydrophobicContact CG1-CB 3.93Å; I290-L331 PolarHBondContact N-O 2.76Å; I290-L331 PolarHBondContact O-N 3.24Å; T329-L331 HydrophobicContact CG2-CD2 4.37Å; L331-P339 HydrophobicContact CB-CB 4.41Å; L331-A340 WeakPolarHBondContact CA-O 3.3Å; L331-R341 HydrophobicContact CD2-CB 3.92Å; L331-R341 HydrophobicContact CD2-CG 4.02Å
332A92.6Very high88.9Confident0 Ų050.4 Ų50.40%029%0.288CS..EExtended strand (participates in β ladder)trans-114.4127.2172.600000109P250 F252 A276 I287 R288 Y289 P339 A340P250-A332 HydrophobicContact CB-CB 3.92Å; P250-A332 HydrophobicContact CG-CB 4.47Å; F252-A332 HydrophobicContact CE1-CB 4.28Å; F252-A332 HydrophobicContact CE2-CB 3.69Å; F252-A332 HydrophobicContact CZ-CB 3.51Å; A276-A332 HydrophobicContact CB-CB 3.98Å; I287-A332 HydrophobicContact CG2-CB 3.67Å; R288-A332 WeakPolarHBondContact O-CA 3.01Å; Y289-A332 HydrophobicContact CD1-CB 4.03Å; Y289-A332 HydrophobicContact CE1-CB 3.92Å; A332-P339 CarbonylContact O-C 3.54Å; A332-P339 VanDerWaalsContact O-CA 3.24Å; A332-P339 WeakPolarHBondContact O-CA 3.07Å; A332-P339 WeakPolarHBondContact O-CB 3.05Å; A332-A340 HydrophobicContact CB-CB 4.09Å; A332-A340 PolarHBondContact N-O 2.69Å; A332-A340 PolarHBondContact O-N 2.78Å
333S91.3Very high89.1Confident30 Ų3044.9 Ų44.921%0.2126%0.264CS..EExtended strand (participates in β ladder)trans-139.2113.7-175.3-148.80000110.4R288R288-S333 WeakPolarHBondContact CB-O 3.33Å; R288-S333 PolarHBondContact N-O 2.78Å; R288-S333 PolarHBondContact O-N 2.77Å
334D88.6Confident89.4Confident18 Ų1842.2 Ų42.210%0.09625%0.248CC..SBendtrans-52.9-50.1155.247.7-6000113.4N246 P250 N284 S336N246-D334 PolarHBondContact ND2-OD2 3.16Å; N246-D334 PolarHBondContact OD1-OD2 3.21Å; P250-D334 HydrophobicContact CG-CB 4.14Å; N284-D334 VanDerWaalsContact O-CB 3.24Å; N284-D334 WeakPolarHBondContact O-CB 3.16Å; D334-S336 VanDerWaalsContact CG-N 3.34Å; D334-S336 VanDerWaalsContact CG-OG 3.31Å; D334-S336 WeakPolarHBondContact OD1-CB 3.19Å; D334-S336 PolarHBondContact OD1-N 3.42Å; D334-S336 PolarHBondContact OD1-OG 2.87Å; D334-S336 WeakPolarHBondContact OD2-CB 3.24Å; D334-S336 PolarHBondContact OD2-OG 2.97Å
335G81.2Confident89.6Confident62 Ų6241.1 Ų41.164%0.63924%0.237SC*.SBendtrans144-13.5-163.600000113
336S73.5Confident89.7Confident24 Ų2436.2 Ų36.217%0.16821%0.212CC..SBendtrans-62.7167.317571.80000113.2N246 D334 T338N246-S336 PolarHBondContact OD1-N 3.07Å; D334-S336 VanDerWaalsContact CG-N 3.34Å; D334-S336 VanDerWaalsContact CG-OG 3.31Å; D334-S336 WeakPolarHBondContact OD1-CB 3.19Å; D334-S336 PolarHBondContact OD1-N 3.42Å; D334-S336 PolarHBondContact OD1-OG 2.87Å; D334-S336 WeakPolarHBondContact OD2-CB 3.24Å; D334-S336 PolarHBondContact OD2-OG 2.97Å; S336-T338 PolarHBondContact O-N 2.67Å
337S75.1Confident89.8Confident116 Ų11637.4 Ų37.481%0.81122%0.219SC*.SBendtrans-70-10178.665.70000115.1
338T82.5Confident89.9Confident54 Ų5430.8 Ų30.833%0.33119%0.191SC..SBendtrans-139.179.7-168.951.20000113.1R249 S336R249-T338 PolarHBondContact NH1-OG1 3.45Å; R249-T338 PolarHBondContact NH2-OG1 3.24Å; S336-T338 PolarHBondContact O-N 2.67Å
339P89Confident89.8Confident56 Ų5633.3 Ų33.336%0.36421%0.206SC..  trans-63.4146.5-179.325.9-35.4000112.9L331 A332L331-P339 HydrophobicContact CB-CB 4.41Å; A332-P339 CarbonylContact O-C 3.54Å; A332-P339 VanDerWaalsContact O-CA 3.24Å; A332-P339 WeakPolarHBondContact O-CA 3.07Å; A332-P339 WeakPolarHBondContact O-CB 3.05Å
340A90.8Very high89.7Confident14 Ų1434.8 Ų34.812%0.11621%0.214CC..EExtended strand (participates in β ladder)trans-66.8159.2173.500000111.3P250 F252 L331 A332P250-A340 HydrophobicContact CB-CB 4.13Å; P250-A340 WeakPolarHBondContact O-CB 3.42Å; F252-A340 HydrophobicContact CD2-CB 3.76Å; F252-A340 HydrophobicContact CE2-CB 3.83Å; L331-A340 WeakPolarHBondContact CA-O 3.3Å; A332-A340 HydrophobicContact CB-CB 4.09Å; A332-A340 PolarHBondContact N-O 2.69Å; A332-A340 PolarHBondContact O-N 2.78Å
341R91.8Very high89.6Confident147 Ų14736.4 Ų36.456%0.55522%0.224SC*.EExtended strand (participates in β ladder)trans-135.7128.5-179.4178.8177.6172.9150.82.7112T329 L331T329-R341 HydrophobicContact CG2-CG 3.53Å; L331-R341 HydrophobicContact CD2-CB 3.92Å; L331-R341 HydrophobicContact CD2-CG 4.02Å
342A93.2Very high89.6Confident1 Ų135.8 Ų35.81%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-125.8144.6166.500000111.1F252 G255 T329 V330F252-A342 HydrophobicContact CB-CB 4.31Å; F252-A342 HydrophobicContact CD1-CB 4Å; F252-A342 HydrophobicContact CD2-CB 3.64Å; F252-A342 HydrophobicContact CE1-CB 4.15Å; F252-A342 HydrophobicContact CE2-CB 3.8Å; F252-A342 HydrophobicContact CG-CB 3.74Å; F252-A342 HydrophobicContact CZ-CB 4.05Å; G255-A342 WeakPolarHBondContact O-CA 3.18Å; T329-A342 WeakPolarHBondContact CA-O 3.3Å; T329-A342 WeakPolarHBondContact CG2-O 3.36Å; V330-A342 PolarHBondContact N-O 2.67Å; V330-A342 PolarHBondContact O-N 2.79Å
343T93.9Very high89.5Confident28 Ų2840.4 Ų40.417%0.17225%0.245CC..EExtended strand (participates in β ladder)trans-113117.2175.559.10000111.5G255 Q256 V257 V328 T329G255-T343 PolarHBondContact O-N 2.71Å; Q256-T343 VanDerWaalsContact CA-O 3.31Å; Q256-T343 WeakPolarHBondContact CA-O 3.05Å; Q256-T343 WeakPolarHBondContact CG-OG1 3.08Å; Q256-T343 PolarHBondContact NE2-OG1 3.39Å; Q256-T343 VanDerWaalsContact NE2-OG1 3.07Å; V257-T343 PolarHBondContact N-O 3.45Å; V328-T343 CarbonylContact O-C 3.53Å; V328-T343 WeakPolarHBondContact O-CA 3.21Å; T329-T343 HydrophobicContact CG2-CG2 4.11Å
344V94.1Very high89.5Confident0 Ų040 Ų400%024%0.241CC..EExtended strand (participates in β ladder)trans-96.3120.1172.3-174.50000108.8V257 V259 I272 L274 I312 V328 I346V257-V344 CarbonylContact O-C 3.54Å; V257-V344 VanDerWaalsContact O-CA 3.31Å; V257-V344 WeakPolarHBondContact O-CA 3.41Å; V259-V344 HydrophobicContact CG2-CG1 4.01Å; I272-V344 HydrophobicContact CG2-CG1 4.09Å; I272-V344 HydrophobicContact CG2-CG2 4.35Å; L274-V344 HydrophobicContact CD1-CG2 3.95Å; L274-V344 HydrophobicContact CD2-CG2 3.87Å; L274-V344 HydrophobicContact CG-CG2 4.31Å; I312-V344 HydrophobicContact CD1-CG2 4.14Å; V328-V344 HydrophobicContact CB-CB 4.47Å; V328-V344 PolarHBondContact N-O 2.76Å; V328-V344 PolarHBondContact O-N 2.76Å; V344-I346 HydrophobicContact CG1-CG1 3.82Å
345T94.7Very high89.7Confident14 Ų1442.5 Ų42.59%0.08626%0.258CS..EExtended strand (participates in β ladder)trans-89.7113.5164-51.90000107.5V257 E258 V259 I325 K327 N347V257-T345 PolarHBondContact O-N 3.4Å; E258-T345 WeakPolarHBondContact CA-O 3.49Å; E258-T345 PolarHBondContact OE1-OG1 2.96Å; V259-T345 PolarHBondContact N-O 3.32Å; I325-T345 HydrophobicContact CG2-CG2 3.69Å; K327-T345 HydrophobicContact CG-CG2 4.21Å; T345-N347 WeakPolarHBondContact CG2-OD1 3.24Å
346I94.3Very high90.3Very high0 Ų039.6 Ų39.60%023%0.228CC..EExtended strand (participates in β ladder)trans-97109.8173.2-52.2171.9000106.8I261 V271 F303 I325 H326 V328 V344I261-I346 HydrophobicContact CG2-CG2 3.6Å; V271-I346 HydrophobicContact CG1-CD1 4.11Å; V271-I346 HydrophobicContact CG1-CG1 4.21Å; V271-I346 HydrophobicContact CG1-CG2 4.21Å; F303-I346 HydrophobicContact CD1-CD1 3.91Å; F303-I346 HydrophobicContact CD2-CD1 4.2Å; F303-I346 HydrophobicContact CE1-CD1 3.72Å; F303-I346 HydrophobicContact CE1-CG2 4.31Å; F303-I346 HydrophobicContact CE2-CD1 4.04Å; F303-I346 HydrophobicContact CG-CD1 4.14Å; F303-I346 HydrophobicContact CZ-CD1 3.8Å; F303-I346 HydrophobicContact CZ-CG2 4.1Å; I325-I346 WeakPolarHBondContact CA-O 3.49Å; H326-I346 HydrophobicContact CB-CB 4.34Å; H326-I346 PolarHBondContact N-O 3.18Å; H326-I346 PolarHBondContact O-N 3.17Å; V328-I346 HydrophobicContact CG2-CD1 3.85Å; V344-I346 HydrophobicContact CG1-CG1 3.82Å
347N93.7Very high91.2Very high29 Ų2942.8 Ų42.816%0.15524%0.243CC..EExtended strand (participates in β ladder)trans-90.6119.4172-65.9-18.7000107.9V259 H260 I261 T345V259-N347 PolarHBondContact O-N 2.88Å; H260-N347 WeakPolarHBondContact CA-O 3.42Å; H260-N347 PolarHBondContact NE2-ND2 3.43Å; I261-N347 PolarHBondContact N-O 3.06Å; I261-N347 VanDerWaalsContact N-O 3.07Å; T345-N347 WeakPolarHBondContact CG2-OD1 3.24Å
348V93.7Very high92.1Very high10 Ų1038.2 Ų38.26%0.06121%0.209CC..EExtended strand (participates in β ladder)trans-82.5125.3173.9-170.40000107.9I261 E263 L318 R320 A324I261-V348 CarbonylContact O-C 3.59Å; I261-V348 VanDerWaalsContact O-CA 3.31Å; I261-V348 WeakPolarHBondContact O-CA 3.19Å; E263-V348 HydrophobicContact CB-CG1 3.61Å; L318-V348 HydrophobicContact CB-CG1 4.37Å; L318-V348 HydrophobicContact CD1-CG2 4.37Å; R320-V348 HydrophobicContact CB-CB 4.33Å; R320-V348 HydrophobicContact CB-CG1 3.91Å; R320-V348 HydrophobicContact CG-CB 4.27Å; R320-V348 HydrophobicContact CG-CG1 4.29Å; A324-V348 PolarHBondContact O-N 2.56Å
349T91.7Very high92.6Very high53 Ų5338.3 Ų38.333%0.32521%0.208SC..EExtended strand (participates in β ladder)trans-98.9131.3-17860.20000111.5H260 I261 P262 E263H260-T349 HydrophobicContact CB-CG2 3.94Å; I261-T349 PolarHBondContact O-N 2.81Å; I261-T349 PolarHBondContact O-OG1 2.72Å; P262-T349 WeakPolarHBondContact CA-O 3.46Å; P262-T349 VanDerWaalsContact CA-OG1 3.27Å; P262-T349 WeakPolarHBondContact CA-OG1 3.18Å; E263-T349 PolarHBondContact N-O 2.7Å
350D92.2Very high92.7Very high40 Ų4037.6 Ų37.621%0.21420%0.201CC..PPolyproline II helixtrans-50.4126.8-178.3-161.4109.9000114.2E263 R320 T393 N396E263-D350 VanDerWaalsContact OE1-CA 3.3Å; E263-D350 WeakPolarHBondContact OE1-CA 3.38Å; R320-D350 IonicContact CZ-OD1 2.72Å; R320-D350 IonicContact NE-OD1 2.76Å; R320-D350 PolarHBondContact NE-OD1 2.67Å; R320-D350 VanDerWaalsContact NE-OD1 3.15Å; R320-D350 IonicContact NH1-OD1 4Å; R320-D350 PolarHBondContact NH1-OD1 2.73Å; R320-D350 IonicContact NH2-OD1 3.96Å; R320-D350 PolarHBondContact NH2-OD1 2.81Å; D350-T393 WeakPolarHBondContact OD1-CA 3.47Å; D350-T393 WeakPolarHBondContact OD1-CB 3.3Å; D350-T393 PolarHBondContact OD1-N 2.87Å; D350-T393 PolarHBondContact OD1-OG1 3.08Å; D350-N396 WeakPolarHBondContact OD2-CB 3.49Å; D350-N396 PolarHBondContact OD2-ND2 3.02Å
351V91.3Very high92.7Very high34 Ų3443.5 Ų43.521%0.20622%0.22CC..  trans-124.7131.2171.6178.70000108.5P262 E263 N264 D353P262-V351 HydrophobicContact CB-CG2 3.74Å; E263-V351 HydrophobicContact CG-CB 4.05Å; E263-V351 HydrophobicContact CG-CG2 4.16Å; E263-V351 PolarHBondContact OE1-N 2.74Å; N264-V351 HydrophobicContact CB-CG1 4.34Å; N264-V351 HydrophobicContact CB-CG2 4.44Å; V351-D353 PolarHBondContact O-N 3.14Å
352N92.4Very high92.6Very high22 Ų2239.6 Ų39.612%0.11821%0.206CC..SBendtrans-65.792.9-176.2-158.9113.5000112.2D392 N396 D443 G445 L449N352-D392 WeakPolarHBondContact CA-OD2 3.11Å; N352-N396 HydrophobicContact CB-CB 3.97Å; N352-N396 PolarHBondContact N-ND2 2.94Å; N352-N396 WeakPolarHBondContact OD1-CA 3.36Å; N352-N396 WeakPolarHBondContact OD1-CB 3.36Å; N352-N396 PolarHBondContact OD1-OD1 3.47Å; N352-D443 PolarHBondContact ND2-OD2 3.1Å; N352-D443 PolarHBondContact OD1-OD2 3.14Å; N352-G445 WeakPolarHBondContact OD1-CA 3.4Å; N352-L449 WeakPolarHBondContact ND2-CD1 3.31Å; N352-L449 WeakPolarHBondContact ND2-CG 3.25Å
353D91.1Very high92.3Very high96 Ų9644 Ų4451%0.51323%0.228SC..  trans-131.2-20.3-170.1116.2-30.3000114.1V351 D392V351-D353 PolarHBondContact O-N 3.14Å; D353-D392 PolarHBondContact N-OD2 2.85Å
354N90.9Very high92.1Very high22 Ų2245.2 Ų45.212%0.11823%0.233CC..SBendtrans-91.3126.6169.3-64-91.3000110.3K391 D392N354-K391 HydrophobicContact CB-CB 4.21Å; N354-K391 HydrophobicContact CB-CG 4.46Å; N354-K391 WeakPolarHBondContact OD1-CD 3.05Å; N354-K391 WeakPolarHBondContact OD1-CE 3.38Å; N354-K391 PolarHBondContact OD1-NZ 2.84Å; N354-D392 VanDerWaalsContact CB-OD1 3.26Å; N354-D392 WeakPolarHBondContact CB-OD1 3.11Å; N354-D392 PolarHBondContact N-OD1 2.85Å; N354-D392 PolarHBondContact N-OD2 3.31Å; N354-D392 PolarHBondContact ND2-OD1 3.47Å
355P92.3Very high91.7Very high70 Ų7050.1 Ų50.146%0.45527%0.267SS..PPolyproline II helixtrans-77.4147.3170.130.9-33.6000111N357 L449P355-N357 PolarHBondContact O-N 3.01Å; P355-L449 HydrophobicContact CB-CB 4.09Å; P355-L449 HydrophobicContact CB-CD1 4.38Å
356P94.7Very high91.4Very high1 Ų151.4 Ų51.41%0.00628%0.276CS..PPolyproline II helixtrans-63130.1-177.323-34.6000112.3D390 V399 A441 Q451P356-D390 VanDerWaalsContact CA-OD2 3.27Å; P356-D390 WeakPolarHBondContact CA-OD2 3.44Å; P356-D390 WeakPolarHBondContact CB-OD2 3.14Å; P356-V399 HydrophobicContact CB-CB 4.47Å; P356-V399 HydrophobicContact CB-CG1 3.81Å; P356-V399 HydrophobicContact CB-CG2 3.74Å; P356-V399 HydrophobicContact CG-CG1 4.35Å; P356-A441 HydrophobicContact CB-CB 4.15Å; P356-A441 HydrophobicContact CG-CB 4.1Å; P356-Q451 WeakPolarHBondContact O-CB 3.29Å; P356-Q451 WeakPolarHBondContact O-CG 3.28Å
357N92.9Very high91.1Very high92 Ų9256.5 Ų56.549%0.49230%0.302SS..EExtended strand (participates in β ladder)trans-82.4146.6177.3-170.119.4000111.6P355 V388 S389P355-N357 PolarHBondContact O-N 3.01Å; N357-V388 VanDerWaalsContact O-CA 3.27Å; N357-V388 WeakPolarHBondContact O-CA 3.45Å; N357-S389 WeakPolarHBondContact CB-O 3.12Å; N357-S389 PolarHBondContact N-O 3.09Å; N357-S389 PolarHBondContact O-N 3.25Å
358I93.7Very high90.8Very high19 Ų1962.9 Ų62.910%0.09734%0.336CS..EExtended strand (participates in β ladder)trans-122.9107.8175.8-54.5168.6000109.2L360 I386 V388 A441 Q451 A453I358-L360 HydrophobicContact CG2-CD2 3.81Å; I358-L360 HydrophobicContact CG2-CG 4.22Å; I358-I386 HydrophobicContact CG2-CG2 3.85Å; I358-V388 HydrophobicContact CG1-CG1 4.31Å; I358-A441 HydrophobicContact CD1-CB 3.65Å; I358-A441 HydrophobicContact CG1-CB 3.58Å; I358-Q451 HydrophobicContact CD1-CB 4.38Å; I358-Q451 HydrophobicContact CD1-CG 4.22Å; I358-Q451 WeakPolarHBondContact CD1-O 3.45Å; I358-Q451 HydrophobicContact CG1-CG 4.38Å; I358-A453 HydrophobicContact CB-CB 4.36Å; I358-A453 HydrophobicContact CD1-CB 4.14Å; I358-A453 HydrophobicContact CG2-CB 4.08Å
359D92.4Very high90.4Very high57 Ų5764.6 Ų64.631%0.30536%0.356SS..EExtended strand (participates in β ladder)trans-93.2119.6170.81788.1000110R361 I386 T387D359-R361 IonicContact OD1-NE 3.1Å; D359-R361 IonicContact OD2-CZ 2.71Å; D359-R361 IonicContact OD2-NE 2.69Å; D359-R361 PolarHBondContact OD2-NE 3.44Å; D359-R361 IonicContact OD2-NH2 3.08Å; D359-R361 PolarHBondContact OD2-NH2 2.73Å; D359-I386 WeakPolarHBondContact O-CA 3.42Å; D359-T387 PolarHBondContact N-O 2.89Å; D359-T387 PolarHBondContact O-N 2.83Å
360L91.3Very high90.4Very high41 Ų4162.7 Ų62.722%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-104.6105-178.7-67.1-170.9000111.3I358 Y362 I386 I439 A453 V455I358-L360 HydrophobicContact CG2-CD2 3.81Å; I358-L360 HydrophobicContact CG2-CG 4.22Å; L360-Y362 HydrophobicContact CB-CE2 4.2Å; L360-I386 HydrophobicContact CD2-CB 4.33Å; L360-I386 HydrophobicContact CD2-CG1 3.61Å; L360-I386 HydrophobicContact CD2-CG2 4.15Å; L360-I439 HydrophobicContact CD2-CD1 3.92Å; L360-A453 HydrophobicContact CD1-CB 3.72Å; L360-A453 HydrophobicContact CG-CB 4.16Å; L360-V455 HydrophobicContact CD1-CG2 4.31Å
361R90.2Very high90.5Very high138 Ų13860.8 Ų60.852%0.52133%0.334SS..EExtended strand (participates in β ladder)trans-105.392.6179.5-57.7-174.9-172.4173.57.2110.4D359 I363 A384 L385D359-R361 IonicContact OD1-NE 3.1Å; D359-R361 IonicContact OD2-CZ 2.71Å; D359-R361 IonicContact OD2-NE 2.69Å; D359-R361 PolarHBondContact OD2-NE 3.44Å; D359-R361 IonicContact OD2-NH2 3.08Å; D359-R361 PolarHBondContact OD2-NH2 2.73Å; R361-I363 PolarHBondContact O-N 2.67Å; R361-A384 WeakPolarHBondContact O-CA 3.27Å; R361-L385 HydrophobicContact CB-CB 4.47Å; R361-L385 PolarHBondContact N-O 2.77Å; R361-L385 PolarHBondContact O-N 3.45Å
362Y89.9Confident90.6Very high65 Ų6563.3 Ų63.326%0.25534%0.34SS..EExtended strand (participates in β ladder)trans-59.8132.2178.2-68.8-86.5000112.1L360 P366 V371 A384L360-Y362 HydrophobicContact CB-CE2 4.2Å; Y362-P366 HydrophobicContact CD1-CG 4.14Å; Y362-P366 HydrophobicContact CD2-CG 3.87Å; Y362-P366 HydrophobicContact CE1-CG 4.39Å; Y362-P366 HydrophobicContact CE2-CG 4.13Å; Y362-P366 HydrophobicContact CG-CG 3.88Å; Y362-V371 HydrophobicContact CD1-CG2 3.61Å; Y362-V371 HydrophobicContact CE1-CG2 3.53Å; Y362-A384 HydrophobicContact CD1-CB 4.16Å
363I88Confident90.6Very high93 Ų9362.3 Ų62.348%0.47734%0.335SS..SBendtrans-87.8-39.7170.9-60.1167.3000108.7R361 K382 I383 L420R361-I363 PolarHBondContact O-N 2.67Å; I363-K382 HydrophobicContact CD1-CB 3.92Å; I363-I383 PolarHBondContact N-O 3.47Å; I363-L420 HydrophobicContact CD1-CD1 3.74Å
364I87.6Confident90.7Very high53 Ų5358.7 Ų58.727%0.27232%0.317SS..SBendtrans-98.5106.2171.6-57.9172.1000107.4P366 V371 L373 T381 I383I364-P366 WeakPolarHBondContact O-CD 3.21Å; I364-V371 HydrophobicContact CB-CG1 4.16Å; I364-V371 HydrophobicContact CG2-CG1 3.88Å; I364-L373 HydrophobicContact CD1-CD2 3.48Å; I364-L373 VanDerWaalsContact CD1-CD2 3.48Å; I364-T381 HydrophobicContact CD1-CG2 4.13Å; I364-I383 PolarHBondContact N-O 2.95Å
365S85.7Confident90.8Very high103 Ų10358.3 Ų58.372%0.7232%0.315SS*.PPolyproline II helixtrans-59.4119.7-172.8-63.50000112.6
366P89.4Confident90.5Very high42 Ų4259.6 Ų59.627%0.27331%0.313SS..PPolyproline II helixtrans-76.8137.3-176.529.8-35000112.3Y362 I364 T370 V371Y362-P366 HydrophobicContact CD1-CG 4.14Å; Y362-P366 HydrophobicContact CD2-CG 3.87Å; Y362-P366 HydrophobicContact CE1-CG 4.39Å; Y362-P366 HydrophobicContact CE2-CG 4.13Å; Y362-P366 HydrophobicContact CG-CG 3.88Å; I364-P366 WeakPolarHBondContact O-CD 3.21Å; P366-T370 CarbonylContact C-O 3.49Å; P366-T370 VanDerWaalsContact CA-O 3.25Å; P366-T370 WeakPolarHBondContact CA-O 3.24Å; P366-T370 WeakPolarHBondContact CB-O 3.09Å; P366-V371 HydrophobicContact CB-CG2 4.1Å
367I87.2Confident90.4Very high106 Ų10661.8 Ų61.854%0.54433%0.325SS..BIsolated β-bridgetrans-89.6120.4172.5-56.4172.4000107.6G369 T370 Y372I367-G369 PolarHBondContact O-N 2.58Å; I367-G369 VanDerWaalsContact O-N 3.16Å; I367-T370 PolarHBondContact N-O 2.85Å; I367-T370 PolarHBondContact O-N 3.28Å; I367-Y372 HydrophobicContact CB-CD2 4.34Å; I367-Y372 HydrophobicContact CB-CE2 4Å; I367-Y372 HydrophobicContact CD1-CD2 4.3Å
368N87.2Confident90.3Very high164 Ų16461.3 Ų61.388%0.87733%0.327SS*.THydrogen-bonded Turntrans50.536.8-175.8-60.7-24.2000113.7T370N368-T370 VanDerWaalsContact C-N 3.32Å; N368-T370 PolarHBondContact O-N 3.35Å
369G86.4Confident90.1Very high46 Ų4663 Ų6347%0.47434%0.338SS..THydrogen-bonded Turntrans76.412.5-178.800000115.2I367I367-G369 PolarHBondContact O-N 2.58Å; I367-G369 VanDerWaalsContact O-N 3.16Å
370T92.1Very high89.9Confident13 Ų1363.6 Ų63.68%0.0834%0.341CS..BIsolated β-bridgetrans-116.9127.7174.7-51.80000109.6P366 I367 N368 Y372 R456 K458P366-T370 CarbonylContact C-O 3.49Å; P366-T370 VanDerWaalsContact CA-O 3.25Å; P366-T370 WeakPolarHBondContact CA-O 3.24Å; P366-T370 WeakPolarHBondContact CB-O 3.09Å; I367-T370 PolarHBondContact N-O 2.85Å; I367-T370 PolarHBondContact O-N 3.28Å; N368-T370 VanDerWaalsContact C-N 3.32Å; N368-T370 PolarHBondContact O-N 3.35Å; T370-Y372 HydrophobicContact CG2-CE2 3.97Å; T370-Y372 WeakPolarHBondContact O-CD2 3.34Å; T370-R456 HydrophobicContact CG2-CB 4.16Å; T370-K458 HydrophobicContact CG2-CB 4.15Å; T370-K458 HydrophobicContact CG2-CD 4.08Å; T370-K458 HydrophobicContact CG2-CG 3.75Å
371V93.6Very high90Very high0 Ų062.5 Ų62.50%034%0.336CS..EExtended strand (participates in β ladder)trans-79.5141.1169.9-179.40000108.5Y362 I364 P366 L373 I383 R456 V457 K458Y362-V371 HydrophobicContact CD1-CG2 3.61Å; Y362-V371 HydrophobicContact CE1-CG2 3.53Å; I364-V371 HydrophobicContact CB-CG1 4.16Å; I364-V371 HydrophobicContact CG2-CG1 3.88Å; P366-V371 HydrophobicContact CB-CG2 4.1Å; V371-L373 HydrophobicContact CG1-CD2 3.96Å; V371-L373 HydrophobicContact CG1-CG 4.18Å; V371-I383 HydrophobicContact CG1-CG2 4.2Å; V371-I383 HydrophobicContact CG2-CG2 4.11Å; V371-R456 PolarHBondContact N-O 2.86Å; V371-V457 HydrophobicContact CB-CG2 4.48Å; V371-V457 CarbonylContact O-C 3.6Å; V371-V457 WeakPolarHBondContact O-CA 3.44Å; V371-K458 PolarHBondContact O-N 3.05Å
372Y92.6Very high90.1Very high86 Ų8660.5 Ų60.534%0.33733%0.331SS..EExtended strand (participates in β ladder)trans-111.4134.4171.2-68.3-102000108I367 T370 K458 E460I367-Y372 HydrophobicContact CB-CD2 4.34Å; I367-Y372 HydrophobicContact CB-CE2 4Å; I367-Y372 HydrophobicContact CD1-CD2 4.3Å; T370-Y372 HydrophobicContact CG2-CE2 3.97Å; T370-Y372 WeakPolarHBondContact O-CD2 3.34Å; Y372-K458 WeakPolarHBondContact CA-O 3.49Å; Y372-K458 HydrophobicContact CD1-CB 3.86Å; Y372-K458 HydrophobicContact CE1-CB 3.77Å; Y372-K458 HydrophobicContact CE1-CD 4.02Å; Y372-K458 HydrophobicContact CE1-CG 4.42Å; Y372-E460 HydrophobicContact CD1-CG 4.17Å
373L93.3Very high90.2Very high2 Ų257.4 Ų57.41%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-131.1145.4177.9-61.1-179.8000109.3I364 V371 T381 I383 F409 T423 L427 V457 K458 L459 E460I364-L373 HydrophobicContact CD1-CD2 3.48Å; I364-L373 VanDerWaalsContact CD1-CD2 3.48Å; V371-L373 HydrophobicContact CG1-CD2 3.96Å; V371-L373 HydrophobicContact CG1-CG 4.18Å; L373-T381 HydrophobicContact CD2-CG2 4.34Å; L373-I383 HydrophobicContact CD1-CD1 3.89Å; L373-I383 HydrophobicContact CD1-CG1 4.24Å; L373-I383 HydrophobicContact CD2-CG1 4.46Å; L373-F409 HydrophobicContact CD1-CE1 4.08Å; L373-T423 HydrophobicContact CD1-CG2 4.43Å; L373-L427 HydrophobicContact CB-CD1 4.2Å; L373-L427 HydrophobicContact CD1-CD1 3.79Å; L373-V457 HydrophobicContact CB-CG1 4.46Å; L373-V457 HydrophobicContact CD1-CG1 3.59Å; L373-V457 HydrophobicContact CG-CG1 3.83Å; L373-K458 PolarHBondContact N-O 2.85Å; L373-L459 HydrophobicContact CB-CD2 4.21Å; L373-L459 CarbonylContact O-C 3.58Å; L373-L459 WeakPolarHBondContact O-CA 3.44Å; L373-E460 PolarHBondContact O-N 3.47Å
374S92.3Very high90.4Very high19 Ų1953 Ų5313%0.13330%0.297CS..EExtended strand (participates in β ladder)trans-78.3141.5167.6167.70000108.2K376 D377 E462S374-K376 PolarHBondContact O-N 2.83Å; S374-K376 PolarHBondContact OG-N 2.83Å; S374-D377 PolarHBondContact N-OD2 3.13Å; S374-D377 WeakPolarHBondContact O-CB 3.28Å; S374-D377 PolarHBondContact O-N 3.26Å; S374-E462 WeakPolarHBondContact OG-CG 3.16Å; S374-E462 PolarHBondContact OG-OE1 2.78Å
375E92.9Very high90.7Very high15 Ų1553 Ų537%0.0730%0.297CS..THydrogen-bonded Turntrans-67.2-22.1173.571-159.2116.900112.9D377 L427 Y429 E462E375-D377 PolarHBondContact O-N 2.96Å; E375-L427 HydrophobicContact CB-CB 4.28Å; E375-Y429 VanDerWaalsContact OE1-CB 3.27Å; E375-Y429 WeakPolarHBondContact OE1-CB 3.09Å; E375-Y429 WeakPolarHBondContact OE2-CA 3.14Å; E375-Y429 WeakPolarHBondContact OE2-CB 3.5Å; E375-Y429 PolarHBondContact OE2-N 3.29Å; E375-E462 HydrophobicContact CG-CB 3.89Å; E375-E462 WeakPolarHBondContact OE1-CB 3.47Å; E375-E462 PolarHBondContact OE1-N 3.02Å
376K87.8Confident91Very high97 Ų9748 Ų4842%0.42226%0.262SS..THydrogen-bonded Turntrans-75.1-0.7170.5-62.9176.7-172.5145.80112.9S374 E462 N463S374-K376 PolarHBondContact O-N 2.83Å; S374-K376 PolarHBondContact OG-N 2.83Å; K376-E462 HydrophobicContact CD-CB 4.08Å; K376-E462 HydrophobicContact CD-CG 4.45Å; K376-E462 WeakPolarHBondContact CD-OE2 3.26Å; K376-E462 WeakPolarHBondContact CE-O 3.31Å; K376-E462 HydrophobicContact CG-CB 4.2Å; K376-E462 PolarHBondContact NZ-O 3.15Å; K376-E462 IonicContact NZ-OE2 3.83Å; K376-E462 PolarHBondContact NZ-OE2 3.33Å; K376-N463 PolarHBondContact NZ-O 2.88Å
377D91Very high91.2Very high46 Ų4647.1 Ų47.125%0.24626%0.256CS..SBendtrans-62.9133.9170.7-83-44.5000110.9S374 E375 T381S374-D377 PolarHBondContact N-OD2 3.13Å; S374-D377 WeakPolarHBondContact O-CB 3.28Å; S374-D377 PolarHBondContact O-N 3.26Å; E375-D377 PolarHBondContact O-N 2.96Å; D377-T381 HydrophobicContact CB-CG2 4.21Å
378P91.4Very high91.5Very high83 Ų8342.4 Ų42.454%0.53923%0.232SC..PPolyproline II helixtrans-67.9157.7-17727.6-35.3000113T381 T423P378-T381 WeakPolarHBondContact CD-OG1 3.36Å; P378-T381 VanDerWaalsContact O-CB 3.31Å; P378-T381 WeakPolarHBondContact O-CB 3.2Å; P378-T381 PolarHBondContact O-N 3.12Å; P378-T381 VanDerWaalsContact O-N 3.16Å; P378-T381 PolarHBondContact O-OG1 3.31Å; P378-T423 PolarHBondContact O-OG1 2.93Å; P378-T423 VanDerWaalsContact O-OG1 3.1Å
379V88.9Confident91.7Very high53 Ų5337.5 Ų37.532%0.32121%0.211SC..THydrogen-bonded Turntrans-57.6140.9168-164.40000109.6T423 S424 L426V379-T423 WeakPolarHBondContact CA-OG1 3.47Å; V379-S424 WeakPolarHBondContact CG1-O 3.45Å; V379-L426 HydrophobicContact CG2-CD2 3.68Å; V379-L426 HydrophobicContact CG2-CG 3.96Å
380N89.9Confident92Very high70 Ų7036.9 Ų36.937%0.37420%0.196SC..THydrogen-bonded Turntrans71.722.2-171-39.4-99.1000114.9K382 E422 T423N380-K382 WeakPolarHBondContact O-CG 3.16Å; N380-K382 PolarHBondContact O-NZ 2.7Å; N380-E422 HydrophobicContact CB-CG 4.41Å; N380-E422 PolarHBondContact OD1-OE1 2.97Å; N380-T423 WeakPolarHBondContact CA-O 3.12Å; N380-T423 PolarHBondContact N-O 3.11Å; N380-T423 PolarHBondContact N-OG1 3.03Å
381T93.1Very high91.9Very high19 Ų1942.5 Ų42.512%0.11722%0.22CC..  trans-63.6136.1166.3-80.80000110.4I364 L373 D377 P378 E422 T423I364-T381 HydrophobicContact CD1-CG2 4.13Å; L373-T381 HydrophobicContact CD2-CG2 4.34Å; D377-T381 HydrophobicContact CB-CG2 4.21Å; P378-T381 WeakPolarHBondContact CD-OG1 3.36Å; P378-T381 VanDerWaalsContact O-CB 3.31Å; P378-T381 WeakPolarHBondContact O-CB 3.2Å; P378-T381 PolarHBondContact O-N 3.12Å; P378-T381 VanDerWaalsContact O-N 3.16Å; P378-T381 PolarHBondContact O-OG1 3.31Å; T381-E422 WeakPolarHBondContact O-CA 3.47Å; T381-E422 VanDerWaalsContact O-CB 3.23Å; T381-E422 WeakPolarHBondContact O-CB 3.46Å; T381-T423 PolarHBondContact N-OG1 3.05Å; T381-T423 PolarHBondContact O-N 2.9Å; T381-T423 VanDerWaalsContact O-N 3.14Å
382K92.4Very high91.9Very high95 Ų9543 Ų4341%0.41322%0.222SC..EExtended strand (participates in β ladder)trans-104.6106.7-158.7-57.3-170.3-171.9-32.90111.1I363 N380 L420 E422I363-K382 HydrophobicContact CD1-CB 3.92Å; N380-K382 WeakPolarHBondContact O-CG 3.16Å; N380-K382 PolarHBondContact O-NZ 2.7Å; K382-L420 HydrophobicContact CB-CD1 4.32Å; K382-L420 HydrophobicContact CD-CD2 3.98Å; K382-L420 HydrophobicContact CG-CD2 4.33Å; K382-E422 HydrophobicContact CG-CB 4.5Å; K382-E422 IonicContact NZ-OE2 3.58Å; K382-E422 PolarHBondContact NZ-OE2 3.01Å
383I91.5Very high91.6Very high0 Ų041.5 Ų41.50%022%0.223CC..EExtended strand (participates in β ladder)trans-91-51.2-167.3-60.8169.5000111I363 I364 V371 L373 F409 L421 T423I363-I383 PolarHBondContact N-O 3.47Å; I364-I383 PolarHBondContact N-O 2.95Å; V371-I383 HydrophobicContact CG1-CG2 4.2Å; V371-I383 HydrophobicContact CG2-CG2 4.11Å; L373-I383 HydrophobicContact CD1-CD1 3.89Å; L373-I383 HydrophobicContact CD1-CG1 4.24Å; L373-I383 HydrophobicContact CD2-CG1 4.46Å; I383-F409 HydrophobicContact CD1-CD1 3.43Å; I383-F409 VanDerWaalsContact CD1-CD1 3.43Å; I383-F409 HydrophobicContact CD1-CE1 3.57Å; I383-L421 HydrophobicContact CB-CD2 4.07Å; I383-L421 HydrophobicContact CB-CG 4.16Å; I383-L421 HydrophobicContact CD1-CG 4.37Å; I383-L421 HydrophobicContact CG2-CD2 3.9Å; I383-L421 PolarHBondContact N-O 2.71Å; I383-T423 HydrophobicContact CD1-CG2 4.38Å
384A92.3Very high91.3Very high1 Ų148.7 Ų48.71%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-154.2149.6-17600000112.1R361 Y362 L421R361-A384 WeakPolarHBondContact O-CA 3.27Å; Y362-A384 HydrophobicContact CD1-CB 4.16Å; A384-L421 HydrophobicContact CB-CB 4.4Å; A384-L421 HydrophobicContact CB-CD2 4.42Å; A384-L421 PolarHBondContact O-N 3.32Å
385L92.7Very high91.1Very high52 Ų5251.9 Ų51.927%0.27228%0.279SS..EExtended strand (participates in β ladder)trans-93128.1162.3-17967.8000108.7R361 T387R361-L385 HydrophobicContact CB-CB 4.47Å; R361-L385 PolarHBondContact N-O 2.77Å; R361-L385 PolarHBondContact O-N 3.45Å; L385-T387 HydrophobicContact CG-CG2 4.47Å
386I93.3Very high90.8Very high0 Ų052.6 Ų52.60%028%0.284CS..EExtended strand (participates in β ladder)trans-108.5128.5177.3-57.6144.8000107.4I358 D359 L360 V388 L411 Q418 Y419 L421 I439I358-I386 HydrophobicContact CG2-CG2 3.85Å; D359-I386 WeakPolarHBondContact O-CA 3.42Å; L360-I386 HydrophobicContact CD2-CB 4.33Å; L360-I386 HydrophobicContact CD2-CG1 3.61Å; L360-I386 HydrophobicContact CD2-CG2 4.15Å; I386-V388 HydrophobicContact CG2-CG1 4.25Å; I386-L411 HydrophobicContact CD1-CD2 3.32Å; I386-Q418 WeakPolarHBondContact O-CA 3.05Å; I386-Y419 WeakPolarHBondContact CB-O 3.09Å; I386-Y419 PolarHBondContact N-O 3.16Å; I386-Y419 PolarHBondContact O-N 2.68Å; I386-L421 HydrophobicContact CD1-CB 3.96Å; I386-I439 HydrophobicContact CD1-CD1 3.62Å; I386-I439 HydrophobicContact CG1-CD1 4.04Å
387T93Very high90.8Very high23 Ų2348.9 Ų48.914%0.14127%0.272CS..EExtended strand (participates in β ladder)trans-120.1122.2168.159.30000108.9D359 L385 Q418D359-T387 PolarHBondContact N-O 2.89Å; D359-T387 PolarHBondContact O-N 2.83Å; L385-T387 HydrophobicContact CG-CG2 4.47Å; T387-Q418 HydrophobicContact CG2-CB 4.31Å; T387-Q418 HydrophobicContact CG2-CG 3.82Å
388V93.1Very high90.7Very high7 Ų753 Ų534%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-95.9148.2173.7-580000109.9N357 I358 I386 V399 C401 N417 Y419 A441N357-V388 VanDerWaalsContact O-CA 3.27Å; N357-V388 WeakPolarHBondContact O-CA 3.45Å; I358-V388 HydrophobicContact CG1-CG1 4.31Å; I386-V388 HydrophobicContact CG2-CG1 4.25Å; V388-V399 HydrophobicContact CB-CG1 4.18Å; V388-V399 HydrophobicContact CG2-CB 4.08Å; V388-V399 HydrophobicContact CG2-CG1 3.94Å; V388-C401 HydrophobicContact CG1-CB 4.14Å; V388-N417 HydrophobicContact CG2-CB 3.76Å; V388-N417 PolarHBondContact N-O 3.34Å; V388-N417 WeakPolarHBondContact O-CB 3.42Å; V388-Y419 HydrophobicContact CG2-CE2 4.12Å; V388-A441 HydrophobicContact CG1-CB 4.14Å
389S91.1Very high90.7Very high61 Ų6149.3 Ų49.343%0.42726%0.264SS..EExtended strand (participates in β ladder)trans-154.1130.517862.40000110.6N357N357-S389 WeakPolarHBondContact CB-O 3.12Å; N357-S389 PolarHBondContact N-O 3.09Å; N357-S389 PolarHBondContact O-N 3.25Å
390D92.7Very high90.7Very high32 Ų3251.1 Ų51.117%0.17127%0.271CS..  trans-104167.5168.5-138.8-61.1000111P356 D392 V399P356-D390 VanDerWaalsContact CA-OD2 3.27Å; P356-D390 WeakPolarHBondContact CA-OD2 3.44Å; P356-D390 WeakPolarHBondContact CB-OD2 3.14Å; D390-D392 PolarHBondContact OD1-N 2.75Å; D390-V399 HydrophobicContact CB-CG2 3.9Å
391K90.6Very high90.8Very high132 Ų13248.6 Ų48.657%0.57426%0.259SS*.SBendtrans-105-29.1170.7-59.1-168.9-155.3146.90113R320 E321 N354R320-K391 PolarHBondContact NH2-O 2.96Å; R320-K391 VanDerWaalsContact NH2-O 3.12Å; E321-K391 HydrophobicContact CG-CB 3.74Å; E321-K391 HydrophobicContact CG-CD 3.99Å; N354-K391 HydrophobicContact CB-CB 4.21Å; N354-K391 HydrophobicContact CB-CG 4.46Å; N354-K391 WeakPolarHBondContact OD1-CD 3.05Å; N354-K391 WeakPolarHBondContact OD1-CE 3.38Å; N354-K391 PolarHBondContact OD1-NZ 2.84Å
392D93.3Very high90.8Very high9 Ų952.2 Ų52.25%0.04827%0.273CS..SBendtrans-65.4170.8-178.5-60.82.6000109.4N352 D353 N354 D390 N396 G397N352-D392 WeakPolarHBondContact CA-OD2 3.11Å; D353-D392 PolarHBondContact N-OD2 2.85Å; N354-D392 VanDerWaalsContact CB-OD1 3.26Å; N354-D392 WeakPolarHBondContact CB-OD1 3.11Å; N354-D392 PolarHBondContact N-OD1 2.85Å; N354-D392 PolarHBondContact N-OD2 3.31Å; N354-D392 PolarHBondContact ND2-OD1 3.47Å; D390-D392 PolarHBondContact OD1-N 2.75Å; D392-N396 HydrophobicContact CB-CB 3.71Å; D392-G397 WeakPolarHBondContact O-CA 3.28Å
393T87.8Confident90.8Very high56 Ų5649 Ų4934%0.34426%0.26SS..  trans-119.8171.3-175.651.70000115.5R320 D350 V395 N396 G397R320-T393 VanDerWaalsContact NH1-CG2 3.26Å; R320-T393 PolarHBondContact NH1-OG1 3.37Å; D350-T393 WeakPolarHBondContact OD1-CA 3.47Å; D350-T393 WeakPolarHBondContact OD1-CB 3.3Å; D350-T393 PolarHBondContact OD1-N 2.87Å; D350-T393 PolarHBondContact OD1-OG1 3.08Å; T393-V395 PolarHBondContact O-N 3.36Å; T393-N396 PolarHBondContact O-N 3.03Å; T393-G397 PolarHBondContact O-N 2.93Å
394D85.9Confident90.7Very high153 Ų15352.8 Ų52.882%0.81828%0.278SS*.THydrogen-bonded Turntrans50-93.9-178.3-69.5-22.7000115.1
395V88.6Confident90.4Very high85 Ų8560.1 Ų60.152%0.51531%0.305SS..THydrogen-bonded Turntrans-95.9-33.4-178.31800000111.1T393 K398 S444T393-V395 PolarHBondContact O-N 3.36Å; V395-K398 WeakPolarHBondContact O-CB 3.25Å; V395-K398 PolarHBondContact O-N 3.09Å; V395-S444 WeakPolarHBondContact CG1-O 3.17Å; V395-S444 WeakPolarHBondContact O-CB 3.13Å
396N87.5Confident90.1Very high31 Ų3167.3 Ų67.317%0.16634%0.337CS..THydrogen-bonded Turntrans-69-49.1179.7-63-11.8000108.9D350 N352 D392 T393 K398 D443D350-N396 WeakPolarHBondContact OD2-CB 3.49Å; D350-N396 PolarHBondContact OD2-ND2 3.02Å; N352-N396 HydrophobicContact CB-CB 3.97Å; N352-N396 PolarHBondContact N-ND2 2.94Å; N352-N396 WeakPolarHBondContact OD1-CA 3.36Å; N352-N396 WeakPolarHBondContact OD1-CB 3.36Å; N352-N396 PolarHBondContact OD1-OD1 3.47Å; D392-N396 HydrophobicContact CB-CB 3.71Å; T393-N396 PolarHBondContact O-N 3.03Å; N396-K398 PolarHBondContact O-N 3.21Å; N396-D443 WeakPolarHBondContact O-CB 3.43Å
397G87.5Confident90Very high18 Ų1869 Ų6919%0.18635%0.348CS..THydrogen-bonded Turntrans-66.36.1174.200000117.1D392 T393D392-G397 WeakPolarHBondContact O-CA 3.28Å; T393-G397 PolarHBondContact O-N 2.93Å
398K88.2Confident90Very high133 Ų13368.8 Ų68.858%0.57835%0.347SS*.  trans-101101.3-173.1-170.9174.7-178.5174.20112.8V395 N396 D443 S444V395-K398 WeakPolarHBondContact O-CB 3.25Å; V395-K398 PolarHBondContact O-N 3.09Å; N396-K398 PolarHBondContact O-N 3.21Å; K398-D443 CarbonylContact O-C 3.58Å; K398-S444 PolarHBondContact O-N 3.21Å; K398-S444 PolarHBondContact O-OG 2.94Å
399V90.8Very high90Very high6 Ų668.8 Ų68.84%0.03635%0.346CS..  trans-87.1143.8-175.3-165.60000113.1P356 V388 D390 A441 S442P356-V399 HydrophobicContact CB-CB 4.47Å; P356-V399 HydrophobicContact CB-CG1 3.81Å; P356-V399 HydrophobicContact CB-CG2 3.74Å; P356-V399 HydrophobicContact CG-CG1 4.35Å; V388-V399 HydrophobicContact CB-CG1 4.18Å; V388-V399 HydrophobicContact CG2-CB 4.08Å; V388-V399 HydrophobicContact CG2-CG1 3.94Å; D390-V399 HydrophobicContact CB-CG2 3.9Å; V399-A441 HydrophobicContact CG1-CB 3.82Å; V399-S442 CarbonylContact C-O 3.34Å; V399-S442 WeakPolarHBondContact CA-O 3.15Å
400I89.7Confident90.1Very high91 Ų9168.9 Ų68.947%0.46734%0.34SS..EExtended strand (participates in β ladder)trans-114.9139.6159.855.8168.1000109.8A441 S442I400-A441 WeakPolarHBondContact O-CA 3.42Å; I400-S442 WeakPolarHBondContact CG1-O 3.04Å; I400-S442 PolarHBondContact N-O 2.9Å; I400-S442 PolarHBondContact O-N 2.76Å
401C91.7Very high90.1Very high16 Ų1669 Ų6911%0.10834%0.34CS..EExtended strand (participates in β ladder)trans-125.4129.6-177.3-167.80000111.2V388 Y419 I439 V440V388-C401 HydrophobicContact CG1-CB 4.14Å; C401-Y419 HydrophobicContact CB-CD2 3.92Å; C401-Y419 HydrophobicContact CB-CE1 4.34Å; C401-Y419 HydrophobicContact CB-CE2 3.45Å; C401-Y419 VanDerWaalsContact CB-CE2 3.45Å; C401-I439 VanDerWaalsContact SG-CG2 3.52Å; C401-V440 WeakPolarHBondContact CA-O 3.45Å
402F92.5Very high90Very high96 Ų9667 Ų6742%0.42133%0.331SS..EExtended strand (participates in β ladder)trans-150.7175.5-177.362.5-83000111.8I439 V440F402-I439 WeakPolarHBondContact O-CA 3.3Å; F402-V440 HydrophobicContact CD1-CB 4.46Å; F402-V440 HydrophobicContact CD2-CB 4.4Å; F402-V440 HydrophobicContact CE1-CB 4.07Å; F402-V440 HydrophobicContact CE1-CG1 3.96Å; F402-V440 HydrophobicContact CE2-CB 4.01Å; F402-V440 HydrophobicContact CE2-CG1 4.35Å; F402-V440 HydrophobicContact CE2-CG2 4.27Å; F402-V440 HydrophobicContact CZ-CB 3.83Å; F402-V440 HydrophobicContact CZ-CG1 3.72Å; F402-V440 HydrophobicContact CZ-CG2 4.45Å; F402-V440 PolarHBondContact N-O 3.4Å; F402-V440 PolarHBondContact O-N 3.36Å
403I93.7Very high89.9Confident28 Ų2870 Ų7014%0.14436%0.357CS..EExtended strand (participates in β ladder)trans-104.2135.8175.1-62168000108.8R405 V407 L411 L421 F437 K438 I439I403-R405 WeakPolarHBondContact CG2-O 3.33Å; I403-R405 PolarHBondContact O-N 2.82Å; I403-V407 HydrophobicContact CD1-CG2 4.5Å; I403-V407 HydrophobicContact CG2-CG2 3.87Å; I403-L411 HydrophobicContact CD1-CD2 4.12Å; I403-L411 HydrophobicContact CD1-CG 3.98Å; I403-L411 HydrophobicContact CG1-CD1 4.16Å; I403-L411 HydrophobicContact CG1-CD2 4.27Å; I403-L411 HydrophobicContact CG1-CG 3.89Å; I403-L421 HydrophobicContact CD1-CD1 4.18Å; I403-F437 HydrophobicContact CD1-CD2 4.5Å; I403-F437 HydrophobicContact CD1-CE2 4.19Å; I403-F437 HydrophobicContact CG1-CD2 4.47Å; I403-F437 HydrophobicContact CG1-CE2 4.49Å; I403-F437 HydrophobicContact CG2-CB 4.26Å; I403-F437 HydrophobicContact CG2-CD2 3.68Å; I403-F437 HydrophobicContact CG2-CE2 4.41Å; I403-F437 HydrophobicContact CG2-CG 4.27Å; I403-K438 WeakPolarHBondContact CA-O 3.29Å; I403-I439 HydrophobicContact CG1-CG1 4.41Å
404E88.4Confident89.8Confident78 Ų7870.6 Ų70.636%0.36436%0.361SS..SBendtrans-61.7-23.7-174.8-173.5-170.3-112.700113.9K438 V440E404-K438 HydrophobicContact CB-CB 4.16Å; E404-K438 PolarHBondContact N-O 3.41Å; E404-K438 WeakPolarHBondContact OE1-CD 3.5Å; E404-K438 WeakPolarHBondContact OE1-CE 3.49Å; E404-K438 IonicContact OE1-NZ 3.88Å; E404-K438 PolarHBondContact OE1-NZ 2.96Å; E404-K438 IonicContact OE2-NZ 3.78Å; E404-V440 HydrophobicContact CB-CG2 4.06Å
405R86.5Confident89.8Confident156 Ų15671.3 Ų71.359%0.58935%0.353SS*.SBendtrans-137.5153.1-168.3-60-179.3-177.8-146.5-6.9111.4I403 V407I403-R405 WeakPolarHBondContact CG2-O 3.33Å; I403-R405 PolarHBondContact O-N 2.82Å; R405-V407 HydrophobicContact CB-CG1 4.17Å; R405-V407 PolarHBondContact O-N 2.83Å
406E86.1Confident89.5Confident202 Ų20274.5 Ų74.594%0.94437%0.367SS*.  trans-69.7117166.3-63.9-175.7173.900109.3
407V91.6Very high89.4Confident36 Ų3675.4 Ų75.422%0.21837%0.372CS..  trans-147.4160.6-176.1-67.90000109.5I403 R405 F409 F437I403-V407 HydrophobicContact CD1-CG2 4.5Å; I403-V407 HydrophobicContact CG2-CG2 3.87Å; R405-V407 HydrophobicContact CB-CG1 4.17Å; R405-V407 PolarHBondContact O-N 2.83Å; V407-F409 HydrophobicContact CB-CD2 4.04Å; V407-F409 HydrophobicContact CG2-CB 4.3Å; V407-F409 HydrophobicContact CG2-CD2 3.92Å; V407-F409 PolarHBondContact O-N 3.01Å; V407-F437 HydrophobicContact CG1-CB 4.21Å; V407-F437 HydrophobicContact CG2-CD1 4.34Å; V407-F437 HydrophobicContact CG2-CD2 4.49Å; V407-F437 HydrophobicContact CG2-CG 4.24Å
408P92.4Very high89.6Confident18 Ų1877.8 Ų77.812%0.11738%0.379CS..SBendtrans-73.631.4-179.131.5-37.8000114.7T423 S424 S425 L427 F435P408-T423 WeakPolarHBondContact O-CA 3.11Å; P408-S424 WeakPolarHBondContact CA-OG 3.42Å; P408-S424 PolarHBondContact O-N 2.99Å; P408-S424 PolarHBondContact O-OG 3.4Å; P408-S425 WeakPolarHBondContact CB-OG 3.32Å; P408-L427 HydrophobicContact CB-CD2 4.07Å; P408-L427 HydrophobicContact CG-CD2 3.84Å; P408-F435 VanDerWaalsContact CD-CE1 3.43Å; P408-F435 HydrophobicContact CG-CD1 4.15Å; P408-F435 HydrophobicContact CG-CE1 3.53Å; P408-F435 HydrophobicContact CG-CE2 4.13Å; P408-F435 HydrophobicContact CG-CZ 3.52Å
409F94Very high89.8Confident7 Ų773.3 Ų73.33%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-133148.5178.6-47.7-80.4000109.8L373 I383 V407 L421 T423 S424 L427 F435 F437 V457L373-F409 HydrophobicContact CD1-CE1 4.08Å; I383-F409 HydrophobicContact CD1-CD1 3.43Å; I383-F409 VanDerWaalsContact CD1-CD1 3.43Å; I383-F409 HydrophobicContact CD1-CE1 3.57Å; V407-F409 HydrophobicContact CB-CD2 4.04Å; V407-F409 HydrophobicContact CG2-CB 4.3Å; V407-F409 HydrophobicContact CG2-CD2 3.92Å; V407-F409 PolarHBondContact O-N 3.01Å; F409-L421 HydrophobicContact CB-CD1 3.97Å; F409-T423 HydrophobicContact CD1-CG2 3.95Å; F409-T423 HydrophobicContact CE1-CG2 3.89Å; F409-S424 PolarHBondContact N-OG 2.79Å; F409-L427 HydrophobicContact CE1-CD2 4.15Å; F409-L427 HydrophobicContact CZ-CD2 4Å; F409-F435 HydrophobicContact CE2-CB 3.83Å; F409-F435 HydrophobicContact CE2-CD1 4.13Å; F409-F435 AromaticContact CE2-CD2 3.9Å; F409-F435 HydrophobicContact CE2-CD2 3.9Å; F409-F435 AromaticContact CE2-CG 3.68Å; F409-F435 HydrophobicContact CE2-CG 3.68Å; F409-F435 HydrophobicContact CZ-CB 4.44Å; F409-F435 AromaticContact CZ-CD2 3.93Å; F409-F435 HydrophobicContact CZ-CD2 3.93Å; F409-F435 HydrophobicContact CZ-CE2 4.44Å; F409-F435 HydrophobicContact CZ-CG 4.19Å; F409-F437 HydrophobicContact CB-CZ 4.08Å; F409-F437 HydrophobicContact CD2-CD1 4.06Å; F409-F437 AromaticContact CD2-CE1 3.31Å; F409-F437 HydrophobicContact CD2-CE1 3.31Å; F409-F437 AromaticContact CD2-CZ 3.7Å; F409-F437 HydrophobicContact CD2-CZ 3.7Å; F409-F437 HydrophobicContact CE2-CD1 4.31Å; F409-F437 AromaticContact CE2-CE1 3.61Å; F409-F437 HydrophobicContact CE2-CE1 3.61Å; F409-F437 HydrophobicContact CE2-CZ 4.35Å; F409-F437 AromaticContact CG-CE1 3.98Å; F409-F437 HydrophobicContact CG-CE1 3.98Å; F409-F437 AromaticContact CG-CZ 3.9Å; F409-F437 HydrophobicContact CG-CZ 3.9Å; F409-F437 HydrophobicContact CZ-CE1 4.46Å; F409-V457 HydrophobicContact CE1-CG1 4.46Å; F409-V457 HydrophobicContact CE1-CG2 4.42Å; F409-V457 HydrophobicContact CZ-CB 4.18Å; F409-V457 HydrophobicContact CZ-CG1 4.08Å; F409-V457 HydrophobicContact CZ-CG2 4.1Å
410H92.1Very high89.9Confident64 Ų6474.1 Ų74.130%0.29636%0.362SS..EExtended strand (participates in β ladder)trans-137159175.674.8-62.3000113E422H410-E422 IonicContact CE1-OE1 3.67Å; H410-E422 PolarHBondContact N-O 2.81Å; H410-E422 PolarHBondContact ND1-O 2.9Å; H410-E422 PolarHBondContact O-N 2.72Å
411L92.3Very high90.1Very high33 Ų3369.8 Ų69.817%0.17334%0.34CS..EExtended strand (participates in β ladder)trans-98.5114.5173.9-59.2-170.6000109.8I386 I403 Y419 L421 I439I386-L411 HydrophobicContact CD1-CD2 3.32Å; I403-L411 HydrophobicContact CD1-CD2 4.12Å; I403-L411 HydrophobicContact CD1-CG 3.98Å; I403-L411 HydrophobicContact CG1-CD1 4.16Å; I403-L411 HydrophobicContact CG1-CD2 4.27Å; I403-L411 HydrophobicContact CG1-CG 3.89Å; L411-Y419 HydrophobicContact CB-CD1 4.14Å; L411-L421 HydrophobicContact CD2-CB 4.29Å; L411-L421 HydrophobicContact CD2-CD1 3.75Å; L411-I439 HydrophobicContact CD1-CG2 4.2Å
412K90.4Very high90.2Very high91 Ų9169 Ų6940%0.39634%0.335SS..EExtended strand (participates in β ladder)trans-103.3112178.3-177170.2-176.7163.80109.5V414 Y419 L420 E422K412-V414 WeakPolarHBondContact O-CG2 3.16Å; K412-V414 PolarHBondContact O-N 3.27Å; K412-Y419 CarbonylContact O-C 3.56Å; K412-Y419 WeakPolarHBondContact O-CA 3.45Å; K412-L420 HydrophobicContact CB-CB 4.46Å; K412-L420 PolarHBondContact N-O 2.93Å; K412-L420 PolarHBondContact O-N 3.01Å; K412-E422 HydrophobicContact CD-CG 4.48Å; K412-E422 WeakPolarHBondContact CD-OE1 3.04Å; K412-E422 WeakPolarHBondContact CE-OE1 3.41Å; K412-E422 IonicContact NZ-OE1 2.63Å; K412-E422 PolarHBondContact NZ-OE1 3.04Å
413A89.5Confident90.2Very high72 Ų7264.5 Ų64.560%0.59532%0.315SS*.EExtended strand (participates in β ladder)trans-59.4126.8174.200000110.1Y419A413-Y419 HydrophobicContact CB-CD1 4.18Å; A413-Y419 HydrophobicContact CB-CE1 4.13Å
414V87.4Confident90Very high69 Ų6965.9 Ų65.942%0.41833%0.327SS..EExtended strand (participates in β ladder)trans-107.7-45.6179.4-172.20000110.2K412 Q418 L420K412-V414 WeakPolarHBondContact O-CG2 3.16Å; K412-V414 PolarHBondContact O-N 3.27Å; V414-Q418 PolarHBondContact N-O 3.44Å; V414-L420 HydrophobicContact CG2-CB 3.65Å
415Y85.3Confident90Very high168 Ų16864.7 Ų64.766%0.65933%0.327SS*.EExtended strand (participates in β ladder)trans-140.3174174.3-67.3-66.2000109.1N417 Q418Y415-N417 PolarHBondContact O-N 3.35Å; Y415-Q418 PolarHBondContact N-O 3.2Å; Y415-Q418 PolarHBondContact O-N 2.82Å
416D81.7Confident90.2Very high151 Ų15163 Ų6381%0.80733%0.33SS*.THydrogen-bonded Turntrans-57128.6174.8-155.520.5000110.1Q418D416-Q418 PolarHBondContact O-N 2.81Å; D416-Q418 VanDerWaalsContact O-N 3.12Å
417N85.7Confident90.5Very high50 Ų5054 Ų5427%0.26729%0.288SS..THydrogen-bonded Turntrans53.719.1-171.1-66.3-15.2000117V388 Y415V388-N417 HydrophobicContact CG2-CB 3.76Å; V388-N417 PolarHBondContact N-O 3.34Å; V388-N417 WeakPolarHBondContact O-CB 3.42Å; Y415-N417 PolarHBondContact O-N 3.35Å
418Q91.5Very high90.5Very high69 Ų6957 Ų5732%0.32230%0.302SS..EExtended strand (participates in β ladder)trans-125.2125.9176.7-50.7-167.2200112.7I386 T387 V414 Y415 D416I386-Q418 WeakPolarHBondContact O-CA 3.05Å; T387-Q418 HydrophobicContact CG2-CB 4.31Å; T387-Q418 HydrophobicContact CG2-CG 3.82Å; V414-Q418 PolarHBondContact N-O 3.44Å; Y415-Q418 PolarHBondContact N-O 3.2Å; Y415-Q418 PolarHBondContact O-N 2.82Å; D416-Q418 PolarHBondContact O-N 2.81Å; D416-Q418 VanDerWaalsContact O-N 3.12Å
419Y92.9Very high90.5Very high38 Ų3858 Ų5815%0.14930%0.304CS..EExtended strand (participates in β ladder)trans-125.8135.6-174.7-56.9-95.7000111.1I386 V388 C401 L411 K412 A413I386-Y419 WeakPolarHBondContact CB-O 3.09Å; I386-Y419 PolarHBondContact N-O 3.16Å; I386-Y419 PolarHBondContact O-N 2.68Å; V388-Y419 HydrophobicContact CG2-CE2 4.12Å; C401-Y419 HydrophobicContact CB-CD2 3.92Å; C401-Y419 HydrophobicContact CB-CE1 4.34Å; C401-Y419 HydrophobicContact CB-CE2 3.45Å; C401-Y419 VanDerWaalsContact CB-CE2 3.45Å; L411-Y419 HydrophobicContact CB-CD1 4.14Å; K412-Y419 CarbonylContact O-C 3.56Å; K412-Y419 WeakPolarHBondContact O-CA 3.45Å; A413-Y419 HydrophobicContact CB-CD1 4.18Å; A413-Y419 HydrophobicContact CB-CE1 4.13Å
420L92.8Very high90.4Very high24 Ų2460 Ų6013%0.12631%0.314CS..EExtended strand (participates in β ladder)trans-93.7125.2170.2179.964.8000109.1I363 K382 K412 V414 E422I363-L420 HydrophobicContact CD1-CD1 3.74Å; K382-L420 HydrophobicContact CB-CD1 4.32Å; K382-L420 HydrophobicContact CD-CD2 3.98Å; K382-L420 HydrophobicContact CG-CD2 4.33Å; K412-L420 HydrophobicContact CB-CB 4.46Å; K412-L420 PolarHBondContact N-O 2.93Å; K412-L420 PolarHBondContact O-N 3.01Å; V414-L420 HydrophobicContact CG2-CB 3.65Å; L420-E422 WeakPolarHBondContact CD2-OE2 3.19Å; L420-E422 HydrophobicContact CG-CB 4.49Å
421L94Very high90.3Very high0 Ų059.4 Ų59.40%032%0.324CS..EExtended strand (participates in β ladder)trans-83.7111.4169.2-178.866.4000108.7I383 A384 I386 I403 F409 L411 F437 V455I383-L421 HydrophobicContact CB-CD2 4.07Å; I383-L421 HydrophobicContact CB-CG 4.16Å; I383-L421 HydrophobicContact CD1-CG 4.37Å; I383-L421 HydrophobicContact CG2-CD2 3.9Å; I383-L421 PolarHBondContact N-O 2.71Å; A384-L421 HydrophobicContact CB-CB 4.4Å; A384-L421 HydrophobicContact CB-CD2 4.42Å; A384-L421 PolarHBondContact O-N 3.32Å; I386-L421 HydrophobicContact CD1-CB 3.96Å; I403-L421 HydrophobicContact CD1-CD1 4.18Å; F409-L421 HydrophobicContact CB-CD1 3.97Å; L411-L421 HydrophobicContact CD2-CB 4.29Å; L411-L421 HydrophobicContact CD2-CD1 3.75Å; L421-F437 HydrophobicContact CD1-CE2 4.17Å; L421-F437 HydrophobicContact CD1-CZ 4.21Å; L421-F437 HydrophobicContact CD2-CZ 4.27Å; L421-V455 HydrophobicContact CD2-CG1 4.23Å; L421-V455 HydrophobicContact CD2-CG2 4.4Å
422E93.1Very high90.3Very high0 Ų060.8 Ų60.80%034%0.335CS..EExtended strand (participates in β ladder)trans-138.1152.2176.266-175.7-158.300112.9N380 T381 K382 H410 K412 L420 S424N380-E422 HydrophobicContact CB-CG 4.41Å; N380-E422 PolarHBondContact OD1-OE1 2.97Å; T381-E422 WeakPolarHBondContact O-CA 3.47Å; T381-E422 VanDerWaalsContact O-CB 3.23Å; T381-E422 WeakPolarHBondContact O-CB 3.46Å; K382-E422 HydrophobicContact CG-CB 4.5Å; K382-E422 IonicContact NZ-OE2 3.58Å; K382-E422 PolarHBondContact NZ-OE2 3.01Å; H410-E422 IonicContact CE1-OE1 3.67Å; H410-E422 PolarHBondContact N-O 2.81Å; H410-E422 PolarHBondContact ND1-O 2.9Å; H410-E422 PolarHBondContact O-N 2.72Å; K412-E422 HydrophobicContact CD-CG 4.48Å; K412-E422 WeakPolarHBondContact CD-OE1 3.04Å; K412-E422 WeakPolarHBondContact CE-OE1 3.41Å; K412-E422 IonicContact NZ-OE1 2.63Å; K412-E422 PolarHBondContact NZ-OE1 3.04Å; L420-E422 WeakPolarHBondContact CD2-OE2 3.19Å; L420-E422 HydrophobicContact CG-CB 4.49Å; E422-S424 PolarHBondContact O-N 2.81Å
423T93.1Very high90.3Very high1 Ų160 Ų601%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-58.7132.8-178.650.20000111L373 P378 V379 N380 T381 I383 P408 F409 L427L373-T423 HydrophobicContact CD1-CG2 4.43Å; P378-T423 PolarHBondContact O-OG1 2.93Å; P378-T423 VanDerWaalsContact O-OG1 3.1Å; V379-T423 WeakPolarHBondContact CA-OG1 3.47Å; N380-T423 WeakPolarHBondContact CA-O 3.12Å; N380-T423 PolarHBondContact N-O 3.11Å; N380-T423 PolarHBondContact N-OG1 3.03Å; T381-T423 PolarHBondContact N-OG1 3.05Å; T381-T423 PolarHBondContact O-N 2.9Å; T381-T423 VanDerWaalsContact O-N 3.14Å; I383-T423 HydrophobicContact CD1-CG2 4.38Å; P408-T423 WeakPolarHBondContact O-CA 3.11Å; F409-T423 HydrophobicContact CD1-CG2 3.95Å; F409-T423 HydrophobicContact CE1-CG2 3.89Å; T423-L427 HydrophobicContact CG2-CD1 3.94Å; T423-L427 HydrophobicContact CG2-CD2 4.48Å; T423-L427 HydrophobicContact CG2-CG 4.32Å
424S88.6Confident90.5Very high56 Ų5660.6 Ų60.639%0.39232%0.321SS..SBendtrans-98-26.3-177.360.80000113.3V379 P408 F409 E422V379-S424 WeakPolarHBondContact CG1-O 3.45Å; P408-S424 WeakPolarHBondContact CA-OG 3.42Å; P408-S424 PolarHBondContact O-N 2.99Å; P408-S424 PolarHBondContact O-OG 3.4Å; F409-S424 PolarHBondContact N-OG 2.79Å; E422-S424 PolarHBondContact O-N 2.81Å
425S89.3Confident90.7Very high53 Ų5358.6 Ų58.637%0.37131%0.307SS..SBendtrans-125.2-176170.364.30000110.6P408P408-S425 WeakPolarHBondContact CB-OG 3.32Å
426L89.9Confident91.1Very high121 Ų12153.5 Ų53.563%0.63430%0.296SS*.  trans-65.5160.5158.5-64.9170.8000109.7V379V379-L426 HydrophobicContact CG2-CD2 3.68Å; V379-L426 HydrophobicContact CG2-CG 3.96Å
427L92Very high91.7Very high14 Ų1446.4 Ų46.47%0.07326%0.258CS..  trans-103.3160.8173.2-63.2170.6000108.4L373 E375 P408 F409 T423 F435 L459L373-L427 HydrophobicContact CB-CD1 4.2Å; L373-L427 HydrophobicContact CD1-CD1 3.79Å; E375-L427 HydrophobicContact CB-CB 4.28Å; P408-L427 HydrophobicContact CB-CD2 4.07Å; P408-L427 HydrophobicContact CG-CD2 3.84Å; F409-L427 HydrophobicContact CE1-CD2 4.15Å; F409-L427 HydrophobicContact CZ-CD2 4Å; T423-L427 HydrophobicContact CG2-CD1 3.94Å; T423-L427 HydrophobicContact CG2-CD2 4.48Å; T423-L427 HydrophobicContact CG2-CG 4.32Å; L427-F435 HydrophobicContact CD2-CE2 4.29Å; L427-L459 HydrophobicContact CB-CD1 3.98Å; L427-L459 HydrophobicContact CB-CD2 4.15Å; L427-L459 HydrophobicContact CD1-CD2 3.77Å; L427-L459 HydrophobicContact CD2-CD2 4.29Å; L427-L459 HydrophobicContact CG-CD2 4.28Å
428D92Very high92.1Very high97 Ų9747.4 Ų47.452%0.51926%0.26SS..  trans-156.2103.9-166.4179.789.3000107.2G431 T432D428-G431 WeakPolarHBondContact OD2-CA 3.49Å; D428-G431 PolarHBondContact OD2-N 3.33Å; D428-T432 PolarHBondContact O-N 2.71Å; D428-T432 VanDerWaalsContact O-N 3.1Å
429Y93Very high92.2Very high41 Ų4144.1 Ų44.116%0.16125%0.245CC..THydrogen-bonded Turntrans-67.3-48.5-174.7-177.3-104.6000109.6E375 G431 T432 K433 L459 D461E375-Y429 VanDerWaalsContact OE1-CB 3.27Å; E375-Y429 WeakPolarHBondContact OE1-CB 3.09Å; E375-Y429 WeakPolarHBondContact OE2-CA 3.14Å; E375-Y429 WeakPolarHBondContact OE2-CB 3.5Å; E375-Y429 PolarHBondContact OE2-N 3.29Å; Y429-G431 VanDerWaalsContact C-N 3.31Å; Y429-G431 PolarHBondContact O-N 2.9Å; Y429-T432 CarbonylContact O-C 3.55Å; Y429-T432 PolarHBondContact O-N 3.04Å; Y429-K433 HydrophobicContact CD1-CD 3.89Å; Y429-K433 HydrophobicContact CD1-CG 4.13Å; Y429-K433 VanDerWaalsContact CD1-NZ 3.33Å; Y429-K433 HydrophobicContact CD2-CB 4.23Å; Y429-K433 HydrophobicContact CD2-CD 4.38Å; Y429-K433 HydrophobicContact CD2-CG 3.86Å; Y429-K433 HydrophobicContact CE1-CD 3.46Å; Y429-K433 VanDerWaalsContact CE1-CD 3.46Å; Y429-K433 HydrophobicContact CE1-CG 4.04Å; Y429-K433 HydrophobicContact CE2-CB 3.94Å; Y429-K433 HydrophobicContact CE2-CD 4.01Å; Y429-K433 HydrophobicContact CE2-CG 3.77Å; Y429-K433 HydrophobicContact CG-CD 4.28Å; Y429-K433 HydrophobicContact CG-CG 4Å; Y429-K433 WeakPolarHBondContact O-CE 3.41Å; Y429-K433 WeakPolarHBondContact O-CG 3.44Å; Y429-K433 PolarHBondContact O-N 2.82Å; Y429-L459 HydrophobicContact CD2-CB 3.65Å; Y429-L459 HydrophobicContact CE2-CB 4.45Å; Y429-L459 WeakPolarHBondContact CE2-O 3.22Å; Y429-D461 HydrophobicContact CD1-CB 3.92Å; Y429-D461 HydrophobicContact CD2-CB 4.41Å; Y429-D461 HydrophobicContact CE1-CB 3.54Å; Y429-D461 HydrophobicContact CE2-CB 4.09Å; Y429-D461 HydrophobicContact CG-CB 4.39Å
430E92.4Very high92.2Very high49 Ų4942.9 Ų42.923%0.22924%0.241CC..THydrogen-bonded Turntrans-52.1-45.7179.7-83.238.4-95.800112.5K433 E496E430-K433 WeakPolarHBondContact OE1-CE 3.32Å; E430-K433 IonicContact OE1-NZ 2.68Å; E430-K433 PolarHBondContact OE1-NZ 2.86Å; E430-E496 HydrophobicContact CG-CB 3.78Å; E430-E496 WeakPolarHBondContact CG-O 3.41Å
431G90.1Very high92.3Very high50 Ų5041.7 Ų41.752%0.51524%0.235SC..THydrogen-bonded Turntrans-75.4-40.4176.600000114.8D428 Y429D428-G431 WeakPolarHBondContact OD2-CA 3.49Å; D428-G431 PolarHBondContact OD2-N 3.33Å; Y429-G431 VanDerWaalsContact C-N 3.31Å; Y429-G431 PolarHBondContact O-N 2.9Å
432T90.8Very high92.2Very high63 Ų6342.5 Ų42.539%0.38724%0.24SC..  trans-154.198.4-179.9-61.50000114.8D428 Y429 E434 F435 L459D428-T432 PolarHBondContact O-N 2.71Å; D428-T432 VanDerWaalsContact O-N 3.1Å; Y429-T432 CarbonylContact O-C 3.55Å; Y429-T432 PolarHBondContact O-N 3.04Å; T432-E434 PolarHBondContact O-N 3.36Å; T432-F435 HydrophobicContact CG2-CD1 3.83Å; T432-F435 HydrophobicContact CG2-CD2 4.35Å; T432-F435 HydrophobicContact CG2-CE1 3.43Å; T432-F435 VanDerWaalsContact CG2-CE1 3.43Å; T432-F435 HydrophobicContact CG2-CE2 4Å; T432-F435 HydrophobicContact CG2-CG 4.26Å; T432-F435 HydrophobicContact CG2-CZ 3.53Å; T432-F435 WeakPolarHBondContact O-CE2 3.48Å; T432-L459 WeakPolarHBondContact O-CD1 3.32Å
433K91.1Very high92.2Very high73 Ų7342.7 Ų42.732%0.31724%0.241SC..SBendtrans-73-19.3-175.6-57.1-175.3175.3-160.20115.3Y429 E430 L459 S498Y429-K433 HydrophobicContact CD1-CD 3.89Å; Y429-K433 HydrophobicContact CD1-CG 4.13Å; Y429-K433 VanDerWaalsContact CD1-NZ 3.33Å; Y429-K433 HydrophobicContact CD2-CB 4.23Å; Y429-K433 HydrophobicContact CD2-CD 4.38Å; Y429-K433 HydrophobicContact CD2-CG 3.86Å; Y429-K433 HydrophobicContact CE1-CD 3.46Å; Y429-K433 VanDerWaalsContact CE1-CD 3.46Å; Y429-K433 HydrophobicContact CE1-CG 4.04Å; Y429-K433 HydrophobicContact CE2-CB 3.94Å; Y429-K433 HydrophobicContact CE2-CD 4.01Å; Y429-K433 HydrophobicContact CE2-CG 3.77Å; Y429-K433 HydrophobicContact CG-CD 4.28Å; Y429-K433 HydrophobicContact CG-CG 4Å; Y429-K433 WeakPolarHBondContact O-CE 3.41Å; Y429-K433 WeakPolarHBondContact O-CG 3.44Å; Y429-K433 PolarHBondContact O-N 2.82Å; E430-K433 WeakPolarHBondContact OE1-CE 3.32Å; E430-K433 IonicContact OE1-NZ 2.68Å; E430-K433 PolarHBondContact OE1-NZ 2.86Å; K433-L459 PolarHBondContact O-N 3.35Å; K433-L459 VanDerWaalsContact O-N 3.17Å; K433-S498 PolarHBondContact NZ-OG 3.07Å
434E93Very high92Very high85 Ų8544.8 Ų44.840%0.39726%0.256SS..EExtended strand (participates in β ladder)trans-146.9128176.9179.3168.6-166.400112.2T432 V457 K458T432-E434 PolarHBondContact O-N 3.36Å; E434-V457 CarbonylContact C-O 3.37Å; E434-V457 WeakPolarHBondContact CA-O 3.48Å; E434-K458 HydrophobicContact CB-CG 4.2Å; E434-K458 HydrophobicContact CG-CG 4.02Å; E434-K458 WeakPolarHBondContact OE1-CE 3.34Å; E434-K458 IonicContact OE1-NZ 3.17Å; E434-K458 WeakPolarHBondContact OE2-CE 3.38Å; E434-K458 IonicContact OE2-NZ 2.7Å; E434-K458 PolarHBondContact OE2-NZ 3.17Å
435F92.9Very high92Very high27 Ų2742.5 Ų42.512%0.11824%0.241CC..EExtended strand (participates in β ladder)trans-106.7131.3172-59.9-87.3000110.9P408 F409 L427 T432 F437 R456 V457 L459P408-F435 VanDerWaalsContact CD-CE1 3.43Å; P408-F435 HydrophobicContact CG-CD1 4.15Å; P408-F435 HydrophobicContact CG-CE1 3.53Å; P408-F435 HydrophobicContact CG-CE2 4.13Å; P408-F435 HydrophobicContact CG-CZ 3.52Å; F409-F435 HydrophobicContact CE2-CB 3.83Å; F409-F435 HydrophobicContact CE2-CD1 4.13Å; F409-F435 AromaticContact CE2-CD2 3.9Å; F409-F435 HydrophobicContact CE2-CD2 3.9Å; F409-F435 AromaticContact CE2-CG 3.68Å; F409-F435 HydrophobicContact CE2-CG 3.68Å; F409-F435 HydrophobicContact CZ-CB 4.44Å; F409-F435 AromaticContact CZ-CD2 3.93Å; F409-F435 HydrophobicContact CZ-CD2 3.93Å; F409-F435 HydrophobicContact CZ-CE2 4.44Å; F409-F435 HydrophobicContact CZ-CG 4.19Å; L427-F435 HydrophobicContact CD2-CE2 4.29Å; T432-F435 HydrophobicContact CG2-CD1 3.83Å; T432-F435 HydrophobicContact CG2-CD2 4.35Å; T432-F435 HydrophobicContact CG2-CE1 3.43Å; T432-F435 VanDerWaalsContact CG2-CE1 3.43Å; T432-F435 HydrophobicContact CG2-CE2 4Å; T432-F435 HydrophobicContact CG2-CG 4.26Å; T432-F435 HydrophobicContact CG2-CZ 3.53Å; T432-F435 WeakPolarHBondContact O-CE2 3.48Å; F435-F437 HydrophobicContact CB-CD1 4.26Å; F435-F437 HydrophobicContact CB-CE1 4.49Å; F435-R456 WeakPolarHBondContact O-CA 3.49Å; F435-V457 HydrophobicContact CB-CB 4.38Å; F435-V457 PolarHBondContact N-O 3.07Å; F435-V457 PolarHBondContact O-N 3.12Å; F435-L459 HydrophobicContact CE2-CD1 3.99Å; F435-L459 HydrophobicContact CE2-CD2 4.36Å; F435-L459 HydrophobicContact CE2-CG 4.12Å
436S93Very high91.7Very high62 Ų6249.2 Ų49.243%0.43426%0.264SS..EExtended strand (participates in β ladder)trans-132.9105.2177.3-176.80000108.6
437F93.8Very high91.6Very high2 Ų248.7 Ų48.71%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-136.9153.3-173.362.1-91000111.9I403 V407 F409 L421 F435 V455 V457I403-F437 HydrophobicContact CD1-CD2 4.5Å; I403-F437 HydrophobicContact CD1-CE2 4.19Å; I403-F437 HydrophobicContact CG1-CD2 4.47Å; I403-F437 HydrophobicContact CG1-CE2 4.49Å; I403-F437 HydrophobicContact CG2-CB 4.26Å; I403-F437 HydrophobicContact CG2-CD2 3.68Å; I403-F437 HydrophobicContact CG2-CE2 4.41Å; I403-F437 HydrophobicContact CG2-CG 4.27Å; V407-F437 HydrophobicContact CG1-CB 4.21Å; V407-F437 HydrophobicContact CG2-CD1 4.34Å; V407-F437 HydrophobicContact CG2-CD2 4.49Å; V407-F437 HydrophobicContact CG2-CG 4.24Å; F409-F437 HydrophobicContact CB-CZ 4.08Å; F409-F437 HydrophobicContact CD2-CD1 4.06Å; F409-F437 AromaticContact CD2-CE1 3.31Å; F409-F437 HydrophobicContact CD2-CE1 3.31Å; F409-F437 AromaticContact CD2-CZ 3.7Å; F409-F437 HydrophobicContact CD2-CZ 3.7Å; F409-F437 HydrophobicContact CE2-CD1 4.31Å; F409-F437 AromaticContact CE2-CE1 3.61Å; F409-F437 HydrophobicContact CE2-CE1 3.61Å; F409-F437 HydrophobicContact CE2-CZ 4.35Å; F409-F437 AromaticContact CG-CE1 3.98Å; F409-F437 HydrophobicContact CG-CE1 3.98Å; F409-F437 AromaticContact CG-CZ 3.9Å; F409-F437 HydrophobicContact CG-CZ 3.9Å; F409-F437 HydrophobicContact CZ-CE1 4.46Å; L421-F437 HydrophobicContact CD1-CE2 4.17Å; L421-F437 HydrophobicContact CD1-CZ 4.21Å; L421-F437 HydrophobicContact CD2-CZ 4.27Å; F435-F437 HydrophobicContact CB-CD1 4.26Å; F435-F437 HydrophobicContact CB-CE1 4.49Å; F437-V455 HydrophobicContact CD2-CB 4.33Å; F437-V455 HydrophobicContact CE1-CB 4.31Å; F437-V455 HydrophobicContact CE1-CG1 4.22Å; F437-V455 HydrophobicContact CE2-CB 3.9Å; F437-V455 HydrophobicContact CE2-CG1 4.32Å; F437-V455 HydrophobicContact CE2-CG2 4.23Å; F437-V455 HydrophobicContact CZ-CB 3.89Å; F437-V455 HydrophobicContact CZ-CG1 3.84Å; F437-V455 PolarHBondContact N-O 3.3Å; F437-V455 VanDerWaalsContact N-O 3.09Å; F437-V455 PolarHBondContact O-N 3.16Å; F437-V457 HydrophobicContact CE1-CG2 4.13Å
438K93.8Very high91.5Very high71 Ų7151.1 Ų51.131%0.30929%0.286SS..EExtended strand (participates in β ladder)trans-100.2134.5176-58.6-176.2-153.1146.30110.8I403 E404 T452 A453 L454I403-K438 WeakPolarHBondContact CA-O 3.29Å; E404-K438 HydrophobicContact CB-CB 4.16Å; E404-K438 PolarHBondContact N-O 3.41Å; E404-K438 WeakPolarHBondContact OE1-CD 3.5Å; E404-K438 WeakPolarHBondContact OE1-CE 3.49Å; E404-K438 IonicContact OE1-NZ 3.88Å; E404-K438 PolarHBondContact OE1-NZ 2.96Å; E404-K438 IonicContact OE2-NZ 3.78Å; K438-T452 HydrophobicContact CD-CG2 4.33Å; K438-A453 WeakPolarHBondContact CA-O 3.14Å; K438-L454 HydrophobicContact CG-CD1 4.14Å
439I94.2Very high91.5Very high0 Ų049.1 Ų49.10%028%0.275CS..EExtended strand (participates in β ladder)trans-82.7132.1156.7-63.9161000106.7L360 I386 C401 F402 I403 L411 T452 A453 V455L360-I439 HydrophobicContact CD2-CD1 3.92Å; I386-I439 HydrophobicContact CD1-CD1 3.62Å; I386-I439 HydrophobicContact CG1-CD1 4.04Å; C401-I439 VanDerWaalsContact SG-CG2 3.52Å; F402-I439 WeakPolarHBondContact O-CA 3.3Å; I403-I439 HydrophobicContact CG1-CG1 4.41Å; L411-I439 HydrophobicContact CD1-CG2 4.2Å; I439-T452 CarbonylContact O-C 3.56Å; I439-T452 VanDerWaalsContact O-CA 3.27Å; I439-T452 WeakPolarHBondContact O-CA 3.35Å; I439-A453 PolarHBondContact N-O 3.49Å; I439-A453 PolarHBondContact O-N 3.28Å; I439-V455 HydrophobicContact CD1-CG2 3.64Å; I439-V455 HydrophobicContact CG1-CG2 4.3Å
440V93.7Very high91.5Very high11 Ų1151.8 Ų51.87%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-116.2123179.8-1750000108.2C401 F402 E404 T452C401-V440 WeakPolarHBondContact CA-O 3.45Å; F402-V440 HydrophobicContact CD1-CB 4.46Å; F402-V440 HydrophobicContact CD2-CB 4.4Å; F402-V440 HydrophobicContact CE1-CB 4.07Å; F402-V440 HydrophobicContact CE1-CG1 3.96Å; F402-V440 HydrophobicContact CE2-CB 4.01Å; F402-V440 HydrophobicContact CE2-CG1 4.35Å; F402-V440 HydrophobicContact CE2-CG2 4.27Å; F402-V440 HydrophobicContact CZ-CB 3.83Å; F402-V440 HydrophobicContact CZ-CG1 3.72Å; F402-V440 HydrophobicContact CZ-CG2 4.45Å; F402-V440 PolarHBondContact N-O 3.4Å; F402-V440 PolarHBondContact O-N 3.36Å; E404-V440 HydrophobicContact CB-CG2 4.06Å; V440-T452 HydrophobicContact CB-CG2 4.46Å; V440-T452 HydrophobicContact CG1-CG2 4.26Å; V440-T452 HydrophobicContact CG2-CG2 4.01Å
441A93.9Very high91.6Very high0 Ų053.6 Ų53.60%030%0.301CS..EExtended strand (participates in β ladder)trans-104.4129.1165.100000108P356 I358 V388 V399 I400 N450 Q451P356-A441 HydrophobicContact CB-CB 4.15Å; P356-A441 HydrophobicContact CG-CB 4.1Å; I358-A441 HydrophobicContact CD1-CB 3.65Å; I358-A441 HydrophobicContact CG1-CB 3.58Å; V388-A441 HydrophobicContact CG1-CB 4.14Å; V399-A441 HydrophobicContact CG1-CB 3.82Å; I400-A441 WeakPolarHBondContact O-CA 3.42Å; A441-N450 CarbonylContact O-C 3.56Å; A441-N450 WeakPolarHBondContact O-CA 3.14Å; A441-N450 VanDerWaalsContact O-CB 3.24Å; A441-N450 WeakPolarHBondContact O-CB 3.48Å; A441-Q451 PolarHBondContact N-O 3.25Å; A441-Q451 PolarHBondContact O-N 2.89Å
442S92.8Very high91.8Very high16 Ų1654.1 Ų54.111%0.11229%0.294CS..EExtended strand (participates in β ladder)trans-127.4138.9174.9-174.40000108.4V399 I400 L449V399-S442 CarbonylContact C-O 3.34Å; V399-S442 WeakPolarHBondContact CA-O 3.15Å; I400-S442 WeakPolarHBondContact CG1-O 3.04Å; I400-S442 PolarHBondContact N-O 2.9Å; I400-S442 PolarHBondContact O-N 2.76Å; S442-L449 WeakPolarHBondContact CA-O 3.34Å
443D93.6Very high91.8Very high4 Ų452 Ų522%0.02128%0.282CS..  trans-71.7-177168.165.340.5000111.6N352 N396 K398 G445 S448 L449N352-D443 PolarHBondContact ND2-OD2 3.1Å; N352-D443 PolarHBondContact OD1-OD2 3.14Å; N396-D443 WeakPolarHBondContact O-CB 3.43Å; K398-D443 CarbonylContact O-C 3.58Å; D443-G445 WeakPolarHBondContact OD1-CA 3.46Å; D443-G445 PolarHBondContact OD1-N 3.47Å; D443-S448 WeakPolarHBondContact OD1-CA 3.46Å; D443-S448 WeakPolarHBondContact OD1-CB 3.47Å; D443-L449 VanDerWaalsContact CG-N 3.29Å; D443-L449 PolarHBondContact N-O 3.35Å; D443-L449 PolarHBondContact OD1-N 3.19Å; D443-L449 VanDerWaalsContact OD2-CA 3.3Å; D443-L449 WeakPolarHBondContact OD2-CA 3.49Å; D443-L449 WeakPolarHBondContact OD2-CB 3.32Å; D443-L449 PolarHBondContact OD2-N 2.57Å
444S88.8Confident91.9Very high45 Ų4552.2 Ų52.232%0.31529%0.287SS..SBendtrans-106.117.7172-52.10000112.8V395 K398V395-S444 WeakPolarHBondContact CG1-O 3.17Å; V395-S444 WeakPolarHBondContact O-CB 3.13Å; K398-S444 PolarHBondContact O-N 3.21Å; K398-S444 PolarHBondContact O-OG 2.94Å
445G87.3Confident91.9Very high8 Ų848.2 Ų48.28%0.08227%0.268CS..  trans-70.9179.1-174.300000115.8N352 D443 P447 S448N352-G445 WeakPolarHBondContact OD1-CA 3.4Å; D443-G445 WeakPolarHBondContact OD1-CA 3.46Å; D443-G445 PolarHBondContact OD1-N 3.47Å; G445-P447 CarbonylContact C-O 3.56Å; G445-S448 PolarHBondContact O-N 2.77Å
446K83.4Confident91.9Very high194 Ų19452.4 Ų52.484%0.84328%0.283SS*.SBendtrans-144.399.1179.4-66.3-176.1-175.4169.10112.1
447P88.8Confident91.9Very high110 Ų11049.4 Ų49.471%0.71426%0.262SS*.SBendcis-63153.3-5.130.6-36.7000111.4G445G445-P447 CarbonylContact C-O 3.56Å
448S89.2Confident91.9Very high66 Ų6652.5 Ų52.546%0.46228%0.276SS..PPolyproline II helixtrans-82.8129.5175.456.10000111D443 G445D443-S448 WeakPolarHBondContact OD1-CA 3.46Å; D443-S448 WeakPolarHBondContact OD1-CB 3.47Å; G445-S448 PolarHBondContact O-N 2.77Å
449L92.3Very high91.9Very high54 Ų5449.6 Ų49.628%0.28326%0.263SS..PPolyproline II helixtrans-87.3155.1170.3-53.6174.4000110.1N352 P355 S442 D443N352-L449 WeakPolarHBondContact ND2-CD1 3.31Å; N352-L449 WeakPolarHBondContact ND2-CG 3.25Å; P355-L449 HydrophobicContact CB-CB 4.09Å; P355-L449 HydrophobicContact CB-CD1 4.38Å; S442-L449 WeakPolarHBondContact CA-O 3.34Å; D443-L449 VanDerWaalsContact CG-N 3.29Å; D443-L449 PolarHBondContact N-O 3.35Å; D443-L449 PolarHBondContact OD1-N 3.19Å; D443-L449 VanDerWaalsContact OD2-CA 3.3Å; D443-L449 WeakPolarHBondContact OD2-CA 3.49Å; D443-L449 WeakPolarHBondContact OD2-CB 3.32Å; D443-L449 PolarHBondContact OD2-N 2.57Å
450N92.8Very high91.7Very high97 Ų9754.6 Ų54.652%0.51929%0.287SS..EExtended strand (participates in β ladder)trans-144.2158.8175.563.624.4000111.9A441A441-N450 CarbonylContact O-C 3.56Å; A441-N450 WeakPolarHBondContact O-CA 3.14Å; A441-N450 VanDerWaalsContact O-CB 3.24Å; A441-N450 WeakPolarHBondContact O-CB 3.48Å
451Q93.6Very high91.6Very high88 Ų8856.1 Ų56.141%0.41130%0.295SS..EExtended strand (participates in β ladder)trans-134.6149.3176.5179.960.6-13.700108.6P356 I358 A441P356-Q451 WeakPolarHBondContact O-CB 3.29Å; P356-Q451 WeakPolarHBondContact O-CG 3.28Å; I358-Q451 HydrophobicContact CD1-CB 4.38Å; I358-Q451 HydrophobicContact CD1-CG 4.22Å; I358-Q451 WeakPolarHBondContact CD1-O 3.45Å; I358-Q451 HydrophobicContact CG1-CG 4.38Å; A441-Q451 PolarHBondContact N-O 3.25Å; A441-Q451 PolarHBondContact O-N 2.89Å
452T94.2Very high91.5Very high61 Ų6159.2 Ų59.237%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-129.9142.7179.270.30000112K438 I439 V440K438-T452 HydrophobicContact CD-CG2 4.33Å; I439-T452 CarbonylContact O-C 3.56Å; I439-T452 VanDerWaalsContact O-CA 3.27Å; I439-T452 WeakPolarHBondContact O-CA 3.35Å; V440-T452 HydrophobicContact CB-CG2 4.46Å; V440-T452 HydrophobicContact CG1-CG2 4.26Å; V440-T452 HydrophobicContact CG2-CG2 4.01Å
453A92.4Very high91.5Very high17 Ų1758.9 Ų58.914%0.1431%0.306CS..EExtended strand (participates in β ladder)trans-124.4128.2174.800000109.7I358 L360 K438 I439I358-A453 HydrophobicContact CB-CB 4.36Å; I358-A453 HydrophobicContact CD1-CB 4.14Å; I358-A453 HydrophobicContact CG2-CB 4.08Å; L360-A453 HydrophobicContact CD1-CB 3.72Å; L360-A453 HydrophobicContact CG-CB 4.16Å; K438-A453 WeakPolarHBondContact CA-O 3.14Å; I439-A453 PolarHBondContact N-O 3.49Å; I439-A453 PolarHBondContact O-N 3.28Å
454L92.5Very high91.4Very high79 Ų7963 Ų6341%0.41433%0.328SS..EExtended strand (participates in β ladder)trans-87.3125.5-177.5-174.770.7000110.6K438 R456K438-L454 HydrophobicContact CG-CD1 4.14Å; L454-R456 HydrophobicContact CD2-CG 4.38Å; L454-R456 HydrophobicContact CG-CG 4.43Å
455V92.5Very high91.6Very high1 Ų163.3 Ų63.31%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-107.4132.6170-176.30000108.6L360 L421 F437 I439 V457L360-V455 HydrophobicContact CD1-CG2 4.31Å; L421-V455 HydrophobicContact CD2-CG1 4.23Å; L421-V455 HydrophobicContact CD2-CG2 4.4Å; F437-V455 HydrophobicContact CD2-CB 4.33Å; F437-V455 HydrophobicContact CE1-CB 4.31Å; F437-V455 HydrophobicContact CE1-CG1 4.22Å; F437-V455 HydrophobicContact CE2-CB 3.9Å; F437-V455 HydrophobicContact CE2-CG1 4.32Å; F437-V455 HydrophobicContact CE2-CG2 4.23Å; F437-V455 HydrophobicContact CZ-CB 3.89Å; F437-V455 HydrophobicContact CZ-CG1 3.84Å; F437-V455 PolarHBondContact N-O 3.3Å; F437-V455 VanDerWaalsContact N-O 3.09Å; F437-V455 PolarHBondContact O-N 3.16Å; I439-V455 HydrophobicContact CD1-CG2 3.64Å; I439-V455 HydrophobicContact CG1-CG2 4.3Å; V455-V457 HydrophobicContact CG1-CG2 4.03Å
456R94.2Very high91.9Very high114 Ų11465.4 Ų65.443%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-117.4128.1172-62.7-175.7-173.9-176.71.1109.3T370 V371 F435 L454T370-R456 HydrophobicContact CG2-CB 4.16Å; V371-R456 PolarHBondContact N-O 2.86Å; F435-R456 WeakPolarHBondContact O-CA 3.49Å; L454-R456 HydrophobicContact CD2-CG 4.38Å; L454-R456 HydrophobicContact CG-CG 4.43Å
457V93.3Very high92.5Very high0 Ų056.2 Ų56.20%030%0.298CS..EExtended strand (participates in β ladder)trans-126126177.6-173.70000108V371 L373 F409 E434 F435 F437 V455V371-V457 HydrophobicContact CB-CG2 4.48Å; V371-V457 CarbonylContact O-C 3.6Å; V371-V457 WeakPolarHBondContact O-CA 3.44Å; L373-V457 HydrophobicContact CB-CG1 4.46Å; L373-V457 HydrophobicContact CD1-CG1 3.59Å; L373-V457 HydrophobicContact CG-CG1 3.83Å; F409-V457 HydrophobicContact CE1-CG1 4.46Å; F409-V457 HydrophobicContact CE1-CG2 4.42Å; F409-V457 HydrophobicContact CZ-CB 4.18Å; F409-V457 HydrophobicContact CZ-CG1 4.08Å; F409-V457 HydrophobicContact CZ-CG2 4.1Å; E434-V457 CarbonylContact C-O 3.37Å; E434-V457 WeakPolarHBondContact CA-O 3.48Å; F435-V457 HydrophobicContact CB-CB 4.38Å; F435-V457 PolarHBondContact N-O 3.07Å; F435-V457 PolarHBondContact O-N 3.12Å; F437-V457 HydrophobicContact CE1-CG2 4.13Å; V455-V457 HydrophobicContact CG1-CG2 4.03Å
458K93Very high92.7Very high67 Ų6755.7 Ų55.729%0.29129%0.289SS..EExtended strand (participates in β ladder)trans-104.1142.1166.1-76.6-172.1179.1-143.70109.5T370 V371 Y372 L373 E434T370-K458 HydrophobicContact CG2-CB 4.15Å; T370-K458 HydrophobicContact CG2-CD 4.08Å; T370-K458 HydrophobicContact CG2-CG 3.75Å; V371-K458 PolarHBondContact O-N 3.05Å; Y372-K458 WeakPolarHBondContact CA-O 3.49Å; Y372-K458 HydrophobicContact CD1-CB 3.86Å; Y372-K458 HydrophobicContact CE1-CB 3.77Å; Y372-K458 HydrophobicContact CE1-CD 4.02Å; Y372-K458 HydrophobicContact CE1-CG 4.42Å; L373-K458 PolarHBondContact N-O 2.85Å; E434-K458 HydrophobicContact CB-CG 4.2Å; E434-K458 HydrophobicContact CG-CG 4.02Å; E434-K458 WeakPolarHBondContact OE1-CE 3.34Å; E434-K458 IonicContact OE1-NZ 3.17Å; E434-K458 WeakPolarHBondContact OE2-CE 3.38Å; E434-K458 IonicContact OE2-NZ 2.7Å; E434-K458 PolarHBondContact OE2-NZ 3.17Å
459L93.1Very high92.9Very high9 Ų953.4 Ų53.45%0.04727%0.271CS..EExtended strand (participates in β ladder)trans-88.4146.5170.2-62.1-165.5000109.4L373 L427 Y429 T432 K433 F435L373-L459 HydrophobicContact CB-CD2 4.21Å; L373-L459 CarbonylContact O-C 3.58Å; L373-L459 WeakPolarHBondContact O-CA 3.44Å; L427-L459 HydrophobicContact CB-CD1 3.98Å; L427-L459 HydrophobicContact CB-CD2 4.15Å; L427-L459 HydrophobicContact CD1-CD2 3.77Å; L427-L459 HydrophobicContact CD2-CD2 4.29Å; L427-L459 HydrophobicContact CG-CD2 4.28Å; Y429-L459 HydrophobicContact CD2-CB 3.65Å; Y429-L459 HydrophobicContact CE2-CB 4.45Å; Y429-L459 WeakPolarHBondContact CE2-O 3.22Å; T432-L459 WeakPolarHBondContact O-CD1 3.32Å; K433-L459 PolarHBondContact O-N 3.35Å; K433-L459 VanDerWaalsContact O-N 3.17Å; F435-L459 HydrophobicContact CE2-CD1 3.99Å; F435-L459 HydrophobicContact CE2-CD2 4.36Å; F435-L459 HydrophobicContact CE2-CG 4.12Å
460E90.7Very high92.7Very high105 Ų10556.7 Ų56.749%0.49129%0.288SS..EExtended strand (participates in β ladder)trans-102127.7170.9-60.9-166132.900109.3Y372 L373Y372-E460 HydrophobicContact CD1-CG 4.17Å; L373-E460 PolarHBondContact O-N 3.47Å
461D92.3Very high92.5Very high43 Ų4357.7 Ų57.723%0.2329%0.29CS..PPolyproline II helixtrans-64.5118-176.5176.10.1000112.2Y429 S498 N501Y429-D461 HydrophobicContact CD1-CB 3.92Å; Y429-D461 HydrophobicContact CD2-CB 4.41Å; Y429-D461 HydrophobicContact CE1-CB 3.54Å; Y429-D461 HydrophobicContact CE2-CB 4.09Å; Y429-D461 HydrophobicContact CG-CB 4.39Å; D461-S498 PolarHBondContact OD1-N 3.1Å; D461-S498 WeakPolarHBondContact OD2-CA 3.16Å; D461-S498 WeakPolarHBondContact OD2-CB 3.12Å; D461-S498 PolarHBondContact OD2-N 3.06Å; D461-N501 VanDerWaalsContact CG-ND2 3.33Å; D461-N501 PolarHBondContact O-ND2 2.8Å; D461-N501 PolarHBondContact OD1-ND2 2.81Å
462E91Very high92.3Very high65 Ų6558.7 Ų58.730%0.30430%0.304SS..  trans-132.182.1-163.2-94.4-95.3-144.400111.6S374 E375 K376 D464S374-E462 WeakPolarHBondContact OG-CG 3.16Å; S374-E462 PolarHBondContact OG-OE1 2.78Å; E375-E462 HydrophobicContact CG-CB 3.89Å; E375-E462 WeakPolarHBondContact OE1-CB 3.47Å; E375-E462 PolarHBondContact OE1-N 3.02Å; K376-E462 HydrophobicContact CD-CB 4.08Å; K376-E462 HydrophobicContact CD-CG 4.45Å; K376-E462 WeakPolarHBondContact CD-OE2 3.26Å; K376-E462 WeakPolarHBondContact CE-O 3.31Å; K376-E462 HydrophobicContact CG-CB 4.2Å; K376-E462 PolarHBondContact NZ-O 3.15Å; K376-E462 IonicContact NZ-OE2 3.83Å; K376-E462 PolarHBondContact NZ-OE2 3.33Å; E462-D464 PolarHBondContact O-N 2.89Å
463N93Very high92.3Very high10 Ų1058.6 Ų58.65%0.05330%0.303CS..  trans-28104.9-173.7-149.3142.2000114.8K376 N465 D497 N501 D546 G548K376-N463 PolarHBondContact NZ-O 2.88Å; N463-N465 PolarHBondContact ND2-O 2.93Å; N463-D497 WeakPolarHBondContact CA-OD2 3.48Å; N463-D497 PolarHBondContact ND2-OD2 3.27Å; N463-N501 HydrophobicContact CB-CB 3.89Å; N463-N501 PolarHBondContact N-ND2 3.02Å; N463-N501 VanDerWaalsContact N-ND2 3.15Å; N463-N501 VanDerWaalsContact OD1-CA 3.23Å; N463-N501 WeakPolarHBondContact OD1-CA 3.12Å; N463-N501 VanDerWaalsContact OD1-CB 3.28Å; N463-N501 WeakPolarHBondContact OD1-CB 3.34Å; N463-N501 PolarHBondContact OD1-OD1 3.5Å; N463-D546 PolarHBondContact ND2-OD2 3.47Å; N463-G548 WeakPolarHBondContact OD1-CA 3.41Å
464D91.8Very high92.3Very high91 Ų9159 Ų5949%0.48730%0.303SS..  trans-143-18.9179.2101.6-18000114.2E462 D497 L552E462-D464 PolarHBondContact O-N 2.89Å; D464-D497 PolarHBondContact N-OD2 2.75Å; D464-L552 WeakPolarHBondContact O-CD1 3.18Å
465N91.8Very high92.4Very high50 Ų5061.9 Ų61.927%0.26731%0.314SS..SBendtrans-79.8133163.7-60.6-81000110.3N463 D497 L552N463-N465 PolarHBondContact ND2-O 2.93Å; N465-D497 WeakPolarHBondContact CB-OD1 3.05Å; N465-D497 PolarHBondContact N-OD1 3.2Å; N465-D497 PolarHBondContact ND2-OD1 3.26Å; N465-L552 WeakPolarHBondContact O-CD1 3.37Å
466P93.6Very high92.4Very high53 Ų5363.1 Ų63.134%0.34432%0.321SS..PPolyproline II helixtrans-88.6147.5170.333.6-32.2000110.5I468 L552P466-I468 WeakPolarHBondContact O-CG1 3.23Å; P466-I468 PolarHBondContact O-N 3.32Å; P466-L552 HydrophobicContact CB-CB 3.98Å; P466-L552 HydrophobicContact CB-CD1 4.41Å
467P95.8Very high92.4Very high0 Ų061.6 Ų61.60%033%0.328CS..PPolyproline II helixtrans-65.9120.4-179.323.1-32.3000111.3A493 T494 D495 I504 A544 S554P467-A493 HydrophobicContact CB-CB 4.35Å; P467-T494 CarbonylContact C-O 3.6Å; P467-T494 WeakPolarHBondContact CA-O 2.97Å; P467-D495 VanDerWaalsContact CA-OD2 3.23Å; P467-D495 WeakPolarHBondContact CA-OD2 3.18Å; P467-D495 HydrophobicContact CB-CB 4.27Å; P467-D495 VanDerWaalsContact CB-OD2 3.26Å; P467-D495 WeakPolarHBondContact CB-OD2 3.22Å; P467-D495 WeakPolarHBondContact CD-OD2 3.45Å; P467-D495 VanDerWaalsContact N-OD2 3.09Å; P467-I504 HydrophobicContact CB-CD1 3.91Å; P467-I504 HydrophobicContact CB-CG1 4.05Å; P467-I504 HydrophobicContact CB-CG2 4.27Å; P467-A544 HydrophobicContact CB-CB 4.17Å; P467-A544 HydrophobicContact CG-CB 4.21Å; P467-S554 WeakPolarHBondContact O-CB 3.49Å; P467-S554 PolarHBondContact O-OG 3.43Å
468I93Very high92.4Very high100 Ų10062 Ų6251%0.51333%0.33SS..EExtended strand (participates in β ladder)trans-101.3131.1-170.2-50-169.8000111.8P466 A493 T494P466-I468 WeakPolarHBondContact O-CG1 3.23Å; P466-I468 PolarHBondContact O-N 3.32Å; I468-A493 CarbonylContact O-C 3.58Å; I468-A493 WeakPolarHBondContact O-CA 3.25Å; I468-A493 VanDerWaalsContact O-CB 3.31Å; I468-A493 WeakPolarHBondContact O-CB 3.24Å; I468-T494 PolarHBondContact N-O 3.43Å; I468-T494 PolarHBondContact O-N 3.17Å
469F93.5Very high92.4Very high18 Ų1860.9 Ų60.98%0.07933%0.33CS..EExtended strand (participates in β ladder)trans-80.5134.7167.9-65.7-76.4000111.8Q471 I491 S492 A493 Y506 V542 A544 S554 A556F469-Q471 PolarHBondContact O-N 2.73Å; F469-I491 HydrophobicContact CD1-CG2 4.04Å; F469-I491 HydrophobicContact CE1-CG2 3.52Å; F469-S492 WeakPolarHBondContact CD1-O 3.23Å; F469-A493 HydrophobicContact CD1-CB 3.92Å; F469-A493 HydrophobicContact CE1-CB 4.04Å; F469-A493 HydrophobicContact CG-CB 4.33Å; F469-Y506 HydrophobicContact CE1-CD1 4.27Å; F469-Y506 HydrophobicContact CE1-CE1 4.1Å; F469-V542 HydrophobicContact CE1-CG1 4.02Å; F469-V542 HydrophobicContact CE2-CG1 4.34Å; F469-V542 HydrophobicContact CZ-CG1 3.75Å; F469-V542 HydrophobicContact CZ-CG2 4.25Å; F469-A544 HydrophobicContact CE1-CB 3.92Å; F469-A544 HydrophobicContact CE2-CB 3.67Å; F469-A544 HydrophobicContact CZ-CB 3.32Å; F469-S554 VanDerWaalsContact CD2-OG 3.29Å; F469-S554 WeakPolarHBondContact CD2-OG 3.13Å; F469-S554 WeakPolarHBondContact CE2-OG 3.1Å; F469-A556 HydrophobicContact CB-CB 4.1Å; F469-A556 HydrophobicContact CD1-CB 4.34Å; F469-A556 HydrophobicContact CD2-CB 3.6Å; F469-A556 HydrophobicContact CE2-CB 4.04Å; F469-A556 HydrophobicContact CG-CB 3.76Å
470N88.6Confident92.5Very high123 Ų12360.7 Ų60.766%0.65833%0.329SS*.SBendtrans-55.1-22.5175.4-73.9-42.7000114.6
471Q88.7Confident92.5Very high118 Ų11860.3 Ų60.355%0.55133%0.33SS*.  trans-140.3133.3176.8-61.7-179.1-3.500109.7F469 V473F469-Q471 PolarHBondContact O-N 2.73Å; Q471-V473 WeakPolarHBondContact CB-O 3.09Å; Q471-V473 PolarHBondContact O-N 3.2Å
472P90.4Very high92.5Very high109 Ų10958.9 Ų58.971%0.70832%0.323SS*.SBendtrans-74.2-17.3178.831-36000112.9A557P472-A557 PolarHBondContact O-N 3.18Å
473V93.3Very high92.6Very high59 Ų5966 Ų6636%0.35835%0.347SS..EExtended strand (participates in β ladder)trans-131.4126.9174-175.10000107.6Q471 E475 A557 I559Q471-V473 WeakPolarHBondContact CB-O 3.09Å; Q471-V473 PolarHBondContact O-N 3.2Å; V473-E475 HydrophobicContact CG1-CG 3.9Å; V473-A557 CarbonylContact C-O 3.53Å; V473-A557 VanDerWaalsContact CA-O 3.29Å; V473-A557 WeakPolarHBondContact CA-O 3.47Å; V473-A557 HydrophobicContact CG2-CB 4.47Å; V473-I559 HydrophobicContact CG1-CD1 3.55Å; V473-I559 HydrophobicContact CG1-CG1 3.97Å
474I92.7Very high92.5Very high24 Ų2473.8 Ų73.812%0.12338%0.376CS..EExtended strand (participates in β ladder)trans-108.3104.7176.9-57.1175.3000106.7L476 I491 A556 A557 I559I474-L476 HydrophobicContact CG2-CD1 4.45Å; I474-L476 HydrophobicContact CG2-CD2 4.09Å; I474-L476 HydrophobicContact CG2-CG 4.12Å; I474-I491 HydrophobicContact CD1-CG1 4.2Å; I474-I491 HydrophobicContact CD1-CG2 4.02Å; I474-A556 HydrophobicContact CD1-CB 4.32Å; I474-A556 HydrophobicContact CG1-CB 4.49Å; I474-A557 PolarHBondContact N-O 3.38Å; I474-I559 PolarHBondContact O-N 2.79Å
475E93.8Very high92.5Very high140 Ų14071.9 Ų71.965%0.65438%0.378SS*.EExtended strand (participates in β ladder)trans-92.6126.9178.2-58.7-162.6136.700110.3V473 I559V473-E475 HydrophobicContact CG1-CG 3.9Å; E475-I559 HydrophobicContact CG-CB 4.43Å
476L93.6Very high92.6Very high28 Ų2872.9 Ų72.915%0.14738%0.382CS..EExtended strand (participates in β ladder)trans-129.9148.4-176.9-58.7175000109.6I474 T489 L524 V558 I559 V560 T561I474-L476 HydrophobicContact CG2-CD1 4.45Å; I474-L476 HydrophobicContact CG2-CD2 4.09Å; I474-L476 HydrophobicContact CG2-CG 4.12Å; L476-T489 HydrophobicContact CD1-CG2 3.69Å; L476-T489 HydrophobicContact CD2-CG2 3.83Å; L476-T489 HydrophobicContact CG-CG2 4.42Å; L476-L524 HydrophobicContact CD1-CD2 3.83Å; L476-V558 HydrophobicContact CD1-CG1 3.93Å; L476-I559 PolarHBondContact N-O 3.01Å; L476-V560 HydrophobicContact CB-CG2 4.33Å; L476-V560 HydrophobicContact CD1-CG2 4.27Å; L476-V560 WeakPolarHBondContact O-CA 3.44Å; L476-T561 PolarHBondContact O-N 3.46Å
477S93.3Very high92.6Very high82 Ų8276.5 Ų76.557%0.57339%0.39SS*.EExtended strand (participates in β ladder)trans-119.3146.2169.353.70000111T561S477-T561 WeakPolarHBondContact CA-O 2.97Å
478V94.1Very high92.5Very high8 Ų878 Ų785%0.04840%0.398CS..EExtended strand (participates in β ladder)trans-144.1129.2175.666.60000108.2N482 L486 L488 F530 V560 T561 V562 L563V478-N482 HydrophobicContact CG2-CB 4.23Å; V478-L486 HydrophobicContact CG2-CD2 3.77Å; V478-L488 HydrophobicContact CB-CD2 4.05Å; V478-L488 HydrophobicContact CG2-CD2 3.69Å; V478-F530 HydrophobicContact CG1-CD2 3.8Å; V478-F530 HydrophobicContact CG1-CE2 4.16Å; V478-F530 HydrophobicContact CG2-CD2 4.39Å; V478-V560 HydrophobicContact CB-CG1 4.45Å; V478-V560 HydrophobicContact CG1-CG1 3.66Å; V478-T561 PolarHBondContact N-O 3.21Å; V478-T561 VanDerWaalsContact N-O 3.07Å; V478-V562 HydrophobicContact CG1-CG2 4.46Å; V478-V562 CarbonylContact O-C 3.4Å; V478-V562 VanDerWaalsContact O-CA 3.3Å; V478-V562 WeakPolarHBondContact O-CA 3.34Å; V478-L563 PolarHBondContact O-N 2.77Å
479S93.1Very high92.4Very high43 Ų4374.9 Ų74.930%0.30138%0.384SS..EExtended strand (participates in β ladder)trans-60.1145.4167.7-67.90000110.1E565S479-E565 WeakPolarHBondContact CB-OE1 2.99Å; S479-E565 PolarHBondContact OG-OE1 3.39Å
480E94Very high92.5Very high5 Ų576.8 Ų76.82%0.02340%0.397CS..THydrogen-bonded Turntrans-64.2176.5162.568.1-165.2129.400112.2N482 F530 R532 V562 L563 D564 E565E480-N482 PolarHBondContact O-N 2.76Å; E480-F530 WeakPolarHBondContact CB-O 3.49Å; E480-R532 WeakPolarHBondContact OE2-CB 3.33Å; E480-R532 PolarHBondContact OE2-N 2.83Å; E480-V562 HydrophobicContact CB-CG1 3.68Å; E480-L563 PolarHBondContact N-O 2.78Å; E480-L563 VanDerWaalsContact N-O 3.11Å; E480-D564 VanDerWaalsContact OE1-CA 3.28Å; E480-D564 WeakPolarHBondContact OE1-CA 2.96Å; E480-E565 HydrophobicContact CG-CB 3.95Å; E480-E565 HydrophobicContact CG-CG 3.9Å; E480-E565 PolarHBondContact OE1-N 2.86Å
481N91.7Very high92.6Very high97 Ų9771.1 Ų71.152%0.51937%0.366SS..THydrogen-bonded Turntrans55.419-172.9-76.4-67.6000113.9F530 D567N481-F530 PolarHBondContact N-O 3.23Å; N481-D567 PolarHBondContact ND2-OD2 2.99Å
482N92.6Very high92.8Very high13 Ų1368.4 Ų68.47%0.0736%0.361CS..PPolyproline II helixtrans-62.5155.8178.869.7-77.7000112.7V478 E480 L486 R528 V529 F530V478-N482 HydrophobicContact CG2-CB 4.23Å; E480-N482 PolarHBondContact O-N 2.76Å; N482-L486 HydrophobicContact CB-CD2 3.79Å; N482-R528 PolarHBondContact ND2-O 2.93Å; N482-V529 WeakPolarHBondContact O-CG1 3.47Å; N482-V529 WeakPolarHBondContact O-CG2 3.48Å; N482-F530 WeakPolarHBondContact OD1-CD2 3.47Å; N482-F530 PolarHBondContact OD1-N 2.84Å
483R92.3Very high93Very high216 Ų21663.7 Ų63.782%0.81533%0.331SS*.PPolyproline II helixtrans-70.1140.1171.2-61.6-177-175.9-178.61.9110.8G485 L486R483-G485 PolarHBondContact O-N 2.8Å; R483-L486 VanDerWaalsContact O-CB 3.24Å; R483-L486 WeakPolarHBondContact O-CB 3.22Å; R483-L486 PolarHBondContact O-N 3.05Å; R483-L486 VanDerWaalsContact O-N 3.16Å
484R91.2Very high92.9Very high173 Ų17364 Ų6465%0.65333%0.333SS*.THydrogen-bonded Turntrans-59.1134.9164.5178.4174.9-177.9110.424.1109.1S527R484-S527 WeakPolarHBondContact CG-O 3.14Å; R484-S527 PolarHBondContact NE-O 3.42Å; R484-S527 PolarHBondContact NH1-O 3.42Å; R484-S527 PolarHBondContact NH2-O 2.73Å; R484-S527 PolarHBondContact NH2-OG 3.15Å
485G91.4Very high93Very high51 Ų5164 Ų6453%0.52633%0.333SS..THydrogen-bonded Turntrans81.811.8-174.100000114.3R483 Y487 A526R483-G485 PolarHBondContact O-N 2.8Å; G485-Y487 PolarHBondContact O-N 2.69Å; G485-A526 PolarHBondContact N-O 2.99Å
486L93.5Very high92.9Very high70 Ų7063.4 Ų63.437%0.36633%0.33SS..  trans-60.5126.1173.3174.962.7000110.5V478 N482 R483 L488 T525 A526V478-L486 HydrophobicContact CG2-CD2 3.77Å; N482-L486 HydrophobicContact CB-CD2 3.79Å; R483-L486 VanDerWaalsContact O-CB 3.24Å; R483-L486 WeakPolarHBondContact O-CB 3.22Å; R483-L486 PolarHBondContact O-N 3.05Å; R483-L486 VanDerWaalsContact O-N 3.16Å; L486-L488 HydrophobicContact CD2-CD2 4.25Å; L486-L488 HydrophobicContact CG-CD2 4.3Å; L486-T525 CarbonylContact O-C 3.4Å; L486-T525 WeakPolarHBondContact O-CA 3.35Å; L486-T525 WeakPolarHBondContact O-CB 3.44Å; L486-A526 HydrophobicContact CB-CB 4.31Å; L486-A526 PolarHBondContact O-N 2.98Å
487Y94.1Very high92.9Very high130 Ų13062.3 Ų62.351%0.5133%0.325SS..EExtended strand (participates in β ladder)trans-63.8127.1167173.6-88.5000110.4G485 T490 V523G485-Y487 PolarHBondContact O-N 2.69Å; Y487-T490 WeakPolarHBondContact CE2-OG1 3.01Å; Y487-T490 PolarHBondContact OH-N 3.04Å; Y487-T490 VanDerWaalsContact OH-N 3.14Å; Y487-T490 PolarHBondContact OH-OG1 3.41Å; Y487-V523 HydrophobicContact CD2-CG1 3.71Å; Y487-V523 HydrophobicContact CE2-CG1 3.9Å; Y487-V523 HydrophobicContact CE2-CG2 4.4Å
488L92.9Very high92.8Very high31 Ų3160 Ų6016%0.16231%0.308CS..EExtended strand (participates in β ladder)trans-103.2-53178.2-58.8178.5000111.2V478 L486 F515 L524 A526V478-L488 HydrophobicContact CB-CD2 4.05Å; V478-L488 HydrophobicContact CG2-CD2 3.69Å; L486-L488 HydrophobicContact CD2-CD2 4.25Å; L486-L488 HydrophobicContact CG-CD2 4.3Å; L488-F515 HydrophobicContact CD1-CD1 3.63Å; L488-F515 HydrophobicContact CD1-CE1 3.66Å; L488-L524 HydrophobicContact CB-CD2 4.46Å; L488-L524 HydrophobicContact CD1-CD2 4.23Å; L488-L524 HydrophobicContact CD1-CG 4.4Å; L488-L524 PolarHBondContact N-O 3.1Å; L488-A526 HydrophobicContact CD1-CB 4.39Å; L488-A526 HydrophobicContact CD2-CB 4.42Å
489T92.8Very high92.5Very high35 Ų3563 Ų6322%0.21534%0.341CS..EExtended strand (participates in β ladder)trans-164.4173.6178.6-1650000110.6L476 I491 L524L476-T489 HydrophobicContact CD1-CG2 3.69Å; L476-T489 HydrophobicContact CD2-CG2 3.83Å; L476-T489 HydrophobicContact CG-CG2 4.42Å; T489-I491 HydrophobicContact CG2-CG1 4Å; T489-L524 HydrophobicContact CG2-CB 4.28Å; T489-L524 HydrophobicContact CG2-CD2 4.35Å; T489-L524 PolarHBondContact O-N 3.16Å
490T93.6Very high92.3Very high58 Ų5868.2 Ų68.236%0.35636%0.358SS..EExtended strand (participates in β ladder)trans-111.6117165.5-59.30000108.2Y487 T521 V523Y487-T490 WeakPolarHBondContact CE2-OG1 3.01Å; Y487-T490 PolarHBondContact OH-N 3.04Å; Y487-T490 VanDerWaalsContact OH-N 3.14Å; Y487-T490 PolarHBondContact OH-OG1 3.41Å; T490-T521 WeakPolarHBondContact CG2-O 3.28Å; T490-V523 HydrophobicContact CG2-CG2 4.33Å
491I92.2Very high92.1Very high3 Ų369 Ų692%0.01536%0.363CS..  trans-84.1130.6176.8-62.3175.5000108.1F469 I474 T489 L517 G522 L524 V542 V558F469-I491 HydrophobicContact CD1-CG2 4.04Å; F469-I491 HydrophobicContact CE1-CG2 3.52Å; I474-I491 HydrophobicContact CD1-CG1 4.2Å; I474-I491 HydrophobicContact CD1-CG2 4.02Å; T489-I491 HydrophobicContact CG2-CG1 4Å; I491-L517 HydrophobicContact CD1-CD1 4.47Å; I491-G522 PolarHBondContact N-O 2.93Å; I491-G522 WeakPolarHBondContact O-CA 3.12Å; I491-L524 HydrophobicContact CD1-CB 4.29Å; I491-L524 HydrophobicContact CD1-CD2 4.22Å; I491-V542 HydrophobicContact CD1-CB 4.25Å; I491-V542 HydrophobicContact CD1-CG1 4.2Å; I491-V542 HydrophobicContact CD1-CG2 4.17Å; I491-V542 HydrophobicContact CG2-CG1 4.11Å; I491-V542 HydrophobicContact CG2-CG2 4.23Å; I491-V558 HydrophobicContact CD1-CG2 4.1Å
492S92.5Very high92Very high62 Ų6266 Ų6643%0.43435%0.351SS..  trans-134.2141.6176.246.80000111.5F469F469-S492 WeakPolarHBondContact CD1-O 3.23Å
493A93.6Very high92Very high9 Ų969 Ų697%0.07437%0.367CS..EExtended strand (participates in β ladder)trans-115.7160.6163.200000108.8P467 I468 F469 I504 Y506 A544P467-A493 HydrophobicContact CB-CB 4.35Å; I468-A493 CarbonylContact O-C 3.58Å; I468-A493 WeakPolarHBondContact O-CA 3.25Å; I468-A493 VanDerWaalsContact O-CB 3.31Å; I468-A493 WeakPolarHBondContact O-CB 3.24Å; F469-A493 HydrophobicContact CD1-CB 3.92Å; F469-A493 HydrophobicContact CE1-CB 4.04Å; F469-A493 HydrophobicContact CG-CB 4.33Å; A493-I504 HydrophobicContact CB-CD1 4.15Å; A493-I504 HydrophobicContact CB-CG2 4.5Å; A493-I504 VanDerWaalsContact O-CD1 3.32Å; A493-I504 WeakPolarHBondContact O-CD1 3.01Å; A493-Y506 HydrophobicContact CB-CE1 4.08Å; A493-Y506 PolarHBondContact N-OH 2.96Å; A493-A544 HydrophobicContact CB-CB 3.63Å
494T92.7Very high92.1Very high67 Ų6760 Ų6041%0.41134%0.336SS..EExtended strand (participates in β ladder)trans-119.2146.8171.8500000109.5P467 I468P467-T494 CarbonylContact C-O 3.6Å; P467-T494 WeakPolarHBondContact CA-O 2.97Å; I468-T494 PolarHBondContact N-O 3.43Å; I468-T494 PolarHBondContact O-N 3.17Å
495D93.9Very high92.2Very high23 Ų2352.2 Ų52.212%0.12331%0.307CS..  trans-131.2141175.3-147.8-40.7000107.4P467 A502 I504P467-D495 VanDerWaalsContact CA-OD2 3.23Å; P467-D495 WeakPolarHBondContact CA-OD2 3.18Å; P467-D495 HydrophobicContact CB-CB 4.27Å; P467-D495 VanDerWaalsContact CB-OD2 3.26Å; P467-D495 WeakPolarHBondContact CB-OD2 3.22Å; P467-D495 WeakPolarHBondContact CD-OD2 3.45Å; P467-D495 VanDerWaalsContact N-OD2 3.09Å; D495-A502 HydrophobicContact CB-CB 3.88Å; D495-I504 HydrophobicContact CB-CD1 4.01Å; D495-I504 HydrophobicContact CB-CG1 4.25Å
496E91.9Very high92.4Very high127 Ų12750.8 Ų50.859%0.59329%0.286SS*.  trans-94.1-21.4-174.1-58.6-66.714100111.8E430E430-E496 HydrophobicContact CG-CB 3.78Å; E430-E496 WeakPolarHBondContact CG-O 3.41Å
497D94.5Very high92.5Very high6 Ų653.6 Ų53.63%0.03230%0.297CS..SBendtrans-58.4-175.9174-64.3-6.9000111.7N463 D464 N465 N501 A502N463-D497 WeakPolarHBondContact CA-OD2 3.48Å; N463-D497 PolarHBondContact ND2-OD2 3.27Å; D464-D497 PolarHBondContact N-OD2 2.75Å; N465-D497 WeakPolarHBondContact CB-OD1 3.05Å; N465-D497 PolarHBondContact N-OD1 3.2Å; N465-D497 PolarHBondContact ND2-OD1 3.26Å; D497-N501 HydrophobicContact CB-CB 3.51Å; D497-A502 VanDerWaalsContact O-CB 3.31Å; D497-A502 WeakPolarHBondContact O-CB 3.27Å
498S89.3Confident92.5Very high33 Ų3349.4 Ų49.423%0.23128%0.283CS..  trans-131.3167.8-178.5-64.80000116.2K433 D461 K500 N501K433-S498 PolarHBondContact NZ-OG 3.07Å; D461-S498 PolarHBondContact OD1-N 3.1Å; D461-S498 WeakPolarHBondContact OD2-CA 3.16Å; D461-S498 WeakPolarHBondContact OD2-CB 3.12Å; D461-S498 PolarHBondContact OD2-N 3.06Å; S498-K500 PolarHBondContact O-N 3.31Å; S498-N501 WeakPolarHBondContact O-CB 3.39Å; S498-N501 PolarHBondContact O-N 2.79Å
499G89.1Confident92.4Very high72 Ų7248.6 Ų48.674%0.74228%0.283SS*.THydrogen-bonded Turntrans58.9-102.9176.600000114.4
500K89Confident92.1Very high151 Ų15153 Ų5366%0.65731%0.311SS*.THydrogen-bonded Turntrans-90.1-25.1177.2-71.2-176.9-179.8175.50113.4S498 A502 D503 N547S498-K500 PolarHBondContact O-N 3.31Å; K500-A502 PolarHBondContact O-N 3.22Å; K500-D503 WeakPolarHBondContact O-CB 3.46Å; K500-D503 PolarHBondContact O-N 3.31Å; K500-D503 VanDerWaalsContact O-N 3.14Å; K500-N547 CarbonylContact O-C 3.56Å; K500-N547 PolarHBondContact O-N 2.83Å
501N89.5Confident91.7Very high23 Ų2355.4 Ų55.412%0.12332%0.322CS..THydrogen-bonded Turntrans-69.5-30.6-177.9-59-6.2000109D461 N463 D497 S498 D546D461-N501 VanDerWaalsContact CG-ND2 3.33Å; D461-N501 PolarHBondContact O-ND2 2.8Å; D461-N501 PolarHBondContact OD1-ND2 2.81Å; N463-N501 HydrophobicContact CB-CB 3.89Å; N463-N501 PolarHBondContact N-ND2 3.02Å; N463-N501 VanDerWaalsContact N-ND2 3.15Å; N463-N501 VanDerWaalsContact OD1-CA 3.23Å; N463-N501 WeakPolarHBondContact OD1-CA 3.12Å; N463-N501 VanDerWaalsContact OD1-CB 3.28Å; N463-N501 WeakPolarHBondContact OD1-CB 3.34Å; N463-N501 PolarHBondContact OD1-OD1 3.5Å; D497-N501 HydrophobicContact CB-CB 3.51Å; S498-N501 WeakPolarHBondContact O-CB 3.39Å; S498-N501 PolarHBondContact O-N 2.79Å; N501-D546 WeakPolarHBondContact O-CB 3.49Å
502A89.9Confident91.4Very high33 Ų3355.6 Ų55.627%0.27332%0.324SS..THydrogen-bonded Turntrans-97.316.2168.100000116.1D495 D497 K500 I504D495-A502 HydrophobicContact CB-CB 3.88Å; D497-A502 VanDerWaalsContact O-CB 3.31Å; D497-A502 WeakPolarHBondContact O-CB 3.27Å; K500-A502 PolarHBondContact O-N 3.22Å; A502-I504 PolarHBondContact O-N 3.09Å; A502-I504 VanDerWaalsContact O-N 3.1Å
503D92.1Very high91.1Very high76 Ų7657 Ų5741%0.40633%0.334SS..  trans-86.377.2179.4-178.831.4000111.7K500 N547K500-D503 WeakPolarHBondContact O-CB 3.46Å; K500-D503 PolarHBondContact O-N 3.31Å; K500-D503 VanDerWaalsContact O-N 3.14Å; D503-N547 HydrophobicContact CB-CB 4.29Å; D503-N547 VanDerWaalsContact CG-ND2 3.27Å; D503-N547 PolarHBondContact O-N 2.81Å; D503-N547 PolarHBondContact O-ND2 3.05Å; D503-N547 PolarHBondContact OD2-ND2 3.3Å
504I93.5Very high91Very high28 Ų2859.9 Ų59.914%0.14435%0.345CS..  trans-68.9136.9-168.6-49.8177.3000113.4P467 A493 D495 A502 Y506 A544 R545P467-I504 HydrophobicContact CB-CD1 3.91Å; P467-I504 HydrophobicContact CB-CG1 4.05Å; P467-I504 HydrophobicContact CB-CG2 4.27Å; A493-I504 HydrophobicContact CB-CD1 4.15Å; A493-I504 HydrophobicContact CB-CG2 4.5Å; A493-I504 VanDerWaalsContact O-CD1 3.32Å; A493-I504 WeakPolarHBondContact O-CD1 3.01Å; D495-I504 HydrophobicContact CB-CD1 4.01Å; D495-I504 HydrophobicContact CB-CG1 4.25Å; A502-I504 PolarHBondContact O-N 3.09Å; A502-I504 VanDerWaalsContact O-N 3.1Å; I504-Y506 HydrophobicContact CG2-CD1 4.47Å; I504-Y506 HydrophobicContact CG2-CE1 3.88Å; I504-Y506 HydrophobicContact CG2-CE2 4.2Å; I504-A544 HydrophobicContact CG2-CB 3.95Å; I504-R545 CarbonylContact C-O 3.57Å
505V94.5Very high91.1Very high9 Ų957 Ų576%0.05533%0.327CS..EExtended strand (participates in β ladder)trans-119.8131.4177.31650000109.6R519 A544 R545V505-R519 HydrophobicContact CG1-CG 3.75Å; V505-R519 VanDerWaalsContact CG2-NH1 3.27Å; V505-A544 WeakPolarHBondContact O-CA 3.44Å; V505-R545 WeakPolarHBondContact CA-O 3.45Å; V505-R545 WeakPolarHBondContact CB-O 2.91Å; V505-R545 PolarHBondContact N-O 3.32Å; V505-R545 PolarHBondContact O-N 3Å
506Y95.5Very high91.1Very high21 Ų2160 Ų608%0.08234%0.343CS..EExtended strand (participates in β ladder)trans-102.3139.5175.6-55.4-78.1000112.5F469 A493 I504 R519 T543 A544F469-Y506 HydrophobicContact CE1-CD1 4.27Å; F469-Y506 HydrophobicContact CE1-CE1 4.1Å; A493-Y506 HydrophobicContact CB-CE1 4.08Å; A493-Y506 PolarHBondContact N-OH 2.96Å; I504-Y506 HydrophobicContact CG2-CD1 4.47Å; I504-Y506 HydrophobicContact CG2-CE1 3.88Å; I504-Y506 HydrophobicContact CG2-CE2 4.2Å; Y506-R519 PolarHBondContact N-O 2.75Å; Y506-R519 WeakPolarHBondContact O-CA 2.91Å; Y506-T543 CarbonylContact C-O 3.53Å; Y506-T543 WeakPolarHBondContact CA-O 3.43Å; Y506-A544 HydrophobicContact CD1-CB 4.13Å; Y506-A544 HydrophobicContact CE1-CB 4.02Å
507Q94.4Very high91.3Very high128 Ų12855.4 Ų55.460%0.59832%0.322SS*.EExtended strand (participates in β ladder)trans-141.5137.7176.5-174.8171.84.600112.2T543Q507-T543 PolarHBondContact N-O 2.85Å; Q507-T543 PolarHBondContact O-N 3.47Å
508L94.3Very high91.3Very high43 Ų4358.5 Ų58.523%0.22534%0.339CS..EExtended strand (participates in β ladder)trans-79.8143.8174.9-71.1174000113A512 F515 L517 L524 F540L508-A512 HydrophobicContact CB-CB 3.77Å; L508-A512 HydrophobicContact CD1-CB 3.94Å; L508-A512 HydrophobicContact CD2-CB 3.95Å; L508-A512 HydrophobicContact CG-CB 4.09Å; L508-F515 HydrophobicContact CD1-CB 4.41Å; L508-F515 VanDerWaalsContact CD1-O 3.25Å; L508-F515 WeakPolarHBondContact CD1-O 3.21Å; L508-L517 HydrophobicContact CD1-CB 3.64Å; L508-L517 HydrophobicContact CD2-CB 4.06Å; L508-L517 HydrophobicContact CD2-CD2 3.77Å; L508-L517 HydrophobicContact CG-CB 3.63Å; L508-L517 HydrophobicContact CG-CD2 3.72Å; L508-L517 HydrophobicContact CG-CG 4.34Å; L508-L524 HydrophobicContact CD2-CD1 4.05Å; L508-F540 HydrophobicContact CD2-CD2 3.97Å; L508-F540 HydrophobicContact CD2-CE2 3.59Å
509G91.6Very high91.5Very high14 Ų1463.3 Ų63.314%0.14435%0.352CS..  trans-80.9176.2174.700000114.7N511 A512 T541G509-N511 PolarHBondContact O-N 3.16Å; G509-A512 WeakPolarHBondContact O-CB 3.49Å; G509-A512 PolarHBondContact O-N 2.81Å; G509-T541 WeakPolarHBondContact CA-O 3.06Å; G509-T541 PolarHBondContact N-O 2.96Å
510P86Confident91.6Very high126 Ų12667.3 Ų67.382%0.81835%0.349SS*.THydrogen-bonded Turntrans-67.6-10.1-162.825.7-35.9000116.7
511N84.9Confident91.7Very high110 Ų11063.9 Ų63.959%0.58834%0.34SS*.THydrogen-bonded Turntrans-103.82.8-179.1-66.6-1000113.5G509 S513 I539 F540G509-N511 PolarHBondContact O-N 3.16Å; N511-S513 VanDerWaalsContact C-N 3.34Å; N511-S513 PolarHBondContact O-N 2.97Å; N511-I539 PolarHBondContact ND2-O 2.9Å; N511-F540 HydrophobicContact CB-CB 4.03Å
512A86.3Confident91.8Very high6 Ų662.8 Ų62.85%0.0534%0.335CS..  trans-90.521-16900000114.9L508 G509 F514 F515 F540L508-A512 HydrophobicContact CB-CB 3.77Å; L508-A512 HydrophobicContact CD1-CB 3.94Å; L508-A512 HydrophobicContact CD2-CB 3.95Å; L508-A512 HydrophobicContact CG-CB 4.09Å; G509-A512 WeakPolarHBondContact O-CB 3.49Å; G509-A512 PolarHBondContact O-N 2.81Å; A512-F514 PolarHBondContact O-N 2.88Å; A512-F515 PolarHBondContact O-N 3Å; A512-F540 HydrophobicContact CB-CB 4.04Å; A512-F540 HydrophobicContact CB-CD1 4.4Å; A512-F540 HydrophobicContact CB-CD2 3.67Å; A512-F540 HydrophobicContact CB-CE2 4.17Å; A512-F540 HydrophobicContact CB-CG 3.79Å
513S87.5Confident92.1Very high93 Ų9363.1 Ų63.165%0.6533%0.333SS*.THydrogen-bonded Turntrans-61.7-3.6-171.856.90000116.3N511N511-S513 VanDerWaalsContact C-N 3.34Å; N511-S513 PolarHBondContact O-N 2.97Å
514F91.6Very high92.2Very high69 Ų6959.5 Ų59.530%0.30331%0.314SS..THydrogen-bonded Turntrans-109.26.4178.7-56.5-49.9000112.9A512 S527 R528 F530 F538A512-F514 PolarHBondContact O-N 2.88Å; F514-S527 WeakPolarHBondContact O-CA 3.43Å; F514-S527 WeakPolarHBondContact O-CB 3.17Å; F514-S527 PolarHBondContact O-N 3.18Å; F514-R528 HydrophobicContact CB-CG 4.08Å; F514-R528 HydrophobicContact CD1-CG 4.13Å; F514-R528 HydrophobicContact CG-CG 4.33Å; F514-F530 HydrophobicContact CB-CE1 3.96Å; F514-F530 HydrophobicContact CB-CZ 4.37Å; F514-F538 AromaticContact CD2-CD1 3.98Å; F514-F538 HydrophobicContact CD2-CD1 3.98Å; F514-F538 AromaticContact CD2-CE1 3.65Å; F514-F538 HydrophobicContact CD2-CE1 3.65Å; F514-F538 HydrophobicContact CE2-CE1 4Å
515F94.6Very high92.3Very high6 Ų659.7 Ų59.73%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-131.5137.5-177-55.7-86.8000110.1L488 L508 A512 L524 T525 F530 F538 F540 V560L488-F515 HydrophobicContact CD1-CD1 3.63Å; L488-F515 HydrophobicContact CD1-CE1 3.66Å; L508-F515 HydrophobicContact CD1-CB 4.41Å; L508-F515 VanDerWaalsContact CD1-O 3.25Å; L508-F515 WeakPolarHBondContact CD1-O 3.21Å; A512-F515 PolarHBondContact O-N 3Å; F515-L524 HydrophobicContact CB-CD1 4.01Å; F515-T525 CarbonylContact C-O 3.51Å; F515-T525 VanDerWaalsContact CA-O 3.28Å; F515-T525 WeakPolarHBondContact CA-O 3.25Å; F515-F530 HydrophobicContact CD1-CZ 4.21Å; F515-F530 HydrophobicContact CE1-CE1 4.4Å; F515-F530 AromaticContact CE1-CE2 3.99Å; F515-F530 HydrophobicContact CE1-CE2 3.99Å; F515-F530 AromaticContact CE1-CZ 3.44Å; F515-F530 HydrophobicContact CE1-CZ 3.44Å; F515-F530 VanDerWaalsContact CE1-CZ 3.44Å; F515-F530 HydrophobicContact CE2-CZ 4.3Å; F515-F530 HydrophobicContact CZ-CE1 4.01Å; F515-F530 HydrophobicContact CZ-CE2 4.34Å; F515-F530 AromaticContact CZ-CZ 3.49Å; F515-F530 HydrophobicContact CZ-CZ 3.49Å; F515-F530 VanDerWaalsContact CZ-CZ 3.49Å; F515-F538 HydrophobicContact CE2-CB 3.86Å; F515-F538 HydrophobicContact CE2-CD1 4.43Å; F515-F538 HydrophobicContact CE2-CD2 4.44Å; F515-F538 AromaticContact CE2-CG 3.97Å; F515-F538 HydrophobicContact CE2-CG 3.97Å; F515-F538 HydrophobicContact CZ-CB 3.95Å; F515-F538 AromaticContact CZ-CD2 3.99Å; F515-F538 HydrophobicContact CZ-CD2 3.99Å; F515-F538 AromaticContact CZ-CG 3.96Å; F515-F538 HydrophobicContact CZ-CG 3.96Å; F515-F540 HydrophobicContact CB-CZ 4.42Å; F515-F540 HydrophobicContact CD1-CE1 4.41Å; F515-F540 HydrophobicContact CD1-CZ 4.33Å; F515-F540 HydrophobicContact CD2-CD1 4.09Å; F515-F540 AromaticContact CD2-CE1 3.45Å; F515-F540 HydrophobicContact CD2-CE1 3.45Å; F515-F540 VanDerWaalsContact CD2-CE1 3.45Å; F515-F540 AromaticContact CD2-CZ 3.82Å; F515-F540 HydrophobicContact CD2-CZ 3.82Å; F515-F540 HydrophobicContact CE1-CE1 4.35Å; F515-F540 AromaticContact CE2-CD1 4Å; F515-F540 HydrophobicContact CE2-CD1 4Å; F515-F540 AromaticContact CE2-CE1 3.4Å; F515-F540 HydrophobicContact CE2-CE1 3.4Å; F515-F540 VanDerWaalsContact CE2-CE1 3.4Å; F515-F540 HydrophobicContact CE2-CZ 4.18Å; F515-F540 AromaticContact CG-CE1 3.99Å; F515-F540 HydrophobicContact CG-CE1 3.99Å; F515-F540 AromaticContact CG-CZ 3.92Å; F515-F540 HydrophobicContact CG-CZ 3.92Å; F515-F540 AromaticContact CZ-CE1 3.88Å; F515-F540 HydrophobicContact CZ-CE1 3.88Å; F515-V560 HydrophobicContact CE1-CB 4.28Å; F515-V560 HydrophobicContact CE1-CG1 4.17Å; F515-V560 HydrophobicContact CE1-CG2 3.81Å; F515-V560 HydrophobicContact CZ-CB 4.03Å; F515-V560 HydrophobicContact CZ-CG1 4.22Å; F515-V560 HydrophobicContact CZ-CG2 3.83Å
516D94.1Very high92.3Very high85 Ų8559.2 Ų59.246%0.45531%0.314SS..EExtended strand (participates in β ladder)trans-108.8130.5173.2-69.2-55.4000108.8T525 S527D516-T525 PolarHBondContact N-O 2.89Å; D516-T525 PolarHBondContact O-N 2.9Å; D516-T525 PolarHBondContact O-OG1 2.94Å; D516-T525 VanDerWaalsContact O-OG1 3.08Å; D516-S527 WeakPolarHBondContact OD2-CB 3.42Å; D516-S527 PolarHBondContact OD2-OG 2.94Å
517L94.7Very high92.1Very high32 Ų3259 Ų5917%0.16832%0.315CS..EExtended strand (participates in β ladder)trans-122.9127-177.9177.666.4000109.9I491 L508 R519 G522 V523 L524 V542I491-L517 HydrophobicContact CD1-CD1 4.47Å; L508-L517 HydrophobicContact CD1-CB 3.64Å; L508-L517 HydrophobicContact CD2-CB 4.06Å; L508-L517 HydrophobicContact CD2-CD2 3.77Å; L508-L517 HydrophobicContact CG-CB 3.63Å; L508-L517 HydrophobicContact CG-CD2 3.72Å; L508-L517 HydrophobicContact CG-CG 4.34Å; L517-R519 PolarHBondContact O-N 3.27Å; L517-G522 WeakPolarHBondContact CD1-O 3.42Å; L517-V523 WeakPolarHBondContact CA-O 3.28Å; L517-L524 HydrophobicContact CB-CD1 4.19Å; L517-L524 HydrophobicContact CD1-CB 4.2Å; L517-L524 HydrophobicContact CD1-CD1 4.22Å; L517-V542 HydrophobicContact CD2-CG2 3.85Å
518D94.1Very high92Very high70 Ų7055.4 Ų55.437%0.37430%0.296SS..  trans-72117.9168.9179.8-2.9000110.4K520 T521 G522 V523D518-K520 PolarHBondContact O-N 2.96Å; D518-K520 VanDerWaalsContact O-N 3.09Å; D518-K520 PolarHBondContact OD1-N 2.88Å; D518-T521 VanDerWaalsContact CB-OG1 3.28Å; D518-T521 WeakPolarHBondContact CB-OG1 3.37Å; D518-T521 WeakPolarHBondContact OD2-CB 3.35Å; D518-T521 VanDerWaalsContact OD2-CG2 3.22Å; D518-T521 WeakPolarHBondContact OD2-CG2 3.38Å; D518-T521 PolarHBondContact OD2-N 2.83Å; D518-T521 PolarHBondContact OD2-OG1 3.21Å; D518-G522 WeakPolarHBondContact O-CA 3.19Å; D518-G522 PolarHBondContact O-N 3.19Å; D518-V523 PolarHBondContact N-O 3.14Å
519R93.8Very high91.9Very high134 Ų13456.9 Ų56.951%0.50631%0.307SS..THydrogen-bonded Turntrans-54-25.1178.1-172.3179.3-176.5-79.83.4113.9V505 Y506 L517V505-R519 HydrophobicContact CG1-CG 3.75Å; V505-R519 VanDerWaalsContact CG2-NH1 3.27Å; Y506-R519 PolarHBondContact N-O 2.75Å; Y506-R519 WeakPolarHBondContact O-CA 2.91Å; L517-R519 PolarHBondContact O-N 3.27Å
520K91.1Very high92.1Very high157 Ų15756.3 Ų56.368%0.68330%0.3SS*.THydrogen-bonded Turntrans-106-51.6-179.4-73.9-161.9168.9-151.80114D518 G522D518-K520 PolarHBondContact O-N 2.96Å; D518-K520 VanDerWaalsContact O-N 3.09Å; D518-K520 PolarHBondContact OD1-N 2.88Å; K520-G522 VanDerWaalsContact C-N 3.33Å
521T91.6Very high92.4Very high78 Ų7853.9 Ų53.948%0.47928%0.281SS..THydrogen-bonded Turntrans-81-13-176.163.70000113.7T490 D518 V523T490-T521 WeakPolarHBondContact CG2-O 3.28Å; D518-T521 VanDerWaalsContact CB-OG1 3.28Å; D518-T521 WeakPolarHBondContact CB-OG1 3.37Å; D518-T521 WeakPolarHBondContact OD2-CB 3.35Å; D518-T521 VanDerWaalsContact OD2-CG2 3.22Å; D518-T521 WeakPolarHBondContact OD2-CG2 3.38Å; D518-T521 PolarHBondContact OD2-N 2.83Å; D518-T521 PolarHBondContact OD2-OG1 3.21Å; T521-V523 PolarHBondContact O-N 2.92Å; T521-V523 WeakPolarHBondContact OG1-CG2 3.48Å
522G92.7Very high92.9Very high0 Ų050.2 Ų50.20%026%0.258CS..  trans72.94.8-178.200000114.2I491 L517 D518 K520 L524I491-G522 PolarHBondContact N-O 2.93Å; I491-G522 WeakPolarHBondContact O-CA 3.12Å; L517-G522 WeakPolarHBondContact CD1-O 3.42Å; D518-G522 WeakPolarHBondContact O-CA 3.19Å; D518-G522 PolarHBondContact O-N 3.19Å; K520-G522 VanDerWaalsContact C-N 3.33Å; G522-L524 PolarHBondContact O-N 3Å
523V94.7Very high93.2Very high41 Ų4153 Ų5325%0.24827%0.271CS..EExtended strand (participates in β ladder)trans-66.9117.8179.41720000110.5Y487 T490 L517 D518 T521 T525Y487-V523 HydrophobicContact CD2-CG1 3.71Å; Y487-V523 HydrophobicContact CE2-CG1 3.9Å; Y487-V523 HydrophobicContact CE2-CG2 4.4Å; T490-V523 HydrophobicContact CG2-CG2 4.33Å; L517-V523 WeakPolarHBondContact CA-O 3.28Å; D518-V523 PolarHBondContact N-O 3.14Å; T521-V523 PolarHBondContact O-N 2.92Å; T521-V523 WeakPolarHBondContact OG1-CG2 3.48Å; V523-T525 HydrophobicContact CG1-CG2 3.97Å
524L94.8Very high93.5Very high0 Ų054.2 Ų54.20%027%0.266CS..EExtended strand (participates in β ladder)trans-98.7128.8177.4-174.775.4000110.4L476 L488 T489 I491 L508 F515 L517 G522 F540 V558L476-L524 HydrophobicContact CD1-CD2 3.83Å; L488-L524 HydrophobicContact CB-CD2 4.46Å; L488-L524 HydrophobicContact CD1-CD2 4.23Å; L488-L524 HydrophobicContact CD1-CG 4.4Å; L488-L524 PolarHBondContact N-O 3.1Å; T489-L524 HydrophobicContact CG2-CB 4.28Å; T489-L524 HydrophobicContact CG2-CD2 4.35Å; T489-L524 PolarHBondContact O-N 3.16Å; I491-L524 HydrophobicContact CD1-CB 4.29Å; I491-L524 HydrophobicContact CD1-CD2 4.22Å; L508-L524 HydrophobicContact CD2-CD1 4.05Å; F515-L524 HydrophobicContact CB-CD1 4.01Å; L517-L524 HydrophobicContact CB-CD1 4.19Å; L517-L524 HydrophobicContact CD1-CB 4.2Å; L517-L524 HydrophobicContact CD1-CD1 4.22Å; G522-L524 PolarHBondContact O-N 3Å; L524-F540 HydrophobicContact CD1-CZ 4.48Å; L524-F540 HydrophobicContact CD2-CZ 4.26Å; L524-V558 HydrophobicContact CD2-CG1 4.34Å
525T94.9Very high93.4Very high31 Ų3155.3 Ų55.319%0.1927%0.272CS..EExtended strand (participates in β ladder)trans-130.5155.3-179.166.80000112.5L486 F515 D516 V523L486-T525 CarbonylContact O-C 3.4Å; L486-T525 WeakPolarHBondContact O-CA 3.35Å; L486-T525 WeakPolarHBondContact O-CB 3.44Å; F515-T525 CarbonylContact C-O 3.51Å; F515-T525 VanDerWaalsContact CA-O 3.28Å; F515-T525 WeakPolarHBondContact CA-O 3.25Å; D516-T525 PolarHBondContact N-O 2.89Å; D516-T525 PolarHBondContact O-N 2.9Å; D516-T525 PolarHBondContact O-OG1 2.94Å; D516-T525 VanDerWaalsContact O-OG1 3.08Å; V523-T525 HydrophobicContact CG1-CG2 3.97Å
526A94.5Very high93.3Very high0 Ų060.8 Ų60.80%030%0.297CS..EExtended strand (participates in β ladder)trans-80.4114.9175.100000111.4G485 L486 L488 R528 F530G485-A526 PolarHBondContact N-O 2.99Å; L486-A526 HydrophobicContact CB-CB 4.31Å; L486-A526 PolarHBondContact O-N 2.98Å; L488-A526 HydrophobicContact CD1-CB 4.39Å; L488-A526 HydrophobicContact CD2-CB 4.42Å; A526-R528 VanDerWaalsContact C-N 3.28Å; A526-R528 PolarHBondContact O-N 3.45Å; A526-F530 HydrophobicContact CB-CE2 3.67Å; A526-F530 HydrophobicContact CB-CZ 4.27Å
527S92.2Very high93.3Very high16 Ų1661.6 Ų61.611%0.11229%0.294CS..SBendtrans-77.2-11.3177.7-155.10000113R484 F514 D516R484-S527 WeakPolarHBondContact CG-O 3.14Å; R484-S527 PolarHBondContact NE-O 3.42Å; R484-S527 PolarHBondContact NH1-O 3.42Å; R484-S527 PolarHBondContact NH2-O 2.73Å; R484-S527 PolarHBondContact NH2-OG 3.15Å; F514-S527 WeakPolarHBondContact O-CA 3.43Å; F514-S527 WeakPolarHBondContact O-CB 3.17Å; F514-S527 PolarHBondContact O-N 3.18Å; D516-S527 WeakPolarHBondContact OD2-CB 3.42Å; D516-S527 PolarHBondContact OD2-OG 2.94Å
528R91.5Very high93.2Very high52 Ų5260.8 Ų60.820%0.19629%0.289CS..SBendtrans-136.6172.3173.867.8166.5-177.4163.20.4112.9N482 F514 A526 F530 E534N482-R528 PolarHBondContact ND2-O 2.93Å; F514-R528 HydrophobicContact CB-CG 4.08Å; F514-R528 HydrophobicContact CD1-CG 4.13Å; F514-R528 HydrophobicContact CG-CG 4.33Å; A526-R528 VanDerWaalsContact C-N 3.28Å; A526-R528 PolarHBondContact O-N 3.45Å; R528-F530 HydrophobicContact CG-CD1 4.12Å; R528-F530 HydrophobicContact CG-CE1 3.9Å; R528-F530 HydrophobicContact CG-CZ 4.45Å; R528-E534 IonicContact CZ-OE2 2.65Å; R528-E534 IonicContact NH1-OE1 2.83Å; R528-E534 IonicContact NH1-OE2 3.2Å; R528-E534 PolarHBondContact NH1-OE2 2.93Å; R528-E534 IonicContact NH2-OE2 2.71Å; R528-E534 PolarHBondContact NH2-OE2 2.83Å
529V93.3Very high93.2Very high75 Ų7561.9 Ų61.946%0.45529%0.294SS..  trans-72.8134.3156.6-171.40000107.2N482N482-V529 WeakPolarHBondContact O-CG1 3.47Å; N482-V529 WeakPolarHBondContact O-CG2 3.48Å
530F94.3Very high93.3Very high2 Ų255.8 Ų55.81%0.00927%0.271CS..  trans-94.7156172-62.8-64.2000111.2V478 E480 N481 N482 F514 F515 A526 R528 F538 V562V478-F530 HydrophobicContact CG1-CD2 3.8Å; V478-F530 HydrophobicContact CG1-CE2 4.16Å; V478-F530 HydrophobicContact CG2-CD2 4.39Å; E480-F530 WeakPolarHBondContact CB-O 3.49Å; N481-F530 PolarHBondContact N-O 3.23Å; N482-F530 WeakPolarHBondContact OD1-CD2 3.47Å; N482-F530 PolarHBondContact OD1-N 2.84Å; F514-F530 HydrophobicContact CB-CE1 3.96Å; F514-F530 HydrophobicContact CB-CZ 4.37Å; F515-F530 HydrophobicContact CD1-CZ 4.21Å; F515-F530 HydrophobicContact CE1-CE1 4.4Å; F515-F530 AromaticContact CE1-CE2 3.99Å; F515-F530 HydrophobicContact CE1-CE2 3.99Å; F515-F530 AromaticContact CE1-CZ 3.44Å; F515-F530 HydrophobicContact CE1-CZ 3.44Å; F515-F530 VanDerWaalsContact CE1-CZ 3.44Å; F515-F530 HydrophobicContact CE2-CZ 4.3Å; F515-F530 HydrophobicContact CZ-CE1 4.01Å; F515-F530 HydrophobicContact CZ-CE2 4.34Å; F515-F530 AromaticContact CZ-CZ 3.49Å; F515-F530 HydrophobicContact CZ-CZ 3.49Å; F515-F530 VanDerWaalsContact CZ-CZ 3.49Å; A526-F530 HydrophobicContact CB-CE2 3.67Å; A526-F530 HydrophobicContact CB-CZ 4.27Å; R528-F530 HydrophobicContact CG-CD1 4.12Å; R528-F530 HydrophobicContact CG-CE1 3.9Å; R528-F530 HydrophobicContact CG-CZ 4.45Å; F530-F538 HydrophobicContact CD1-CD2 4.3Å; F530-F538 AromaticContact CD1-CE2 3.39Å; F530-F538 HydrophobicContact CD1-CE2 3.39Å; F530-F538 AromaticContact CD1-CZ 3.65Å; F530-F538 HydrophobicContact CD1-CZ 3.65Å; F530-F538 HydrophobicContact CE1-CD2 4.07Å; F530-F538 HydrophobicContact CE1-CE1 4.48Å; F530-F538 AromaticContact CE1-CE2 3.55Å; F530-F538 HydrophobicContact CE1-CE2 3.55Å; F530-F538 AromaticContact CE1-CZ 3.81Å; F530-F538 HydrophobicContact CE1-CZ 3.81Å; F530-F538 HydrophobicContact CG-CE2 4.23Å; F530-F538 HydrophobicContact CZ-CE2 4.49Å; F530-V562 HydrophobicContact CB-CG1 4.23Å; F530-V562 HydrophobicContact CB-CG2 4.16Å; F530-V562 HydrophobicContact CG-CG2 4.42Å
531D93.8Very high93.4Very high75 Ų7550.5 Ų50.540%0.40125%0.252SS..  trans-143.1118.8-173.9166.3-32.4000103.7E533 E534 Q535D531-E533 WeakPolarHBondContact OD1-CB 3.43Å; D531-E533 PolarHBondContact OD1-N 2.95Å; D531-E534 HydrophobicContact CB-CB 4.25Å; D531-E534 WeakPolarHBondContact OD1-CB 3.46Å; D531-E534 PolarHBondContact OD1-N 3.47Å; D531-Q535 PolarHBondContact O-N 2.84Å
532R94.8Very high93.6Very high32 Ų3246.8 Ų46.812%0.12123%0.229CC..Hα-helixtrans-80.8-30.3-170.7-162.2-1605855.7-3.2111.6E480 E534 Q535 E536 V562 D564 D600E480-R532 WeakPolarHBondContact OE2-CB 3.33Å; E480-R532 PolarHBondContact OE2-N 2.83Å; R532-E534 VanDerWaalsContact C-N 3.33Å; R532-Q535 CarbonylContact O-C 3.5Å; R532-Q535 PolarHBondContact O-N 2.84Å; R532-E536 HydrophobicContact CG-CB 4.09Å; R532-E536 PolarHBondContact O-N 2.88Å; R532-E536 VanDerWaalsContact O-N 3.16Å; R532-V562 HydrophobicContact CB-CB 4.37Å; R532-V562 HydrophobicContact CB-CG1 3.83Å; R532-V562 HydrophobicContact CG-CB 4.05Å; R532-V562 HydrophobicContact CG-CG1 4.01Å; R532-D564 IonicContact CZ-OD1 2.78Å; R532-D564 IonicContact NE-OD1 3.24Å; R532-D564 PolarHBondContact NE-OD1 2.98Å; R532-D564 IonicContact NH2-OD1 2.7Å; R532-D564 PolarHBondContact NH2-OD1 3.24Å; R532-D600 VanDerWaalsContact NH2-C 3.26Å
533E93.4Very high93.7Very high66 Ų6647.4 Ų47.431%0.30823%0.233SC..Hα-helixtrans-61.8-37.3172.3-82.547.8-117.500111.9D531 A599D531-E533 WeakPolarHBondContact OD1-CB 3.43Å; D531-E533 PolarHBondContact OD1-N 2.95Å; E533-A599 HydrophobicContact CG-CB 3.75Å; E533-A599 VanDerWaalsContact OE1-C 3.31Å; E533-A599 VanDerWaalsContact OE1-O 3.13Å
534E92.1Very high93.8Very high118 Ų11845.5 Ų45.555%0.55122%0.222SC*.Hα-helixtrans-71.1-53.1170.1-170.2-167.1-122.700110.9R528 D531 R532R528-E534 IonicContact CZ-OE2 2.65Å; R528-E534 IonicContact NH1-OE1 2.83Å; R528-E534 IonicContact NH1-OE2 3.2Å; R528-E534 PolarHBondContact NH1-OE2 2.93Å; R528-E534 IonicContact NH2-OE2 2.71Å; R528-E534 PolarHBondContact NH2-OE2 2.83Å; D531-E534 HydrophobicContact CB-CB 4.25Å; D531-E534 WeakPolarHBondContact OD1-CB 3.46Å; D531-E534 PolarHBondContact OD1-N 3.47Å; R532-E534 VanDerWaalsContact C-N 3.33Å
535Q91.3Very high93.8Very high91 Ų9150.6 Ų50.643%0.42524%0.241SC..Hα-helixtrans-157.194.5-173.9-171.967.798.500114.4D531 R532 R537 F538 V562D531-Q535 PolarHBondContact O-N 2.84Å; R532-Q535 CarbonylContact O-C 3.5Å; R532-Q535 PolarHBondContact O-N 2.84Å; Q535-R537 PolarHBondContact O-N 2.98Å; Q535-F538 HydrophobicContact CB-CE1 4.03Å; Q535-F538 HydrophobicContact CB-CZ 3.76Å; Q535-F538 HydrophobicContact CG-CD1 4.12Å; Q535-F538 HydrophobicContact CG-CE1 3.55Å; Q535-F538 HydrophobicContact CG-CE2 4.36Å; Q535-F538 HydrophobicContact CG-CZ 3.67Å; Q535-V562 WeakPolarHBondContact O-CG2 3.42Å
536E92.3Very high93.8Very high121 Ų12149.1 Ų49.157%0.56523%0.232SC*.SBendtrans-53.3-21.6176.559.2164.7-142.500116.9R532 V562R532-E536 HydrophobicContact CG-CB 4.09Å; R532-E536 PolarHBondContact O-N 2.88Å; R532-E536 VanDerWaalsContact O-N 3.16Å; E536-V562 PolarHBondContact O-N 2.67Å
537R93.4Very high93.6Very high103 Ų10351.9 Ų51.939%0.38925%0.247SC..EExtended strand (participates in β ladder)trans-156.8131.7-168.9-163.3179.2-170.8-1794.5113Q535 I539 I559 V560Q535-R537 PolarHBondContact O-N 2.98Å; R537-I539 HydrophobicContact CG-CG1 4.36Å; R537-I559 HydrophobicContact CG-CG2 4.34Å; R537-I559 VanDerWaalsContact NE-CG2 3.27Å; R537-V560 CarbonylContact C-O 3.56Å; R537-V560 WeakPolarHBondContact CA-O 3.11Å
538F93.4Very high93.5Very high15 Ų1551.4 Ų51.47%0.06624%0.244CC..EExtended strand (participates in β ladder)trans-109.8136.4171.8-56-84.6000110.3F514 F515 F530 Q535 V560 V562F514-F538 AromaticContact CD2-CD1 3.98Å; F514-F538 HydrophobicContact CD2-CD1 3.98Å; F514-F538 AromaticContact CD2-CE1 3.65Å; F514-F538 HydrophobicContact CD2-CE1 3.65Å; F514-F538 HydrophobicContact CE2-CE1 4Å; F515-F538 HydrophobicContact CE2-CB 3.86Å; F515-F538 HydrophobicContact CE2-CD1 4.43Å; F515-F538 HydrophobicContact CE2-CD2 4.44Å; F515-F538 AromaticContact CE2-CG 3.97Å; F515-F538 HydrophobicContact CE2-CG 3.97Å; F515-F538 HydrophobicContact CZ-CB 3.95Å; F515-F538 AromaticContact CZ-CD2 3.99Å; F515-F538 HydrophobicContact CZ-CD2 3.99Å; F515-F538 AromaticContact CZ-CG 3.96Å; F515-F538 HydrophobicContact CZ-CG 3.96Å; F530-F538 HydrophobicContact CD1-CD2 4.3Å; F530-F538 AromaticContact CD1-CE2 3.39Å; F530-F538 HydrophobicContact CD1-CE2 3.39Å; F530-F538 AromaticContact CD1-CZ 3.65Å; F530-F538 HydrophobicContact CD1-CZ 3.65Å; F530-F538 HydrophobicContact CE1-CD2 4.07Å; F530-F538 HydrophobicContact CE1-CE1 4.48Å; F530-F538 AromaticContact CE1-CE2 3.55Å; F530-F538 HydrophobicContact CE1-CE2 3.55Å; F530-F538 AromaticContact CE1-CZ 3.81Å; F530-F538 HydrophobicContact CE1-CZ 3.81Å; F530-F538 HydrophobicContact CG-CE2 4.23Å; F530-F538 HydrophobicContact CZ-CE2 4.49Å; Q535-F538 HydrophobicContact CB-CE1 4.03Å; Q535-F538 HydrophobicContact CB-CZ 3.76Å; Q535-F538 HydrophobicContact CG-CD1 4.12Å; Q535-F538 HydrophobicContact CG-CE1 3.55Å; Q535-F538 HydrophobicContact CG-CE2 4.36Å; Q535-F538 HydrophobicContact CG-CZ 3.67Å; F538-V560 HydrophobicContact CB-CB 4.37Å; F538-V560 PolarHBondContact N-O 2.78Å; F538-V560 PolarHBondContact O-N 3.03Å; F538-V562 HydrophobicContact CD2-CG2 4.19Å; F538-V562 HydrophobicContact CE2-CG2 3.65Å
539I94Very high93.3Very high92 Ų9255.2 Ų55.247%0.47227%0.274SS..EExtended strand (participates in β ladder)trans-131.3117.3176.8-55.7178.4000108.5N511 R537 I559N511-I539 PolarHBondContact ND2-O 2.9Å; R537-I539 HydrophobicContact CG-CG1 4.36Å; I539-I559 HydrophobicContact CG1-CG1 4.48Å
540F94.7Very high93.1Very high7 Ų756.1 Ų56.13%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-142.2174.7177.658.1-87.5000110.1L508 N511 A512 F515 L524 V558 V560L508-F540 HydrophobicContact CD2-CD2 3.97Å; L508-F540 HydrophobicContact CD2-CE2 3.59Å; N511-F540 HydrophobicContact CB-CB 4.03Å; A512-F540 HydrophobicContact CB-CB 4.04Å; A512-F540 HydrophobicContact CB-CD1 4.4Å; A512-F540 HydrophobicContact CB-CD2 3.67Å; A512-F540 HydrophobicContact CB-CE2 4.17Å; A512-F540 HydrophobicContact CB-CG 3.79Å; F515-F540 HydrophobicContact CB-CZ 4.42Å; F515-F540 HydrophobicContact CD1-CE1 4.41Å; F515-F540 HydrophobicContact CD1-CZ 4.33Å; F515-F540 HydrophobicContact CD2-CD1 4.09Å; F515-F540 AromaticContact CD2-CE1 3.45Å; F515-F540 HydrophobicContact CD2-CE1 3.45Å; F515-F540 VanDerWaalsContact CD2-CE1 3.45Å; F515-F540 AromaticContact CD2-CZ 3.82Å; F515-F540 HydrophobicContact CD2-CZ 3.82Å; F515-F540 HydrophobicContact CE1-CE1 4.35Å; F515-F540 AromaticContact CE2-CD1 4Å; F515-F540 HydrophobicContact CE2-CD1 4Å; F515-F540 AromaticContact CE2-CE1 3.4Å; F515-F540 HydrophobicContact CE2-CE1 3.4Å; F515-F540 VanDerWaalsContact CE2-CE1 3.4Å; F515-F540 HydrophobicContact CE2-CZ 4.18Å; F515-F540 AromaticContact CG-CE1 3.99Å; F515-F540 HydrophobicContact CG-CE1 3.99Å; F515-F540 AromaticContact CG-CZ 3.92Å; F515-F540 HydrophobicContact CG-CZ 3.92Å; F515-F540 AromaticContact CZ-CE1 3.88Å; F515-F540 HydrophobicContact CZ-CE1 3.88Å; L524-F540 HydrophobicContact CD1-CZ 4.48Å; L524-F540 HydrophobicContact CD2-CZ 4.26Å; F540-V558 HydrophobicContact CD2-CB 3.95Å; F540-V558 HydrophobicContact CD2-CG2 4.28Å; F540-V558 HydrophobicContact CE1-CB 4.21Å; F540-V558 HydrophobicContact CE1-CG1 4.09Å; F540-V558 HydrophobicContact CE2-CB 3.56Å; F540-V558 HydrophobicContact CE2-CG1 3.87Å; F540-V558 HydrophobicContact CE2-CG2 3.83Å; F540-V558 HydrophobicContact CG-CB 4.44Å; F540-V558 HydrophobicContact CZ-CB 3.71Å; F540-V558 HydrophobicContact CZ-CG1 3.53Å; F540-V558 HydrophobicContact CZ-CG2 4.37Å; F540-V558 PolarHBondContact N-O 3.46Å; F540-V558 VanDerWaalsContact N-O 3.13Å; F540-V558 PolarHBondContact O-N 2.78Å; F540-V560 HydrophobicContact CE1-CG2 3.91Å; F540-V560 HydrophobicContact CZ-CG2 4.29Å
541T94.5Very high93Very high45 Ų4558.2 Ų58.228%0.27630%0.295SS..EExtended strand (participates in β ladder)trans-110150.2173.150.60000110.9G509 A556G509-T541 WeakPolarHBondContact CA-O 3.06Å; G509-T541 PolarHBondContact N-O 2.96Å; T541-A556 WeakPolarHBondContact CA-O 3.42Å
542V95.3Very high93Very high0 Ų057.1 Ų57.10%029%0.289CS..EExtended strand (participates in β ladder)trans-109.9138.8161.962.50000107.8F469 I491 L517 Q555 A556 V558F469-V542 HydrophobicContact CE1-CG1 4.02Å; F469-V542 HydrophobicContact CE2-CG1 4.34Å; F469-V542 HydrophobicContact CZ-CG1 3.75Å; F469-V542 HydrophobicContact CZ-CG2 4.25Å; I491-V542 HydrophobicContact CD1-CB 4.25Å; I491-V542 HydrophobicContact CD1-CG1 4.2Å; I491-V542 HydrophobicContact CD1-CG2 4.17Å; I491-V542 HydrophobicContact CG2-CG1 4.11Å; I491-V542 HydrophobicContact CG2-CG2 4.23Å; L517-V542 HydrophobicContact CD2-CG2 3.85Å; V542-Q555 VanDerWaalsContact O-CA 3.25Å; V542-Q555 WeakPolarHBondContact O-CA 3.23Å; V542-A556 HydrophobicContact CG1-CB 3.96Å; V542-A556 PolarHBondContact N-O 2.88Å; V542-A556 PolarHBondContact O-N 2.91Å; V542-V558 HydrophobicContact CB-CG2 4.09Å; V542-V558 HydrophobicContact CG1-CG2 3.79Å
543T94.8Very high93Very high14 Ų1460.3 Ų60.39%0.08631%0.305CS..EExtended strand (participates in β ladder)trans-108.4129.2173.8-52.80000108.4Y506 Q507 Q553 S554 Q555Y506-T543 CarbonylContact C-O 3.53Å; Y506-T543 WeakPolarHBondContact CA-O 3.43Å; Q507-T543 PolarHBondContact N-O 2.85Å; Q507-T543 PolarHBondContact O-N 3.47Å; T543-Q553 HydrophobicContact CG2-CB 4.05Å; T543-S554 WeakPolarHBondContact CA-O 3.15Å; T543-S554 WeakPolarHBondContact CG2-O 3.38Å; T543-Q555 HydrophobicContact CG2-CG 4.1Å; T543-Q555 PolarHBondContact OG1-NE2 2.83Å; T543-Q555 VanDerWaalsContact OG1-NE2 3.11Å
544A95.9Very high93.1Very high0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-100.2139.3162.500000107.6P467 F469 A493 I504 V505 Y506 Q553 S554P467-A544 HydrophobicContact CB-CB 4.17Å; P467-A544 HydrophobicContact CG-CB 4.21Å; F469-A544 HydrophobicContact CE1-CB 3.92Å; F469-A544 HydrophobicContact CE2-CB 3.67Å; F469-A544 HydrophobicContact CZ-CB 3.32Å; A493-A544 HydrophobicContact CB-CB 3.63Å; I504-A544 HydrophobicContact CG2-CB 3.95Å; V505-A544 WeakPolarHBondContact O-CA 3.44Å; Y506-A544 HydrophobicContact CD1-CB 4.13Å; Y506-A544 HydrophobicContact CE1-CB 4.02Å; A544-Q553 CarbonylContact O-C 3.57Å; A544-Q553 WeakPolarHBondContact O-CA 3.31Å; A544-Q553 WeakPolarHBondContact O-CB 3.41Å; A544-S554 PolarHBondContact N-O 2.63Å; A544-S554 PolarHBondContact O-N 2.66Å
545R94.9Very high93.2Very high108 Ų10858.4 Ų58.441%0.40830%0.299SS..EExtended strand (participates in β ladder)trans-148.7139.1-175.3168.1163.7165.9175.5-3.8109.8I504 V505 P551 L552 Q553I504-R545 CarbonylContact C-O 3.57Å; V505-R545 WeakPolarHBondContact CA-O 3.45Å; V505-R545 WeakPolarHBondContact CB-O 2.91Å; V505-R545 PolarHBondContact N-O 3.32Å; V505-R545 PolarHBondContact O-N 3Å; R545-P551 VanDerWaalsContact NH2-CG 3.28Å; R545-L552 WeakPolarHBondContact CA-O 3.31Å; R545-L552 WeakPolarHBondContact CG-O 3.39Å; R545-Q553 HydrophobicContact CB-CB 3.8Å; R545-Q553 HydrophobicContact CG-CB 4.23Å
546D95.3Very high93.3Very high0 Ų054.1 Ų54.10%028%0.28CS..  trans-78.4-176.9175.259.248.2000113.6N463 N501 G548 P551 L552N463-D546 PolarHBondContact ND2-OD2 3.47Å; N501-D546 WeakPolarHBondContact O-CB 3.49Å; D546-G548 WeakPolarHBondContact OD1-CA 3.43Å; D546-G548 PolarHBondContact OD1-N 2.78Å; D546-P551 WeakPolarHBondContact OD1-CA 3.27Å; D546-P551 WeakPolarHBondContact OD1-CB 3.46Å; D546-L552 VanDerWaalsContact CG-N 3.33Å; D546-L552 PolarHBondContact N-O 3.44Å; D546-L552 PolarHBondContact OD1-N 2.95Å; D546-L552 VanDerWaalsContact OD2-CA 3.24Å; D546-L552 WeakPolarHBondContact OD2-CA 3.47Å; D546-L552 VanDerWaalsContact OD2-CB 3.25Å; D546-L552 WeakPolarHBondContact OD2-CB 3.24Å; D546-L552 PolarHBondContact OD2-N 2.76Å
547N91.6Very high93.4Very high58 Ų5849.9 Ų49.931%0.3127%0.265SS..SBendtrans-109.132.3165.7-68.4-55.7000112.1K500 D503K500-N547 CarbonylContact O-C 3.56Å; K500-N547 PolarHBondContact O-N 2.83Å; D503-N547 HydrophobicContact CB-CB 4.29Å; D503-N547 VanDerWaalsContact CG-ND2 3.27Å; D503-N547 PolarHBondContact O-N 2.81Å; D503-N547 PolarHBondContact O-ND2 3.05Å; D503-N547 PolarHBondContact OD2-ND2 3.3Å
548G89.6Confident93.5Very high6 Ų645 Ų456%0.06225%0.246CC..  trans-67.8179.3177.200000116.3N463 D546N463-G548 WeakPolarHBondContact OD1-CA 3.41Å; D546-G548 WeakPolarHBondContact OD1-CA 3.43Å; D546-G548 PolarHBondContact OD1-N 2.78Å
549T86.1Confident93.6Very high132 Ų13245.1 Ų45.181%0.8125%0.248SC*.SBendtrans-149.997.5176.7-58.40000111.6
550P90.7Very high93.6Very high94 Ų9440.8 Ų40.861%0.6123%0.225SC*.SBendcis-69.2145.2-1.631.4-35.7000111.7
551P92.1Very high93.6Very high46 Ų4643.1 Ų43.130%0.29924%0.241SC..PPolyproline II helixtrans-80.1135.6179.929.9-32.5000112.2R545 D546R545-P551 VanDerWaalsContact NH2-CG 3.28Å; D546-P551 WeakPolarHBondContact OD1-CA 3.27Å; D546-P551 WeakPolarHBondContact OD1-CB 3.46Å
552L93.6Very high93.6Very high52 Ų5241.3 Ų41.327%0.27223%0.229SC..PPolyproline II helixtrans-96.6165.1176.5-55.5179.4000111.1D464 N465 P466 R545 D546D464-L552 WeakPolarHBondContact O-CD1 3.18Å; N465-L552 WeakPolarHBondContact O-CD1 3.37Å; P466-L552 HydrophobicContact CB-CB 3.98Å; P466-L552 HydrophobicContact CB-CD1 4.41Å; R545-L552 WeakPolarHBondContact CA-O 3.31Å; R545-L552 WeakPolarHBondContact CG-O 3.39Å; D546-L552 VanDerWaalsContact CG-N 3.33Å; D546-L552 PolarHBondContact N-O 3.44Å; D546-L552 PolarHBondContact OD1-N 2.95Å; D546-L552 VanDerWaalsContact OD2-CA 3.24Å; D546-L552 WeakPolarHBondContact OD2-CA 3.47Å; D546-L552 VanDerWaalsContact OD2-CB 3.25Å; D546-L552 WeakPolarHBondContact OD2-CB 3.24Å; D546-L552 PolarHBondContact OD2-N 2.76Å
553Q94.6Very high93.5Very high98 Ų9844.9 Ų44.946%0.45825%0.248SC..EExtended strand (participates in β ladder)trans-163.5146.1-176.446.3166.783.900112.9T543 A544 R545T543-Q553 HydrophobicContact CG2-CB 4.05Å; A544-Q553 CarbonylContact O-C 3.57Å; A544-Q553 WeakPolarHBondContact O-CA 3.31Å; A544-Q553 WeakPolarHBondContact O-CB 3.41Å; R545-Q553 HydrophobicContact CB-CB 3.8Å; R545-Q553 HydrophobicContact CG-CB 4.23Å
554S94.6Very high93.4Very high30 Ų3046 Ų4621%0.2125%0.253CS..EExtended strand (participates in β ladder)trans-121.417117084.10000111.8P467 F469 T543 A544P467-S554 WeakPolarHBondContact O-CB 3.49Å; P467-S554 PolarHBondContact O-OG 3.43Å; F469-S554 VanDerWaalsContact CD2-OG 3.29Å; F469-S554 WeakPolarHBondContact CD2-OG 3.13Å; F469-S554 WeakPolarHBondContact CE2-OG 3.1Å; T543-S554 WeakPolarHBondContact CA-O 3.15Å; T543-S554 WeakPolarHBondContact CG2-O 3.38Å; A544-S554 PolarHBondContact N-O 2.63Å; A544-S554 PolarHBondContact O-N 2.66Å
555Q94.5Very high93.2Very high114 Ų11450.1 Ų50.153%0.53327%0.273SS..EExtended strand (participates in β ladder)trans-136.6138.3178.2-64.5-171.6-11.200111.7V542 T543V542-Q555 VanDerWaalsContact O-CA 3.25Å; V542-Q555 WeakPolarHBondContact O-CA 3.23Å; T543-Q555 HydrophobicContact CG2-CG 4.1Å; T543-Q555 PolarHBondContact OG1-NE2 2.83Å; T543-Q555 VanDerWaalsContact OG1-NE2 3.11Å
556A93.9Very high93.1Very high2 Ų246.2 Ų46.22%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-115.3148167.600000110.3F469 I474 T541 V542F469-A556 HydrophobicContact CB-CB 4.1Å; F469-A556 HydrophobicContact CD1-CB 4.34Å; F469-A556 HydrophobicContact CD2-CB 3.6Å; F469-A556 HydrophobicContact CE2-CB 4.04Å; F469-A556 HydrophobicContact CG-CB 3.76Å; I474-A556 HydrophobicContact CD1-CB 4.32Å; I474-A556 HydrophobicContact CG1-CB 4.49Å; T541-A556 WeakPolarHBondContact CA-O 3.42Å; V542-A556 HydrophobicContact CG1-CB 3.96Å; V542-A556 PolarHBondContact N-O 2.88Å; V542-A556 PolarHBondContact O-N 2.91Å
557A94.5Very high92.9Very high31 Ų3149.1 Ų49.126%0.25628%0.275SS..EExtended strand (participates in β ladder)trans-86.3121.6173.100000109.8P472 V473 I474P472-A557 PolarHBondContact O-N 3.18Å; V473-A557 CarbonylContact C-O 3.53Å; V473-A557 VanDerWaalsContact CA-O 3.29Å; V473-A557 WeakPolarHBondContact CA-O 3.47Å; V473-A557 HydrophobicContact CG2-CB 4.47Å; I474-A557 PolarHBondContact N-O 3.38Å
558V94.9Very high92.9Very high0 Ų048.7 Ų48.70%027%0.273CS..EExtended strand (participates in β ladder)trans-95.9127.1173.1-171.90000108.4L476 I491 L524 F540 V542 V560L476-V558 HydrophobicContact CD1-CG1 3.93Å; I491-V558 HydrophobicContact CD1-CG2 4.1Å; L524-V558 HydrophobicContact CD2-CG1 4.34Å; F540-V558 HydrophobicContact CD2-CB 3.95Å; F540-V558 HydrophobicContact CD2-CG2 4.28Å; F540-V558 HydrophobicContact CE1-CB 4.21Å; F540-V558 HydrophobicContact CE1-CG1 4.09Å; F540-V558 HydrophobicContact CE2-CB 3.56Å; F540-V558 HydrophobicContact CE2-CG1 3.87Å; F540-V558 HydrophobicContact CE2-CG2 3.83Å; F540-V558 HydrophobicContact CG-CB 4.44Å; F540-V558 HydrophobicContact CZ-CB 3.71Å; F540-V558 HydrophobicContact CZ-CG1 3.53Å; F540-V558 HydrophobicContact CZ-CG2 4.37Å; F540-V558 PolarHBondContact N-O 3.46Å; F540-V558 VanDerWaalsContact N-O 3.13Å; F540-V558 PolarHBondContact O-N 2.78Å; V542-V558 HydrophobicContact CB-CG2 4.09Å; V542-V558 HydrophobicContact CG1-CG2 3.79Å; V558-V560 HydrophobicContact CG1-CG2 4.11Å
559I94.7Very high93.1Very high19 Ų1950.7 Ų50.710%0.09729%0.286CS..EExtended strand (participates in β ladder)trans-119.8111.2179.5-59.5-175.2000107.2V473 I474 E475 L476 R537 I539V473-I559 HydrophobicContact CG1-CD1 3.55Å; V473-I559 HydrophobicContact CG1-CG1 3.97Å; I474-I559 PolarHBondContact O-N 2.79Å; E475-I559 HydrophobicContact CG-CB 4.43Å; L476-I559 PolarHBondContact N-O 3.01Å; R537-I559 HydrophobicContact CG-CG2 4.34Å; R537-I559 VanDerWaalsContact NE-CG2 3.27Å; I539-I559 HydrophobicContact CG1-CG1 4.48Å
560V94.7Very high93.5Very high0 Ų044.5 Ų44.50%025%0.248CC..EExtended strand (participates in β ladder)trans-106.1113.6175.8-173.30000108.2L476 V478 F515 R537 F538 F540 V558L476-V560 HydrophobicContact CB-CG2 4.33Å; L476-V560 HydrophobicContact CD1-CG2 4.27Å; L476-V560 WeakPolarHBondContact O-CA 3.44Å; V478-V560 HydrophobicContact CB-CG1 4.45Å; V478-V560 HydrophobicContact CG1-CG1 3.66Å; F515-V560 HydrophobicContact CE1-CB 4.28Å; F515-V560 HydrophobicContact CE1-CG1 4.17Å; F515-V560 HydrophobicContact CE1-CG2 3.81Å; F515-V560 HydrophobicContact CZ-CB 4.03Å; F515-V560 HydrophobicContact CZ-CG1 4.22Å; F515-V560 HydrophobicContact CZ-CG2 3.83Å; R537-V560 CarbonylContact C-O 3.56Å; R537-V560 WeakPolarHBondContact CA-O 3.11Å; F538-V560 HydrophobicContact CB-CB 4.37Å; F538-V560 PolarHBondContact N-O 2.78Å; F538-V560 PolarHBondContact O-N 3.03Å; F540-V560 HydrophobicContact CE1-CG2 3.91Å; F540-V560 HydrophobicContact CZ-CG2 4.29Å; V558-V560 HydrophobicContact CG1-CG2 4.11Å
561T94.6Very high93.5Very high57 Ų5747 Ų4735%0.3525%0.25SC..EExtended strand (participates in β ladder)trans-93.2127.7172.5-55.80000108.7L476 S477 V478L476-T561 PolarHBondContact O-N 3.46Å; S477-T561 WeakPolarHBondContact CA-O 2.97Å; V478-T561 PolarHBondContact N-O 3.21Å; V478-T561 VanDerWaalsContact N-O 3.07Å
562V94.9Very high93.6Very high6 Ų645.8 Ų45.84%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-81.7127.4172.9-174.40000108.2V478 E480 F530 R532 Q535 E536 F538V478-V562 HydrophobicContact CG1-CG2 4.46Å; V478-V562 CarbonylContact O-C 3.4Å; V478-V562 VanDerWaalsContact O-CA 3.3Å; V478-V562 WeakPolarHBondContact O-CA 3.34Å; E480-V562 HydrophobicContact CB-CG1 3.68Å; F530-V562 HydrophobicContact CB-CG1 4.23Å; F530-V562 HydrophobicContact CB-CG2 4.16Å; F530-V562 HydrophobicContact CG-CG2 4.42Å; R532-V562 HydrophobicContact CB-CB 4.37Å; R532-V562 HydrophobicContact CB-CG1 3.83Å; R532-V562 HydrophobicContact CG-CB 4.05Å; R532-V562 HydrophobicContact CG-CG1 4.01Å; Q535-V562 WeakPolarHBondContact O-CG2 3.42Å; E536-V562 PolarHBondContact O-N 2.67Å; F538-V562 HydrophobicContact CD2-CG2 4.19Å; F538-V562 HydrophobicContact CE2-CG2 3.65Å
563L93.2Very high93.4Very high76 Ų7646.7 Ų46.740%0.39825%0.247SC..EExtended strand (participates in β ladder)trans-88.1142.8175.3-53.8-179.7000110.1V478 E480V478-L563 PolarHBondContact O-N 2.77Å; E480-L563 PolarHBondContact N-O 2.78Å; E480-L563 VanDerWaalsContact N-O 3.11Å
564D93.3Very high93.2Very high37 Ų3747.2 Ų47.220%0.19825%0.25CC..PPolyproline II helixtrans-76.9126.6-176.8-169.185.7000111.5E480 R532 A601 N604E480-D564 VanDerWaalsContact OE1-CA 3.28Å; E480-D564 WeakPolarHBondContact OE1-CA 2.96Å; R532-D564 IonicContact CZ-OD1 2.78Å; R532-D564 IonicContact NE-OD1 3.24Å; R532-D564 PolarHBondContact NE-OD1 2.98Å; R532-D564 IonicContact NH2-OD1 2.7Å; R532-D564 PolarHBondContact NH2-OD1 3.24Å; D564-A601 HydrophobicContact CB-CB 4.08Å; D564-A601 VanDerWaalsContact CG-N 3.25Å; D564-A601 VanDerWaalsContact OD1-CB 3.3Å; D564-A601 WeakPolarHBondContact OD1-CB 3.32Å; D564-A601 PolarHBondContact OD1-N 2.96Å; D564-A601 PolarHBondContact OD2-N 3.02Å; D564-A601 VanDerWaalsContact OD2-N 3.12Å; D564-N604 WeakPolarHBondContact OD2-CB 3.12Å; D564-N604 PolarHBondContact OD2-ND2 2.9Å
565E91.6Very high93Very high87 Ų8752.5 Ų52.541%0.40728%0.275SS..  trans-113.4153169.8-60.3-76.2160.700108.4S479 E480 D567S479-E565 WeakPolarHBondContact CB-OE1 2.99Å; S479-E565 PolarHBondContact OG-OE1 3.39Å; E480-E565 HydrophobicContact CG-CB 3.95Å; E480-E565 HydrophobicContact CG-CG 3.9Å; E480-E565 PolarHBondContact OE1-N 2.86Å; E565-D567 PolarHBondContact O-N 2.77Å
566N92.5Very high92.9Very high25 Ų2550.2 Ų50.213%0.13426%0.264CS..SBendtrans-75.470.1-175.1-15840.2000111.6D600 N604 D649 P653 R655N566-D600 WeakPolarHBondContact CA-OD2 3.42Å; N566-D600 PolarHBondContact OD1-OD2 3.06Å; N566-N604 HydrophobicContact CB-CB 4.44Å; N566-N604 VanDerWaalsContact OD1-CB 3.29Å; N566-N604 WeakPolarHBondContact OD1-CB 3.5Å; N566-D649 PolarHBondContact ND2-OD1 2.86Å; N566-P653 PolarHBondContact ND2-O 3.32Å; N566-R655 WeakPolarHBondContact O-CD 3Å; N566-R655 PolarHBondContact O-NH1 3.49Å
567D91.7Very high92.9Very high61 Ų6150.9 Ų50.933%0.32627%0.267SS..  trans-91.8-32.9-165.8179.8-82000112.9N481 E565 D600 R655N481-D567 PolarHBondContact ND2-OD2 2.99Å; E565-D567 PolarHBondContact O-N 2.77Å; D567-D600 PolarHBondContact N-OD2 3.32Å; D567-R655 PolarHBondContact O-NH1 2.92Å; D567-R655 PolarHBondContact O-NH2 3.29Å
568N91.5Very high92.9Very high50 Ų5054.6 Ų54.627%0.26728%0.279SS..SBendtrans-98.2-178176-65.9-91.7000111.9D598 A599 D600 R655N568-D598 WeakPolarHBondContact CB-OD1 3.47Å; N568-A599 HydrophobicContact CB-CB 3.92Å; N568-D600 WeakPolarHBondContact CB-OD1 3.47Å; N568-D600 PolarHBondContact N-OD1 2.8Å; N568-D600 VanDerWaalsContact N-OD1 3.17Å; N568-D600 PolarHBondContact N-OD2 2.67Å; N568-D600 VanDerWaalsContact N-OD2 3.1Å; N568-D600 PolarHBondContact ND2-OD1 3.44Å; N568-R655 VanDerWaalsContact C-NH2 3.3Å; N568-R655 VanDerWaalsContact O-CD 3.25Å; N568-R655 WeakPolarHBondContact O-CD 3.37Å; N568-R655 PolarHBondContact O-NE 2.9Å; N568-R655 PolarHBondContact O-NH2 3.32Å
569S92.3Very high92.9Very high48 Ų4856.3 Ų56.334%0.33629%0.287SS..  trans-138.5145.6179.7-61.60000109.4K571 R655S569-K571 PolarHBondContact O-N 2.87Å; S569-R655 PolarHBondContact OG-NE 2.88Å; S569-R655 PolarHBondContact OG-NH2 3.19Å
570P94.7Very high92.8Very high1 Ų161.3 Ų61.31%0.00631%0.308CS..  trans-53.3123.7-175-31.734.6000112V596 D598 V607 A647 D649 S657P570-V596 HydrophobicContact CB-CG1 3.89Å; P570-D598 WeakPolarHBondContact CA-OD2 3.22Å; P570-D598 WeakPolarHBondContact CD-OD2 3.13Å; P570-D598 VanDerWaalsContact CG-OD2 3.29Å; P570-D598 WeakPolarHBondContact CG-OD2 3.26Å; P570-V607 HydrophobicContact CB-CG1 3.81Å; P570-V607 HydrophobicContact CG-CG1 3.88Å; P570-A647 HydrophobicContact CB-CB 3.65Å; P570-D649 WeakPolarHBondContact CD-OD2 3.39Å; P570-D649 HydrophobicContact CG-CB 4.05Å; P570-D649 WeakPolarHBondContact CG-OD2 3.33Å; P570-S657 WeakPolarHBondContact O-CB 3.31Å; P570-S657 PolarHBondContact O-OG 2.94Å
571K92.1Very high92.8Very high148 Ų14861.7 Ų61.764%0.64331%0.31SS*.EExtended strand (participates in β ladder)trans-113.9114.8-173-168.9176.1-178.4177.70112S569 V596 T597S569-K571 PolarHBondContact O-N 2.87Å; K571-V596 WeakPolarHBondContact O-CA 3.3Å; K571-T597 WeakPolarHBondContact CB-O 3.19Å; K571-T597 PolarHBondContact N-O 3.12Å; K571-T597 PolarHBondContact O-N 2.91Å; K571-T597 PolarHBondContact O-OG1 2.99Å
572F93.3Very high92.6Very high20 Ų2060.7 Ų60.79%0.08831%0.305CS..EExtended strand (participates in β ladder)trans-65.3144.5168.5-68.5-88.8000111.1H574 F577 I594 T595 V596 V645 A647 S657 A659F572-H574 VanDerWaalsContact CB-O 3.29Å; F572-H574 WeakPolarHBondContact CB-O 3.44Å; F572-H574 PolarHBondContact O-N 3.3Å; F572-F577 HydrophobicContact CB-CE2 4.22Å; F572-F577 AromaticContact CD1-CE2 3.85Å; F572-F577 HydrophobicContact CD1-CE2 3.85Å; F572-F577 HydrophobicContact CD1-CZ 4.34Å; F572-F577 HydrophobicContact CG-CE2 4.41Å; F572-I594 HydrophobicContact CE1-CD1 4.26Å; F572-T595 WeakPolarHBondContact CA-O 3.44Å; F572-V596 HydrophobicContact CD1-CG2 3.32Å; F572-V596 HydrophobicContact CD2-CG2 4.37Å; F572-V596 HydrophobicContact CE1-CG2 3.34Å; F572-V596 HydrophobicContact CE2-CG2 4.39Å; F572-V596 HydrophobicContact CG-CG2 3.86Å; F572-V596 HydrophobicContact CZ-CG2 3.92Å; F572-V645 HydrophobicContact CD1-CG2 4.47Å; F572-V645 HydrophobicContact CE1-CB 4.5Å; F572-V645 HydrophobicContact CE1-CG2 3.6Å; F572-V645 HydrophobicContact CZ-CB 4.44Å; F572-V645 HydrophobicContact CZ-CG2 3.81Å; F572-A647 HydrophobicContact CE2-CB 3.87Å; F572-A647 HydrophobicContact CZ-CB 3.77Å; F572-S657 VanDerWaalsContact CD2-OG 3.28Å; F572-S657 WeakPolarHBondContact CD2-OG 3.35Å; F572-S657 VanDerWaalsContact CE2-OG 3.3Å; F572-S657 WeakPolarHBondContact CE2-OG 3.21Å; F572-A659 HydrophobicContact CB-CB 4.05Å; F572-A659 HydrophobicContact CD1-CB 3.79Å; F572-A659 HydrophobicContact CD2-CB 3.68Å; F572-A659 HydrophobicContact CE1-CB 4.15Å; F572-A659 HydrophobicContact CE2-CB 4.05Å; F572-A659 HydrophobicContact CG-CB 3.55Å; F572-A659 HydrophobicContact CZ-CB 4.27Å
573T89.9Confident92.5Very high70 Ų7060.9 Ų60.943%0.42931%0.306SS..SBendtrans-63.1-29.5173.351.70000112.9F577 T595T573-F577 WeakPolarHBondContact OG1-CZ 3.1Å; T573-T595 WeakPolarHBondContact CG2-OG1 3.34Å; T573-T595 PolarHBondContact N-O 3.28Å; T573-T595 PolarHBondContact OG1-O 3.31Å; T573-T595 PolarHBondContact OG1-OG1 3.47Å
574H89.3Confident92.3Very high110 Ų11062.2 Ų62.251%0.50931%0.313SS..  trans-134.8141.1177.5-56.280.3000109.5F572 H576 F577F572-H574 VanDerWaalsContact CB-O 3.29Å; F572-H574 WeakPolarHBondContact CB-O 3.44Å; F572-H574 PolarHBondContact O-N 3.3Å; H574-H576 PolarHBondContact O-N 3.28Å; H574-F577 HydrophobicContact CB-CD1 4.33Å; H574-F577 HydrophobicContact CB-CD2 4.41Å; H574-F577 HydrophobicContact CB-CE1 4.07Å; H574-F577 HydrophobicContact CB-CE2 4.14Å; H574-F577 HydrophobicContact CB-CZ 3.96Å; H574-F577 AromaticContact ND1-CE1 3.66Å; H574-F577 WeakPolarHBondContact O-CE2 3.39Å
575N89.9Confident92.1Very high141 Ų14162.4 Ų62.475%0.75431%0.314SS*.SBendtrans-71.6-21.2171.463.7-25.7000112.5A659 K660N575-A659 WeakPolarHBondContact O-CA 3.19Å; N575-K660 PolarHBondContact O-N 2.82Å
576H93.6Very high92Very high65 Ų6562.6 Ų62.630%0.30132%0.323SS..EExtended strand (participates in β ladder)trans-140.9124.1178.1-177.833.1000110.2H574 Q578 K660 T662H574-H576 PolarHBondContact O-N 3.28Å; H576-Q578 WeakPolarHBondContact NE2-CG 3.35Å; H576-Q578 PolarHBondContact NE2-NE2 2.93Å; H576-K660 CarbonylContact C-O 3.51Å; H576-K660 VanDerWaalsContact CA-O 3.27Å; H576-K660 WeakPolarHBondContact CA-O 3.38Å; H576-K660 PolarHBondContact ND1-O 3.01Å; H576-T662 PolarHBondContact CE1-OG1 3.07Å
577F93.8Very high91.8Very high16 Ų1665.6 Ų65.67%0.0734%0.335CS..EExtended strand (participates in β ladder)trans-103.4134.7172.9-64.7-94.7000109.6F572 T573 H574 F579 I594 A659 K660 V661 T662F572-F577 HydrophobicContact CB-CE2 4.22Å; F572-F577 AromaticContact CD1-CE2 3.85Å; F572-F577 HydrophobicContact CD1-CE2 3.85Å; F572-F577 HydrophobicContact CD1-CZ 4.34Å; F572-F577 HydrophobicContact CG-CE2 4.41Å; T573-F577 WeakPolarHBondContact OG1-CZ 3.1Å; H574-F577 HydrophobicContact CB-CD1 4.33Å; H574-F577 HydrophobicContact CB-CD2 4.41Å; H574-F577 HydrophobicContact CB-CE1 4.07Å; H574-F577 HydrophobicContact CB-CE2 4.14Å; H574-F577 HydrophobicContact CB-CZ 3.96Å; H574-F577 AromaticContact ND1-CE1 3.66Å; H574-F577 WeakPolarHBondContact O-CE2 3.39Å; F577-F579 HydrophobicContact CB-CE2 3.91Å; F577-F579 HydrophobicContact CB-CZ 4.05Å; F577-F579 HydrophobicContact CD1-CZ 4.22Å; F577-F579 HydrophobicContact CG-CZ 4.47Å; F577-I594 HydrophobicContact CB-CG2 4.44Å; F577-I594 HydrophobicContact CD1-CG2 4.02Å; F577-I594 HydrophobicContact CD2-CG2 3.83Å; F577-I594 HydrophobicContact CE1-CB 4.43Å; F577-I594 HydrophobicContact CE1-CG2 4.18Å; F577-I594 HydrophobicContact CE2-CB 4.33Å; F577-I594 HydrophobicContact CE2-CG2 4.01Å; F577-I594 HydrophobicContact CG-CG2 3.84Å; F577-I594 HydrophobicContact CZ-CB 4.22Å; F577-I594 HydrophobicContact CZ-CG2 4.18Å; F577-A659 HydrophobicContact CD2-CB 4.35Å; F577-A659 HydrophobicContact CE2-CB 4.14Å; F577-K660 PolarHBondContact N-O 2.95Å; F577-V661 HydrophobicContact CB-CG2 4.4Å; F577-T662 PolarHBondContact O-N 2.95Å
578Q94.4Very high91.7Very high110 Ų11069.7 Ų69.751%0.51435%0.347SS..EExtended strand (participates in β ladder)trans-120124.5172.8-66.4-173.9-2.500109.5H576 F580 T662H576-Q578 WeakPolarHBondContact NE2-CG 3.35Å; H576-Q578 PolarHBondContact NE2-NE2 2.93Å; Q578-F580 HydrophobicContact CB-CE2 4.4Å; Q578-T662 WeakPolarHBondContact CA-O 3Å
579F95.1Very high91.7Very high35 Ų3568.7 Ų68.715%0.15434%0.344CS..EExtended strand (participates in β ladder)trans-117.8151174.5-57.8-64.7000109.9F577 V591 I594 I627 V661 T662 I663 N664F577-F579 HydrophobicContact CB-CE2 3.91Å; F577-F579 HydrophobicContact CB-CZ 4.05Å; F577-F579 HydrophobicContact CD1-CZ 4.22Å; F577-F579 HydrophobicContact CG-CZ 4.47Å; F579-V591 HydrophobicContact CB-CG1 4.03Å; F579-V591 HydrophobicContact CG-CG1 4.46Å; F579-I594 HydrophobicContact CE2-CG2 4.31Å; F579-I594 HydrophobicContact CZ-CG2 4.29Å; F579-I627 HydrophobicContact CE2-CD1 4.1Å; F579-V661 HydrophobicContact CD2-CG1 3.87Å; F579-V661 HydrophobicContact CE2-CG1 3.88Å; F579-T662 PolarHBondContact N-O 2.96Å; F579-I663 HydrophobicContact CB-CG1 4.28Å; F579-I663 HydrophobicContact CD2-CG1 4.26Å; F579-I663 WeakPolarHBondContact O-CA 3Å; F579-N664 PolarHBondContact O-N 3.38Å
580F93.5Very high91.8Very high124 Ų12470 Ų7054%0.54435%0.35SS..EExtended strand (participates in β ladder)trans-125.1124.5179.3-66.3-92.2000108.5Q578 N664 M666Q578-F580 HydrophobicContact CB-CE2 4.4Å; F580-N664 WeakPolarHBondContact CA-O 3.36Å; F580-N664 HydrophobicContact CD1-CB 3.77Å; F580-N664 HydrophobicContact CE1-CB 3.87Å; F580-N664 WeakPolarHBondContact CE1-ND2 3.3Å; F580-M666 HydrophobicContact CB-CG 4.22Å; F580-M666 HydrophobicContact CB-SD 3.89Å; F580-M666 HydrophobicContact CD1-CG 4.46Å
581V93.3Very high91.6Very high8 Ų870.6 Ų70.65%0.04835%0.353CS..EExtended strand (participates in β ladder)trans-127.9138.4-176.4-680000110.3L585 V591 F633 I663 N664 V665 M666V581-L585 HydrophobicContact CB-CD2 3.65Å; V581-L585 HydrophobicContact CG1-CD2 3.55Å; V581-V591 HydrophobicContact CG1-CB 4.26Å; V581-V591 HydrophobicContact CG1-CG1 3.7Å; V581-V591 HydrophobicContact CG1-CG2 4.25Å; V581-F633 HydrophobicContact CG2-CD1 4.44Å; V581-F633 HydrophobicContact CG2-CD2 4.39Å; V581-F633 HydrophobicContact CG2-CE1 4.26Å; V581-F633 HydrophobicContact CG2-CE2 4.21Å; V581-F633 HydrophobicContact CG2-CG 4.5Å; V581-F633 HydrophobicContact CG2-CZ 4.13Å; V581-I663 HydrophobicContact CG1-CG2 4.29Å; V581-I663 HydrophobicContact CG2-CG2 3.64Å; V581-N664 PolarHBondContact N-O 3.04Å; V581-V665 HydrophobicContact CG2-CG2 4.34Å; V581-V665 CarbonylContact O-C 3.5Å; V581-V665 WeakPolarHBondContact O-CA 3.11Å; V581-M666 PolarHBondContact O-N 2.97Å
582S91.5Very high91.6Very high36 Ų3664 Ų6425%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-66.7143.8169.3-167.20000109.7N584 L585 V668S582-N584 VanDerWaalsContact C-N 3.34Å; S582-N584 WeakPolarHBondContact CB-OD1 3.38Å; S582-N584 PolarHBondContact O-N 3.47Å; S582-N584 PolarHBondContact OG-OD1 3.28Å; S582-L585 WeakPolarHBondContact O-CB 3.43Å; S582-L585 PolarHBondContact O-N 2.89Å; S582-L585 VanDerWaalsContact O-N 3.1Å; S582-V668 WeakPolarHBondContact OG-CG2 3.46Å
583E91.8Very high91.6Very high10 Ų1066.4 Ų66.45%0.04734%0.344CS..THydrogen-bonded Turntrans-67.6-35.6-179.266.5-155.911300113.9L585 F633 R635 V665 M666 D667 V668E583-L585 PolarHBondContact O-N 3.43Å; E583-F633 HydrophobicContact CB-CB 4.17Å; E583-R635 WeakPolarHBondContact OE2-CB 3.35Å; E583-R635 PolarHBondContact OE2-N 3.18Å; E583-V665 HydrophobicContact CB-CG1 3.49Å; E583-V665 VanDerWaalsContact CB-CG1 3.49Å; E583-M666 PolarHBondContact N-O 3.04Å; E583-M666 VanDerWaalsContact N-O 3.14Å; E583-D667 VanDerWaalsContact OE1-CA 3.25Å; E583-D667 WeakPolarHBondContact OE1-CA 3.29Å; E583-V668 HydrophobicContact CG-CB 4.06Å; E583-V668 HydrophobicContact CG-CG2 3.99Å; E583-V668 PolarHBondContact OE1-N 3.36Å
584N89Confident91.7Very high104 Ų10463.2 Ų63.256%0.55632%0.324SS*.THydrogen-bonded Turntrans-67.38171.369.19.2000114.6S582 P586S582-N584 VanDerWaalsContact C-N 3.34Å; S582-N584 WeakPolarHBondContact CB-OD1 3.38Å; S582-N584 PolarHBondContact O-N 3.47Å; S582-N584 PolarHBondContact OG-OD1 3.28Å; N584-P586 WeakPolarHBondContact O-CD 3.47Å
585L89.8Confident91.8Very high41 Ų4161.2 Ų61.222%0.21532%0.319CS..PPolyproline II helixtrans-64.5119.3175.917866.2000110.4V581 S582 E583 S589 F633V581-L585 HydrophobicContact CB-CD2 3.65Å; V581-L585 HydrophobicContact CG1-CD2 3.55Å; S582-L585 WeakPolarHBondContact O-CB 3.43Å; S582-L585 PolarHBondContact O-N 2.89Å; S582-L585 VanDerWaalsContact O-N 3.1Å; E583-L585 PolarHBondContact O-N 3.43Å; L585-S589 WeakPolarHBondContact CD1-OG 3.27Å; L585-S589 WeakPolarHBondContact CG-OG 3.46Å; L585-F633 HydrophobicContact CB-CD2 4.25Å; L585-F633 HydrophobicContact CB-CE2 4.47Å; L585-F633 HydrophobicContact CD2-CE2 3.96Å; L585-F633 HydrophobicContact CG-CE2 4.46Å
586P89.4Confident91.9Very high91 Ų9155.7 Ų55.759%0.59129%0.291SS*.PPolyproline II helixtrans-60.9149.2-174.6-27.636.6000114.4N584 S589 S629N584-P586 WeakPolarHBondContact O-CD 3.47Å; P586-S589 WeakPolarHBondContact O-CB 3.39Å; P586-S589 PolarHBondContact O-N 2.87Å; P586-S589 PolarHBondContact O-OG 3Å; P586-S629 PolarHBondContact O-OG 3.09Å
587K88.8Confident91.8Very high89 Ų8956.7 Ų56.739%0.38730%0.302SS..THydrogen-bonded Turntrans-54.2141.9173.4-161.9-175.8-171.4-164.20111.5S589 N630K587-S589 PolarHBondContact O-N 2.77Å; K587-N630 WeakPolarHBondContact CE-O 3.35Å; K587-N630 WeakPolarHBondContact CE-OD1 3.49Å; K587-N630 PolarHBondContact NZ-O 3.39Å; K587-N630 PolarHBondContact NZ-OD1 3.15Å
588Y89.6Confident91.7Very high147 Ų14756.7 Ų56.758%0.57630%0.303SS*.THydrogen-bonded Turntrans67.811-179-44.9-60.8000115.8S629 N630Y588-S629 WeakPolarHBondContact CA-O 3.31Å; Y588-S629 WeakPolarHBondContact CD1-O 3.46Å; Y588-S629 PolarHBondContact N-O 3.21Å; Y588-S629 PolarHBondContact N-OG 3.13Å; Y588-N630 WeakPolarHBondContact CE1-OD1 3.34Å
589S91.5Very high91.6Very high28 Ų2853.4 Ų53.420%0.19629%0.294CS..  trans-73.2160.6167.960.80000111.8L585 P586 K587 K628 S629L585-S589 WeakPolarHBondContact CD1-OG 3.27Å; L585-S589 WeakPolarHBondContact CG-OG 3.46Å; P586-S589 WeakPolarHBondContact O-CB 3.39Å; P586-S589 PolarHBondContact O-N 2.87Å; P586-S589 PolarHBondContact O-OG 3Å; K587-S589 PolarHBondContact O-N 2.77Å; S589-K628 WeakPolarHBondContact O-CA 3.34Å; S589-K628 WeakPolarHBondContact O-CB 3.36Å; S589-S629 PolarHBondContact O-N 3.17Å; S589-S629 VanDerWaalsContact O-N 3.09Å
590T93Very high91.6Very high75 Ų7551.7 Ų51.746%0.4629%0.287SS..EExtended strand (participates in β ladder)trans-77125.2174.1-62.40000110.6V626 I627T590-V626 HydrophobicContact CG2-CG1 3.73Å; T590-I627 WeakPolarHBondContact CA-O 3.21Å
591V91.8Very high91.4Very high14 Ų1447.5 Ų47.59%0.08527%0.274CS..EExtended strand (participates in β ladder)trans-87.6-38.4174.3172.80000111.4F579 V581 F618 I627 F633 I663F579-V591 HydrophobicContact CB-CG1 4.03Å; F579-V591 HydrophobicContact CG-CG1 4.46Å; V581-V591 HydrophobicContact CG1-CB 4.26Å; V581-V591 HydrophobicContact CG1-CG1 3.7Å; V581-V591 HydrophobicContact CG1-CG2 4.25Å; V591-F618 HydrophobicContact CG2-CD1 4.49Å; V591-F618 HydrophobicContact CG2-CE1 4.38Å; V591-I627 HydrophobicContact CB-CG2 4.28Å; V591-I627 PolarHBondContact N-O 3.39Å; V591-F633 HydrophobicContact CG2-CZ 4.16Å; V591-I663 HydrophobicContact CG1-CB 4.38Å; V591-I663 HydrophobicContact CG1-CD1 3.73Å; V591-I663 HydrophobicContact CG1-CG1 3.69Å; V591-I663 HydrophobicContact CG1-CG2 3.76Å
592G91.8Very high91.2Very high10 Ų1050 Ų5010%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-176179.3-175.600000112.3I627G592-I627 PolarHBondContact N-O 3.34Å; G592-I627 PolarHBondContact O-N 2.75Å
593V93Very high91Very high70 Ų7055 Ų5542%0.42432%0.322SS..EExtended strand (participates in β ladder)trans-134.1128.4175.4-172.10000108.4G625 V626V593-G625 WeakPolarHBondContact CA-O 3.47Å; V593-V626 HydrophobicContact CG1-CG2 4.45Å; V593-V626 HydrophobicContact CG2-CG2 4.08Å
594I92.7Very high91Very high3 Ų355.9 Ų55.92%0.01533%0.327CS..  trans-99.4144.1171.954.2173.5000109.7F572 F577 F579 L609 L620 G625 I627 V645 V661F572-I594 HydrophobicContact CE1-CD1 4.26Å; F577-I594 HydrophobicContact CB-CG2 4.44Å; F577-I594 HydrophobicContact CD1-CG2 4.02Å; F577-I594 HydrophobicContact CD2-CG2 3.83Å; F577-I594 HydrophobicContact CE1-CB 4.43Å; F577-I594 HydrophobicContact CE1-CG2 4.18Å; F577-I594 HydrophobicContact CE2-CB 4.33Å; F577-I594 HydrophobicContact CE2-CG2 4.01Å; F577-I594 HydrophobicContact CG-CG2 3.84Å; F577-I594 HydrophobicContact CZ-CB 4.22Å; F577-I594 HydrophobicContact CZ-CG2 4.18Å; F579-I594 HydrophobicContact CE2-CG2 4.31Å; F579-I594 HydrophobicContact CZ-CG2 4.29Å; I594-L609 HydrophobicContact CD1-CD1 4.43Å; I594-L609 HydrophobicContact CG1-CD1 4.42Å; I594-L620 HydrophobicContact CD1-CD1 3.75Å; I594-L620 HydrophobicContact CD1-CD2 3.92Å; I594-L620 HydrophobicContact CG1-CD1 4.01Å; I594-G625 WeakPolarHBondContact CG1-O 3.27Å; I594-G625 PolarHBondContact N-O 3.36Å; I594-I627 HydrophobicContact CD1-CD1 4.46Å; I594-I627 HydrophobicContact CG1-CD1 4.43Å; I594-I627 HydrophobicContact CG2-CD1 3.86Å; I594-V645 HydrophobicContact CD1-CB 3.97Å; I594-V645 HydrophobicContact CD1-CG1 3.99Å; I594-V645 HydrophobicContact CD1-CG2 3.8Å; I594-V661 HydrophobicContact CG2-CG2 4.19Å
595T91.2Very high91Very high68 Ų6855.5 Ų55.542%0.41732%0.32SS..  trans-125.4133.5-176.946.90000111.2F572 T573F572-T595 WeakPolarHBondContact CA-O 3.44Å; T573-T595 WeakPolarHBondContact CG2-OG1 3.34Å; T573-T595 PolarHBondContact N-O 3.28Å; T573-T595 PolarHBondContact OG1-O 3.31Å; T573-T595 PolarHBondContact OG1-OG1 3.47Å
596V92.2Very high91Very high26 Ų2655.3 Ų55.316%0.15833%0.325CS..EExtended strand (participates in β ladder)trans-130.4142.3-178.6179.80000108.6P570 K571 F572 V607 L609 A647P570-V596 HydrophobicContact CB-CG1 3.89Å; K571-V596 WeakPolarHBondContact O-CA 3.3Å; F572-V596 HydrophobicContact CD1-CG2 3.32Å; F572-V596 HydrophobicContact CD2-CG2 4.37Å; F572-V596 HydrophobicContact CE1-CG2 3.34Å; F572-V596 HydrophobicContact CE2-CG2 4.39Å; F572-V596 HydrophobicContact CG-CG2 3.86Å; F572-V596 HydrophobicContact CZ-CG2 3.92Å; V596-V607 HydrophobicContact CB-CG2 4.33Å; V596-V607 HydrophobicContact CG1-CB 4.33Å; V596-V607 HydrophobicContact CG1-CG1 4.1Å; V596-V607 HydrophobicContact CG1-CG2 4.18Å; V596-L609 HydrophobicContact CB-CD2 4.2Å; V596-L609 HydrophobicContact CG2-CD2 3.66Å; V596-A647 HydrophobicContact CG1-CB 3.86Å; V596-A647 HydrophobicContact CG2-CB 4.08Å
597T91Very high91.1Very high85 Ų8552.6 Ų52.652%0.52131%0.306SS..EExtended strand (participates in β ladder)trans-132.1137.1176.953.50000109.3K571K571-T597 WeakPolarHBondContact CB-O 3.19Å; K571-T597 PolarHBondContact N-O 3.12Å; K571-T597 PolarHBondContact O-N 2.91Å; K571-T597 PolarHBondContact O-OG1 2.99Å
598D92.3Very high91.3Very high17 Ų1751.1 Ų51.19%0.09131%0.305CS..  trans-111.7158163.5-134.3-44.9000111.6N568 P570 K605 V607N568-D598 WeakPolarHBondContact CB-OD1 3.47Å; P570-D598 WeakPolarHBondContact CA-OD2 3.22Å; P570-D598 WeakPolarHBondContact CD-OD2 3.13Å; P570-D598 VanDerWaalsContact CG-OD2 3.29Å; P570-D598 WeakPolarHBondContact CG-OD2 3.26Å; D598-K605 HydrophobicContact CB-CG 4.19Å; D598-K605 WeakPolarHBondContact O-CE 3.39Å; D598-K605 PolarHBondContact O-NZ 2.77Å; D598-V607 HydrophobicContact CB-CG1 4.28Å
599A91.5Very high91.5Very high40 Ų4044.9 Ų44.933%0.33128%0.281SS..SBendtrans-86.9-42.9-178.900000111.6E533 N568 K605E533-A599 HydrophobicContact CG-CB 3.75Å; E533-A599 VanDerWaalsContact OE1-C 3.31Å; E533-A599 VanDerWaalsContact OE1-O 3.13Å; N568-A599 HydrophobicContact CB-CB 3.92Å; A599-K605 VanDerWaalsContact C-NZ 3.28Å; A599-K605 PolarHBondContact O-NZ 3.12Å
600D94.5Very high91.6Very high0 Ų045.7 Ų45.70%029%0.287CS..SBendtrans-55.4176-178.6-57.74.5000113.8R532 N566 D567 N568 N604 K605R532-D600 VanDerWaalsContact NH2-C 3.26Å; N566-D600 WeakPolarHBondContact CA-OD2 3.42Å; N566-D600 PolarHBondContact OD1-OD2 3.06Å; D567-D600 PolarHBondContact N-OD2 3.32Å; N568-D600 WeakPolarHBondContact CB-OD1 3.47Å; N568-D600 PolarHBondContact N-OD1 2.8Å; N568-D600 VanDerWaalsContact N-OD1 3.17Å; N568-D600 PolarHBondContact N-OD2 2.67Å; N568-D600 VanDerWaalsContact N-OD2 3.1Å; N568-D600 PolarHBondContact ND2-OD1 3.44Å; D600-N604 HydrophobicContact CB-CB 3.72Å; D600-K605 WeakPolarHBondContact O-CB 3.5Å; D600-K605 WeakPolarHBondContact O-CD 3.39Å; D600-K605 WeakPolarHBondContact O-CG 3.42Å; D600-K605 PolarHBondContact O-NZ 2.75Å
601A89.3Confident91.5Very high35 Ų3544.3 Ų44.329%0.28928%0.276SS..  trans-112.8170.4-17400000113.3D564 E603 N604 K605D564-A601 HydrophobicContact CB-CB 4.08Å; D564-A601 VanDerWaalsContact CG-N 3.25Å; D564-A601 VanDerWaalsContact OD1-CB 3.3Å; D564-A601 WeakPolarHBondContact OD1-CB 3.32Å; D564-A601 PolarHBondContact OD1-N 2.96Å; D564-A601 PolarHBondContact OD2-N 3.02Å; D564-A601 VanDerWaalsContact OD2-N 3.12Å; A601-E603 PolarHBondContact O-N 3.07Å; A601-N604 WeakPolarHBondContact O-CB 3.36Å; A601-N604 PolarHBondContact O-N 3.48Å; A601-N604 VanDerWaalsContact O-N 3.08Å; A601-K605 PolarHBondContact O-N 3.39Å
602G89Confident91.3Very high62 Ų6246.6 Ų46.664%0.63929%0.288SS*.THydrogen-bonded Turntrans51.7-127.217400000114K605 A606G602-K605 WeakPolarHBondContact O-CB 3.41Å; G602-K605 PolarHBondContact O-N 2.7Å; G602-A606 PolarHBondContact O-N 3.17Å
603E88.9Confident90.7Very high140 Ų14052.5 Ų52.565%0.65432%0.317SS*.THydrogen-bonded Turntrans-76-25.7179.3-57.8-60.7140.700113.2A601 K605 A606 G650A601-E603 PolarHBondContact O-N 3.07Å; E603-K605 PolarHBondContact O-N 2.56Å; E603-A606 WeakPolarHBondContact O-CB 3.17Å; E603-A606 PolarHBondContact O-N 2.97Å; E603-G650 VanDerWaalsContact O-CA 3.3Å; E603-G650 WeakPolarHBondContact O-CA 3.31Å; E603-G650 PolarHBondContact O-N 3.45Å; E603-G650 VanDerWaalsContact O-N 3.11Å
604N90.4Very high89.8Confident29 Ų2950.9 Ų50.916%0.15531%0.306CS..THydrogen-bonded Turntrans-63.6-32.7171.1-63-22000110D564 N566 D600 A601 A606 D649 G651D564-N604 WeakPolarHBondContact OD2-CB 3.12Å; D564-N604 PolarHBondContact OD2-ND2 2.9Å; N566-N604 HydrophobicContact CB-CB 4.44Å; N566-N604 VanDerWaalsContact OD1-CB 3.29Å; N566-N604 WeakPolarHBondContact OD1-CB 3.5Å; D600-N604 HydrophobicContact CB-CB 3.72Å; A601-N604 WeakPolarHBondContact O-CB 3.36Å; A601-N604 PolarHBondContact O-N 3.48Å; A601-N604 VanDerWaalsContact O-N 3.08Å; N604-A606 VanDerWaalsContact C-N 3.33Å; N604-A606 PolarHBondContact O-N 2.93Å; N604-D649 WeakPolarHBondContact O-CB 3.47Å; N604-G651 WeakPolarHBondContact OD1-CA 3.47Å
605K88.6Confident89.1Confident95 Ų9557.4 Ų57.441%0.41334%0.341SS..THydrogen-bonded Turntrans-74-16.5170-149.5177.9-157.567.50115D598 A599 D600 A601 G602 E603 V607D598-K605 HydrophobicContact CB-CG 4.19Å; D598-K605 WeakPolarHBondContact O-CE 3.39Å; D598-K605 PolarHBondContact O-NZ 2.77Å; A599-K605 VanDerWaalsContact C-NZ 3.28Å; A599-K605 PolarHBondContact O-NZ 3.12Å; D600-K605 WeakPolarHBondContact O-CB 3.5Å; D600-K605 WeakPolarHBondContact O-CD 3.39Å; D600-K605 WeakPolarHBondContact O-CG 3.42Å; D600-K605 PolarHBondContact O-NZ 2.75Å; A601-K605 PolarHBondContact O-N 3.39Å; G602-K605 WeakPolarHBondContact O-CB 3.41Å; G602-K605 PolarHBondContact O-N 2.7Å; E603-K605 PolarHBondContact O-N 2.56Å; K605-V607 PolarHBondContact O-N 3.29Å
606A90.2Very high88.6Confident38 Ų3860.4 Ų60.431%0.31436%0.355SS..  trans-81.983.2-165.100000111.6G602 E603 N604 G650G602-A606 PolarHBondContact O-N 3.17Å; E603-A606 WeakPolarHBondContact O-CB 3.17Å; E603-A606 PolarHBondContact O-N 2.97Å; N604-A606 VanDerWaalsContact C-N 3.33Å; N604-A606 PolarHBondContact O-N 2.93Å; A606-G650 PolarHBondContact O-N 2.85Å
607V91.7Very high88.4Confident33 Ų3360.8 Ų60.820%0.236%0.356CS..  trans-73.8133-177.9-580000112.9P570 V596 D598 K605P570-V607 HydrophobicContact CB-CG1 3.81Å; P570-V607 HydrophobicContact CG-CG1 3.88Å; V596-V607 HydrophobicContact CB-CG2 4.33Å; V596-V607 HydrophobicContact CG1-CB 4.33Å; V596-V607 HydrophobicContact CG1-CG1 4.1Å; V596-V607 HydrophobicContact CG1-CG2 4.18Å; D598-V607 HydrophobicContact CB-CG1 4.28Å; K605-V607 PolarHBondContact O-N 3.29Å
608T93.1Very high88.4Confident59 Ų5957.2 Ų57.236%0.36233%0.333SS..EExtended strand (participates in β ladder)trans-110.8132.4170.358.20000109.9Y623 A647 T648T608-Y623 HydrophobicContact CG2-CE1 4.33Å; T608-A647 CarbonylContact O-C 3.59Å; T608-A647 WeakPolarHBondContact O-CA 3.39Å; T608-T648 PolarHBondContact N-O 2.86Å; T608-T648 PolarHBondContact O-N 3.02Å; T608-T648 PolarHBondContact OG1-O 3.47Å
609L94.1Very high88.4Confident15 Ų1560.1 Ų60.18%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-104.6142.1-175.9-53.1176.8000111.7I594 V596 L620 P622 A647I594-L609 HydrophobicContact CD1-CD1 4.43Å; I594-L609 HydrophobicContact CG1-CD1 4.42Å; V596-L609 HydrophobicContact CB-CD2 4.2Å; V596-L609 HydrophobicContact CG2-CD2 3.66Å; L609-L620 HydrophobicContact CB-CD2 3.91Å; L609-L620 HydrophobicContact CB-CG 4.31Å; L609-P622 WeakPolarHBondContact CB-O 2.99Å; L609-P622 PolarHBondContact N-O 2.92Å; L609-P622 WeakPolarHBondContact O-CA 2.93Å; L609-P622 WeakPolarHBondContact O-CB 3.17Å; L609-A647 HydrophobicContact CD2-CB 3.68Å
610S93Very high88.5Confident45 Ų4559 Ų5932%0.31534%0.339SS..EExtended strand (participates in β ladder)trans-146.9150.1-178.553.40000111.4V645 K646S610-V645 CarbonylContact O-C 3.54Å; S610-V645 WeakPolarHBondContact O-CA 3.29Å; S610-K646 PolarHBondContact N-O 2.98Å; S610-K646 PolarHBondContact O-N 3.25Å; S610-K646 PolarHBondContact OG-O 2.84Å; S610-K646 VanDerWaalsContact OG-O 3.08Å
611I92Very high88.3Confident46 Ų4661.7 Ų61.724%0.23635%0.354CS..EExtended strand (participates in β ladder)trans-89.6140.9172-64165.2000108.9D614 F618 L620 F643 V645I611-D614 HydrophobicContact CG2-CB 3.5Å; I611-F618 HydrophobicContact CD1-CB 4.1Å; I611-F618 WeakPolarHBondContact CD1-O 3.39Å; I611-L620 HydrophobicContact CD1-CB 3.62Å; I611-L620 HydrophobicContact CG1-CB 3.66Å; I611-L620 HydrophobicContact CG1-CD2 3.92Å; I611-L620 HydrophobicContact CG1-CG 4.49Å; I611-F643 HydrophobicContact CD1-CE2 4.45Å; I611-F643 HydrophobicContact CG1-CD2 4.41Å; I611-F643 HydrophobicContact CG1-CE2 4.13Å; I611-F643 HydrophobicContact CG2-CB 4.37Å; I611-F643 HydrophobicContact CG2-CD2 3.75Å; I611-F643 HydrophobicContact CG2-CE2 4.28Å; I611-F643 HydrophobicContact CG2-CG 4.18Å; I611-V645 HydrophobicContact CG1-CG1 4.33Å
612L87.1Confident88.4Confident63 Ų6362.7 Ų62.733%0.3336%0.357SS..EExtended strand (participates in β ladder)trans-118.5142.3169.6-60.2-178.2000109.5D614 D644 K646 T658L612-D614 VanDerWaalsContact C-N 3.35Å; L612-D614 PolarHBondContact O-N 3.11Å; L612-D644 HydrophobicContact CB-CB 4.42Å; L612-D644 PolarHBondContact N-O 2.99Å; L612-D644 PolarHBondContact O-N 3.47Å; L612-K646 HydrophobicContact CD1-CB 3.84Å; L612-K646 HydrophobicContact CD1-CD 4.45Å; L612-K646 HydrophobicContact CG-CB 4.04Å; L612-T658 HydrophobicContact CD1-CG2 4.11Å
613N79Confident88.5Confident133 Ų13368.9 Ų68.971%0.71136%0.363SS*.SBendtrans62.630.3171.9-45.2-39.8000115.4
614D73.8Confident88.5Confident36 Ų3665 Ų6519%0.19335%0.351CS..  trans-104.7153168-175.133.3000111.6I611 L612 D616 N617 F618 F643I611-D614 HydrophobicContact CG2-CB 3.5Å; L612-D614 VanDerWaalsContact C-N 3.35Å; L612-D614 PolarHBondContact O-N 3.11Å; D614-D616 VanDerWaalsContact C-N 3.33Å; D614-D616 PolarHBondContact O-N 3.29Å; D614-N617 WeakPolarHBondContact OD1-CB 3.1Å; D614-N617 PolarHBondContact OD1-ND2 3.26Å; D614-N617 PolarHBondContact OD2-N 3.5Å; D614-F618 PolarHBondContact OD2-N 3.41Å; D614-F643 HydrophobicContact CB-CB 4.11Å; D614-F643 HydrophobicContact CB-CG 4.41Å
615N78.6Confident88.6Confident140 Ų14063.7 Ų63.775%0.74934%0.344SS*.  trans-9649.8177.2-61.9-32000110.9N617N615-N617 PolarHBondContact O-N 3.39Å; N615-N617 VanDerWaalsContact O-N 3.12Å
616D80Confident88.8Confident132 Ų13260.5 Ų60.571%0.70633%0.333SS*.SBendtrans54.922.9-175.8-59.9-44.3000115.2D614 F618 N630D614-D616 VanDerWaalsContact C-N 3.33Å; D614-D616 PolarHBondContact O-N 3.29Å; D616-F618 VanDerWaalsContact C-N 3.34Å; D616-N630 WeakPolarHBondContact O-CB 3.27Å; D616-N630 PolarHBondContact O-ND2 2.77Å
617N87.8Confident89Confident34 Ų3458.7 Ų58.718%0.18232%0.318CS..  trans-75.5-23.3-179.8-59.5-67.4000112.7D614 N615 N630 V631D614-N617 WeakPolarHBondContact OD1-CB 3.1Å; D614-N617 PolarHBondContact OD1-ND2 3.26Å; D614-N617 PolarHBondContact OD2-N 3.5Å; N615-N617 PolarHBondContact O-N 3.39Å; N615-N617 VanDerWaalsContact O-N 3.12Å; N617-N630 WeakPolarHBondContact O-CA 3.42Å; N617-N630 WeakPolarHBondContact O-CB 3.3Å; N617-N630 PolarHBondContact O-N 3.36Å; N617-V631 HydrophobicContact CB-CG1 4.29Å; N617-V631 HydrophobicContact CB-CG2 4.39Å
618F92.2Very high89Confident9 Ų961.2 Ų61.24%0.03933%0.326CS..EExtended strand (participates in β ladder)trans-131146.7-176.5-57.9-81.6000112.3V591 I611 D614 D616 I627 K628 F633 Y641 F643 I663V591-F618 HydrophobicContact CG2-CD1 4.49Å; V591-F618 HydrophobicContact CG2-CE1 4.38Å; I611-F618 HydrophobicContact CD1-CB 4.1Å; I611-F618 WeakPolarHBondContact CD1-O 3.39Å; D614-F618 PolarHBondContact OD2-N 3.41Å; D616-F618 VanDerWaalsContact C-N 3.34Å; F618-I627 HydrophobicContact CB-CG2 4.26Å; F618-I627 HydrophobicContact CD1-CG2 4.25Å; F618-K628 WeakPolarHBondContact CA-O 3.28Å; F618-F633 AromaticContact CE1-CE1 3.98Å; F618-F633 HydrophobicContact CE1-CE1 3.98Å; F618-F633 AromaticContact CE1-CZ 3.94Å; F618-F633 HydrophobicContact CE1-CZ 3.94Å; F618-F633 HydrophobicContact CZ-CE1 4.07Å; F618-Y641 AromaticContact CE2-CD1 3.73Å; F618-Y641 HydrophobicContact CE2-CD1 3.73Å; F618-Y641 AromaticContact CE2-CG 3.86Å; F618-Y641 HydrophobicContact CE2-CG 3.86Å; F618-Y641 AromaticContact CZ-CD1 3.87Å; F618-Y641 HydrophobicContact CZ-CD1 3.87Å; F618-Y641 HydrophobicContact CZ-CD2 4.28Å; F618-Y641 AromaticContact CZ-CG 3.7Å; F618-Y641 HydrophobicContact CZ-CG 3.7Å; F618-F643 HydrophobicContact CB-CE1 4.09Å; F618-F643 HydrophobicContact CB-CZ 4.2Å; F618-F643 HydrophobicContact CD1-CE1 4.36Å; F618-F643 AromaticContact CD2-CD1 3.73Å; F618-F643 HydrophobicContact CD2-CD1 3.73Å; F618-F643 AromaticContact CD2-CE1 3.29Å; F618-F643 HydrophobicContact CD2-CE1 3.29Å; F618-F643 HydrophobicContact CD2-CZ 4.21Å; F618-F643 HydrophobicContact CE2-CD1 4.1Å; F618-F643 AromaticContact CE2-CE1 3.78Å; F618-F643 HydrophobicContact CE2-CE1 3.78Å; F618-F643 HydrophobicContact CG-CD1 4.47Å; F618-F643 AromaticContact CG-CE1 3.63Å; F618-F643 HydrophobicContact CG-CE1 3.63Å; F618-F643 HydrophobicContact CG-CZ 4.15Å; F618-F643 HydrophobicContact CZ-CE1 4.49Å; F618-I663 HydrophobicContact CD1-CD1 3.75Å; F618-I663 HydrophobicContact CD2-CD1 4.46Å; F618-I663 HydrophobicContact CE1-CD1 3.39Å; F618-I663 HydrophobicContact CE2-CD1 4.16Å; F618-I663 HydrophobicContact CG-CD1 4.28Å; F618-I663 HydrophobicContact CZ-CD1 3.63Å
619V91.8Very high89Confident78 Ų7858.4 Ų58.447%0.47331%0.309SS..EExtended strand (participates in β ladder)trans-114.4118.5172.6178.70000108.5K628 N630V619-K628 PolarHBondContact N-O 2.87Å; V619-K628 PolarHBondContact O-N 3.07Å; V619-N630 HydrophobicContact CG2-CB 4.26Å
620L92.6Very high88.8Confident16 Ų1660 Ų608%0.08432%0.318CS..EExtended strand (participates in β ladder)trans-97.2128.2171.4172.960.3000109.1I594 L609 I611 P622 I627 V645I594-L620 HydrophobicContact CD1-CD1 3.75Å; I594-L620 HydrophobicContact CD1-CD2 3.92Å; I594-L620 HydrophobicContact CG1-CD1 4.01Å; L609-L620 HydrophobicContact CB-CD2 3.91Å; L609-L620 HydrophobicContact CB-CG 4.31Å; I611-L620 HydrophobicContact CD1-CB 3.62Å; I611-L620 HydrophobicContact CG1-CB 3.66Å; I611-L620 HydrophobicContact CG1-CD2 3.92Å; I611-L620 HydrophobicContact CG1-CG 4.49Å; L620-P622 WeakPolarHBondContact O-CD 3.44Å; L620-I627 HydrophobicContact CD1-CG1 3.84Å; L620-V645 HydrophobicContact CD2-CG1 4.13Å
621D91.8Very high88.6Confident58 Ų5859.5 Ų59.531%0.3131%0.312SS..  trans-70.2118.8166.2-178.2-34.6000109.4Y623 S624 G625 V626D621-Y623 PolarHBondContact O-N 3.22Å; D621-Y623 VanDerWaalsContact O-N 3.09Å; D621-Y623 PolarHBondContact OD1-N 2.9Å; D621-S624 VanDerWaalsContact CB-OG 3.25Å; D621-S624 WeakPolarHBondContact CB-OG 3.48Å; D621-S624 PolarHBondContact OD1-N 2.92Å; D621-S624 WeakPolarHBondContact OD2-CB 3.34Å; D621-S624 PolarHBondContact OD2-OG 3.15Å; D621-G625 PolarHBondContact O-N 2.83Å; D621-V626 HydrophobicContact CB-CB 4.41Å; D621-V626 PolarHBondContact N-O 2.8Å
622P91.6Very high88.5Confident55 Ų5561.7 Ų61.736%0.35733%0.332SS..THydrogen-bonded Turntrans-61.8-18.7-175.3-25.836.1000115.3L609 L620L609-P622 WeakPolarHBondContact CB-O 2.99Å; L609-P622 PolarHBondContact N-O 2.92Å; L609-P622 WeakPolarHBondContact O-CA 2.93Å; L609-P622 WeakPolarHBondContact O-CB 3.17Å; L620-P622 WeakPolarHBondContact O-CD 3.44Å
623Y90.2Very high88.7Confident192 Ų19259.3 Ų59.375%0.75332%0.319SS*.THydrogen-bonded Turntrans-117.2-34.6-173.5-54.6-74.3000113.2T608 D621T608-Y623 HydrophobicContact CG2-CE1 4.33Å; D621-Y623 PolarHBondContact O-N 3.22Å; D621-Y623 VanDerWaalsContact O-N 3.09Å; D621-Y623 PolarHBondContact OD1-N 2.9Å
624S89.9Confident89.3Confident59 Ų5956.2 Ų56.241%0.41330%0.302SS..THydrogen-bonded Turntrans-92.4-10.6179.278.40000114.5D621 V626D621-S624 VanDerWaalsContact CB-OG 3.25Å; D621-S624 WeakPolarHBondContact CB-OG 3.48Å; D621-S624 PolarHBondContact OD1-N 2.92Å; D621-S624 WeakPolarHBondContact OD2-CB 3.34Å; D621-S624 PolarHBondContact OD2-OG 3.15Å; S624-V626 PolarHBondContact O-N 2.86Å; S624-V626 VanDerWaalsContact OG-CG2 3.27Å; S624-V626 WeakPolarHBondContact OG-CG2 3.27Å
625G91.1Very high90.3Very high1 Ų155.9 Ų55.91%0.0130%0.298CS..  trans69.97.318000000114.6V593 I594 D621V593-G625 WeakPolarHBondContact CA-O 3.47Å; I594-G625 WeakPolarHBondContact CG1-O 3.27Å; I594-G625 PolarHBondContact N-O 3.36Å; D621-G625 PolarHBondContact O-N 2.83Å
626V93.8Very high90.9Very high29 Ų2952.3 Ų52.318%0.17628%0.277CS..EExtended strand (participates in β ladder)trans-76.6122.5-179.8178.30000109.9T590 V593 D621 S624 K628T590-V626 HydrophobicContact CG2-CG1 3.73Å; V593-V626 HydrophobicContact CG1-CG2 4.45Å; V593-V626 HydrophobicContact CG2-CG2 4.08Å; D621-V626 HydrophobicContact CB-CB 4.41Å; D621-V626 PolarHBondContact N-O 2.8Å; S624-V626 PolarHBondContact O-N 2.86Å; S624-V626 VanDerWaalsContact OG-CG2 3.27Å; S624-V626 WeakPolarHBondContact OG-CG2 3.27Å; V626-K628 HydrophobicContact CG1-CG 4.17Å
627I93.3Very high91.4Very high0 Ų053.5 Ų53.50%028%0.278CS..EExtended strand (participates in β ladder)trans-95.9129.9174.6-61.6171.6000108.9F579 T590 V591 G592 I594 F618 L620 F643 V661F579-I627 HydrophobicContact CE2-CD1 4.1Å; T590-I627 WeakPolarHBondContact CA-O 3.21Å; V591-I627 HydrophobicContact CB-CG2 4.28Å; V591-I627 PolarHBondContact N-O 3.39Å; G592-I627 PolarHBondContact N-O 3.34Å; G592-I627 PolarHBondContact O-N 2.75Å; I594-I627 HydrophobicContact CD1-CD1 4.46Å; I594-I627 HydrophobicContact CG1-CD1 4.43Å; I594-I627 HydrophobicContact CG2-CD1 3.86Å; F618-I627 HydrophobicContact CB-CG2 4.26Å; F618-I627 HydrophobicContact CD1-CG2 4.25Å; L620-I627 HydrophobicContact CD1-CG1 3.84Å; I627-F643 HydrophobicContact CD1-CE2 4.48Å; I627-F643 HydrophobicContact CD1-CZ 4.26Å; I627-F643 HydrophobicContact CG2-CZ 4.24Å; I627-V661 HydrophobicContact CD1-CG1 4.12Å; I627-V661 HydrophobicContact CD1-CG2 4.25Å
628K92.7Very high91.6Very high86 Ų8655.8 Ų55.837%0.37429%0.288SS..EExtended strand (participates in β ladder)trans-124152.9177.8-61.4177.3-174.4168.80112.1S589 F618 V619 V626S589-K628 WeakPolarHBondContact O-CA 3.34Å; S589-K628 WeakPolarHBondContact O-CB 3.36Å; F618-K628 WeakPolarHBondContact CA-O 3.28Å; V619-K628 PolarHBondContact N-O 2.87Å; V619-K628 PolarHBondContact O-N 3.07Å; V626-K628 HydrophobicContact CG1-CG 4.17Å
629S92.6Very high91.6Very high0 Ų058.6 Ų58.60%031%0.309CS..EExtended strand (participates in β ladder)trans-77.2131.917560.60000112.5P586 Y588 S589P586-S629 PolarHBondContact O-OG 3.09Å; Y588-S629 WeakPolarHBondContact CA-O 3.31Å; Y588-S629 WeakPolarHBondContact CD1-O 3.46Å; Y588-S629 PolarHBondContact N-O 3.21Å; Y588-S629 PolarHBondContact N-OG 3.13Å; S589-S629 PolarHBondContact O-N 3.17Å; S589-S629 VanDerWaalsContact O-N 3.09Å
630N91Very high91.6Very high49 Ų4956.9 Ų56.926%0.26230%0.3SS..SBendtrans-106.814.6165.5-170.629.5000112K587 Y588 D616 N617 V619K587-N630 WeakPolarHBondContact CE-O 3.35Å; K587-N630 WeakPolarHBondContact CE-OD1 3.49Å; K587-N630 PolarHBondContact NZ-O 3.39Å; K587-N630 PolarHBondContact NZ-OD1 3.15Å; Y588-N630 WeakPolarHBondContact CE1-OD1 3.34Å; D616-N630 WeakPolarHBondContact O-CB 3.27Å; D616-N630 PolarHBondContact O-ND2 2.77Å; N617-N630 WeakPolarHBondContact O-CA 3.42Å; N617-N630 WeakPolarHBondContact O-CB 3.3Å; N617-N630 PolarHBondContact O-N 3.36Å; V619-N630 HydrophobicContact CG2-CB 4.26Å
631V88.6Confident91.6Very high33 Ų3357 Ų5720%0.230%0.3CS..SBendtrans-131.5160.7170.2-670000109.9N617 F633N617-V631 HydrophobicContact CB-CG1 4.29Å; N617-V631 HydrophobicContact CB-CG2 4.39Å; V631-F633 HydrophobicContact CG2-CE1 4.32Å
632S89.1Confident91.7Very high93 Ų9357.8 Ų57.865%0.6531%0.307SS*.  trans-78.4149.4152.645.30000108.4
633F91.2Very high91.7Very high13 Ų1355.4 Ų55.46%0.05729%0.291CS..  trans-93.7155.2174-56.3-80.9000110.4V581 E583 L585 V591 F618 V631 Y641 V665V581-F633 HydrophobicContact CG2-CD1 4.44Å; V581-F633 HydrophobicContact CG2-CD2 4.39Å; V581-F633 HydrophobicContact CG2-CE1 4.26Å; V581-F633 HydrophobicContact CG2-CE2 4.21Å; V581-F633 HydrophobicContact CG2-CG 4.5Å; V581-F633 HydrophobicContact CG2-CZ 4.13Å; E583-F633 HydrophobicContact CB-CB 4.17Å; L585-F633 HydrophobicContact CB-CD2 4.25Å; L585-F633 HydrophobicContact CB-CE2 4.47Å; L585-F633 HydrophobicContact CD2-CE2 3.96Å; L585-F633 HydrophobicContact CG-CE2 4.46Å; V591-F633 HydrophobicContact CG2-CZ 4.16Å; F618-F633 AromaticContact CE1-CE1 3.98Å; F618-F633 HydrophobicContact CE1-CE1 3.98Å; F618-F633 AromaticContact CE1-CZ 3.94Å; F618-F633 HydrophobicContact CE1-CZ 3.94Å; F618-F633 HydrophobicContact CZ-CE1 4.07Å; V631-F633 HydrophobicContact CG2-CE1 4.32Å; F633-Y641 HydrophobicContact CD1-CD2 4.39Å; F633-Y641 AromaticContact CD1-CE2 3.84Å; F633-Y641 HydrophobicContact CD1-CE2 3.84Å; F633-Y641 HydrophobicContact CE1-CD2 4.33Å; F633-Y641 HydrophobicContact CE1-CE2 4.16Å; F633-V665 HydrophobicContact CB-CG1 4.02Å; F633-V665 HydrophobicContact CB-CG2 4.26Å; F633-V665 HydrophobicContact CD1-CG2 3.78Å; F633-V665 HydrophobicContact CG-CG2 4.29Å
634D92Very high91.9Very high67 Ų6748.1 Ų48.136%0.35827%0.265SS..  trans-156.7111.2-178.2171.3-37.8000103.4E636 Q637 Q638D634-E636 PolarHBondContact OD1-N 2.87Å; D634-Q637 HydrophobicContact CB-CB 4.1Å; D634-Q637 WeakPolarHBondContact OD1-CB 3.31Å; D634-Q637 PolarHBondContact OD1-N 3Å; D634-Q638 CarbonylContact O-C 3.53Å; D634-Q638 PolarHBondContact O-N 2.86Å
635R93.9Very high92.1Very high29 Ų2945.3 Ų45.311%0.10925%0.245CC..Hα-helixtrans-79.9-28.1-170-165.8-156.556.849.1-7.4111.5E583 Q637 S639 V665 D667 V705 D706E583-R635 WeakPolarHBondContact OE2-CB 3.35Å; E583-R635 PolarHBondContact OE2-N 3.18Å; R635-Q637 VanDerWaalsContact C-N 3.32Å; R635-S639 PolarHBondContact O-N 3.13Å; R635-V665 HydrophobicContact CB-CB 4.43Å; R635-V665 HydrophobicContact CB-CG1 3.88Å; R635-V665 HydrophobicContact CG-CB 4.2Å; R635-V665 HydrophobicContact CG-CG1 4.13Å; R635-D667 IonicContact CZ-OD1 2.63Å; R635-D667 IonicContact NE-OD1 3.7Å; R635-D667 PolarHBondContact NE-OD1 3.13Å; R635-D667 IonicContact NH2-OD1 2.6Å; R635-D667 PolarHBondContact NH2-OD1 3.46Å; R635-V705 PolarHBondContact NH2-O 2.9Å; R635-V705 VanDerWaalsContact NH2-O 3.07Å; R635-D706 VanDerWaalsContact NH2-C 3.26Å; R635-D706 VanDerWaalsContact NH2-CA 3.29Å
636E91.7Very high92.2Very high65 Ų6548 Ų4830%0.30426%0.257SS..Hα-helixtrans-66.2-38.2175.4-70.453.9-112.700110D634 V705D634-E636 PolarHBondContact OD1-N 2.87Å; E636-V705 HydrophobicContact CG-CB 4.06Å; E636-V705 HydrophobicContact CG-CG2 3.8Å
637Q91.5Very high92.3Very high157 Ų15746.6 Ų46.673%0.73425%0.248SC*.Hα-helixtrans-76.7-51.2173.6-172.4176.918.300112.2D634 R635D634-Q637 HydrophobicContact CB-CB 4.1Å; D634-Q637 WeakPolarHBondContact OD1-CB 3.31Å; D634-Q637 PolarHBondContact OD1-N 3Å; R635-Q637 VanDerWaalsContact C-N 3.32Å
638Q91.5Very high92.3Very high83 Ų8347.8 Ų47.839%0.38826%0.255SS..Hα-helixtrans-15398.2-178.7-173.3170.3-14.700113.8D634 S640 Y641D634-Q638 CarbonylContact O-C 3.53Å; D634-Q638 PolarHBondContact O-N 2.86Å; Q638-S640 VanDerWaalsContact C-N 3.33Å; Q638-S640 WeakPolarHBondContact CG-O 3.5Å; Q638-S640 PolarHBondContact NE2-O 2.83Å; Q638-S640 PolarHBondContact O-N 2.85Å; Q638-Y641 HydrophobicContact CB-CE2 4.21Å; Q638-Y641 HydrophobicContact CG-CD2 4.37Å; Q638-Y641 HydrophobicContact CG-CE1 4.3Å; Q638-Y641 HydrophobicContact CG-CE2 3.9Å; Q638-Y641 WeakPolarHBondContact O-CE2 3.32Å
639S91.5Very high92.4Very high67 Ų6743.9 Ų43.947%0.46924%0.239SC..SBendtrans-72.2-12.3-179.661.60000116.4R635 V665R635-S639 PolarHBondContact O-N 3.13Å; S639-V665 PolarHBondContact O-N 2.84Å
640S93.1Very high92.2Very high42 Ų4245.5 Ų45.529%0.29426%0.255SS..EExtended strand (participates in β ladder)trans-153.3141.4178.5-167.30000113.1Q638 T662 I663 N664Q638-S640 VanDerWaalsContact C-N 3.33Å; Q638-S640 WeakPolarHBondContact CG-O 3.5Å; Q638-S640 PolarHBondContact NE2-O 2.83Å; Q638-S640 PolarHBondContact O-N 2.85Å; S640-T662 WeakPolarHBondContact OG-CG2 3.25Å; S640-I663 WeakPolarHBondContact CA-O 3.5Å; S640-N664 PolarHBondContact OG-OD1 3.22Å
641Y92.4Very high92Very high19 Ų1943.4 Ų43.48%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-119.5139.3175.7-64.3-103.5000108.7F618 F633 Q638 T662 I663 V665F618-Y641 AromaticContact CE2-CD1 3.73Å; F618-Y641 HydrophobicContact CE2-CD1 3.73Å; F618-Y641 AromaticContact CE2-CG 3.86Å; F618-Y641 HydrophobicContact CE2-CG 3.86Å; F618-Y641 AromaticContact CZ-CD1 3.87Å; F618-Y641 HydrophobicContact CZ-CD1 3.87Å; F618-Y641 HydrophobicContact CZ-CD2 4.28Å; F618-Y641 AromaticContact CZ-CG 3.7Å; F618-Y641 HydrophobicContact CZ-CG 3.7Å; F633-Y641 HydrophobicContact CD1-CD2 4.39Å; F633-Y641 AromaticContact CD1-CE2 3.84Å; F633-Y641 HydrophobicContact CD1-CE2 3.84Å; F633-Y641 HydrophobicContact CE1-CD2 4.33Å; F633-Y641 HydrophobicContact CE1-CE2 4.16Å; Q638-Y641 HydrophobicContact CB-CE2 4.21Å; Q638-Y641 HydrophobicContact CG-CD2 4.37Å; Q638-Y641 HydrophobicContact CG-CE1 4.3Å; Q638-Y641 HydrophobicContact CG-CE2 3.9Å; Q638-Y641 WeakPolarHBondContact O-CE2 3.32Å; Y641-T662 CarbonylContact O-C 3.55Å; Y641-T662 VanDerWaalsContact O-CA 3.31Å; Y641-T662 WeakPolarHBondContact O-CA 3.11Å; Y641-I663 PolarHBondContact N-O 3.33Å; Y641-I663 PolarHBondContact O-N 3Å; Y641-V665 HydrophobicContact CD2-CG2 4.17Å; Y641-V665 HydrophobicContact CE2-CG2 3.92Å
642T92.5Very high91.7Very high75 Ų7550.3 Ų50.346%0.4628%0.275SS..EExtended strand (participates in β ladder)trans-142.5126.4177.6-66.50000110.5K660 V661 T662T642-K660 HydrophobicContact CG2-CD 3.81Å; T642-K660 HydrophobicContact CG2-CG 3.88Å; T642-V661 VanDerWaalsContact CA-O 3.3Å; T642-V661 WeakPolarHBondContact CA-O 3.24Å; T642-T662 WeakPolarHBondContact OG1-CB 3.47Å; T642-T662 WeakPolarHBondContact OG1-CG2 3.45Å; T642-T662 PolarHBondContact OG1-OG1 3.01Å
643F93.4Very high91.8Very high4 Ų451 Ų512%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-139172.9175.656.1-96000109.7I611 D614 F618 I627 V645 V661 I663I611-F643 HydrophobicContact CD1-CE2 4.45Å; I611-F643 HydrophobicContact CG1-CD2 4.41Å; I611-F643 HydrophobicContact CG1-CE2 4.13Å; I611-F643 HydrophobicContact CG2-CB 4.37Å; I611-F643 HydrophobicContact CG2-CD2 3.75Å; I611-F643 HydrophobicContact CG2-CE2 4.28Å; I611-F643 HydrophobicContact CG2-CG 4.18Å; D614-F643 HydrophobicContact CB-CB 4.11Å; D614-F643 HydrophobicContact CB-CG 4.41Å; F618-F643 HydrophobicContact CB-CE1 4.09Å; F618-F643 HydrophobicContact CB-CZ 4.2Å; F618-F643 HydrophobicContact CD1-CE1 4.36Å; F618-F643 AromaticContact CD2-CD1 3.73Å; F618-F643 HydrophobicContact CD2-CD1 3.73Å; F618-F643 AromaticContact CD2-CE1 3.29Å; F618-F643 HydrophobicContact CD2-CE1 3.29Å; F618-F643 HydrophobicContact CD2-CZ 4.21Å; F618-F643 HydrophobicContact CE2-CD1 4.1Å; F618-F643 AromaticContact CE2-CE1 3.78Å; F618-F643 HydrophobicContact CE2-CE1 3.78Å; F618-F643 HydrophobicContact CG-CD1 4.47Å; F618-F643 AromaticContact CG-CE1 3.63Å; F618-F643 HydrophobicContact CG-CE1 3.63Å; F618-F643 HydrophobicContact CG-CZ 4.15Å; F618-F643 HydrophobicContact CZ-CE1 4.49Å; I627-F643 HydrophobicContact CD1-CE2 4.48Å; I627-F643 HydrophobicContact CD1-CZ 4.26Å; I627-F643 HydrophobicContact CG2-CZ 4.24Å; F643-V645 HydrophobicContact CD2-CG1 3.89Å; F643-V645 HydrophobicContact CE2-CG1 3.6Å; F643-V661 HydrophobicContact CD2-CB 4.1Å; F643-V661 HydrophobicContact CD2-CG2 4.48Å; F643-V661 HydrophobicContact CE1-CG1 4.33Å; F643-V661 HydrophobicContact CE2-CB 3.72Å; F643-V661 HydrophobicContact CE2-CG1 4.09Å; F643-V661 HydrophobicContact CE2-CG2 3.96Å; F643-V661 HydrophobicContact CZ-CB 3.95Å; F643-V661 HydrophobicContact CZ-CG1 3.81Å; F643-V661 HydrophobicContact CZ-CG2 4.49Å; F643-V661 PolarHBondContact N-O 2.82Å; F643-V661 PolarHBondContact O-N 3.43Å; F643-V661 VanDerWaalsContact O-O 3.11Å; F643-I663 HydrophobicContact CE1-CD1 3.62Å; F643-I663 HydrophobicContact CZ-CD1 4.04Å
644D93.7Very high91.7Very high40 Ų4054.1 Ų54.121%0.21430%0.299CS..EExtended strand (participates in β ladder)trans-110.7148.5175.4-64.1-55.9000109.4L612 A659 K660L612-D644 HydrophobicContact CB-CB 4.42Å; L612-D644 PolarHBondContact N-O 2.99Å; L612-D644 PolarHBondContact O-N 3.47Å; D644-A659 CarbonylContact C-O 3.58Å; D644-A659 WeakPolarHBondContact CA-O 3.28Å; D644-K660 VanDerWaalsContact CG-NZ 3.32Å; D644-K660 WeakPolarHBondContact OD1-CA 3.39Å; D644-K660 WeakPolarHBondContact OD1-CB 3.37Å; D644-K660 IonicContact OD1-NZ 3.17Å; D644-K660 PolarHBondContact OD1-NZ 2.79Å; D644-K660 IonicContact OD2-NZ 2.91Å; D644-K660 PolarHBondContact OD2-NZ 3.25Å
645V93.9Very high91.8Very high0 Ų055 Ų550%030%0.297CS..EExtended strand (participates in β ladder)trans-118.3138.1176.4-68.40000109.6F572 I594 S610 I611 L620 F643 T658 A659 V661F572-V645 HydrophobicContact CD1-CG2 4.47Å; F572-V645 HydrophobicContact CE1-CB 4.5Å; F572-V645 HydrophobicContact CE1-CG2 3.6Å; F572-V645 HydrophobicContact CZ-CB 4.44Å; F572-V645 HydrophobicContact CZ-CG2 3.81Å; I594-V645 HydrophobicContact CD1-CB 3.97Å; I594-V645 HydrophobicContact CD1-CG1 3.99Å; I594-V645 HydrophobicContact CD1-CG2 3.8Å; S610-V645 CarbonylContact O-C 3.54Å; S610-V645 WeakPolarHBondContact O-CA 3.29Å; I611-V645 HydrophobicContact CG1-CG1 4.33Å; L620-V645 HydrophobicContact CD2-CG1 4.13Å; F643-V645 HydrophobicContact CD2-CG1 3.89Å; F643-V645 HydrophobicContact CE2-CG1 3.6Å; V645-T658 CarbonylContact O-C 3.59Å; V645-T658 WeakPolarHBondContact O-CA 3.47Å; V645-A659 HydrophobicContact CG2-CB 4.19Å; V645-A659 WeakPolarHBondContact CG2-O 3.24Å; V645-A659 PolarHBondContact N-O 2.85Å; V645-A659 PolarHBondContact O-N 2.84Å; V645-V661 HydrophobicContact CG1-CG2 3.82Å; V645-V661 HydrophobicContact CG2-CG2 3.85Å
646K93.8Very high91.7Very high57 Ų5756.1 Ų56.125%0.24831%0.31CS..EExtended strand (participates in β ladder)trans-113.6129.2179.2-175-170.1-171.3-108.60110.3S610 L612 T648 S656 S657 T658S610-K646 PolarHBondContact N-O 2.98Å; S610-K646 PolarHBondContact O-N 3.25Å; S610-K646 PolarHBondContact OG-O 2.84Å; S610-K646 VanDerWaalsContact OG-O 3.08Å; L612-K646 HydrophobicContact CD1-CB 3.84Å; L612-K646 HydrophobicContact CD1-CD 4.45Å; L612-K646 HydrophobicContact CG-CB 4.04Å; K646-T648 PolarHBondContact NZ-OG1 3.23Å; K646-S656 VanDerWaalsContact CE-CB 3.44Å; K646-S656 VanDerWaalsContact CE-OG 3.27Å; K646-S656 WeakPolarHBondContact CE-OG 3.45Å; K646-S656 PolarHBondContact NZ-OG 2.91Å; K646-S657 WeakPolarHBondContact CA-O 3.15Å; K646-T658 HydrophobicContact CB-CG2 4.04Å; K646-T658 HydrophobicContact CG-CG2 4.14Å
647A94.7Very high91.9Very high0 Ų054.7 Ų54.70%031%0.307CS..EExtended strand (participates in β ladder)trans-100.3137.3165.900000109.5P570 F572 V596 T608 L609 S656 S657P570-A647 HydrophobicContact CB-CB 3.65Å; F572-A647 HydrophobicContact CE2-CB 3.87Å; F572-A647 HydrophobicContact CZ-CB 3.77Å; V596-A647 HydrophobicContact CG1-CB 3.86Å; V596-A647 HydrophobicContact CG2-CB 4.08Å; T608-A647 CarbonylContact O-C 3.59Å; T608-A647 WeakPolarHBondContact O-CA 3.39Å; L609-A647 HydrophobicContact CD2-CB 3.68Å; A647-S656 WeakPolarHBondContact O-CA 3.33Å; A647-S656 WeakPolarHBondContact O-CB 3.46Å; A647-S657 PolarHBondContact N-O 2.79Å; A647-S657 PolarHBondContact O-N 2.66Å; A647-S657 VanDerWaalsContact O-N 3.12Å
648T93.9Very high92Very high24 Ų2451.4 Ų51.415%0.14730%0.298CS..EExtended strand (participates in β ladder)trans-136.6126.4178.2-40.90000108.9T608 K646 P654 R655T608-T648 PolarHBondContact N-O 2.86Å; T608-T648 PolarHBondContact O-N 3.02Å; T608-T648 PolarHBondContact OG1-O 3.47Å; K646-T648 PolarHBondContact NZ-OG1 3.23Å; T648-P654 HydrophobicContact CG2-CB 4.14Å; T648-R655 WeakPolarHBondContact CA-O 3.42Å; T648-R655 VanDerWaalsContact CG2-O 3.26Å; T648-R655 WeakPolarHBondContact CG2-O 3.44Å
649D94Very high92.1Very high5 Ų547.7 Ų47.73%0.02728%0.281CS..  trans-72169.817348.188.5000112.9N566 P570 N604 G651 P654 R655N566-D649 PolarHBondContact ND2-OD1 2.86Å; P570-D649 WeakPolarHBondContact CD-OD2 3.39Å; P570-D649 HydrophobicContact CG-CB 4.05Å; P570-D649 WeakPolarHBondContact CG-OD2 3.33Å; N604-D649 WeakPolarHBondContact O-CB 3.47Å; D649-G651 VanDerWaalsContact C-N 3.31Å; D649-G651 PolarHBondContact OD1-N 2.88Å; D649-P654 VanDerWaalsContact OD1-CA 3.3Å; D649-P654 WeakPolarHBondContact OD1-CA 3.41Å; D649-R655 VanDerWaalsContact CG-N 3.28Å; D649-R655 PolarHBondContact N-O 2.93Å; D649-R655 PolarHBondContact OD1-N 3.42Å; D649-R655 WeakPolarHBondContact OD2-CA 3.47Å; D649-R655 WeakPolarHBondContact OD2-CB 3.34Å; D649-R655 PolarHBondContact OD2-N 3.28Å
650G88.8Confident92.3Very high34 Ų3448.3 Ų48.335%0.35128%0.275SS..SBendtrans-86.24.8173.700000114.5E603 A606E603-G650 VanDerWaalsContact O-CA 3.3Å; E603-G650 WeakPolarHBondContact O-CA 3.31Å; E603-G650 PolarHBondContact O-N 3.45Å; E603-G650 VanDerWaalsContact O-N 3.11Å; A606-G650 PolarHBondContact O-N 2.85Å
651G87.2Confident92.3Very high4 Ų446.3 Ų46.34%0.04126%0.261CS..  trans-70.1171.7-175.300000114.3N604 D649 P653 P654N604-G651 WeakPolarHBondContact OD1-CA 3.47Å; D649-G651 VanDerWaalsContact C-N 3.31Å; D649-G651 PolarHBondContact OD1-N 2.88Å; G651-P653 CarbonylContact O-C 3.46Å; G651-P654 WeakPolarHBondContact O-CA 3.36Å; G651-P654 WeakPolarHBondContact O-CB 3.47Å; G651-P654 WeakPolarHBondContact O-CD 3.18Å
652Q82.8Confident92.4Very high179 Ų17946.1 Ų46.184%0.83626%0.262SS*.SBendtrans-13899.7-174.2-66.9177.835.200110.9
653P89.4Confident92.5Very high106 Ų10642.5 Ų42.569%0.68824%0.24SC*.SBendcis-69.6145.52.830.3-35.9000112.7N566 G651N566-P653 PolarHBondContact ND2-O 3.32Å; G651-P653 CarbonylContact O-C 3.46Å
654P90.7Very high92.5Very high79 Ų7944.1 Ų44.151%0.51325%0.249SC..  trans-74.5141.5178.629.6-34.3000110.4T648 D649 G651T648-P654 HydrophobicContact CG2-CB 4.14Å; D649-P654 VanDerWaalsContact OD1-CA 3.3Å; D649-P654 WeakPolarHBondContact OD1-CA 3.41Å; G651-P654 WeakPolarHBondContact O-CA 3.36Å; G651-P654 WeakPolarHBondContact O-CB 3.47Å; G651-P654 WeakPolarHBondContact O-CD 3.18Å
655R92.7Very high92.5Very high85 Ų8542.8 Ų42.832%0.32124%0.242SC..  trans-105.3174.6178.2-62.8169.862.3160.4-15.6108.4N566 D567 N568 S569 T648 D649N566-R655 WeakPolarHBondContact O-CD 3Å; N566-R655 PolarHBondContact O-NH1 3.49Å; D567-R655 PolarHBondContact O-NH1 2.92Å; D567-R655 PolarHBondContact O-NH2 3.29Å; N568-R655 VanDerWaalsContact C-NH2 3.3Å; N568-R655 VanDerWaalsContact O-CD 3.25Å; N568-R655 WeakPolarHBondContact O-CD 3.37Å; N568-R655 PolarHBondContact O-NE 2.9Å; N568-R655 PolarHBondContact O-NH2 3.32Å; S569-R655 PolarHBondContact OG-NE 2.88Å; S569-R655 PolarHBondContact OG-NH2 3.19Å; T648-R655 WeakPolarHBondContact CA-O 3.42Å; T648-R655 VanDerWaalsContact CG2-O 3.26Å; T648-R655 WeakPolarHBondContact CG2-O 3.44Å; D649-R655 VanDerWaalsContact CG-N 3.28Å; D649-R655 PolarHBondContact N-O 2.93Å; D649-R655 PolarHBondContact OD1-N 3.42Å; D649-R655 WeakPolarHBondContact OD2-CA 3.47Å; D649-R655 WeakPolarHBondContact OD2-CB 3.34Å; D649-R655 PolarHBondContact OD2-N 3.28Å
656S93.5Very high92.3Very high54 Ų5447.1 Ų47.138%0.37826%0.263SS..EExtended strand (participates in β ladder)trans-168.4162.1-178.542.70000113.3K646 A647K646-S656 VanDerWaalsContact CE-CB 3.44Å; K646-S656 VanDerWaalsContact CE-OG 3.27Å; K646-S656 WeakPolarHBondContact CE-OG 3.45Å; K646-S656 PolarHBondContact NZ-OG 2.91Å; A647-S656 WeakPolarHBondContact O-CA 3.33Å; A647-S656 WeakPolarHBondContact O-CB 3.46Å
657S94Very high92.2Very high35 Ų3546.1 Ų46.125%0.24526%0.261CS..EExtended strand (participates in β ladder)trans-140.4172.6168.375.50000111.2P570 F572 K646 A647P570-S657 WeakPolarHBondContact O-CB 3.31Å; P570-S657 PolarHBondContact O-OG 2.94Å; F572-S657 VanDerWaalsContact CD2-OG 3.28Å; F572-S657 WeakPolarHBondContact CD2-OG 3.35Å; F572-S657 VanDerWaalsContact CE2-OG 3.3Å; F572-S657 WeakPolarHBondContact CE2-OG 3.21Å; K646-S657 WeakPolarHBondContact CA-O 3.15Å; A647-S657 PolarHBondContact N-O 2.79Å; A647-S657 PolarHBondContact O-N 2.66Å; A647-S657 VanDerWaalsContact O-N 3.12Å
658T94.5Very high91.9Very high88 Ų8847.4 Ų47.454%0.5427%0.268SS..EExtended strand (participates in β ladder)trans-135.1145177.753.20000112.2L612 V645 K646L612-T658 HydrophobicContact CD1-CG2 4.11Å; V645-T658 CarbonylContact O-C 3.59Å; V645-T658 WeakPolarHBondContact O-CA 3.47Å; K646-T658 HydrophobicContact CB-CG2 4.04Å; K646-T658 HydrophobicContact CG-CG2 4.14Å
659A93.8Very high91.7Very high4 Ų447 Ų473%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-131.3154.6171.300000110.9F572 N575 F577 D644 V645F572-A659 HydrophobicContact CB-CB 4.05Å; F572-A659 HydrophobicContact CD1-CB 3.79Å; F572-A659 HydrophobicContact CD2-CB 3.68Å; F572-A659 HydrophobicContact CE1-CB 4.15Å; F572-A659 HydrophobicContact CE2-CB 4.05Å; F572-A659 HydrophobicContact CG-CB 3.55Å; F572-A659 HydrophobicContact CZ-CB 4.27Å; N575-A659 WeakPolarHBondContact O-CA 3.19Å; F577-A659 HydrophobicContact CD2-CB 4.35Å; F577-A659 HydrophobicContact CE2-CB 4.14Å; D644-A659 CarbonylContact C-O 3.58Å; D644-A659 WeakPolarHBondContact CA-O 3.28Å; V645-A659 HydrophobicContact CG2-CB 4.19Å; V645-A659 WeakPolarHBondContact CG2-O 3.24Å; V645-A659 PolarHBondContact N-O 2.85Å; V645-A659 PolarHBondContact O-N 2.84Å
660K94.7Very high91.5Very high80 Ų8051.6 Ų51.635%0.34829%0.29SS..EExtended strand (participates in β ladder)trans-94.1127.3-179.7179.4166.2-62.6-50.80111.5N575 H576 F577 T642 D644N575-K660 PolarHBondContact O-N 2.82Å; H576-K660 CarbonylContact C-O 3.51Å; H576-K660 VanDerWaalsContact CA-O 3.27Å; H576-K660 WeakPolarHBondContact CA-O 3.38Å; H576-K660 PolarHBondContact ND1-O 3.01Å; F577-K660 PolarHBondContact N-O 2.95Å; T642-K660 HydrophobicContact CG2-CD 3.81Å; T642-K660 HydrophobicContact CG2-CG 3.88Å; D644-K660 VanDerWaalsContact CG-NZ 3.32Å; D644-K660 WeakPolarHBondContact OD1-CA 3.39Å; D644-K660 WeakPolarHBondContact OD1-CB 3.37Å; D644-K660 IonicContact OD1-NZ 3.17Å; D644-K660 PolarHBondContact OD1-NZ 2.79Å; D644-K660 IonicContact OD2-NZ 2.91Å; D644-K660 PolarHBondContact OD2-NZ 3.25Å
661V94.2Very high91.5Very high0 Ų052.4 Ų52.40%029%0.286CS..EExtended strand (participates in β ladder)trans-106127.9172.8-177.10000109.2F577 F579 I594 I627 T642 F643 V645 I663F577-V661 HydrophobicContact CB-CG2 4.4Å; F579-V661 HydrophobicContact CD2-CG1 3.87Å; F579-V661 HydrophobicContact CE2-CG1 3.88Å; I594-V661 HydrophobicContact CG2-CG2 4.19Å; I627-V661 HydrophobicContact CD1-CG1 4.12Å; I627-V661 HydrophobicContact CD1-CG2 4.25Å; T642-V661 VanDerWaalsContact CA-O 3.3Å; T642-V661 WeakPolarHBondContact CA-O 3.24Å; F643-V661 HydrophobicContact CD2-CB 4.1Å; F643-V661 HydrophobicContact CD2-CG2 4.48Å; F643-V661 HydrophobicContact CE1-CG1 4.33Å; F643-V661 HydrophobicContact CE2-CB 3.72Å; F643-V661 HydrophobicContact CE2-CG1 4.09Å; F643-V661 HydrophobicContact CE2-CG2 3.96Å; F643-V661 HydrophobicContact CZ-CB 3.95Å; F643-V661 HydrophobicContact CZ-CG1 3.81Å; F643-V661 HydrophobicContact CZ-CG2 4.49Å; F643-V661 PolarHBondContact N-O 2.82Å; F643-V661 PolarHBondContact O-N 3.43Å; F643-V661 VanDerWaalsContact O-O 3.11Å; V645-V661 HydrophobicContact CG1-CG2 3.82Å; V645-V661 HydrophobicContact CG2-CG2 3.85Å; V661-I663 HydrophobicContact CG1-CD1 4.3Å; V661-I663 HydrophobicContact CG1-CG1 4.13Å
662T94.5Very high91.6Very high15 Ų1555 Ų559%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-119.9133.9168.1-65.40000109.7H576 F577 Q578 F579 S640 Y641 T642 N664H576-T662 PolarHBondContact CE1-OG1 3.07Å; F577-T662 PolarHBondContact O-N 2.95Å; Q578-T662 WeakPolarHBondContact CA-O 3Å; F579-T662 PolarHBondContact N-O 2.96Å; S640-T662 WeakPolarHBondContact OG-CG2 3.25Å; Y641-T662 CarbonylContact O-C 3.55Å; Y641-T662 VanDerWaalsContact O-CA 3.31Å; Y641-T662 WeakPolarHBondContact O-CA 3.11Å; T642-T662 WeakPolarHBondContact OG1-CB 3.47Å; T642-T662 WeakPolarHBondContact OG1-CG2 3.45Å; T642-T662 PolarHBondContact OG1-OG1 3.01Å; T662-N664 WeakPolarHBondContact CG2-OD1 3.26Å
663I93.4Very high92.1Very high0 Ų046.4 Ų46.40%026%0.264CS..EExtended strand (participates in β ladder)trans-120.5112.5179.9-63.7157.4000106.6F579 V581 V591 F618 S640 Y641 F643 V661F579-I663 HydrophobicContact CB-CG1 4.28Å; F579-I663 HydrophobicContact CD2-CG1 4.26Å; F579-I663 WeakPolarHBondContact O-CA 3Å; V581-I663 HydrophobicContact CG1-CG2 4.29Å; V581-I663 HydrophobicContact CG2-CG2 3.64Å; V591-I663 HydrophobicContact CG1-CB 4.38Å; V591-I663 HydrophobicContact CG1-CD1 3.73Å; V591-I663 HydrophobicContact CG1-CG1 3.69Å; V591-I663 HydrophobicContact CG1-CG2 3.76Å; F618-I663 HydrophobicContact CD1-CD1 3.75Å; F618-I663 HydrophobicContact CD2-CD1 4.46Å; F618-I663 HydrophobicContact CE1-CD1 3.39Å; F618-I663 HydrophobicContact CE2-CD1 4.16Å; F618-I663 HydrophobicContact CG-CD1 4.28Å; F618-I663 HydrophobicContact CZ-CD1 3.63Å; S640-I663 WeakPolarHBondContact CA-O 3.5Å; Y641-I663 PolarHBondContact N-O 3.33Å; Y641-I663 PolarHBondContact O-N 3Å; F643-I663 HydrophobicContact CE1-CD1 3.62Å; F643-I663 HydrophobicContact CZ-CD1 4.04Å; V661-I663 HydrophobicContact CG1-CD1 4.3Å; V661-I663 HydrophobicContact CG1-CG1 4.13Å
664N93.6Very high92.2Very high38 Ų3845.5 Ų45.520%0.20326%0.256CS..EExtended strand (participates in β ladder)trans-95.8129179.1-59.9-47.1000109.3F579 F580 V581 S640 T662F579-N664 PolarHBondContact O-N 3.38Å; F580-N664 WeakPolarHBondContact CA-O 3.36Å; F580-N664 HydrophobicContact CD1-CB 3.77Å; F580-N664 HydrophobicContact CE1-CB 3.87Å; F580-N664 WeakPolarHBondContact CE1-ND2 3.3Å; V581-N664 PolarHBondContact N-O 3.04Å; S640-N664 PolarHBondContact OG-OD1 3.22Å; T662-N664 WeakPolarHBondContact CG2-OD1 3.26Å
665V93.9Very high92.2Very high12 Ų1243.9 Ų43.97%0.07324%0.244CC..EExtended strand (participates in β ladder)trans-85.5128.8175.9-173.20000108.5V581 E583 F633 R635 S639 Y641V581-V665 HydrophobicContact CG2-CG2 4.34Å; V581-V665 CarbonylContact O-C 3.5Å; V581-V665 WeakPolarHBondContact O-CA 3.11Å; E583-V665 HydrophobicContact CB-CG1 3.49Å; E583-V665 VanDerWaalsContact CB-CG1 3.49Å; F633-V665 HydrophobicContact CB-CG1 4.02Å; F633-V665 HydrophobicContact CB-CG2 4.26Å; F633-V665 HydrophobicContact CD1-CG2 3.78Å; F633-V665 HydrophobicContact CG-CG2 4.29Å; R635-V665 HydrophobicContact CB-CB 4.43Å; R635-V665 HydrophobicContact CB-CG1 3.88Å; R635-V665 HydrophobicContact CG-CB 4.2Å; R635-V665 HydrophobicContact CG-CG1 4.13Å; S639-V665 PolarHBondContact O-N 2.84Å; Y641-V665 HydrophobicContact CD2-CG2 4.17Å; Y641-V665 HydrophobicContact CE2-CG2 3.92Å
666M90.9Very high92Very high90 Ų9044.1 Ų44.144%0.44325%0.251SS..EExtended strand (participates in β ladder)trans-99.2137.9179-58.7-167.1-55.100110.3F580 V581 E583F580-M666 HydrophobicContact CB-CG 4.22Å; F580-M666 HydrophobicContact CB-SD 3.89Å; F580-M666 HydrophobicContact CD1-CG 4.46Å; V581-M666 PolarHBondContact O-N 2.97Å; E583-M666 PolarHBondContact N-O 3.04Å; E583-M666 VanDerWaalsContact N-O 3.14Å
667D90.4Very high91.7Very high36 Ų3642.7 Ų42.719%0.19324%0.241CC..PPolyproline II helixtrans-64.4136.2-176.8-163.598.5000113.5E583 R635 T707 N710E583-D667 VanDerWaalsContact OE1-CA 3.25Å; E583-D667 WeakPolarHBondContact OE1-CA 3.29Å; R635-D667 IonicContact CZ-OD1 2.63Å; R635-D667 IonicContact NE-OD1 3.7Å; R635-D667 PolarHBondContact NE-OD1 3.13Å; R635-D667 IonicContact NH2-OD1 2.6Å; R635-D667 PolarHBondContact NH2-OD1 3.46Å; D667-T707 WeakPolarHBondContact CB-OG1 3.48Å; D667-T707 WeakPolarHBondContact OD1-CB 3.07Å; D667-T707 PolarHBondContact OD1-N 2.81Å; D667-T707 PolarHBondContact OD1-OG1 2.95Å; D667-T707 PolarHBondContact OD2-N 2.94Å; D667-N710 WeakPolarHBondContact OD2-CB 3.45Å; D667-N710 PolarHBondContact OD2-ND2 3.4Å
668V89Confident91.3Very high27 Ų2741.9 Ų41.916%0.16424%0.235CC..  trans-129.9125.9174.1177.70000108.2S582 E583 D670S582-V668 WeakPolarHBondContact OG-CG2 3.46Å; E583-V668 HydrophobicContact CG-CB 4.06Å; E583-V668 HydrophobicContact CG-CG2 3.99Å; E583-V668 PolarHBondContact OE1-N 3.36Å; V668-D670 PolarHBondContact O-N 3.4Å
669N90.3Very high90.5Very high15 Ų1543.2 Ų43.28%0.0825%0.245CC..SBendtrans-62.391.4-176.9-157.2106.2000112.6D706 N710 D757 G759 K762N669-D706 VanDerWaalsContact CA-OD2 3.28Å; N669-D706 WeakPolarHBondContact CA-OD2 3.42Å; N669-N710 HydrophobicContact CB-CB 4.05Å; N669-N710 PolarHBondContact N-ND2 3.13Å; N669-N710 WeakPolarHBondContact OD1-CA 3.48Å; N669-N710 WeakPolarHBondContact OD1-CB 3.4Å; N669-N710 VanDerWaalsContact OD1-CG 3.28Å; N669-N710 PolarHBondContact OD1-O 2.61Å; N669-N710 PolarHBondContact OD1-OD1 2.88Å; N669-D757 PolarHBondContact ND2-OD2 3.13Å; N669-D757 PolarHBondContact OD1-OD2 3.23Å; N669-G759 WeakPolarHBondContact OD1-CA 3.25Å; N669-K762 PolarHBondContact ND2-O 2.76Å
670D89.4Confident89.7Confident102 Ų10245.1 Ų45.155%0.54526%0.258SS..  trans-133.7-15.5-174.1104.1-7.7000115V668 D706V668-D670 PolarHBondContact O-N 3.4Å; D670-D706 PolarHBondContact N-OD2 3.45Å; D670-D706 VanDerWaalsContact N-OD2 3.14Å
671N89.4Confident88.9Confident51 Ų5144.9 Ų44.927%0.27326%0.261SS..SBendtrans-87.7161.4164.7-62.9-82.4000111.5D704 V705 D706 L764N671-D704 WeakPolarHBondContact CB-OD1 2.92Å; N671-V705 HydrophobicContact CB-CG2 3.5Å; N671-V705 VanDerWaalsContact CB-CG2 3.5Å; N671-V705 WeakPolarHBondContact ND2-CG2 3.14Å; N671-D706 VanDerWaalsContact CB-OD1 3.26Å; N671-D706 WeakPolarHBondContact CB-OD1 3.48Å; N671-D706 PolarHBondContact N-OD2 3.46Å; N671-D706 PolarHBondContact ND2-OD1 2.82Å; N671-L764 WeakPolarHBondContact O-CD1 3.43Å
672S89.3Confident88Confident58 Ų5848.1 Ų48.141%0.40628%0.281SS..  trans-128.7143.2-173.863.90000111.9V674 D704S672-V674 WeakPolarHBondContact O-CG2 3.33Å; S672-V674 PolarHBondContact O-N 2.98Å; S672-V674 VanDerWaalsContact O-N 3.15Å; S672-D704 VanDerWaalsContact C-OD2 3.23Å
673P93.3Very high87.4Confident0 Ų049 Ų490%029%0.287CS..PPolyproline II helixtrans-56.6118-165.1-29.534.7000113.9D704 L713 I755 T766P673-D704 WeakPolarHBondContact CA-OD2 3.37Å; P673-D704 VanDerWaalsContact CD-OD2 3.24Å; P673-D704 WeakPolarHBondContact CD-OD2 3.48Å; P673-D704 WeakPolarHBondContact CG-OD2 3.46Å; P673-L713 HydrophobicContact CB-CD1 4.18Å; P673-L713 HydrophobicContact CB-CD2 3.75Å; P673-L713 HydrophobicContact CG-CD2 3.52Å; P673-I755 HydrophobicContact CB-CG2 3.97Å; P673-T766 WeakPolarHBondContact O-CB 3.47Å; P673-T766 PolarHBondContact O-OG1 2.87Å
674V90.4Very high87Confident87 Ų8751.2 Ų51.253%0.52730%0.297SS..EExtended strand (participates in β ladder)trans-92.1117.8-175.7-175.80000110.7S672 A702 V703S672-V674 WeakPolarHBondContact O-CG2 3.33Å; S672-V674 PolarHBondContact O-N 2.98Å; S672-V674 VanDerWaalsContact O-N 3.15Å; V674-A702 CarbonylContact O-C 3.5Å; V674-A702 WeakPolarHBondContact O-CA 3.38Å; V674-A702 VanDerWaalsContact O-CB 3.31Å; V674-A702 WeakPolarHBondContact O-CB 3.46Å; V674-V703 PolarHBondContact N-O 3.44Å; V674-V703 PolarHBondContact O-N 2.97Å
675V90.9Very high86.7Confident44 Ų4453.7 Ų53.727%0.26731%0.306SS..EExtended strand (participates in β ladder)trans-77.6125.9-177.4-169.40000111.9S677 A702 I755 T766 V768V675-S677 WeakPolarHBondContact CG1-O 3.28Å; V675-A702 HydrophobicContact CG2-CB 4.47Å; V675-I755 HydrophobicContact CG2-CD1 3.87Å; V675-T766 HydrophobicContact CG2-CG2 3.7Å; V675-V768 HydrophobicContact CG1-CB 4.34Å; V675-V768 HydrophobicContact CG1-CG2 4.06Å; V675-V768 HydrophobicContact CG2-CB 4.38Å
676I88Confident86.4Confident90 Ų9056.7 Ų56.746%0.46232%0.321SS..EExtended strand (participates in β ladder)trans-102.5-37.6175.4-64.2179000111.1F701 V703I676-F701 HydrophobicContact CB-CD1 4Å; I676-F701 HydrophobicContact CD1-CD1 4.3Å; I676-F701 HydrophobicContact CD1-CE1 3.97Å; I676-F701 HydrophobicContact CG2-CD1 4.23Å; I676-F701 PolarHBondContact N-O 2.8Å; I676-V703 HydrophobicContact CD1-CB 4.44Å; I676-V703 HydrophobicContact CD1-CG1 3.84Å; I676-V703 HydrophobicContact CD1-CG2 3.74Å; I676-V703 HydrophobicContact CG1-CG2 4.36Å
677S87.2Confident86.3Confident25 Ų2552.4 Ų52.418%0.17530%0.3CS..EExtended strand (participates in β ladder)trans-134.5134.8178.1-165.90000111.1V675 V700 F701V675-S677 WeakPolarHBondContact CG1-O 3.28Å; S677-V700 WeakPolarHBondContact O-CA 3.41Å; S677-F701 PolarHBondContact N-O 2.84Å; S677-F701 PolarHBondContact O-N 3.37Å
678P86.5Confident86.1Confident17 Ų1752.8 Ų52.811%0.1131%0.305CS..SBendcis-63.7143.6-5.224.4-34.7000113.6S680 S683 V768 V770P678-S680 PolarHBondContact O-N 3.45Å; P678-S680 VanDerWaalsContact O-N 3.15Å; P678-S683 VanDerWaalsContact CB-OG 3.31Å; P678-S683 WeakPolarHBondContact CB-OG 2.95Å; P678-V768 HydrophobicContact CG-CG2 3.76Å; P678-V770 HydrophobicContact CG-CG2 4.34Å
679P78.1Confident85.9Confident116 Ų11653.1 Ų53.175%0.75331%0.306SS*.SBendtrans-72.2-8.2-175.131.1-37.8000113.8
680S77.2Confident85.5Confident45 Ų4556.4 Ų56.432%0.31533%0.33SS..  trans-150.8144165.675.20000110.9P678 T682 S683P678-S680 PolarHBondContact O-N 3.45Å; P678-S680 VanDerWaalsContact O-N 3.15Å; S680-T682 PolarHBondContact O-N 3.24Å; S680-T682 PolarHBondContact OG-N 3.42Å; S680-T682 PolarHBondContact OG-OG1 2.92Å; S680-S683 PolarHBondContact O-N 2.82Å; S680-S683 PolarHBondContact O-OG 2.77Å; S680-S683 PolarHBondContact OG-N 3.01Å
681N76.7Confident85.4Confident75 Ų7552.1 Ų52.140%0.40131%0.308SS..THydrogen-bonded Turntrans-60.4-7.7169.5-78.5-39.4000113.3V768 L769 F771 M792N681-V768 WeakPolarHBondContact OD1-CG2 3.4Å; N681-L769 HydrophobicContact CB-CB 4.32Å; N681-L769 PolarHBondContact OD1-N 3.46Å; N681-F771 WeakPolarHBondContact O-CD2 3.44Å; N681-F771 WeakPolarHBondContact O-CE2 3.1Å; N681-M792 HydrophobicContact CB-CE 4.19Å; N681-M792 WeakPolarHBondContact O-CE 3.42Å
682T76.1Confident85.2Confident68 Ų6855.7 Ų55.742%0.41733%0.326SS..THydrogen-bonded Turntrans-96-8.4175.951.70000114S680 Y785 M792S680-T682 PolarHBondContact O-N 3.24Å; S680-T682 PolarHBondContact OG-N 3.42Å; S680-T682 PolarHBondContact OG-OG1 2.92Å; T682-Y785 WeakPolarHBondContact O-CE1 3.15Å; T682-M792 HydrophobicContact CG2-CE 3.68Å; T682-M792 HydrophobicContact CG2-SD 4.12Å
683S81Confident85Confident33 Ų3356.1 Ų56.123%0.23133%0.327CS..  trans-78.4149-178.866.80000111.9P678 S680P678-S683 VanDerWaalsContact CB-OG 3.31Å; P678-S683 WeakPolarHBondContact CB-OG 2.95Å; S680-S683 PolarHBondContact O-N 2.82Å; S680-S683 PolarHBondContact O-OG 2.77Å; S680-S683 PolarHBondContact OG-N 3.01Å
684F86.2Confident84.7Confident47 Ų4758.7 Ų58.721%0.20635%0.354CS..EExtended strand (participates in β ladder)trans-135153.5178.173-89.2000112.1F771 I784 Y785 I788F684-F771 CarbonylContact C-O 3.58Å; F684-F771 WeakPolarHBondContact CA-O 3.48Å; F684-F771 HydrophobicContact CB-CB 3.72Å; F684-F771 WeakPolarHBondContact CB-O 3.49Å; F684-I784 HydrophobicContact CD1-CG2 3.82Å; F684-I784 HydrophobicContact CD2-CG2 3.96Å; F684-I784 HydrophobicContact CE1-CB 4.14Å; F684-I784 HydrophobicContact CE1-CG2 3.75Å; F684-I784 HydrophobicContact CE2-CD1 3.7Å; F684-I784 HydrophobicContact CE2-CG2 3.91Å; F684-I784 HydrophobicContact CG-CG2 3.94Å; F684-I784 HydrophobicContact CZ-CB 4.07Å; F684-I784 HydrophobicContact CZ-CD1 3.66Å; F684-I784 HydrophobicContact CZ-CG1 4.47Å; F684-I784 HydrophobicContact CZ-CG2 3.81Å; F684-Y785 HydrophobicContact CD1-CE1 4.15Å; F684-Y785 HydrophobicContact CE1-CE1 4.15Å; F684-Y785 HydrophobicContact CE1-CE2 4.13Å; F684-Y785 AromaticContact CE1-CZ 3.88Å; F684-I788 HydrophobicContact CB-CD1 3.94Å; F684-I788 HydrophobicContact CD1-CD1 3.67Å; F684-I788 HydrophobicContact CG-CD1 4.13Å
685K86.3Confident84.8Confident90 Ų9056.6 Ų56.639%0.39134%0.344SS..EExtended strand (participates in β ladder)trans-109.1145.3170.6-59.7-95.4-171164.20109.3V697 A698 E699 F771 L772 Y773K685-V697 WeakPolarHBondContact CB-O 3Å; K685-A698 HydrophobicContact CG-CB 4.09Å; K685-E699 IonicContact NZ-OE1 3.82Å; K685-E699 PolarHBondContact NZ-OE1 3.42Å; K685-F771 PolarHBondContact N-O 2.68Å; K685-L772 HydrophobicContact CB-CD2 4.03Å; K685-Y773 PolarHBondContact O-N 2.63Å
686L87.6Confident84.8Confident74 Ų7458.4 Ų58.439%0.38735%0.354SS..EExtended strand (participates in β ladder)trans-90.1130.2177.1-177.368.8000109.6Y773 N775 A778L686-Y773 HydrophobicContact CD1-CD1 3.74Å; L686-Y773 HydrophobicContact CD1-CE1 4.5Å; L686-N775 VanDerWaalsContact CD1-O 3.29Å; L686-N775 WeakPolarHBondContact CD1-O 3.47Å; L686-A778 HydrophobicContact CD1-CB 4.19Å; L686-A778 HydrophobicContact CD2-CB 4.27Å
687V88.4Confident84.9Confident1 Ų155 Ų551%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-118.2105.9177.7-175.20000108.8A691 V697 L737 L772 Y773 V774 N775V687-A691 HydrophobicContact CG1-CB 4.2Å; V687-V697 HydrophobicContact CG1-CG1 3.88Å; V687-V697 HydrophobicContact CG2-CB 3.83Å; V687-V697 HydrophobicContact CG2-CG1 3.9Å; V687-L737 HydrophobicContact CG1-CD2 4.47Å; V687-L772 HydrophobicContact CG2-CB 4.24Å; V687-L772 HydrophobicContact CG2-CD2 4.33Å; V687-Y773 PolarHBondContact N-O 2.82Å; V687-V774 HydrophobicContact CB-CG2 4.16Å; V687-V774 HydrophobicContact CG1-CG2 4.49Å; V687-V774 CarbonylContact O-C 3.54Å; V687-V774 VanDerWaalsContact O-CA 3.28Å; V687-V774 WeakPolarHBondContact O-CA 3.38Å; V687-N775 PolarHBondContact O-N 3.28Å
688P86.8Confident85.1Confident44 Ų4454 Ų5429%0.28633%0.331SS..  trans-72.7155.1-179.730.9-35.3000111.7S690 A691 N775 D776P688-S690 PolarHBondContact O-N 2.71Å; P688-A691 HydrophobicContact CG-CB 4.27Å; P688-A691 WeakPolarHBondContact O-CB 3.42Å; P688-A691 PolarHBondContact O-N 2.82Å; P688-N775 WeakPolarHBondContact CA-O 3.37Å; P688-D776 WeakPolarHBondContact CB-OD1 2.99Å
689L84Confident85.2Confident34 Ų3457.4 Ų57.418%0.17835%0.345CS..THydrogen-bonded Turntrans-69.9-13.7174.5-67.3122.3000112.1A691 K740 P741 V746 D776L689-A691 VanDerWaalsContact C-N 3.32Å; L689-K740 WeakPolarHBondContact O-CE 3.13Å; L689-P741 HydrophobicContact CD2-CB 4.4Å; L689-V746 HydrophobicContact CD1-CG2 4.02Å; L689-V746 HydrophobicContact CD2-CG2 3.81Å; L689-V746 HydrophobicContact CG-CG2 4.38Å; L689-D776 PolarHBondContact N-OD1 2.97Å
690S83.4Confident85.9Confident84 Ų8451.9 Ų51.959%0.58731%0.31SS*.THydrogen-bonded Turntrans-80.8-4.1168.456.40000114.6P688P688-S690 PolarHBondContact O-N 2.71Å
691A85.8Confident86.6Confident12 Ų1254.8 Ų54.810%0.09932%0.317CS..PPolyproline II helixtrans-57.9147.1177.600000112.3V687 P688 L689 L737V687-A691 HydrophobicContact CG1-CB 4.2Å; P688-A691 HydrophobicContact CG-CB 4.27Å; P688-A691 WeakPolarHBondContact O-CB 3.42Å; P688-A691 PolarHBondContact O-N 2.82Å; L689-A691 VanDerWaalsContact C-N 3.32Å; A691-L737 HydrophobicContact CB-CD2 3.5Å; A691-L737 VanDerWaalsContact CB-CD2 3.5Å
692I85.1Confident87.3Confident125 Ų12551.4 Ų51.464%0.64130%0.299SS*.PPolyproline II helixtrans-101.4130.8-172.9-53.9175.9000108.4G694 S695I692-G694 PolarHBondContact O-N 2.79Å; I692-S695 VanDerWaalsContact O-CB 3.3Å; I692-S695 WeakPolarHBondContact O-CB 3.35Å; I692-S695 PolarHBondContact O-N 3.4Å; I692-S695 PolarHBondContact O-OG 3.49Å
693P87Confident88.1Confident67 Ų6750.8 Ų50.844%0.43530%0.295SS..THydrogen-bonded Turntrans-49.2131.4169.7-29.637.2000112L737 K740P693-L737 CarbonylContact C-O 3.45Å; P693-L737 WeakPolarHBondContact CA-O 2.94Å; P693-K740 HydrophobicContact CG-CB 4.03Å
694G86.6Confident88.6Confident55 Ų5550.3 Ų50.357%0.56729%0.29SS*.THydrogen-bonded Turntrans93-9.7-171.200000115.4I692 L737I692-G694 PolarHBondContact O-N 2.79Å; G694-L737 PolarHBondContact N-O 3.49Å
695S91.2Very high88.9Confident43 Ų4351.9 Ų51.930%0.30130%0.303SS..  trans-73.4138175.468.90000112.2I692 T736 L737I692-S695 VanDerWaalsContact O-CB 3.3Å; I692-S695 WeakPolarHBondContact O-CB 3.35Å; I692-S695 PolarHBondContact O-N 3.4Å; I692-S695 PolarHBondContact O-OG 3.49Å; S695-T736 WeakPolarHBondContact O-CA 2.99Å; S695-L737 PolarHBondContact O-N 3.47Å
696V90.7Very high89.2Confident81 Ų8147.9 Ų47.949%0.49129%0.286SS..EExtended strand (participates in β ladder)trans-70.4126.7169.6-178.10000109.4A698 N734 I735 T736V696-A698 WeakPolarHBondContact CG1-O 3.48Å; V696-N734 HydrophobicContact CG1-CB 4.19Å; V696-N734 HydrophobicContact CG2-CB 4.29Å; V696-I735 CarbonylContact C-O 3.59Å; V696-I735 WeakPolarHBondContact CA-O 3.39Å; V696-T736 HydrophobicContact CG2-CG2 3.95Å
697V91Very high89.3Confident20 Ų2047.9 Ų47.912%0.12129%0.29CS..EExtended strand (participates in β ladder)trans-108.8-24.1-178.4-69.40000113.3K685 V687 F726 I735 L737 L772K685-V697 WeakPolarHBondContact CB-O 3Å; V687-V697 HydrophobicContact CG1-CG1 3.88Å; V687-V697 HydrophobicContact CG2-CB 3.83Å; V687-V697 HydrophobicContact CG2-CG1 3.9Å; V697-F726 HydrophobicContact CG2-CD1 4.07Å; V697-F726 HydrophobicContact CG2-CE1 4.37Å; V697-I735 HydrophobicContact CG2-CB 4.49Å; V697-I735 HydrophobicContact CG2-CG2 3.97Å; V697-I735 VanDerWaalsContact CG2-O 3.28Å; V697-I735 WeakPolarHBondContact CG2-O 3.31Å; V697-I735 PolarHBondContact N-O 2.92Å; V697-L737 HydrophobicContact CG1-CB 4.01Å; V697-L772 HydrophobicContact CG2-CD1 3.93Å; V697-L772 HydrophobicContact CG2-CD2 4.4Å
698A90.4Very high89.2Confident3 Ų350.8 Ų50.83%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-153162.8170.200000110.8K685 V696 I735 V770 L772K685-A698 HydrophobicContact CG-CB 4.09Å; V696-A698 WeakPolarHBondContact CG1-O 3.48Å; A698-I735 HydrophobicContact CB-CB 4.33Å; A698-I735 HydrophobicContact CB-CD1 4.35Å; A698-I735 PolarHBondContact N-O 3.44Å; A698-I735 PolarHBondContact O-N 3.46Å; A698-V770 HydrophobicContact CB-CG1 3.84Å; A698-L772 HydrophobicContact CB-CD2 3.8Å
699E90.2Very high89.2Confident88 Ų8855 Ų5541%0.41134%0.337SS..EExtended strand (participates in β ladder)trans-116.5144.4171.267.5-125.5119.300109K685K685-E699 IonicContact NZ-OE1 3.82Å; K685-E699 PolarHBondContact NZ-OE1 3.42Å
700V91.4Very high89.4Confident1 Ų154.4 Ų54.41%0.00633%0.334CS..  trans-121.2127.9165.7-176.70000106.8S677 Y715 I728 G733 I735 V753 I755 V768 V770S677-V700 WeakPolarHBondContact O-CA 3.41Å; V700-Y715 HydrophobicContact CB-CD1 4.2Å; V700-Y715 HydrophobicContact CB-CE1 4.38Å; V700-Y715 HydrophobicContact CG1-CD1 3.93Å; V700-Y715 HydrophobicContact CG1-CE1 3.95Å; V700-I728 HydrophobicContact CB-CD1 4.46Å; V700-I728 HydrophobicContact CG2-CD1 4.26Å; V700-G733 PolarHBondContact N-O 2.8Å; V700-G733 WeakPolarHBondContact O-CA 3.36Å; V700-I735 HydrophobicContact CG2-CD1 3.86Å; V700-I735 HydrophobicContact CG2-CG1 4.4Å; V700-V753 HydrophobicContact CG1-CG1 4.31Å; V700-V753 HydrophobicContact CG2-CG1 4.46Å; V700-V753 HydrophobicContact CG2-CG2 4.36Å; V700-I755 HydrophobicContact CG1-CD1 3.62Å; V700-I755 HydrophobicContact CG1-CG1 4.31Å; V700-V768 HydrophobicContact CG1-CG1 3.77Å; V700-V770 HydrophobicContact CG2-CG2 3.58Å
701F92Very high89.7Confident105 Ų10551.8 Ų51.846%0.46132%0.317SS..EExtended strand (participates in β ladder)trans-139.3126-178.6-176.9-116.5000110I676 S677 V703I676-F701 HydrophobicContact CB-CD1 4Å; I676-F701 HydrophobicContact CD1-CD1 4.3Å; I676-F701 HydrophobicContact CD1-CE1 3.97Å; I676-F701 HydrophobicContact CG2-CD1 4.23Å; I676-F701 PolarHBondContact N-O 2.8Å; S677-F701 PolarHBondContact N-O 2.84Å; S677-F701 PolarHBondContact O-N 3.37Å; F701-V703 HydrophobicContact CE1-CG1 4Å; F701-V703 HydrophobicContact CZ-CG1 3.77Å
702A92.6Very high89.9Confident4 Ų456 Ų563%0.03334%0.335CS..EExtended strand (participates in β ladder)trans-131.5165.7173.800000109.6V674 V675 L713 Y715 I755V674-A702 CarbonylContact O-C 3.5Å; V674-A702 WeakPolarHBondContact O-CA 3.38Å; V674-A702 VanDerWaalsContact O-CB 3.31Å; V674-A702 WeakPolarHBondContact O-CB 3.46Å; V675-A702 HydrophobicContact CG2-CB 4.47Å; A702-L713 HydrophobicContact CB-CD1 3.74Å; A702-L713 WeakPolarHBondContact O-CD1 3.48Å; A702-Y715 PolarHBondContact N-OH 2.8Å; A702-Y715 PolarHBondContact O-OH 2.9Å; A702-I755 HydrophobicContact CB-CD1 3.9Å; A702-I755 HydrophobicContact CB-CG2 4.03Å
703V92Very high90.3Very high56 Ų5651.2 Ų51.234%0.33931%0.311SS..EExtended strand (participates in β ladder)trans-133.4152.2173.1-650000108.9V674 I676 F701V674-V703 PolarHBondContact N-O 3.44Å; V674-V703 PolarHBondContact O-N 2.97Å; I676-V703 HydrophobicContact CD1-CB 4.44Å; I676-V703 HydrophobicContact CD1-CG1 3.84Å; I676-V703 HydrophobicContact CD1-CG2 3.74Å; I676-V703 HydrophobicContact CG1-CG2 4.36Å; F701-V703 HydrophobicContact CE1-CG1 4Å; F701-V703 HydrophobicContact CZ-CG1 3.77Å
704D92.6Very high90.5Very high23 Ų2352.7 Ų52.712%0.12331%0.31CS..  trans-114166.1161.9-132-55.6000110.7N671 S672 P673 A711 L713N671-D704 WeakPolarHBondContact CB-OD1 2.92Å; S672-D704 VanDerWaalsContact C-OD2 3.23Å; P673-D704 WeakPolarHBondContact CA-OD2 3.37Å; P673-D704 VanDerWaalsContact CD-OD2 3.24Å; P673-D704 WeakPolarHBondContact CD-OD2 3.48Å; P673-D704 WeakPolarHBondContact CG-OD2 3.46Å; D704-A711 HydrophobicContact CB-CB 3.74Å; D704-L713 HydrophobicContact CB-CD2 4.28Å
705V91.9Very high90.8Very high79 Ų7950.5 Ų50.548%0.47929%0.285SS..SBendtrans-107.7-13.5-179.8-63.50000113.4R635 E636 N671R635-V705 PolarHBondContact NH2-O 2.9Å; R635-V705 VanDerWaalsContact NH2-O 3.07Å; E636-V705 HydrophobicContact CG-CB 4.06Å; E636-V705 HydrophobicContact CG-CG2 3.8Å; N671-V705 HydrophobicContact CB-CG2 3.5Å; N671-V705 VanDerWaalsContact CB-CG2 3.5Å; N671-V705 WeakPolarHBondContact ND2-CG2 3.14Å
706D92.9Very high90.9Very high7 Ų750.9 Ų50.94%0.03729%0.285CS..SBendtrans-64.1-174.8170.2-67.76.1000111.1R635 N669 D670 N671 N710 A711R635-D706 VanDerWaalsContact NH2-C 3.26Å; R635-D706 VanDerWaalsContact NH2-CA 3.29Å; N669-D706 VanDerWaalsContact CA-OD2 3.28Å; N669-D706 WeakPolarHBondContact CA-OD2 3.42Å; D670-D706 PolarHBondContact N-OD2 3.45Å; D670-D706 VanDerWaalsContact N-OD2 3.14Å; N671-D706 VanDerWaalsContact CB-OD1 3.26Å; N671-D706 WeakPolarHBondContact CB-OD1 3.48Å; N671-D706 PolarHBondContact N-OD2 3.46Å; N671-D706 PolarHBondContact ND2-OD1 2.82Å; D706-N710 HydrophobicContact CB-CB 3.77Å; D706-A711 VanDerWaalsContact C-CB 3.49Å; D706-A711 HydrophobicContact CB-CB 4.28Å; D706-A711 WeakPolarHBondContact O-CB 3.49Å
707T88.4Confident91Very high74 Ų7448.9 Ų48.945%0.45427%0.272SS..  trans-134.1152.5-177.852.10000115.2D667 M709 N710D667-T707 WeakPolarHBondContact CB-OG1 3.48Å; D667-T707 WeakPolarHBondContact OD1-CB 3.07Å; D667-T707 PolarHBondContact OD1-N 2.81Å; D667-T707 PolarHBondContact OD1-OG1 2.95Å; D667-T707 PolarHBondContact OD2-N 2.94Å; T707-M709 PolarHBondContact O-N 3.37Å; T707-N710 PolarHBondContact O-N 3.37Å
708G87.5Confident90.8Very high61 Ų6151.1 Ų51.163%0.62929%0.285SS*.G310 helixtrans65.7-133.2-177.300000111.5N710 A711 E712G708-N710 PolarHBondContact O-N 3.42Å; G708-A711 PolarHBondContact O-N 3.47Å; G708-E712 PolarHBondContact O-N 2.98Å
709M86.5Confident90.5Very high132 Ų13251.9 Ų51.965%0.6529%0.29SS*.G310 helixtrans-65.1-24.1-179.9-68.3176.6175.800113.1T707 A711 E712 L758T707-M709 PolarHBondContact O-N 3.37Å; M709-A711 PolarHBondContact O-N 3.39Å; M709-E712 PolarHBondContact O-N 2.94Å; M709-L758 HydrophobicContact CB-CB 4.42Å; M709-L758 CarbonylContact O-C 3.43Å; M709-L758 WeakPolarHBondContact O-CA 3.26Å; M709-L758 PolarHBondContact O-N 2.81Å
710N88.7Confident90.1Very high22 Ų2248.6 Ų48.612%0.11828%0.28CS..G310 helixtrans-70.9-22.8179.2-64.1-5.9000112.1D667 N669 D706 T707 G708 D757 G759D667-N710 WeakPolarHBondContact OD2-CB 3.45Å; D667-N710 PolarHBondContact OD2-ND2 3.4Å; N669-N710 HydrophobicContact CB-CB 4.05Å; N669-N710 PolarHBondContact N-ND2 3.13Å; N669-N710 WeakPolarHBondContact OD1-CA 3.48Å; N669-N710 WeakPolarHBondContact OD1-CB 3.4Å; N669-N710 VanDerWaalsContact OD1-CG 3.28Å; N669-N710 PolarHBondContact OD1-O 2.61Å; N669-N710 PolarHBondContact OD1-OD1 2.88Å; D706-N710 HydrophobicContact CB-CB 3.77Å; T707-N710 PolarHBondContact O-N 3.37Å; G708-N710 PolarHBondContact O-N 3.42Å; N710-D757 VanDerWaalsContact O-CB 3.24Å; N710-D757 WeakPolarHBondContact O-CB 3.23Å; N710-G759 WeakPolarHBondContact OD1-CA 3.32Å
711A89.2Confident89.9Confident29 Ų2950.6 Ų50.624%0.2429%0.291CS..G310 helixtrans-109.56.417100000114.5D704 D706 G708 M709 L713D704-A711 HydrophobicContact CB-CB 3.74Å; D706-A711 VanDerWaalsContact C-CB 3.49Å; D706-A711 HydrophobicContact CB-CB 4.28Å; D706-A711 WeakPolarHBondContact O-CB 3.49Å; G708-A711 PolarHBondContact O-N 3.47Å; M709-A711 PolarHBondContact O-N 3.39Å; A711-L713 PolarHBondContact O-N 2.92Å
712E90.6Very high89.3Confident102 Ų10252.4 Ų52.448%0.47731%0.305SS..  trans-82.3111.9176.5-169.6174.1178.700109.7G708 M709 D757 L758G708-E712 PolarHBondContact O-N 2.98Å; M709-E712 PolarHBondContact O-N 2.94Å; E712-D757 CarbonylContact O-C 3.6Å; E712-D757 VanDerWaalsContact O-C 3.26Å; E712-D757 WeakPolarHBondContact O-CA 3.19Å; E712-L758 HydrophobicContact CB-CD1 4.1Å; E712-L758 HydrophobicContact CB-CG 4.44Å; E712-L758 HydrophobicContact CG-CD1 3.82Å; E712-L758 WeakPolarHBondContact O-CG 3.2Å; E712-L758 PolarHBondContact O-N 3.38Å
713L92.4Very high88.7Confident24 Ų2457.6 Ų57.613%0.12633%0.327CS..  trans-93.5142.2-169.8-59.3-171.7000114.1P673 A702 D704 A711 Y715 I755 S756 D757P673-L713 HydrophobicContact CB-CD1 4.18Å; P673-L713 HydrophobicContact CB-CD2 3.75Å; P673-L713 HydrophobicContact CG-CD2 3.52Å; A702-L713 HydrophobicContact CB-CD1 3.74Å; A702-L713 WeakPolarHBondContact O-CD1 3.48Å; D704-L713 HydrophobicContact CB-CD2 4.28Å; A711-L713 PolarHBondContact O-N 2.92Å; L713-Y715 HydrophobicContact CB-CE2 3.99Å; L713-I755 HydrophobicContact CB-CG2 4.32Å; L713-I755 HydrophobicContact CD1-CG2 4.16Å; L713-S756 CarbonylContact C-O 3.51Å; L713-S756 WeakPolarHBondContact CA-O 3.5Å; L713-D757 HydrophobicContact CD2-CB 4.32Å
714K91.7Very high88.2Confident97 Ų9756.8 Ų56.842%0.42233%0.33SS..EExtended strand (participates in β ladder)trans-124.7117-179.2-177.4-177.8177.3-178.30111.6P730 I755 S756 L758K714-P730 WeakPolarHBondContact CA-O 3.36Å; K714-I755 WeakPolarHBondContact O-CA 3.33Å; K714-S756 PolarHBondContact N-O 3.09Å; K714-S756 PolarHBondContact O-N 3.48Å; K714-S756 VanDerWaalsContact O-N 3.11Å; K714-L758 HydrophobicContact CB-CD2 4.13Å; K714-L758 HydrophobicContact CD-CD2 3.95Å
715Y94Very high87.9Confident9 Ų955.9 Ų55.94%0.03533%0.325CS..EExtended strand (participates in β ladder)trans-95.9131.6-175.5-60.6-96.2000111.8V700 A702 L713 P730 I755V700-Y715 HydrophobicContact CB-CD1 4.2Å; V700-Y715 HydrophobicContact CB-CE1 4.38Å; V700-Y715 HydrophobicContact CG1-CD1 3.93Å; V700-Y715 HydrophobicContact CG1-CE1 3.95Å; A702-Y715 PolarHBondContact N-OH 2.8Å; A702-Y715 PolarHBondContact O-OH 2.9Å; L713-Y715 HydrophobicContact CB-CE2 3.99Å; Y715-P730 PolarHBondContact N-O 2.89Å; Y715-P730 VanDerWaalsContact O-CA 3.31Å; Y715-P730 WeakPolarHBondContact O-CA 3.44Å; Y715-I755 HydrophobicContact CD1-CD1 4.16Å; Y715-I755 HydrophobicContact CD1-CG1 3.79Å; Y715-I755 HydrophobicContact CD1-CG2 4.13Å; Y715-I755 HydrophobicContact CE1-CD1 3.93Å; Y715-I755 HydrophobicContact CE1-CG1 3.99Å; Y715-I755 HydrophobicContact CE1-CG2 3.87Å
716T92.8Very high87.9Confident51 Ų5152.3 Ų52.331%0.31330%0.303SS..EExtended strand (participates in β ladder)trans-144.8135.5-179540000112.5V718 V753 N754T716-V718 PolarHBondContact O-N 3.1Å; T716-V753 CarbonylContact O-C 3.54Å; T716-V753 VanDerWaalsContact O-CA 3.27Å; T716-V753 WeakPolarHBondContact O-CA 3.07Å; T716-N754 PolarHBondContact N-O 2.85Å; T716-N754 PolarHBondContact O-N 2.83Å; T716-N754 PolarHBondContact OG1-O 3.45Å; T716-N754 VanDerWaalsContact OG1-O 3.13Å
717I91.5Very high87.8Confident40 Ų4059 Ų5921%0.20533%0.328CS..EExtended strand (participates in β ladder)trans-82.6114.4169.7-64.7162.4000108.2S719 N721 I728 L751 V753I717-S719 WeakPolarHBondContact CG2-O 3.47Å; I717-N721 HydrophobicContact CG2-CB 3.94Å; I717-I728 HydrophobicContact CD1-CB 3.89Å; I717-I728 HydrophobicContact CD1-CG2 4.14Å; I717-I728 HydrophobicContact CG1-CB 3.93Å; I717-I728 HydrophobicContact CG1-CG2 3.82Å; I717-L751 HydrophobicContact CD1-CD1 4.21Å; I717-L751 HydrophobicContact CG2-CD2 4.37Å; I717-V753 HydrophobicContact CG1-CG2 4.06Å
718V86.7Confident88Confident67 Ų6756.2 Ų56.241%0.40631%0.31SS..EExtended strand (participates in β ladder)trans-86.8-33.4178.7-147.10000111.8T716 V752 N754 I800T716-V718 PolarHBondContact O-N 3.1Å; V718-V752 HydrophobicContact CG2-CG1 4.33Å; V718-V752 PolarHBondContact N-O 3Å; V718-N754 HydrophobicContact CG2-CB 3.37Å; V718-I800 HydrophobicContact CG1-CG1 4.45Å
719S84.1Confident88.3Confident18 Ų1856.1 Ų56.113%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-157.2166.9-174.5-148.40000113.6I717 V752 N799I717-S719 WeakPolarHBondContact CG2-O 3.47Å; S719-V752 PolarHBondContact N-O 2.97Å; S719-V752 PolarHBondContact O-N 3.39Å; S719-N799 PolarHBondContact OG-ND2 2.9Å
720G83.4Confident88.5Confident20 Ų2053 Ų5321%0.20629%0.285CS..SBendtrans93.9-24.717700000115N722 R750G720-N722 PolarHBondContact O-N 2.89Å; G720-R750 VanDerWaalsContact CA-O 3.25Å; G720-R750 WeakPolarHBondContact CA-O 3.06Å
721N86.4Confident88.6Confident42 Ų4257 Ų5723%0.22531%0.31CS..  trans-82.544.2-179.4-170.534000113.1I717 K723 G724 L725 F726 L751I717-N721 HydrophobicContact CG2-CB 3.94Å; N721-K723 PolarHBondContact O-N 2.88Å; N721-G724 PolarHBondContact O-N 2.69Å; N721-L725 PolarHBondContact OD1-N 3.13Å; N721-F726 PolarHBondContact ND2-O 3.33Å; N721-F726 PolarHBondContact OD1-N 3.08Å; N721-F726 PolarHBondContact OD1-O 2.83Å; N721-L751 HydrophobicContact CB-CD2 3.93Å
722N78.5Confident88.6Confident143 Ų14359 Ų5977%0.76532%0.319SS*.THydrogen-bonded Turntrans-64.7-15.4-165.8-61.712.3000114.4G720G720-N722 PolarHBondContact O-N 2.89Å
723K80Confident88.7Confident114 Ų11454.1 Ų54.150%0.49630%0.296SS..THydrogen-bonded Turntrans-104.4-3.6176.1-66.7-170.9-175.2-172.20113.9N721 L725 T744 D745N721-K723 PolarHBondContact O-N 2.88Å; K723-L725 VanDerWaalsContact C-N 3.26Å; K723-L725 HydrophobicContact CB-CD1 4.22Å; K723-L725 HydrophobicContact CB-CG 3.92Å; K723-L725 HydrophobicContact CD-CD1 4.3Å; K723-L725 PolarHBondContact O-N 3.39Å; K723-T744 PolarHBondContact NZ-O 2.86Å; K723-D745 WeakPolarHBondContact CD-OD1 3.32Å; K723-D745 WeakPolarHBondContact CE-OD1 3.4Å; K723-D745 IonicContact NZ-OD1 2.66Å; K723-D745 PolarHBondContact NZ-OD1 2.83Å
724G83.5Confident88.7Confident39 Ų3955.6 Ų55.640%0.40230%0.304SS..SBendtrans73.38.9-175.900000115.6N721 F726N721-G724 PolarHBondContact O-N 2.69Å; G724-F726 PolarHBondContact O-N 2.93Å
725L86.1Confident88.8Confident4 Ų451 Ų512%0.02128%0.284CS..  trans-59.4-30.6-177-66.5171000113.5N721 K723 L737 E738 E739 D745N721-L725 PolarHBondContact OD1-N 3.13Å; K723-L725 VanDerWaalsContact C-N 3.26Å; K723-L725 HydrophobicContact CB-CD1 4.22Å; K723-L725 HydrophobicContact CB-CG 3.92Å; K723-L725 HydrophobicContact CD-CD1 4.3Å; K723-L725 PolarHBondContact O-N 3.39Å; L725-L737 CarbonylContact O-C 3.5Å; L725-E738 PolarHBondContact O-N 2.92Å; L725-E739 HydrophobicContact CD2-CB 4.3Å; L725-D745 HydrophobicContact CD1-CB 4Å
726F90.7Very high88.7Confident4 Ų452 Ų522%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-114.6154.9-174.6-50.2-71000111.3V697 N721 G724 I735 T736 L737 H749 L751 L772 V774V697-F726 HydrophobicContact CG2-CD1 4.07Å; V697-F726 HydrophobicContact CG2-CE1 4.37Å; N721-F726 PolarHBondContact ND2-O 3.33Å; N721-F726 PolarHBondContact OD1-N 3.08Å; N721-F726 PolarHBondContact OD1-O 2.83Å; G724-F726 PolarHBondContact O-N 2.93Å; F726-I735 HydrophobicContact CB-CG2 4.06Å; F726-T736 CarbonylContact C-O 3.58Å; F726-T736 WeakPolarHBondContact CA-O 3.36Å; F726-L737 HydrophobicContact CD1-CD1 4.16Å; F726-L737 HydrophobicContact CE1-CD1 3.92Å; F726-H749 HydrophobicContact CE2-CB 3.81Å; F726-H749 AromaticContact CE2-CG 3.74Å; F726-H749 AromaticContact CE2-ND1 3.73Å; F726-H749 HydrophobicContact CZ-CB 4.27Å; F726-L751 HydrophobicContact CB-CD1 4.11Å; F726-L751 HydrophobicContact CD2-CD1 4.22Å; F726-L751 HydrophobicContact CD2-CD2 4Å; F726-L751 HydrophobicContact CG-CD1 4.18Å; F726-L772 HydrophobicContact CD1-CD1 3.49Å; F726-L772 VanDerWaalsContact CD1-CD1 3.49Å; F726-L772 HydrophobicContact CD2-CD1 4.24Å; F726-L772 HydrophobicContact CE1-CB 4.49Å; F726-L772 HydrophobicContact CE1-CD1 3.41Å; F726-L772 VanDerWaalsContact CE1-CD1 3.41Å; F726-L772 HydrophobicContact CE2-CD1 4.16Å; F726-L772 HydrophobicContact CG-CD1 3.92Å; F726-L772 HydrophobicContact CZ-CB 4.25Å; F726-L772 HydrophobicContact CZ-CD1 3.76Å; F726-V774 HydrophobicContact CZ-CG2 4.18Å
727R91.2Very high88.6Confident146 Ų14649.6 Ų49.655%0.55128%0.277SS*.EExtended strand (participates in β ladder)trans-141142174.4177.7177.3176.8175.1-5.3108.4I735 T736 E738R727-I735 CarbonylContact O-C 3.58Å; R727-I735 VanDerWaalsContact O-CA 3.23Å; R727-I735 WeakPolarHBondContact O-CA 2.99Å; R727-T736 PolarHBondContact N-O 2.82Å; R727-T736 PolarHBondContact O-N 3.48Å; R727-T736 PolarHBondContact O-OG1 2.95Å; R727-E738 WeakPolarHBondContact CD-OE2 3.25Å; R727-E738 IonicContact NH1-OE1 3.14Å; R727-E738 PolarHBondContact NH1-OE1 2.82Å; R727-E738 IonicContact NH1-OE2 2.79Å
728I93.7Very high88.3Confident17 Ų1752.1 Ų52.19%0.08729%0.288CS..EExtended strand (participates in β ladder)trans-105.8139.2170.9-161.7162000109.6V700 I717 N734 I735 V753V700-I728 HydrophobicContact CB-CD1 4.46Å; V700-I728 HydrophobicContact CG2-CD1 4.26Å; I717-I728 HydrophobicContact CD1-CB 3.89Å; I717-I728 HydrophobicContact CD1-CG2 4.14Å; I717-I728 HydrophobicContact CG1-CB 3.93Å; I717-I728 HydrophobicContact CG1-CG2 3.82Å; I728-N734 WeakPolarHBondContact CA-O 3.34Å; I728-I735 HydrophobicContact CB-CG1 4.23Å; I728-I735 HydrophobicContact CD1-CD1 4.29Å; I728-I735 HydrophobicContact CD1-CG1 3.85Å; I728-I735 HydrophobicContact CG1-CG1 3.89Å; I728-V753 HydrophobicContact CD1-CG1 3.68Å; I728-V753 HydrophobicContact CD1-CG2 4.11Å
729D92.6Very high88.2Confident58 Ų5855 Ų5531%0.3130%0.297SS..  trans-72.1121.5164.6179.9-26.5000108.6V731 T732 G733 N734D729-V731 PolarHBondContact O-N 2.88Å; D729-V731 PolarHBondContact OD1-N 2.87Å; D729-T732 VanDerWaalsContact CB-OG1 3.32Å; D729-T732 WeakPolarHBondContact CB-OG1 3.33Å; D729-T732 PolarHBondContact OD1-N 2.66Å; D729-T732 WeakPolarHBondContact OD2-CB 3.48Å; D729-T732 VanDerWaalsContact OD2-CG2 3.31Å; D729-T732 WeakPolarHBondContact OD2-CG2 3.48Å; D729-T732 PolarHBondContact OD2-OG1 2.97Å; D729-G733 WeakPolarHBondContact O-CA 3.43Å; D729-G733 PolarHBondContact O-N 2.92Å; D729-N734 PolarHBondContact N-O 3.48Å
730P92Very high88.2Confident68 Ų6859.8 Ų59.844%0.44232%0.315SS..THydrogen-bonded Turntrans-69.4-14.5-175.529.8-36000114.5K714 Y715K714-P730 WeakPolarHBondContact CA-O 3.36Å; Y715-P730 PolarHBondContact N-O 2.89Å; Y715-P730 VanDerWaalsContact O-CA 3.31Å; Y715-P730 WeakPolarHBondContact O-CA 3.44Å
731V90.1Very high88.3Confident106 Ų10659.2 Ų59.264%0.64231%0.308SS*.THydrogen-bonded Turntrans-105.6-45.2178.9-177.90000110.9D729D729-V731 PolarHBondContact O-N 2.88Å; D729-V731 PolarHBondContact OD1-N 2.87Å
732T89.8Confident88.2Confident70 Ų7058.9 Ų58.943%0.42931%0.311SS..THydrogen-bonded Turntrans-92.2-6.9-174.474.50000114.8D729 N734D729-T732 VanDerWaalsContact CB-OG1 3.32Å; D729-T732 WeakPolarHBondContact CB-OG1 3.33Å; D729-T732 PolarHBondContact OD1-N 2.66Å; D729-T732 WeakPolarHBondContact OD2-CB 3.48Å; D729-T732 VanDerWaalsContact OD2-CG2 3.31Å; D729-T732 WeakPolarHBondContact OD2-CG2 3.48Å; D729-T732 PolarHBondContact OD2-OG1 2.97Å; T732-N734 WeakPolarHBondContact CB-ND2 3.32Å; T732-N734 PolarHBondContact O-N 3.06Å; T732-N734 PolarHBondContact OG1-ND2 3.33Å
733G91.5Very high88.3Confident0 Ų057.6 Ų57.60%031%0.31CS..  trans65.71.9-18000000115V700 D729 I735V700-G733 PolarHBondContact N-O 2.8Å; V700-G733 WeakPolarHBondContact O-CA 3.36Å; D729-G733 WeakPolarHBondContact O-CA 3.43Å; D729-G733 PolarHBondContact O-N 2.92Å; G733-I735 PolarHBondContact O-N 3.28Å
734N93.6Very high88.4Confident54 Ų5457.7 Ų57.729%0.28932%0.321SS..EExtended strand (participates in β ladder)trans-68.4130.2176.4-75.6-66.7000110.8V696 I728 D729 T732V696-N734 HydrophobicContact CG1-CB 4.19Å; V696-N734 HydrophobicContact CG2-CB 4.29Å; I728-N734 WeakPolarHBondContact CA-O 3.34Å; D729-N734 PolarHBondContact N-O 3.48Å; T732-N734 WeakPolarHBondContact CB-ND2 3.32Å; T732-N734 PolarHBondContact O-N 3.06Å; T732-N734 PolarHBondContact OG1-ND2 3.33Å
735I92.3Very high88.4Confident0 Ų056.4 Ų56.40%031%0.305CS..EExtended strand (participates in β ladder)trans-97.9111.1175.4-58.7176.8000108.4V696 V697 A698 V700 F726 R727 I728 G733 L751 V753 V770 L772V696-I735 CarbonylContact C-O 3.59Å; V696-I735 WeakPolarHBondContact CA-O 3.39Å; V697-I735 HydrophobicContact CG2-CB 4.49Å; V697-I735 HydrophobicContact CG2-CG2 3.97Å; V697-I735 VanDerWaalsContact CG2-O 3.28Å; V697-I735 WeakPolarHBondContact CG2-O 3.31Å; V697-I735 PolarHBondContact N-O 2.92Å; A698-I735 HydrophobicContact CB-CB 4.33Å; A698-I735 HydrophobicContact CB-CD1 4.35Å; A698-I735 PolarHBondContact N-O 3.44Å; A698-I735 PolarHBondContact O-N 3.46Å; V700-I735 HydrophobicContact CG2-CD1 3.86Å; V700-I735 HydrophobicContact CG2-CG1 4.4Å; F726-I735 HydrophobicContact CB-CG2 4.06Å; R727-I735 CarbonylContact O-C 3.58Å; R727-I735 VanDerWaalsContact O-CA 3.23Å; R727-I735 WeakPolarHBondContact O-CA 2.99Å; I728-I735 HydrophobicContact CB-CG1 4.23Å; I728-I735 HydrophobicContact CD1-CD1 4.29Å; I728-I735 HydrophobicContact CD1-CG1 3.85Å; I728-I735 HydrophobicContact CG1-CG1 3.89Å; G733-I735 PolarHBondContact O-N 3.28Å; I735-L751 HydrophobicContact CD1-CD1 4.09Å; I735-L751 HydrophobicContact CG2-CD1 4.13Å; I735-V753 HydrophobicContact CD1-CG2 4.29Å; I735-V770 HydrophobicContact CD1-CB 4.21Å; I735-V770 HydrophobicContact CD1-CG1 4.03Å; I735-V770 HydrophobicContact CD1-CG2 4.06Å; I735-L772 HydrophobicContact CG2-CD1 4.38Å
736T91.7Very high88.4Confident31 Ų3159.4 Ų59.419%0.1932%0.323CS..EExtended strand (participates in β ladder)trans-94.9157.1174.5540000112S695 V696 F726 R727S695-T736 WeakPolarHBondContact O-CA 2.99Å; V696-T736 HydrophobicContact CG2-CG2 3.95Å; F726-T736 CarbonylContact C-O 3.58Å; F726-T736 WeakPolarHBondContact CA-O 3.36Å; R727-T736 PolarHBondContact N-O 2.82Å; R727-T736 PolarHBondContact O-N 3.48Å; R727-T736 PolarHBondContact O-OG1 2.95Å
737L91.5Very high88.2Confident1 Ų160.2 Ų60.21%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-91.8117171.5-176.771.2000109.7V687 A691 P693 G694 S695 V697 L725 F726 E739 P741V687-L737 HydrophobicContact CG1-CD2 4.47Å; A691-L737 HydrophobicContact CB-CD2 3.5Å; A691-L737 VanDerWaalsContact CB-CD2 3.5Å; P693-L737 CarbonylContact C-O 3.45Å; P693-L737 WeakPolarHBondContact CA-O 2.94Å; G694-L737 PolarHBondContact N-O 3.49Å; S695-L737 PolarHBondContact O-N 3.47Å; V697-L737 HydrophobicContact CG1-CB 4.01Å; L725-L737 CarbonylContact O-C 3.5Å; F726-L737 HydrophobicContact CD1-CD1 4.16Å; F726-L737 HydrophobicContact CE1-CD1 3.92Å; L737-E739 WeakPolarHBondContact CD1-O 3.23Å; L737-E739 WeakPolarHBondContact CG-O 3.49Å; L737-P741 HydrophobicContact CD1-CG 4.29Å; L737-P741 HydrophobicContact CD2-CG 4.16Å
738E85.9Confident88Confident93 Ų9354.8 Ų54.844%0.43531%0.314SS..  trans-87.5-37.4-175.7-157.283.5172.700112L725 R727L725-E738 PolarHBondContact O-N 2.92Å; R727-E738 WeakPolarHBondContact CD-OE2 3.25Å; R727-E738 IonicContact NH1-OE1 3.14Å; R727-E738 PolarHBondContact NH1-OE1 2.82Å; R727-E738 IonicContact NH1-OE2 2.79Å
739E84.7Confident87.6Confident126 Ų12655.4 Ų55.459%0.58932%0.317SS*.SBendtrans-122148.1178-175.2168.9-160.500111.3L725 L737L725-E739 HydrophobicContact CD2-CB 4.3Å; L737-E739 WeakPolarHBondContact CD1-O 3.23Å; L737-E739 WeakPolarHBondContact CG-O 3.49Å
740K83.6Confident87.4Confident119 Ų11954.6 Ų54.652%0.51731%0.309SS..PPolyproline II helixtrans-69.8133179.7-177.1174.7-179.7176.80110L689 P693 A742L689-K740 WeakPolarHBondContact O-CE 3.13Å; P693-K740 HydrophobicContact CG-CB 4.03Å; K740-A742 PolarHBondContact O-N 2.85Å
741P84.7Confident87.3Confident9 Ų951.4 Ų51.46%0.05829%0.288CS..PPolyproline II helixtrans-67.8127.9-173.1-14.430.5000110.8L689 L737 D745 V774L689-P741 HydrophobicContact CD2-CB 4.4Å; L737-P741 HydrophobicContact CD1-CG 4.29Å; L737-P741 HydrophobicContact CD2-CG 4.16Å; P741-D745 HydrophobicContact CB-CB 4.36Å; P741-V774 HydrophobicContact CB-CG1 3.73Å; P741-V774 HydrophobicContact CG-CG1 4.35Å
742A83.9Confident87.2Confident35 Ų3546.8 Ų46.829%0.28926%0.26SS..PPolyproline II helixtrans-81.4162.7172.300000110.8K740 T744 D745K740-A742 PolarHBondContact O-N 2.85Å; A742-T744 PolarHBondContact O-N 3.35Å; A742-D745 WeakPolarHBondContact CB-OD2 3.32Å; A742-D745 PolarHBondContact N-OD2 3.05Å; A742-D745 WeakPolarHBondContact O-CB 3.12Å; A742-D745 PolarHBondContact O-N 2.81Å
743P81Confident87.3Confident115 Ų11543.4 Ų43.475%0.74724%0.24SC*.THydrogen-bonded Turntrans-57.7-16.6170.9-25.535.7000114.2
744T82.5Confident87.3Confident116 Ų11644.9 Ų44.971%0.71225%0.248SC*.THydrogen-bonded Turntrans-88.31.4175510000114K723 A742K723-T744 PolarHBondContact NZ-O 2.86Å; A742-T744 PolarHBondContact O-N 3.35Å
745D84Confident87.2Confident12 Ų1242.3 Ų42.36%0.06423%0.234CC..SBendtrans-104.1-4.9175.3-59.6-46.3000113.3K723 L725 P741 A742 G747 H749 V774K723-D745 WeakPolarHBondContact CD-OD1 3.32Å; K723-D745 WeakPolarHBondContact CE-OD1 3.4Å; K723-D745 IonicContact NZ-OD1 2.66Å; K723-D745 PolarHBondContact NZ-OD1 2.83Å; L725-D745 HydrophobicContact CD1-CB 4Å; P741-D745 HydrophobicContact CB-CB 4.36Å; A742-D745 WeakPolarHBondContact CB-OD2 3.32Å; A742-D745 PolarHBondContact N-OD2 3.05Å; A742-D745 WeakPolarHBondContact O-CB 3.12Å; A742-D745 PolarHBondContact O-N 2.81Å; D745-G747 PolarHBondContact O-N 3.34Å; D745-H749 PolarHBondContact O-NE2 3.36Å; D745-V774 HydrophobicContact CB-CG1 4.41Å; D745-V774 WeakPolarHBondContact O-CB 3.3Å
746V85.1Confident87.2Confident68 Ų6843.2 Ų43.241%0.41224%0.24SC..  trans-61.9119.9-179.6178.10000110.6L689 V774L689-V746 HydrophobicContact CD1-CG2 4.02Å; L689-V746 HydrophobicContact CD2-CG2 3.81Å; L689-V746 HydrophobicContact CG-CG2 4.38Å; V746-V774 VanDerWaalsContact CA-O 3.31Å; V746-V774 WeakPolarHBondContact CA-O 3.45Å
747G85.9Confident87.2Confident21 Ų2141.7 Ų41.722%0.21623%0.231CC..EExtended strand (participates in β ladder)trans154.2-173.3-175.600000113.8D745 V774D745-G747 PolarHBondContact O-N 3.34Å; G747-V774 PolarHBondContact N-O 2.77Å; G747-V774 VanDerWaalsContact N-O 3.13Å; G747-V774 PolarHBondContact O-N 2.61Å
748L87.2Confident86.9Confident32 Ų3245.2 Ų45.217%0.16825%0.25CC..EExtended strand (participates in β ladder)trans-92.8121174.9-175.270000110.3F771 Y773 I784 L787 I788 T791L748-F771 HydrophobicContact CD1-CB 4.13Å; L748-F771 HydrophobicContact CD1-CD1 3.96Å; L748-F771 HydrophobicContact CD2-CD1 3.8Å; L748-F771 HydrophobicContact CD2-CE1 4.08Å; L748-F771 HydrophobicContact CG-CD1 3.97Å; L748-Y773 HydrophobicContact CB-CD2 4.23Å; L748-Y773 HydrophobicContact CD1-CD2 4.38Å; L748-I784 HydrophobicContact CD1-CG2 4.35Å; L748-L787 HydrophobicContact CB-CB 4.45Å; L748-L787 HydrophobicContact CB-CD2 4.01Å; L748-L787 HydrophobicContact CD2-CB 3.77Å; L748-I788 HydrophobicContact CD1-CG1 4.13Å; L748-I788 HydrophobicContact CD2-CB 4.32Å; L748-I788 HydrophobicContact CD2-CG1 3.59Å; L748-T791 HydrophobicContact CD2-CG2 4.48Å
749H87Confident86.7Confident30 Ų3041.2 Ų41.214%0.13923%0.233CC..EExtended strand (participates in β ladder)trans-101.4122.7171.4-60.2-106.5000108.4F726 D745 L772 V774F726-H749 HydrophobicContact CE2-CB 3.81Å; F726-H749 AromaticContact CE2-CG 3.74Å; F726-H749 AromaticContact CE2-ND1 3.73Å; F726-H749 HydrophobicContact CZ-CB 4.27Å; D745-H749 PolarHBondContact O-NE2 3.36Å; H749-L772 HydrophobicContact CB-CB 4.41Å; H749-L772 PolarHBondContact N-O 3.29Å; H749-L772 PolarHBondContact O-N 3.47Å; H749-V774 VanDerWaalsContact CD2-CG2 3.49Å; H749-V774 WeakPolarHBondContact CD2-CG2 3.46Å
750R87.3Confident86.1Confident41 Ų4144.6 Ų44.616%0.15524%0.242CC..EExtended strand (participates in β ladder)trans-102101.6176.3174.3-177.2163.9-157.8-7.3108.3G720 L769 F771 T791 T794 L796G720-R750 VanDerWaalsContact CA-O 3.25Å; G720-R750 WeakPolarHBondContact CA-O 3.06Å; R750-L769 HydrophobicContact CG-CD2 4.31Å; R750-F771 HydrophobicContact CB-CD1 3.96Å; R750-F771 HydrophobicContact CB-CE1 3.53Å; R750-F771 HydrophobicContact CB-CZ 4.24Å; R750-F771 HydrophobicContact CG-CD1 4.26Å; R750-F771 HydrophobicContact CG-CE1 3.53Å; R750-F771 HydrophobicContact CG-CZ 3.7Å; R750-T791 PolarHBondContact NH1-O 2.85Å; R750-T794 PolarHBondContact NH1-O 2.9Å; R750-T794 PolarHBondContact NH1-OG1 3.32Å; R750-T794 PolarHBondContact NH2-O 2.86Å; R750-L796 VanDerWaalsContact NH2-CD1 3.32Å
751L89.1Confident85.4Confident0 Ų043.6 Ų43.60%025%0.247CC..EExtended strand (participates in β ladder)trans-84.3138.5172.5-57.8-178.2000109.9I717 N721 F726 I735 L769 V770 L772I717-L751 HydrophobicContact CD1-CD1 4.21Å; I717-L751 HydrophobicContact CG2-CD2 4.37Å; N721-L751 HydrophobicContact CB-CD2 3.93Å; F726-L751 HydrophobicContact CB-CD1 4.11Å; F726-L751 HydrophobicContact CD2-CD1 4.22Å; F726-L751 HydrophobicContact CD2-CD2 4Å; F726-L751 HydrophobicContact CG-CD1 4.18Å; I735-L751 HydrophobicContact CD1-CD1 4.09Å; I735-L751 HydrophobicContact CG2-CD1 4.13Å; L751-L769 WeakPolarHBondContact O-CA 3.37Å; L751-V770 HydrophobicContact CB-CB 4.32Å; L751-V770 PolarHBondContact N-O 3.23Å; L751-V770 PolarHBondContact O-N 3.19Å; L751-L772 HydrophobicContact CD1-CD1 3.76Å; L751-L772 HydrophobicContact CG-CD1 4.49Å
752V89.2Confident85.1Confident9 Ų950.9 Ų50.96%0.05528%0.278CS..EExtended strand (participates in β ladder)trans-103.5115.7166.2-176.90000106.8V718 S719 L769 L796V718-V752 HydrophobicContact CG2-CG1 4.33Å; V718-V752 PolarHBondContact N-O 3Å; S719-V752 PolarHBondContact N-O 2.97Å; S719-V752 PolarHBondContact O-N 3.39Å; V752-L769 HydrophobicContact CG2-CD2 3.88Å; V752-L796 HydrophobicContact CG1-CD2 4.14Å
753V90.8Very high85.1Confident0 Ų051.7 Ų51.70%028%0.282CS..EExtended strand (participates in β ladder)trans-107.1128.8177.2177.30000108.6V700 T716 I717 I728 I735 I755 L767 V768 V770V700-V753 HydrophobicContact CG1-CG1 4.31Å; V700-V753 HydrophobicContact CG2-CG1 4.46Å; V700-V753 HydrophobicContact CG2-CG2 4.36Å; T716-V753 CarbonylContact O-C 3.54Å; T716-V753 VanDerWaalsContact O-CA 3.27Å; T716-V753 WeakPolarHBondContact O-CA 3.07Å; I717-V753 HydrophobicContact CG1-CG2 4.06Å; I728-V753 HydrophobicContact CD1-CG1 3.68Å; I728-V753 HydrophobicContact CD1-CG2 4.11Å; I735-V753 HydrophobicContact CD1-CG2 4.29Å; V753-I755 HydrophobicContact CG1-CG1 4.18Å; V753-L767 WeakPolarHBondContact O-CA 3.3Å; V753-V768 HydrophobicContact CB-CG1 3.81Å; V753-V768 HydrophobicContact CG1-CG1 4.26Å; V753-V768 PolarHBondContact N-O 3.46Å; V753-V768 PolarHBondContact O-N 2.96Å; V753-V770 HydrophobicContact CG2-CG2 4.14Å
754N91.4Very high85.4Confident30 Ų3048.7 Ų48.716%0.1626%0.259CS..EExtended strand (participates in β ladder)trans-99.4134.2168.4-179.149.2000109.7T716 V718 H765 L767T716-N754 PolarHBondContact N-O 2.85Å; T716-N754 PolarHBondContact O-N 2.83Å; T716-N754 PolarHBondContact OG1-O 3.45Å; T716-N754 VanDerWaalsContact OG1-O 3.13Å; V718-N754 HydrophobicContact CG2-CB 3.37Å; N754-H765 WeakPolarHBondContact OD1-CB 3.39Å; N754-H765 PolarHBondContact OD1-CD2 2.81Å; N754-L767 HydrophobicContact CB-CD2 3.79Å
755I93.2Very high85.7Confident0 Ų048.2 Ų48.20%025%0.249CC..EExtended strand (participates in β ladder)trans-121103.6178.7-51170.6000105.3P673 V675 V700 A702 L713 K714 Y715 V753 H765 T766 V768P673-I755 HydrophobicContact CB-CG2 3.97Å; V675-I755 HydrophobicContact CG2-CD1 3.87Å; V700-I755 HydrophobicContact CG1-CD1 3.62Å; V700-I755 HydrophobicContact CG1-CG1 4.31Å; A702-I755 HydrophobicContact CB-CD1 3.9Å; A702-I755 HydrophobicContact CB-CG2 4.03Å; L713-I755 HydrophobicContact CB-CG2 4.32Å; L713-I755 HydrophobicContact CD1-CG2 4.16Å; K714-I755 WeakPolarHBondContact O-CA 3.33Å; Y715-I755 HydrophobicContact CD1-CD1 4.16Å; Y715-I755 HydrophobicContact CD1-CG1 3.79Å; Y715-I755 HydrophobicContact CD1-CG2 4.13Å; Y715-I755 HydrophobicContact CE1-CD1 3.93Å; Y715-I755 HydrophobicContact CE1-CG1 3.99Å; Y715-I755 HydrophobicContact CE1-CG2 3.87Å; V753-I755 HydrophobicContact CG1-CG1 4.18Å; I755-H765 CarbonylContact O-C 3.58Å; I755-H765 WeakPolarHBondContact O-CA 3.36Å; I755-H765 WeakPolarHBondContact O-CB 3.15Å; I755-T766 PolarHBondContact N-O 3.19Å; I755-T766 PolarHBondContact O-N 3.48Å; I755-V768 HydrophobicContact CD1-CG1 4.06Å
756S91.5Very high86Confident19 Ų1949.4 Ų49.413%0.13326%0.257CS..EExtended strand (participates in β ladder)trans-100.2156.3171.874.50000110.1L713 K714 L764L713-S756 CarbonylContact C-O 3.51Å; L713-S756 WeakPolarHBondContact CA-O 3.5Å; K714-S756 PolarHBondContact N-O 3.09Å; K714-S756 PolarHBondContact O-N 3.48Å; K714-S756 VanDerWaalsContact O-N 3.11Å; S756-L764 VanDerWaalsContact CA-O 3.31Å; S756-L764 WeakPolarHBondContact CA-O 3.06Å
757D91.5Very high86.2Confident0 Ų048.8 Ų48.80%025%0.251CS..  trans-69.3-168.2156.560.740.9000111N669 N710 E712 L713 G759 S763 L764N669-D757 PolarHBondContact ND2-OD2 3.13Å; N669-D757 PolarHBondContact OD1-OD2 3.23Å; N710-D757 VanDerWaalsContact O-CB 3.24Å; N710-D757 WeakPolarHBondContact O-CB 3.23Å; E712-D757 CarbonylContact O-C 3.6Å; E712-D757 VanDerWaalsContact O-C 3.26Å; E712-D757 WeakPolarHBondContact O-CA 3.19Å; L713-D757 HydrophobicContact CD2-CB 4.32Å; D757-G759 PolarHBondContact OD1-N 3.11Å; D757-S763 PolarHBondContact O-OG 3.07Å; D757-S763 WeakPolarHBondContact OD1-CA 3.19Å; D757-S763 WeakPolarHBondContact OD1-CB 3.37Å; D757-S763 PolarHBondContact OD1-OG 3.18Å; D757-L764 PolarHBondContact N-O 2.78Å; D757-L764 PolarHBondContact OD1-N 3.21Å; D757-L764 WeakPolarHBondContact OD2-CA 3.41Å; D757-L764 WeakPolarHBondContact OD2-CB 3.08Å; D757-L764 PolarHBondContact OD2-N 2.95Å
758L86.5Confident86.4Confident75 Ų7548 Ų4839%0.39324%0.241SC..  trans-116.725.6166.8-64.1-179.9000112.2M709 E712 K714M709-L758 HydrophobicContact CB-CB 4.42Å; M709-L758 CarbonylContact O-C 3.43Å; M709-L758 WeakPolarHBondContact O-CA 3.26Å; M709-L758 PolarHBondContact O-N 2.81Å; E712-L758 HydrophobicContact CB-CD1 4.1Å; E712-L758 HydrophobicContact CB-CG 4.44Å; E712-L758 HydrophobicContact CG-CD1 3.82Å; E712-L758 WeakPolarHBondContact O-CG 3.2Å; E712-L758 PolarHBondContact O-N 3.38Å; K714-L758 HydrophobicContact CB-CD2 4.13Å; K714-L758 HydrophobicContact CD-CD2 3.95Å
759G81Confident86.4Confident9 Ų946.9 Ų46.99%0.09324%0.236CC..  trans-71.4158.5-168.600000117.3N669 N710 D757 S763N669-G759 WeakPolarHBondContact OD1-CA 3.25Å; N710-G759 WeakPolarHBondContact OD1-CA 3.32Å; D757-G759 PolarHBondContact OD1-N 3.11Å; G759-S763 PolarHBondContact O-N 2.97Å
760Y71.7Confident86.5Confident197 Ų19745.8 Ų45.877%0.77323%0.231SC*.SBendtrans-137.5137.4176.7-164.2-95.5000110.7
761P69.5Low86.6Confident97 Ų9743.9 Ų43.963%0.6322%0.224SC*.SBendcis-85.8-10.215.934.5-37.9000116.2
762K77.3Confident86.6Confident162 Ų16243.9 Ų43.970%0.70422%0.224SC*.  trans-135.8126.7175.3-71-177.8179.1178.30108.7N669N669-K762 PolarHBondContact ND2-O 2.76Å
763S83.7Confident86.6Confident52 Ų5244.4 Ų44.436%0.36423%0.225SC..  trans-74.3130.4167.1173.80000110.3D757 G759D757-S763 PolarHBondContact O-OG 3.07Å; D757-S763 WeakPolarHBondContact OD1-CA 3.19Å; D757-S763 WeakPolarHBondContact OD1-CB 3.37Å; D757-S763 PolarHBondContact OD1-OG 3.18Å; G759-S763 PolarHBondContact O-N 2.97Å
764L88.6Confident86.4Confident53 Ų5344.5 Ų44.528%0.27723%0.225SC..  trans-95155.6173.3-61.5173.1000109.2N671 S756 D757N671-L764 WeakPolarHBondContact O-CD1 3.43Å; S756-L764 VanDerWaalsContact CA-O 3.31Å; S756-L764 WeakPolarHBondContact CA-O 3.06Å; D757-L764 PolarHBondContact N-O 2.78Å; D757-L764 PolarHBondContact OD1-N 3.21Å; D757-L764 WeakPolarHBondContact OD2-CA 3.41Å; D757-L764 WeakPolarHBondContact OD2-CB 3.08Å; D757-L764 PolarHBondContact OD2-N 2.95Å
765H89Confident86.1Confident105 Ų10545 Ų4549%0.48623%0.228SC..EExtended strand (participates in β ladder)trans-156.6152.7-172.869.8-86.2000113.7N754 I755N754-H765 WeakPolarHBondContact OD1-CB 3.39Å; N754-H765 PolarHBondContact OD1-CD2 2.81Å; I755-H765 CarbonylContact O-C 3.58Å; I755-H765 WeakPolarHBondContact O-CA 3.36Å; I755-H765 WeakPolarHBondContact O-CB 3.15Å
766T90.1Very high85.6Confident38 Ų3849 Ų4923%0.23325%0.25CC..EExtended strand (participates in β ladder)trans-129.4141.5179.1-620000111.2P673 V675 I755P673-T766 WeakPolarHBondContact O-CB 3.47Å; P673-T766 PolarHBondContact O-OG1 2.87Å; V675-T766 HydrophobicContact CG2-CG2 3.7Å; I755-T766 PolarHBondContact N-O 3.19Å; I755-T766 PolarHBondContact O-N 3.48Å
767L88.8Confident84.9Confident55 Ų5552.5 Ų52.529%0.28827%0.27SS..EExtended strand (participates in β ladder)trans-104.4131.3-178.2-60170.1000110.9V753 N754 L796 I800V753-L767 WeakPolarHBondContact O-CA 3.3Å; N754-L767 HydrophobicContact CB-CD2 3.79Å; L767-L796 HydrophobicContact CB-CD2 4.2Å; L767-L796 HydrophobicContact CD1-CD2 4.28Å; L767-I800 HydrophobicContact CD1-CD1 3.43Å; L767-I800 VanDerWaalsContact CD1-CD1 3.43Å; L767-I800 HydrophobicContact CD2-CD1 3.78Å; L767-I800 HydrophobicContact CG-CD1 4.25Å
768V89.2Confident83.8Confident3 Ų354.4 Ų54.42%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-125.3145.3174.766.30000111.6V675 P678 N681 V700 V753 I755V675-V768 HydrophobicContact CG1-CB 4.34Å; V675-V768 HydrophobicContact CG1-CG2 4.06Å; V675-V768 HydrophobicContact CG2-CB 4.38Å; P678-V768 HydrophobicContact CG-CG2 3.76Å; N681-V768 WeakPolarHBondContact OD1-CG2 3.4Å; V700-V768 HydrophobicContact CG1-CG1 3.77Å; V753-V768 HydrophobicContact CB-CG1 3.81Å; V753-V768 HydrophobicContact CG1-CG1 4.26Å; V753-V768 PolarHBondContact N-O 3.46Å; V753-V768 PolarHBondContact O-N 2.96Å; I755-V768 HydrophobicContact CD1-CG1 4.06Å
769L88.3Confident82.8Confident10 Ų1054.2 Ų54.25%0.05230%0.303CS..EExtended strand (participates in β ladder)trans-94.9124.9171.3-63.4-175.6000110.3N681 R750 L751 V752 F771 M792 L796N681-L769 HydrophobicContact CB-CB 4.32Å; N681-L769 PolarHBondContact OD1-N 3.46Å; R750-L769 HydrophobicContact CG-CD2 4.31Å; L751-L769 WeakPolarHBondContact O-CA 3.37Å; V752-L769 HydrophobicContact CG2-CD2 3.88Å; L769-F771 HydrophobicContact CB-CD2 4.29Å; L769-F771 HydrophobicContact CB-CE2 3.72Å; L769-F771 HydrophobicContact CB-CZ 4.46Å; L769-F771 HydrophobicContact CD1-CE2 3.94Å; L769-F771 HydrophobicContact CD1-CZ 4.1Å; L769-F771 HydrophobicContact CG-CE2 4.46Å; L769-M792 HydrophobicContact CD1-CE 4.43Å; L769-L796 HydrophobicContact CD1-CD1 4.35Å; L769-L796 HydrophobicContact CD2-CD1 4.25Å; L769-L796 HydrophobicContact CD2-CD2 4.06Å; L769-L796 HydrophobicContact CD2-CG 4.19Å
770V89.3Confident82.6Confident6 Ų658.2 Ų58.24%0.03632%0.322CS..EExtended strand (participates in β ladder)trans-112.7121.3171.2-173.30000109.1P678 A698 V700 I735 L751 V753 L772P678-V770 HydrophobicContact CG-CG2 4.34Å; A698-V770 HydrophobicContact CB-CG1 3.84Å; V700-V770 HydrophobicContact CG2-CG2 3.58Å; I735-V770 HydrophobicContact CD1-CB 4.21Å; I735-V770 HydrophobicContact CD1-CG1 4.03Å; I735-V770 HydrophobicContact CD1-CG2 4.06Å; L751-V770 HydrophobicContact CB-CB 4.32Å; L751-V770 PolarHBondContact N-O 3.23Å; L751-V770 PolarHBondContact O-N 3.19Å; V753-V770 HydrophobicContact CG2-CG2 4.14Å; V770-L772 HydrophobicContact CG1-CD2 4.22Å; V770-L772 HydrophobicContact CG1-CG 4.45Å
771F89.7Confident82.8Confident1 Ų151 Ų510%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-102.1121.5179.6-73.8-82.5000111.2N681 F684 K685 L748 R750 L769 I788 T791 M792N681-F771 WeakPolarHBondContact O-CD2 3.44Å; N681-F771 WeakPolarHBondContact O-CE2 3.1Å; F684-F771 CarbonylContact C-O 3.58Å; F684-F771 WeakPolarHBondContact CA-O 3.48Å; F684-F771 HydrophobicContact CB-CB 3.72Å; F684-F771 WeakPolarHBondContact CB-O 3.49Å; K685-F771 PolarHBondContact N-O 2.68Å; L748-F771 HydrophobicContact CD1-CB 4.13Å; L748-F771 HydrophobicContact CD1-CD1 3.96Å; L748-F771 HydrophobicContact CD2-CD1 3.8Å; L748-F771 HydrophobicContact CD2-CE1 4.08Å; L748-F771 HydrophobicContact CG-CD1 3.97Å; R750-F771 HydrophobicContact CB-CD1 3.96Å; R750-F771 HydrophobicContact CB-CE1 3.53Å; R750-F771 HydrophobicContact CB-CZ 4.24Å; R750-F771 HydrophobicContact CG-CD1 4.26Å; R750-F771 HydrophobicContact CG-CE1 3.53Å; R750-F771 HydrophobicContact CG-CZ 3.7Å; L769-F771 HydrophobicContact CB-CD2 4.29Å; L769-F771 HydrophobicContact CB-CE2 3.72Å; L769-F771 HydrophobicContact CB-CZ 4.46Å; L769-F771 HydrophobicContact CD1-CE2 3.94Å; L769-F771 HydrophobicContact CD1-CZ 4.1Å; L769-F771 HydrophobicContact CG-CE2 4.46Å; F771-I788 HydrophobicContact CB-CD1 4.37Å; F771-I788 HydrophobicContact CB-CG1 4.41Å; F771-I788 HydrophobicContact CD1-CG1 3.9Å; F771-I788 HydrophobicContact CD1-CG2 4.5Å; F771-I788 HydrophobicContact CD2-CG2 4.22Å; F771-I788 HydrophobicContact CE1-CB 4.48Å; F771-I788 HydrophobicContact CE1-CG1 4.25Å; F771-I788 HydrophobicContact CE1-CG2 4.22Å; F771-I788 HydrophobicContact CE2-CG2 3.97Å; F771-I788 HydrophobicContact CG-CD1 4.4Å; F771-I788 HydrophobicContact CG-CG1 4.04Å; F771-I788 HydrophobicContact CG-CG2 4.47Å; F771-I788 HydrophobicContact CZ-CG2 3.94Å; F771-T791 VanDerWaalsContact CE1-OG1 3.3Å; F771-T791 WeakPolarHBondContact CE1-OG1 3.16Å; F771-M792 HydrophobicContact CE2-CE 4.01Å; F771-M792 HydrophobicContact CZ-CE 4.43Å; F771-M792 HydrophobicContact CZ-CG 4.49Å
772L88.1Confident83.3Confident0 Ų049.7 Ų49.70%030%0.296CS..EExtended strand (participates in β ladder)trans-116115.3178-59.3179.5000108.7K685 V687 V697 A698 F726 I735 H749 L751 V770K685-L772 HydrophobicContact CB-CD2 4.03Å; V687-L772 HydrophobicContact CG2-CB 4.24Å; V687-L772 HydrophobicContact CG2-CD2 4.33Å; V697-L772 HydrophobicContact CG2-CD1 3.93Å; V697-L772 HydrophobicContact CG2-CD2 4.4Å; A698-L772 HydrophobicContact CB-CD2 3.8Å; F726-L772 HydrophobicContact CD1-CD1 3.49Å; F726-L772 VanDerWaalsContact CD1-CD1 3.49Å; F726-L772 HydrophobicContact CD2-CD1 4.24Å; F726-L772 HydrophobicContact CE1-CB 4.49Å; F726-L772 HydrophobicContact CE1-CD1 3.41Å; F726-L772 VanDerWaalsContact CE1-CD1 3.41Å; F726-L772 HydrophobicContact CE2-CD1 4.16Å; F726-L772 HydrophobicContact CG-CD1 3.92Å; F726-L772 HydrophobicContact CZ-CB 4.25Å; F726-L772 HydrophobicContact CZ-CD1 3.76Å; I735-L772 HydrophobicContact CG2-CD1 4.38Å; H749-L772 HydrophobicContact CB-CB 4.41Å; H749-L772 PolarHBondContact N-O 3.29Å; H749-L772 PolarHBondContact O-N 3.47Å; L751-L772 HydrophobicContact CD1-CD1 3.76Å; L751-L772 HydrophobicContact CG-CD1 4.49Å; V770-L772 HydrophobicContact CG1-CD2 4.22Å; V770-L772 HydrophobicContact CG1-CG 4.45Å
773Y89Confident83.6Confident21 Ų2147.8 Ų47.88%0.08229%0.285CS..EExtended strand (participates in β ladder)trans-96.8109.4176.3-173.2-110.3000109.5K685 L686 V687 L748 N775 I784K685-Y773 PolarHBondContact O-N 2.63Å; L686-Y773 HydrophobicContact CD1-CD1 3.74Å; L686-Y773 HydrophobicContact CD1-CE1 4.5Å; V687-Y773 PolarHBondContact N-O 2.82Å; L748-Y773 HydrophobicContact CB-CD2 4.23Å; L748-Y773 HydrophobicContact CD1-CD2 4.38Å; Y773-N775 HydrophobicContact CD1-CB 3.91Å; Y773-N775 HydrophobicContact CE1-CB 3.41Å; Y773-N775 VanDerWaalsContact CE1-CB 3.41Å; Y773-N775 PolarHBondContact O-N 3.29Å; Y773-N775 PolarHBondContact OH-ND2 2.98Å; Y773-I784 HydrophobicContact CD1-CD1 3.46Å; Y773-I784 VanDerWaalsContact CD1-CD1 3.46Å; Y773-I784 HydrophobicContact CD1-CG1 4.05Å; Y773-I784 HydrophobicContact CD2-CD1 4.44Å; Y773-I784 HydrophobicContact CD2-CG1 4.18Å; Y773-I784 HydrophobicContact CD2-CG2 4.18Å; Y773-I784 HydrophobicContact CE1-CD1 3.64Å; Y773-I784 HydrophobicContact CE1-CG1 4Å; Y773-I784 HydrophobicContact CE2-CG1 4.16Å; Y773-I784 HydrophobicContact CG-CD1 3.91Å; Y773-I784 HydrophobicContact CG-CG1 4.14Å; Y773-I784 HydrophobicContact CG-CG2 4.15Å
774V86.4Confident83.5Confident1 Ų145.4 Ų45.41%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-86.1101.9-179.21760000109.1V687 F726 P741 D745 V746 G747 H749V687-V774 HydrophobicContact CB-CG2 4.16Å; V687-V774 HydrophobicContact CG1-CG2 4.49Å; V687-V774 CarbonylContact O-C 3.54Å; V687-V774 VanDerWaalsContact O-CA 3.28Å; V687-V774 WeakPolarHBondContact O-CA 3.38Å; F726-V774 HydrophobicContact CZ-CG2 4.18Å; P741-V774 HydrophobicContact CB-CG1 3.73Å; P741-V774 HydrophobicContact CG-CG1 4.35Å; D745-V774 HydrophobicContact CB-CG1 4.41Å; D745-V774 WeakPolarHBondContact O-CB 3.3Å; V746-V774 VanDerWaalsContact CA-O 3.31Å; V746-V774 WeakPolarHBondContact CA-O 3.45Å; G747-V774 PolarHBondContact N-O 2.77Å; G747-V774 VanDerWaalsContact N-O 3.13Å; G747-V774 PolarHBondContact O-N 2.61Å; H749-V774 VanDerWaalsContact CD2-CG2 3.49Å; H749-V774 WeakPolarHBondContact CD2-CG2 3.46Å
775N86.4Confident83.3Confident41 Ų4148.6 Ų48.622%0.21928%0.278CS..SBendtrans-169.6152.3175.8-160.7-17.2000109.6L686 V687 P688 Y773 T777L686-N775 VanDerWaalsContact CD1-O 3.29Å; L686-N775 WeakPolarHBondContact CD1-O 3.47Å; V687-N775 PolarHBondContact O-N 3.28Å; P688-N775 WeakPolarHBondContact CA-O 3.37Å; Y773-N775 HydrophobicContact CD1-CB 3.91Å; Y773-N775 HydrophobicContact CE1-CB 3.41Å; Y773-N775 VanDerWaalsContact CE1-CB 3.41Å; Y773-N775 PolarHBondContact O-N 3.29Å; Y773-N775 PolarHBondContact OH-ND2 2.98Å; N775-T777 VanDerWaalsContact C-N 3.26Å; N775-T777 PolarHBondContact ND2-O 2.71Å; N775-T777 PolarHBondContact O-N 2.78Å
776D81.4Confident83Confident85 Ų8547.4 Ų47.446%0.45528%0.275SS..SBendtrans-70.8-20.7176.2-71-35.2000113.1P688 L689P688-D776 WeakPolarHBondContact CB-OD1 2.99Å; L689-D776 PolarHBondContact N-OD1 2.97Å
777T76.7Confident82.7Confident91 Ų9147.4 Ų47.456%0.55827%0.273SS*.  trans-140.3140.3174.560.50000113N775 G779N775-T777 VanDerWaalsContact C-N 3.26Å; N775-T777 PolarHBondContact ND2-O 2.71Å; N775-T777 PolarHBondContact O-N 2.78Å; T777-G779 PolarHBondContact O-N 2.69Å; T777-G779 VanDerWaalsContact O-N 3.08Å
778A69.3Low82.5Confident40 Ų4044.9 Ų44.933%0.33126%0.26SS..  trans-82.451.8167.300000111.2L686 N780 I784L686-A778 HydrophobicContact CD1-CB 4.19Å; L686-A778 HydrophobicContact CD2-CB 4.27Å; A778-N780 PolarHBondContact O-N 3.06Å; A778-I784 HydrophobicContact CB-CD1 3.88Å
779G66.1Low82Confident72 Ų7252.9 Ų52.974%0.74229%0.29SS*.  trans-59.4-16-166.800000116.3T777T777-G779 PolarHBondContact O-N 2.69Å; T777-G779 VanDerWaalsContact O-N 3.08Å
780N76.7Confident81.6Confident92 Ų9260.8 Ų60.849%0.49232%0.319SS..  trans-147.798.4167.2-174.216.9000110.9A778 S782 Y783 I784A778-N780 PolarHBondContact O-N 3.06Å; N780-S782 VanDerWaalsContact C-N 3.29Å; N780-S782 PolarHBondContact ND2-OG 3.22Å; N780-S782 PolarHBondContact O-N 2.85Å; N780-S782 PolarHBondContact OD1-OG 3.24Å; N780-Y783 WeakPolarHBondContact O-CB 3.46Å; N780-Y783 PolarHBondContact O-N 3.1Å; N780-I784 PolarHBondContact O-N 2.86Å
781A75.1Confident81Confident46 Ų4662.5 Ų62.538%0.3833%0.329SS..Hα-helixtrans-62.2-31.8-176.400000113.5Y783 I784 Y785A781-Y783 VanDerWaalsContact C-N 3.33Å; A781-Y783 PolarHBondContact O-N 2.82Å; A781-I784 PolarHBondContact O-N 3.39Å; A781-I784 VanDerWaalsContact O-N 3.15Å; A781-Y785 HydrophobicContact CB-CE2 4.44Å; A781-Y785 WeakPolarHBondContact O-CD2 3.09Å; A781-Y785 PolarHBondContact O-N 2.97Å
782S80.3Confident80.1Confident69 Ų6965.9 Ų65.948%0.48335%0.346SS..Hα-helixtrans-65.7-35.217861.60000112.5N780 I784 Y785 D786N780-S782 VanDerWaalsContact C-N 3.29Å; N780-S782 PolarHBondContact ND2-OG 3.22Å; N780-S782 PolarHBondContact O-N 2.85Å; N780-S782 PolarHBondContact OD1-OG 3.24Å; S782-I784 VanDerWaalsContact C-N 3.32Å; S782-I784 PolarHBondContact O-N 3.33Å; S782-Y785 PolarHBondContact O-N 2.85Å; S782-D786 WeakPolarHBondContact O-CB 3.18Å; S782-D786 PolarHBondContact O-N 3.08Å
783Y82.9Confident78.9Confident123 Ų12372.7 Ų72.748%0.48238%0.378SS..Hα-helixtrans-63.1-38.6172.4172.9-100.1000111.8N780 A781 D786 L787N780-Y783 WeakPolarHBondContact O-CB 3.46Å; N780-Y783 PolarHBondContact O-N 3.1Å; A781-Y783 VanDerWaalsContact C-N 3.33Å; A781-Y783 PolarHBondContact O-N 2.82Å; Y783-D786 PolarHBondContact O-N 2.9Å; Y783-L787 HydrophobicContact CD1-CD1 4.23Å; Y783-L787 HydrophobicContact CD2-CD1 3.96Å; Y783-L787 HydrophobicContact CE1-CD1 3.82Å; Y783-L787 HydrophobicContact CE1-CD2 4.13Å; Y783-L787 HydrophobicContact CE2-CD1 3.53Å; Y783-L787 HydrophobicContact CG-CD1 4.29Å; Y783-L787 VanDerWaalsContact CZ-CD1 3.45Å; Y783-L787 VanDerWaalsContact O-CD1 3.31Å; Y783-L787 WeakPolarHBondContact O-CD1 3.46Å; Y783-L787 PolarHBondContact O-N 2.8Å
784I82.8Confident77.5Confident1 Ų175.6 Ų75.61%0.00540%0.398CS..Hα-helixtrans-67.2-44.3176.2-54.6170.9000110F684 L748 Y773 A778 N780 A781 S782 D786 L787 I788F684-I784 HydrophobicContact CD1-CG2 3.82Å; F684-I784 HydrophobicContact CD2-CG2 3.96Å; F684-I784 HydrophobicContact CE1-CB 4.14Å; F684-I784 HydrophobicContact CE1-CG2 3.75Å; F684-I784 HydrophobicContact CE2-CD1 3.7Å; F684-I784 HydrophobicContact CE2-CG2 3.91Å; F684-I784 HydrophobicContact CG-CG2 3.94Å; F684-I784 HydrophobicContact CZ-CB 4.07Å; F684-I784 HydrophobicContact CZ-CD1 3.66Å; F684-I784 HydrophobicContact CZ-CG1 4.47Å; F684-I784 HydrophobicContact CZ-CG2 3.81Å; L748-I784 HydrophobicContact CD1-CG2 4.35Å; Y773-I784 HydrophobicContact CD1-CD1 3.46Å; Y773-I784 VanDerWaalsContact CD1-CD1 3.46Å; Y773-I784 HydrophobicContact CD1-CG1 4.05Å; Y773-I784 HydrophobicContact CD2-CD1 4.44Å; Y773-I784 HydrophobicContact CD2-CG1 4.18Å; Y773-I784 HydrophobicContact CD2-CG2 4.18Å; Y773-I784 HydrophobicContact CE1-CD1 3.64Å; Y773-I784 HydrophobicContact CE1-CG1 4Å; Y773-I784 HydrophobicContact CE2-CG1 4.16Å; Y773-I784 HydrophobicContact CG-CD1 3.91Å; Y773-I784 HydrophobicContact CG-CG1 4.14Å; Y773-I784 HydrophobicContact CG-CG2 4.15Å; A778-I784 HydrophobicContact CB-CD1 3.88Å; N780-I784 PolarHBondContact O-N 2.86Å; A781-I784 PolarHBondContact O-N 3.39Å; A781-I784 VanDerWaalsContact O-N 3.15Å; S782-I784 VanDerWaalsContact C-N 3.32Å; S782-I784 PolarHBondContact O-N 3.33Å; I784-D786 VanDerWaalsContact C-N 3.35Å; I784-D786 PolarHBondContact O-N 3.37Å; I784-L787 WeakPolarHBondContact O-CB 3.46Å; I784-L787 PolarHBondContact O-N 3.03Å; I784-I788 HydrophobicContact CG2-CD1 4.14Å; I784-I788 VanDerWaalsContact O-CG1 3.31Å; I784-I788 WeakPolarHBondContact O-CG1 3.24Å; I784-I788 PolarHBondContact O-N 3.31Å
785Y83.7Confident76.1Confident121 Ų12179.5 Ų79.548%0.47542%0.423SS..Hα-helixtrans-64-34.7174.3-73.5-61.5000113.4T682 F684 A781 S782 I788 R789T682-Y785 WeakPolarHBondContact O-CE1 3.15Å; F684-Y785 HydrophobicContact CD1-CE1 4.15Å; F684-Y785 HydrophobicContact CE1-CE1 4.15Å; F684-Y785 HydrophobicContact CE1-CE2 4.13Å; F684-Y785 AromaticContact CE1-CZ 3.88Å; A781-Y785 HydrophobicContact CB-CE2 4.44Å; A781-Y785 WeakPolarHBondContact O-CD2 3.09Å; A781-Y785 PolarHBondContact O-N 2.97Å; S782-Y785 PolarHBondContact O-N 2.85Å; Y785-I788 HydrophobicContact CD1-CD1 4.1Å; Y785-I788 HydrophobicContact CE1-CD1 4.5Å; Y785-I788 PolarHBondContact O-N 2.99Å; Y785-R789 VanDerWaalsContact O-CB 3.3Å; Y785-R789 WeakPolarHBondContact O-CB 3.41Å; Y785-R789 PolarHBondContact O-N 2.86Å
786D83.1Confident74.8Confident80 Ų8079.6 Ų79.643%0.42842%0.424SS..Hα-helixtrans-67.1-37.2172.2-88.9-14.1000112.1S782 Y783 I784 R790S782-D786 WeakPolarHBondContact O-CB 3.18Å; S782-D786 PolarHBondContact O-N 3.08Å; Y783-D786 PolarHBondContact O-N 2.9Å; I784-D786 VanDerWaalsContact C-N 3.35Å; I784-D786 PolarHBondContact O-N 3.37Å; D786-R790 WeakPolarHBondContact O-CB 3.16Å; D786-R790 WeakPolarHBondContact O-CD 3.34Å; D786-R790 WeakPolarHBondContact O-CG 3.49Å; D786-R790 PolarHBondContact O-N 2.89Å
787L83.2Confident73.4Confident37 Ų3782 Ų8219%0.19444%0.436CS..Hα-helixtrans-64.4-47.7170.9-97.867.4000110.8L748 Y783 I784 R789 R790 T791L748-L787 HydrophobicContact CB-CB 4.45Å; L748-L787 HydrophobicContact CB-CD2 4.01Å; L748-L787 HydrophobicContact CD2-CB 3.77Å; Y783-L787 HydrophobicContact CD1-CD1 4.23Å; Y783-L787 HydrophobicContact CD2-CD1 3.96Å; Y783-L787 HydrophobicContact CE1-CD1 3.82Å; Y783-L787 HydrophobicContact CE1-CD2 4.13Å; Y783-L787 HydrophobicContact CE2-CD1 3.53Å; Y783-L787 HydrophobicContact CG-CD1 4.29Å; Y783-L787 VanDerWaalsContact CZ-CD1 3.45Å; Y783-L787 VanDerWaalsContact O-CD1 3.31Å; Y783-L787 WeakPolarHBondContact O-CD1 3.46Å; Y783-L787 PolarHBondContact O-N 2.8Å; I784-L787 WeakPolarHBondContact O-CB 3.46Å; I784-L787 PolarHBondContact O-N 3.03Å; L787-R789 VanDerWaalsContact C-N 3.34Å; L787-R789 PolarHBondContact O-N 2.87Å; L787-R790 PolarHBondContact O-N 3.14Å; L787-T791 WeakPolarHBondContact O-CG2 3.42Å; L787-T791 PolarHBondContact O-N 3.17Å; L787-T791 PolarHBondContact O-OG1 2.78Å
788I83.9Confident72Confident3 Ų388.1 Ų88.12%0.01545%0.449CS..Hα-helixtrans-54.7-51.6176-68.5166.5000109.6F684 L748 F771 I784 Y785 R790 T791 M792F684-I788 HydrophobicContact CB-CD1 3.94Å; F684-I788 HydrophobicContact CD1-CD1 3.67Å; F684-I788 HydrophobicContact CG-CD1 4.13Å; L748-I788 HydrophobicContact CD1-CG1 4.13Å; L748-I788 HydrophobicContact CD2-CB 4.32Å; L748-I788 HydrophobicContact CD2-CG1 3.59Å; F771-I788 HydrophobicContact CB-CD1 4.37Å; F771-I788 HydrophobicContact CB-CG1 4.41Å; F771-I788 HydrophobicContact CD1-CG1 3.9Å; F771-I788 HydrophobicContact CD1-CG2 4.5Å; F771-I788 HydrophobicContact CD2-CG2 4.22Å; F771-I788 HydrophobicContact CE1-CB 4.48Å; F771-I788 HydrophobicContact CE1-CG1 4.25Å; F771-I788 HydrophobicContact CE1-CG2 4.22Å; F771-I788 HydrophobicContact CE2-CG2 3.97Å; F771-I788 HydrophobicContact CG-CD1 4.4Å; F771-I788 HydrophobicContact CG-CG1 4.04Å; F771-I788 HydrophobicContact CG-CG2 4.47Å; F771-I788 HydrophobicContact CZ-CG2 3.94Å; I784-I788 HydrophobicContact CG2-CD1 4.14Å; I784-I788 VanDerWaalsContact O-CG1 3.31Å; I784-I788 WeakPolarHBondContact O-CG1 3.24Å; I784-I788 PolarHBondContact O-N 3.31Å; Y785-I788 HydrophobicContact CD1-CD1 4.1Å; Y785-I788 HydrophobicContact CE1-CD1 4.5Å; Y785-I788 PolarHBondContact O-N 2.99Å; I788-R790 PolarHBondContact O-N 3.11Å; I788-T791 WeakPolarHBondContact CA-OG1 3.07Å; I788-T791 CarbonylContact O-C 3.56Å; I788-T791 WeakPolarHBondContact O-CA 3.4Å; I788-T791 PolarHBondContact O-N 3.05Å; I788-T791 PolarHBondContact O-OG1 3.41Å; I788-M792 HydrophobicContact CG2-CE 3.96Å; I788-M792 HydrophobicContact CG2-CG 4.48Å; I788-M792 HydrophobicContact CG2-SD 4.23Å; I788-M792 WeakPolarHBondContact O-CG 3.31Å; I788-M792 PolarHBondContact O-N 2.9Å
789R80.2Confident70.7Confident171 Ų17190.8 Ų90.865%0.64546%0.458SS*.Hα-helixtrans-57.1-49178.4-174.1176.9-176.8162.45.1112.7Y785 L787 T791 M792 E793Y785-R789 VanDerWaalsContact O-CB 3.3Å; Y785-R789 WeakPolarHBondContact O-CB 3.41Å; Y785-R789 PolarHBondContact O-N 2.86Å; L787-R789 VanDerWaalsContact C-N 3.34Å; L787-R789 PolarHBondContact O-N 2.87Å; R789-T791 VanDerWaalsContact C-N 3.26Å; R789-T791 PolarHBondContact O-N 3.15Å; R789-M792 WeakPolarHBondContact O-CB 3.45Å; R789-M792 PolarHBondContact O-N 2.77Å; R789-E793 PolarHBondContact O-N 2.93Å
790R80.2Confident69.6Low176 Ų17690.3 Ų90.366%0.66444%0.438SS*.Hα-helixtrans-60.9-34.3175.3-71.7167.4-173.5-126.73.6112.5D786 L787 I788D786-R790 WeakPolarHBondContact O-CB 3.16Å; D786-R790 WeakPolarHBondContact O-CD 3.34Å; D786-R790 WeakPolarHBondContact O-CG 3.49Å; D786-R790 PolarHBondContact O-N 2.89Å; L787-R790 PolarHBondContact O-N 3.14Å; I788-R790 PolarHBondContact O-N 3.11Å
791T75.5Confident67.6Low42 Ų4288.8 Ų88.826%0.25844%0.444SS..Hα-helixtrans-80.2-13.1174.7610000114L748 R750 F771 L787 I788 R789 T794L748-T791 HydrophobicContact CD2-CG2 4.48Å; R750-T791 PolarHBondContact NH1-O 2.85Å; F771-T791 VanDerWaalsContact CE1-OG1 3.3Å; F771-T791 WeakPolarHBondContact CE1-OG1 3.16Å; L787-T791 WeakPolarHBondContact O-CG2 3.42Å; L787-T791 PolarHBondContact O-N 3.17Å; L787-T791 PolarHBondContact O-OG1 2.78Å; I788-T791 WeakPolarHBondContact CA-OG1 3.07Å; I788-T791 CarbonylContact O-C 3.56Å; I788-T791 WeakPolarHBondContact O-CA 3.4Å; I788-T791 PolarHBondContact O-N 3.05Å; I788-T791 PolarHBondContact O-OG1 3.41Å; R789-T791 VanDerWaalsContact C-N 3.26Å; R789-T791 PolarHBondContact O-N 3.15Å; T791-T794 PolarHBondContact O-OG1 2.87Å; T791-T794 VanDerWaalsContact O-OG1 3.11Å
792M70.5Confident65.5Low71 Ų7191.6 Ų91.635%0.3545%0.452SS..Hα-helixtrans-80.6-21.8171.2-75.2-178.4163.100112.7N681 T682 L769 F771 I788 R789 T794N681-M792 HydrophobicContact CB-CE 4.19Å; N681-M792 WeakPolarHBondContact O-CE 3.42Å; T682-M792 HydrophobicContact CG2-CE 3.68Å; T682-M792 HydrophobicContact CG2-SD 4.12Å; L769-M792 HydrophobicContact CD1-CE 4.43Å; F771-M792 HydrophobicContact CE2-CE 4.01Å; F771-M792 HydrophobicContact CZ-CE 4.43Å; F771-M792 HydrophobicContact CZ-CG 4.49Å; I788-M792 HydrophobicContact CG2-CE 3.96Å; I788-M792 HydrophobicContact CG2-CG 4.48Å; I788-M792 HydrophobicContact CG2-SD 4.23Å; I788-M792 WeakPolarHBondContact O-CG 3.31Å; I788-M792 PolarHBondContact O-N 2.9Å; R789-M792 WeakPolarHBondContact O-CB 3.45Å; R789-M792 PolarHBondContact O-N 2.77Å; M792-T794 PolarHBondContact O-N 2.89Å
793E62.6Low63.1Low144 Ų14493.6 Ų93.667%0.67347%0.466SS*.SBendtrans-68.3-9.2174.6-67.2172.2-177.300112.9R789R789-E793 PolarHBondContact O-N 2.93Å
794T60.7Low60.7Low82 Ų8289.7 Ų89.750%0.50346%0.457SS..SBendtrans-97.2112.2168.958.10000111.4R750 T791 M792R750-T794 PolarHBondContact NH1-O 2.9Å; R750-T794 PolarHBondContact NH1-OG1 3.32Å; R750-T794 PolarHBondContact NH2-O 2.86Å; T791-T794 PolarHBondContact O-OG1 2.87Å; T791-T794 VanDerWaalsContact O-OG1 3.11Å; M792-T794 PolarHBondContact O-N 2.89Å
795P56Low58.2Low83 Ų8395.7 Ų95.754%0.53949%0.485SS..  trans-62.1147.3-175.625.5-34.6000111.9D797P795-D797 PolarHBondContact O-N 2.88Å
796L59.2Low55.8Low43 Ų4395.6 Ų95.623%0.22550%0.499CS..G310 helixtrans-61.3-34179.4-80.477.2000111.6R750 V752 L767 L769 R798 N799 I800R750-L796 VanDerWaalsContact NH2-CD1 3.32Å; V752-L796 HydrophobicContact CG1-CD2 4.14Å; L767-L796 HydrophobicContact CB-CD2 4.2Å; L767-L796 HydrophobicContact CD1-CD2 4.28Å; L769-L796 HydrophobicContact CD1-CD1 4.35Å; L769-L796 HydrophobicContact CD2-CD1 4.25Å; L769-L796 HydrophobicContact CD2-CD2 4.06Å; L769-L796 HydrophobicContact CD2-CG 4.19Å; L796-R798 PolarHBondContact O-N 2.66Å; L796-N799 PolarHBondContact O-N 2.74Å; L796-I800 PolarHBondContact O-N 3.44Å
797D53.3Low53.3Low134 Ų134100 Ų10072%0.71751%0.511SS*.G310 helixtrans-64.4-2.4-166.8-33.2-30000115.2P795P795-D797 PolarHBondContact O-N 2.88Å
798R46.7Very low51.2Low220 Ų220101.6 Ų101.683%0.8352%0.518SS*.G310 helixtrans-101.7-12.7171.1-85.4-170.5169.8-171.9-2.5114.9L796L796-R798 PolarHBondContact O-N 2.66Å
799N42.4Very low49.4Very low96 Ų96107.9 Ų107.951%0.51355%0.551SS.*THydrogen-bonded Turntrans-113.9-10.1-179.7-95.345000113.8S719 L796 G801S719-N799 PolarHBondContact OG-ND2 2.9Å; L796-N799 PolarHBondContact O-N 2.74Å; N799-G801 PolarHBondContact O-N 2.68Å; N799-G801 VanDerWaalsContact O-N 3.08Å
800I42.3Very low47.9Very low63 Ų63106.9 Ų106.932%0.32355%0.554SS.*SBendtrans-75.674.9140.2-57.2179.7000105.7V718 L767 L796 D802V718-I800 HydrophobicContact CG1-CG1 4.45Å; L767-I800 HydrophobicContact CD1-CD1 3.43Å; L767-I800 VanDerWaalsContact CD1-CD1 3.43Å; L767-I800 HydrophobicContact CD2-CD1 3.78Å; L767-I800 HydrophobicContact CG-CD1 4.25Å; L796-I800 PolarHBondContact O-N 3.44Å; I800-D802 VanDerWaalsContact C-N 3.3Å; I800-D802 PolarHBondContact O-N 2.87Å
801G34.4Very low46.7Very low60 Ų60101.4 Ų101.462%0.61954%0.538SS*.  trans-65.699.6166.700000106.2N799 S803N799-G801 PolarHBondContact O-N 2.68Å; N799-G801 VanDerWaalsContact O-N 3.08Å; G801-S803 PolarHBondContact O-N 3.13Å
802D30.9Very low46Very low104 Ų104105.5 Ų105.556%0.55655%0.55SS*.  trans-35.5108.9-167.4-176.64.8000112.2I800 S804I800-D802 VanDerWaalsContact C-N 3.3Å; I800-D802 PolarHBondContact O-N 2.87Å; D802-S804 VanDerWaalsContact CG-CB 3.41Å; D802-S804 CarbonylContact O-C 3.58Å; D802-S804 WeakPolarHBondContact O-CA 3.41Å; D802-S804 PolarHBondContact O-N 2.89Å; D802-S804 VanDerWaalsContact O-O 3.05Å; D802-S804 PolarHBondContact O-OG 3.37Å; D802-S804 WeakPolarHBondContact OD1-CB 2.99Å; D802-S804 PolarHBondContact OD1-N 2.04Å; D802-S804 PolarHBondContact OD1-OG 3.05Å; D802-S804 WeakPolarHBondContact OD2-CB 3.31Å; D802-S804 PolarHBondContact OD2-OG 2.81Å
803S31.6Very low45.9Very low111 Ų111106.5 Ų106.578%0.77656%0.556SS**  trans-76.825.4175.366.50000112.6G801 Q805G801-S803 PolarHBondContact O-N 3.13Å; S803-Q805 PolarHBondContact O-N 2.95Å
804S31.6Very low45.9Very low42 Ų42103.1 Ų103.129%0.29455%0.545SS..SBend-35.894.3123.675.60000111D802 Y807D802-S804 VanDerWaalsContact CG-CB 3.41Å; D802-S804 CarbonylContact O-C 3.58Å; D802-S804 WeakPolarHBondContact O-CA 3.41Å; D802-S804 PolarHBondContact O-N 2.89Å; D802-S804 VanDerWaalsContact O-O 3.05Å; D802-S804 PolarHBondContact O-OG 3.37Å; D802-S804 WeakPolarHBondContact OD1-CB 2.99Å; D802-S804 PolarHBondContact OD1-N 2.04Å; D802-S804 PolarHBondContact OD1-OG 3.05Å; D802-S804 WeakPolarHBondContact OD2-CB 3.31Å; D802-S804 PolarHBondContact OD2-OG 2.81Å; S804-Y807 VanDerWaalsContact CB-CD2 3.46Å; S804-Y807 VanDerWaalsContact CB-CE2 3.41Å; S804-Y807 WeakPolarHBondContact OG-CD2 3.31Å
805Q31.2Very low46.2Very low126 Ų126102.3 Ų102.359%0.58954%0.537SS*.  trans-36.2135.3159.8-55.4165.91.300109S803 Y807S803-Q805 PolarHBondContact O-N 2.95Å; Q805-Y807 WeakPolarHBondContact O-CA 3.39Å; Q805-Y807 PolarHBondContact O-N 3.49Å
806P31.7Very low47.1Very low119 Ų119101.5 Ų101.577%0.77353%0.527SS*.G310 helixtrans-42.9108.4-163.516.1-32.3000112Q808 N809P806-Q808 PolarHBondContact O-N 2.87Å; P806-N809 PolarHBondContact O-N 2.96Å
807Y30.8Very low48Very low174 Ų174104 Ų10468%0.68254%0.54SS*.G310 helixtrans-46.8102-141.8-137.1-84.7000112.8S804 Q805S804-Y807 VanDerWaalsContact CB-CD2 3.46Å; S804-Y807 VanDerWaalsContact CB-CE2 3.41Å; S804-Y807 WeakPolarHBondContact OG-CD2 3.31Å; Q805-Y807 WeakPolarHBondContact O-CA 3.39Å; Q805-Y807 PolarHBondContact O-N 3.49Å
808Q40.4Very low49Very low70 Ų70100.7 Ų100.733%0.32753%0.531SS..G310 helixtrans5073.9174.6-45-158.6-55.600113.6P806 D811 Y812 I815P806-Q808 PolarHBondContact O-N 2.87Å; Q808-D811 HydrophobicContact CB-CB 4.07Å; Q808-D811 HydrophobicContact CG-CB 3.91Å; Q808-D811 PolarHBondContact NE2-OD2 2.76Å; Q808-Y812 WeakPolarHBondContact O-CB 3.42Å; Q808-I815 VanDerWaalsContact NE2-CD1 3.32Å
809N46.6Very low50.7Low134 Ų13494.9 Ų94.972%0.71752%0.515SS*.SBendtrans-115.8-43.1151.7-124.5-6.8000111.2P806 L813P806-N809 PolarHBondContact O-N 2.96Å; N809-L813 WeakPolarHBondContact O-CB 3.36Å; N809-L813 PolarHBondContact O-N 2.55Å
810E48.6Very low52.6Low150 Ų15094.8 Ų94.870%0.70151%0.513SS*.Hα-helixtrans-69.8-41.8159.8-76.1-113124.100110.3L813 T814E810-L813 CarbonylContact O-C 3.54Å; E810-L813 VanDerWaalsContact O-CA 3.31Å; E810-L813 WeakPolarHBondContact O-CA 3.43Å; E810-L813 VanDerWaalsContact O-CB 3.3Å; E810-L813 WeakPolarHBondContact O-CB 3.38Å; E810-L813 PolarHBondContact O-N 2.98Å; E810-T814 PolarHBondContact O-N 3.23Å
811D54Low54.5Low62 Ų6294.1 Ų94.133%0.33252%0.517SS..Hα-helixtrans-78-23.2-180-153.346.4000112.8Q808 L813 T814 I815Q808-D811 HydrophobicContact CB-CB 4.07Å; Q808-D811 HydrophobicContact CG-CB 3.91Å; Q808-D811 PolarHBondContact NE2-OD2 2.76Å; D811-L813 VanDerWaalsContact C-N 3.32Å; D811-T814 VanDerWaalsContact CA-OG1 3.3Å; D811-T814 WeakPolarHBondContact CA-OG1 3.04Å; D811-T814 PolarHBondContact O-OG1 2.98Å; D811-T814 PolarHBondContact OD1-OG1 2.79Å; D811-I815 VanDerWaalsContact O-CB 3.22Å; D811-I815 WeakPolarHBondContact O-CB 3.5Å; D811-I815 WeakPolarHBondContact O-CG1 3.11Å; D811-I815 PolarHBondContact O-N 3.4Å
812Y60.8Low56.8Low128 Ų12892.9 Ų92.950%0.50250%0.504SS..Hα-helixtrans-79.3-18.9164-163.1-94000110.8Q808 M816Q808-Y812 WeakPolarHBondContact O-CB 3.42Å; Y812-M816 HydrophobicContact CD1-CG 3.48Å; Y812-M816 VanDerWaalsContact CD1-CG 3.48Å; Y812-M816 HydrophobicContact CE1-CG 3.39Å; Y812-M816 HydrophobicContact CE1-SD 3.9Å; Y812-M816 HydrophobicContact CG-CG 4.26Å; Y812-M816 WeakPolarHBondContact O-CA 2.9Å; Y812-M816 WeakPolarHBondContact O-CB 3.46Å; Y812-M816 WeakPolarHBondContact O-CG 3.18Å; Y812-M816 PolarHBondContact O-N 3.35Å
813L68Low59.5Low92 Ų9289.9 Ų89.948%0.48249%0.494SS..Hα-helixtrans-78.9-33.8167.6-175.968.1000111.5N809 E810 D811 I817N809-L813 WeakPolarHBondContact O-CB 3.36Å; N809-L813 PolarHBondContact O-N 2.55Å; E810-L813 CarbonylContact O-C 3.54Å; E810-L813 VanDerWaalsContact O-CA 3.31Å; E810-L813 WeakPolarHBondContact O-CA 3.43Å; E810-L813 VanDerWaalsContact O-CB 3.3Å; E810-L813 WeakPolarHBondContact O-CB 3.38Å; E810-L813 PolarHBondContact O-N 2.98Å; D811-L813 VanDerWaalsContact C-N 3.32Å; L813-I817 HydrophobicContact CD1-CD1 4.09Å; L813-I817 HydrophobicContact CD1-CG1 4.29Å; L813-I817 HydrophobicContact CD2-CD1 4.5Å; L813-I817 HydrophobicContact CG-CD1 3.84Å; L813-I817 HydrophobicContact CG-CG1 4.4Å; L813-I817 WeakPolarHBondContact O-CA 3.46Å; L813-I817 WeakPolarHBondContact O-CB 3.27Å; L813-I817 WeakPolarHBondContact O-CD1 3.21Å; L813-I817 WeakPolarHBondContact O-CG1 3.39Å; L813-I817 PolarHBondContact O-N 3.26Å
814T62Low62.1Low73 Ų7389.6 Ų89.645%0.44848%0.482SS..Hα-helixtrans-74.3-39.9171.859.80000110.9E810 D811 I817 A818E810-T814 PolarHBondContact O-N 3.23Å; D811-T814 VanDerWaalsContact CA-OG1 3.3Å; D811-T814 WeakPolarHBondContact CA-OG1 3.04Å; D811-T814 PolarHBondContact O-OG1 2.98Å; D811-T814 PolarHBondContact OD1-OG1 2.79Å; T814-I817 CarbonylContact O-C 3.52Å; T814-I817 PolarHBondContact O-N 2.96Å; T814-A818 WeakPolarHBondContact O-CB 3.37Å; T814-A818 PolarHBondContact O-N 3.41Å
815I68.7Low64.7Low64 Ų6492 Ų9233%0.32850%0.495SS..Hα-helixtrans-68.3-40.9171.5-68.9168.7000110.5Q808 D811 A818 I819Q808-I815 VanDerWaalsContact NE2-CD1 3.32Å; D811-I815 VanDerWaalsContact O-CB 3.22Å; D811-I815 WeakPolarHBondContact O-CB 3.5Å; D811-I815 WeakPolarHBondContact O-CG1 3.11Å; D811-I815 PolarHBondContact O-N 3.4Å; I815-A818 CarbonylContact O-C 3.58Å; I815-A818 PolarHBondContact O-N 3.26Å; I815-I819 HydrophobicContact CG2-CD1 3.64Å; I815-I819 HydrophobicContact CG2-CG1 4.25Å; I815-I819 VanDerWaalsContact O-CB 3.27Å; I815-I819 WeakPolarHBondContact O-CB 3.41Å; I815-I819 VanDerWaalsContact O-CG1 3.23Å; I815-I819 WeakPolarHBondContact O-CG1 3.2Å; I815-I819 PolarHBondContact O-N 3.16Å
816M74.8Confident67.2Low66 Ų6690 Ų9033%0.32549%0.491SS..Hα-helixtrans-70-30171.2-73.9-78.1-78.500112.1Y812 I820Y812-M816 HydrophobicContact CD1-CG 3.48Å; Y812-M816 VanDerWaalsContact CD1-CG 3.48Å; Y812-M816 HydrophobicContact CE1-CG 3.39Å; Y812-M816 HydrophobicContact CE1-SD 3.9Å; Y812-M816 HydrophobicContact CG-CG 4.26Å; Y812-M816 WeakPolarHBondContact O-CA 2.9Å; Y812-M816 WeakPolarHBondContact O-CB 3.46Å; Y812-M816 WeakPolarHBondContact O-CG 3.18Å; Y812-M816 PolarHBondContact O-N 3.35Å; M816-I820 HydrophobicContact CB-CD1 4.35Å; M816-I820 HydrophobicContact CE-CD1 4.31Å; M816-I820 WeakPolarHBondContact O-CA 3.26Å; M816-I820 WeakPolarHBondContact O-CB 3.43Å; M816-I820 WeakPolarHBondContact O-CD1 3.47Å; M816-I820 WeakPolarHBondContact O-CG1 3.48Å; M816-I820 PolarHBondContact O-N 3.11Å
817I77.2Confident69.9Low97 Ų9788.6 Ų88.650%0.49748%0.476SS..Hα-helixtrans-72.8-30.5171-76.1167.6000110.2L813 T814 A821L813-I817 HydrophobicContact CD1-CD1 4.09Å; L813-I817 HydrophobicContact CD1-CG1 4.29Å; L813-I817 HydrophobicContact CD2-CD1 4.5Å; L813-I817 HydrophobicContact CG-CD1 3.84Å; L813-I817 HydrophobicContact CG-CG1 4.4Å; L813-I817 WeakPolarHBondContact O-CA 3.46Å; L813-I817 WeakPolarHBondContact O-CB 3.27Å; L813-I817 WeakPolarHBondContact O-CD1 3.21Å; L813-I817 WeakPolarHBondContact O-CG1 3.39Å; L813-I817 PolarHBondContact O-N 3.26Å; T814-I817 CarbonylContact O-C 3.52Å; T814-I817 PolarHBondContact O-N 2.96Å; I817-A821 WeakPolarHBondContact O-CA 3.26Å; I817-A821 WeakPolarHBondContact O-CB 3.26Å; I817-A821 PolarHBondContact O-N 2.81Å
818A75.3Confident72.5Confident64 Ų6484 Ų8453%0.52947%0.466SS..Hα-helixtrans-79.3-31.1174.700000112.3T814 I815 G822T814-A818 WeakPolarHBondContact O-CB 3.37Å; T814-A818 PolarHBondContact O-N 3.41Å; I815-A818 CarbonylContact O-C 3.58Å; I815-A818 PolarHBondContact O-N 3.26Å; A818-G822 WeakPolarHBondContact O-CA 3.06Å; A818-G822 PolarHBondContact O-N 2.68Å
819I80.5Confident74.5Confident98 Ų9884.6 Ų84.650%0.50347%0.474SS..Hα-helixtrans-78.5-38171.7-69.9172.1000110.2I815 A823I815-I819 HydrophobicContact CG2-CD1 3.64Å; I815-I819 HydrophobicContact CG2-CG1 4.25Å; I815-I819 VanDerWaalsContact O-CB 3.27Å; I815-I819 WeakPolarHBondContact O-CB 3.41Å; I815-I819 VanDerWaalsContact O-CG1 3.23Å; I815-I819 WeakPolarHBondContact O-CG1 3.2Å; I815-I819 PolarHBondContact O-N 3.16Å; I819-A823 WeakPolarHBondContact O-CA 3.43Å; I819-A823 WeakPolarHBondContact O-CB 3.24Å; I819-A823 PolarHBondContact O-N 3.06Å
820I84Confident76.2Confident93 Ų9382.8 Ų82.848%0.47746%0.464SS..Hα-helixtrans-74.2-41173.8-68.4164.4000110M816 M824M816-I820 HydrophobicContact CB-CD1 4.35Å; M816-I820 HydrophobicContact CE-CD1 4.31Å; M816-I820 WeakPolarHBondContact O-CA 3.26Å; M816-I820 WeakPolarHBondContact O-CB 3.43Å; M816-I820 WeakPolarHBondContact O-CD1 3.47Å; M816-I820 WeakPolarHBondContact O-CG1 3.48Å; M816-I820 PolarHBondContact O-N 3.11Å; I820-M824 HydrophobicContact CG2-CG 4.08Å; I820-M824 WeakPolarHBondContact O-CA 3.5Å; I820-M824 WeakPolarHBondContact O-CB 3.48Å; I820-M824 WeakPolarHBondContact O-CG 3.26Å; I820-M824 PolarHBondContact O-N 3.28Å
821A82.4Confident78Confident49 Ų4981.7 Ų81.741%0.40546%0.457SS..Hα-helixtrans-72.5-37.5174.100000111.3I817 M824 V825I817-A821 WeakPolarHBondContact O-CA 3.26Å; I817-A821 WeakPolarHBondContact O-CB 3.26Å; I817-A821 PolarHBondContact O-N 2.81Å; A821-M824 CarbonylContact O-C 3.52Å; A821-M824 PolarHBondContact O-N 2.84Å; A821-V825 VanDerWaalsContact O-CB 3.25Å; A821-V825 WeakPolarHBondContact O-CB 3.26Å; A821-V825 WeakPolarHBondContact O-CG2 3.36Å; A821-V825 PolarHBondContact O-N 2.79Å
822G82.2Confident79.2Confident34 Ų3482.3 Ų82.335%0.35146%0.463SS..Hα-helixtrans-65.2-47.4172.700000111.7A818 M824 V825 V826A818-G822 WeakPolarHBondContact O-CA 3.06Å; A818-G822 PolarHBondContact O-N 2.68Å; G822-M824 VanDerWaalsContact C-N 3.35Å; G822-V825 PolarHBondContact O-N 3.08Å; G822-V826 WeakPolarHBondContact O-CB 3.33Å; G822-V826 VanDerWaalsContact O-CG2 3.31Å; G822-V826 WeakPolarHBondContact O-CG2 3.47Å; G822-V826 PolarHBondContact O-N 2.96Å
823A86.8Confident79.9Confident42 Ų4279.3 Ų79.335%0.34746%0.458SS..Hα-helixtrans-68.9-29.6172.600000112.3I819 I827I819-A823 WeakPolarHBondContact O-CA 3.43Å; I819-A823 WeakPolarHBondContact O-CB 3.24Å; I819-A823 PolarHBondContact O-N 3.06Å; A823-I827 WeakPolarHBondContact O-CA 2.97Å; A823-I827 WeakPolarHBondContact O-CB 3.25Å; A823-I827 WeakPolarHBondContact O-CD1 3.45Å; A823-I827 WeakPolarHBondContact O-CG1 3.24Å; A823-I827 PolarHBondContact O-N 2.82Å
824M85.7Confident80.4Confident104 Ų10478.2 Ų78.251%0.51246%0.455SS..Hα-helixtrans-77.2-28.7172.5-77.1-76.2-75.700111.7I820 A821 G822 V828I820-M824 HydrophobicContact CG2-CG 4.08Å; I820-M824 WeakPolarHBondContact O-CA 3.5Å; I820-M824 WeakPolarHBondContact O-CB 3.48Å; I820-M824 WeakPolarHBondContact O-CG 3.26Å; I820-M824 PolarHBondContact O-N 3.28Å; A821-M824 CarbonylContact O-C 3.52Å; A821-M824 PolarHBondContact O-N 2.84Å; G822-M824 VanDerWaalsContact C-N 3.35Å; M824-V828 WeakPolarHBondContact O-CA 3.49Å; M824-V828 WeakPolarHBondContact O-CB 3.41Å; M824-V828 WeakPolarHBondContact O-CG2 3.23Å; M824-V828 PolarHBondContact O-N 2.61Å
825V86.4Confident81Confident94 Ų9478.2 Ų78.257%0.5745%0.451SS*.Hα-helixtrans-72.5-41.6169.3164.30000109.3A821 G822 V828 V829A821-V825 VanDerWaalsContact O-CB 3.25Å; A821-V825 WeakPolarHBondContact O-CB 3.26Å; A821-V825 WeakPolarHBondContact O-CG2 3.36Å; A821-V825 PolarHBondContact O-N 2.79Å; G822-V825 PolarHBondContact O-N 3.08Å; V825-V828 CarbonylContact O-C 3.26Å; V825-V828 PolarHBondContact O-N 3.17Å; V825-V829 HydrophobicContact CG1-CG2 4.47Å; V825-V829 VanDerWaalsContact O-CB 3.24Å; V825-V829 WeakPolarHBondContact O-CB 3.35Å; V825-V829 WeakPolarHBondContact O-CG2 3.41Å; V825-V829 PolarHBondContact O-N 2.64Å
826V84.5Confident81Confident83 Ų8378.7 Ų78.750%0.50346%0.457SS..Hα-helixtrans-68-40.2173.5169.70000111.2G822 V829 I830G822-V826 WeakPolarHBondContact O-CB 3.33Å; G822-V826 VanDerWaalsContact O-CG2 3.31Å; G822-V826 WeakPolarHBondContact O-CG2 3.47Å; G822-V826 PolarHBondContact O-N 2.96Å; V826-V829 CarbonylContact O-C 3.59Å; V826-V829 PolarHBondContact O-N 3.16Å; V826-I830 HydrophobicContact CG1-CD1 3.77Å; V826-I830 HydrophobicContact CG1-CG1 4.44Å; V826-I830 VanDerWaalsContact O-CB 3.3Å; V826-I830 WeakPolarHBondContact O-CB 3.4Å; V826-I830 WeakPolarHBondContact O-CG1 3.35Å; V826-I830 PolarHBondContact O-N 3.27Å
827I87.6Confident80.4Confident90 Ų9084.9 Ų84.946%0.46248%0.477SS..Hα-helixtrans-69.7-38.2174-73.4163.6000110.1A823 I830 F831A823-I827 WeakPolarHBondContact O-CA 2.97Å; A823-I827 WeakPolarHBondContact O-CB 3.25Å; A823-I827 WeakPolarHBondContact O-CD1 3.45Å; A823-I827 WeakPolarHBondContact O-CG1 3.24Å; A823-I827 PolarHBondContact O-N 2.82Å; I827-I830 CarbonylContact O-C 3.44Å; I827-I830 PolarHBondContact O-N 2.84Å; I827-F831 WeakPolarHBondContact O-CA 3.39Å; I827-F831 WeakPolarHBondContact O-CB 3.44Å; I827-F831 PolarHBondContact O-N 2.94Å
828V85Confident79.6Confident77 Ų7783.6 Ų83.647%0.46748%0.476SS..Hα-helixtrans-70.5-34.1173.2166.40000110.5M824 V825 F831 V832M824-V828 WeakPolarHBondContact O-CA 3.49Å; M824-V828 WeakPolarHBondContact O-CB 3.41Å; M824-V828 WeakPolarHBondContact O-CG2 3.23Å; M824-V828 PolarHBondContact O-N 2.61Å; V825-V828 CarbonylContact O-C 3.26Å; V825-V828 PolarHBondContact O-N 3.17Å; V828-F831 PolarHBondContact O-N 2.9Å; V828-V832 HydrophobicContact CG1-CG2 3.94Å; V828-V832 WeakPolarHBondContact O-CA 3.4Å; V828-V832 WeakPolarHBondContact O-CB 3.39Å; V828-V832 WeakPolarHBondContact O-CG2 3.48Å; V828-V832 PolarHBondContact O-N 2.87Å
829V83.5Confident78.9Confident83 Ų8388.7 Ų88.750%0.50348%0.481SS..Hα-helixtrans-70.7-36.9172.1166.50000110.7V825 V826 T833V825-V829 HydrophobicContact CG1-CG2 4.47Å; V825-V829 VanDerWaalsContact O-CB 3.24Å; V825-V829 WeakPolarHBondContact O-CB 3.35Å; V825-V829 WeakPolarHBondContact O-CG2 3.41Å; V825-V829 PolarHBondContact O-N 2.64Å; V826-V829 CarbonylContact O-C 3.59Å; V826-V829 PolarHBondContact O-N 3.16Å; V829-T833 HydrophobicContact CG1-CG2 4.41Å; V829-T833 VanDerWaalsContact O-CB 3.24Å; V829-T833 WeakPolarHBondContact O-CB 3.48Å; V829-T833 WeakPolarHBondContact O-CG2 3.33Å; V829-T833 PolarHBondContact O-N 2.9Å; V829-T833 PolarHBondContact O-OG1 2.95Å
830I82.9Confident77.6Confident96 Ų9689.6 Ų89.649%0.49248%0.483SS..Hα-helixtrans-68.7-42171.7-72.1166.3000110.2V826 I827 T833 V834V826-I830 HydrophobicContact CG1-CD1 3.77Å; V826-I830 HydrophobicContact CG1-CG1 4.44Å; V826-I830 VanDerWaalsContact O-CB 3.3Å; V826-I830 WeakPolarHBondContact O-CB 3.4Å; V826-I830 WeakPolarHBondContact O-CG1 3.35Å; V826-I830 PolarHBondContact O-N 3.27Å; I827-I830 CarbonylContact O-C 3.44Å; I827-I830 PolarHBondContact O-N 2.84Å; I830-T833 WeakPolarHBondContact CA-OG1 3.24Å; I830-T833 PolarHBondContact O-N 2.9Å; I830-T833 PolarHBondContact O-OG1 2.96Å; I830-V834 HydrophobicContact CG2-CG2 4.3Å; I830-V834 WeakPolarHBondContact O-CA 3.46Å; I830-V834 WeakPolarHBondContact O-CB 3.28Å; I830-V834 WeakPolarHBondContact O-CG2 3.2Å; I830-V834 PolarHBondContact O-N 2.9Å
831F85Confident76Confident127 Ų12787.5 Ų87.556%0.55748%0.48SS*.Hα-helixtrans-77.8-27-178.8-152.4-90.7000111.5I827 V828 L835I827-F831 WeakPolarHBondContact O-CA 3.39Å; I827-F831 WeakPolarHBondContact O-CB 3.44Å; I827-F831 PolarHBondContact O-N 2.94Å; V828-F831 PolarHBondContact O-N 2.9Å; F831-L835 HydrophobicContact CD1-CD1 3.62Å; F831-L835 HydrophobicContact CD1-CG 3.85Å; F831-L835 HydrophobicContact CE1-CD1 3.74Å; F831-L835 HydrophobicContact CE1-CD2 4.39Å; F831-L835 HydrophobicContact CE1-CG 3.94Å; F831-L835 WeakPolarHBondContact O-CA 3.5Å; F831-L835 WeakPolarHBondContact O-CB 3.32Å; F831-L835 WeakPolarHBondContact O-CG 3.33Å; F831-L835 PolarHBondContact O-N 3.5Å
832V79.5Confident74.7Confident75 Ų7588.3 Ų88.346%0.45548%0.482SS..Hα-helixtrans-78.3-39.4168.8169.20000110.2V828 L835 V836V828-V832 HydrophobicContact CG1-CG2 3.94Å; V828-V832 WeakPolarHBondContact O-CA 3.4Å; V828-V832 WeakPolarHBondContact O-CB 3.39Å; V828-V832 WeakPolarHBondContact O-CG2 3.48Å; V828-V832 PolarHBondContact O-N 2.87Å; V832-L835 CarbonylContact O-C 3.51Å; V832-L835 PolarHBondContact O-N 2.8Å; V832-V836 HydrophobicContact CG1-CG2 4.13Å; V832-V836 WeakPolarHBondContact O-CA 3.39Å; V832-V836 WeakPolarHBondContact O-CB 3.29Å; V832-V836 WeakPolarHBondContact O-CG2 3.36Å; V832-V836 PolarHBondContact O-N 2.9Å
833T75.9Confident73Confident65 Ų6596 Ų9640%0.39950%0.501SS..Hα-helixtrans-73.3-28.1173.555.70000112.4V829 I830 R837V829-T833 HydrophobicContact CG1-CG2 4.41Å; V829-T833 VanDerWaalsContact O-CB 3.24Å; V829-T833 WeakPolarHBondContact O-CB 3.48Å; V829-T833 WeakPolarHBondContact O-CG2 3.33Å; V829-T833 PolarHBondContact O-N 2.9Å; V829-T833 PolarHBondContact O-OG1 2.95Å; I830-T833 WeakPolarHBondContact CA-OG1 3.24Å; I830-T833 PolarHBondContact O-N 2.9Å; I830-T833 PolarHBondContact O-OG1 2.96Å; T833-R837 WeakPolarHBondContact O-CB 3.17Å; T833-R837 VanDerWaalsContact O-CG 3.27Å; T833-R837 WeakPolarHBondContact O-CG 3.36Å; T833-R837 PolarHBondContact O-N 2.97Å
834V79.1Confident71.1Confident69 Ų69100.2 Ų100.242%0.41851%0.512SS..Hα-helixtrans-75.6-42.1168.3169.10000110.6I830 V836 R837 C838I830-V834 HydrophobicContact CG2-CG2 4.3Å; I830-V834 WeakPolarHBondContact O-CA 3.46Å; I830-V834 WeakPolarHBondContact O-CB 3.28Å; I830-V834 WeakPolarHBondContact O-CG2 3.2Å; I830-V834 PolarHBondContact O-N 2.9Å; V834-V836 VanDerWaalsContact C-N 3.31Å; V834-V836 PolarHBondContact O-N 2.93Å; V834-R837 CarbonylContact O-C 3.56Å; V834-R837 PolarHBondContact O-N 2.79Å; V834-C838 WeakPolarHBondContact O-CA 3.29Å; V834-C838 WeakPolarHBondContact O-CB 3.23Å; V834-C838 PolarHBondContact O-N 3.27Å; V834-C838 PolarHBondContact O-SG 2.88Å
835L73.6Confident69.2Low73 Ų73103.1 Ų103.138%0.38252%0.521SS..Hα-helixtrans-67.8-29.8171.8-79.1176.5000112.2F831 V832 R839F831-L835 HydrophobicContact CD1-CD1 3.62Å; F831-L835 HydrophobicContact CD1-CG 3.85Å; F831-L835 HydrophobicContact CE1-CD1 3.74Å; F831-L835 HydrophobicContact CE1-CD2 4.39Å; F831-L835 HydrophobicContact CE1-CG 3.94Å; F831-L835 WeakPolarHBondContact O-CA 3.5Å; F831-L835 WeakPolarHBondContact O-CB 3.32Å; F831-L835 WeakPolarHBondContact O-CG 3.33Å; F831-L835 PolarHBondContact O-N 3.5Å; V832-L835 CarbonylContact O-C 3.51Å; V832-L835 PolarHBondContact O-N 2.8Å; L835-R839 WeakPolarHBondContact O-CA 3.37Å; L835-R839 WeakPolarHBondContact O-CB 3.02Å; L835-R839 WeakPolarHBondContact O-CG 3.48Å; L835-R839 PolarHBondContact O-N 3.18Å
836V69.3Low67.3Low74 Ų74101.9 Ų101.945%0.44852%0.521SS..Hα-helixtrans-77.8-35.7173.1167.10000110V832 V834 H840V832-V836 HydrophobicContact CG1-CG2 4.13Å; V832-V836 WeakPolarHBondContact O-CA 3.39Å; V832-V836 WeakPolarHBondContact O-CB 3.29Å; V832-V836 WeakPolarHBondContact O-CG2 3.36Å; V832-V836 PolarHBondContact O-N 2.9Å; V834-V836 VanDerWaalsContact C-N 3.31Å; V834-V836 PolarHBondContact O-N 2.93Å; V836-H840 WeakPolarHBondContact O-CA 3.25Å; V836-H840 WeakPolarHBondContact O-CB 3.18Å; V836-H840 PolarHBondContact O-CD2 3.03Å; V836-H840 VanDerWaalsContact O-CD2 3.31Å; V836-H840 PolarHBondContact O-N 3.26Å
837R61.5Low65.2Low195 Ų195101.3 Ų101.374%0.73653%0.525SS*.Hα-helixtrans-72.7-27.3169.8-80.1177.9166.2156.7-2.4113.1T833 V834 A841T833-R837 WeakPolarHBondContact O-CB 3.17Å; T833-R837 VanDerWaalsContact O-CG 3.27Å; T833-R837 WeakPolarHBondContact O-CG 3.36Å; T833-R837 PolarHBondContact O-N 2.97Å; V834-R837 CarbonylContact O-C 3.56Å; V834-R837 PolarHBondContact O-N 2.79Å; R837-A841 WeakPolarHBondContact O-CA 3.43Å; R837-A841 WeakPolarHBondContact O-CB 3.28Å; R837-A841 PolarHBondContact O-N 2.77Å
838C61.9Low63.1Low71 Ų71103.8 Ų103.848%0.4854%0.535SS..Hα-helixtrans-85.5-31.3174.4-730000112.2V834 A841 S842V834-C838 WeakPolarHBondContact O-CA 3.29Å; V834-C838 WeakPolarHBondContact O-CB 3.23Å; V834-C838 PolarHBondContact O-N 3.27Å; V834-C838 PolarHBondContact O-SG 2.88Å; C838-A841 PolarHBondContact O-N 2.79Å; C838-S842 WeakPolarHBondContact O-CB 3.29Å; C838-S842 PolarHBondContact O-N 3.37Å; C838-S842 PolarHBondContact O-OG 2.86Å
839R59.4Low60.9Low171 Ų171110.3 Ų110.365%0.64555%0.551SS**Hα-helixtrans-79.7-25.2168.6-73177.4164.5174.8-3.8112.5L835 S842 R843L835-R839 WeakPolarHBondContact O-CA 3.37Å; L835-R839 WeakPolarHBondContact O-CB 3.02Å; L835-R839 WeakPolarHBondContact O-CG 3.48Å; L835-R839 PolarHBondContact O-N 3.18Å; R839-S842 WeakPolarHBondContact CA-OG 3.23Å; R839-S842 PolarHBondContact O-OG 3.11Å; R839-R843 WeakPolarHBondContact O-CB 3.4Å; R839-R843 VanDerWaalsContact O-CG 3.3Å; R839-R843 WeakPolarHBondContact O-CG 3.36Å; R839-R843 PolarHBondContact O-N 3.03Å
840H52.8Low58.6Low117 Ų117111 Ų11154%0.54256%0.56SS.*Hα-helixtrans-72.2-44.2159.7-89.6-108.7000109.9V836 S842 R843 F844V836-H840 WeakPolarHBondContact O-CA 3.25Å; V836-H840 WeakPolarHBondContact O-CB 3.18Å; V836-H840 PolarHBondContact O-CD2 3.03Å; V836-H840 VanDerWaalsContact O-CD2 3.31Å; V836-H840 PolarHBondContact O-N 3.26Å; H840-S842 PolarHBondContact O-N 3.37Å; H840-R843 PolarHBondContact O-N 2.9Å; H840-F844 WeakPolarHBondContact O-CA 3.29Å; H840-F844 WeakPolarHBondContact O-CB 3.49Å; H840-F844 PolarHBondContact O-N 3.44Å
841A51.9Low56.1Low48 Ų48116.4 Ų116.440%0.39758%0.579SS.*Hα-helixtrans-59.4-33.117500000112.3R837 C838 K845R837-A841 WeakPolarHBondContact O-CA 3.43Å; R837-A841 WeakPolarHBondContact O-CB 3.28Å; R837-A841 PolarHBondContact O-N 2.77Å; C838-A841 PolarHBondContact O-N 2.79Å; A841-K845 WeakPolarHBondContact O-CB 3.47Å; A841-K845 WeakPolarHBondContact O-CD 3.38Å; A841-K845 WeakPolarHBondContact O-CG 3.17Å; A841-K845 PolarHBondContact O-N 2.92Å; A841-K845 VanDerWaalsContact O-N 3.16Å
842S53.3Low53.4Low66 Ų66119.2 Ų119.246%0.46259%0.594SS.*Hα-helixtrans-82.1-41174.173.70000113.6C838 R839 H840 K845 A846C838-S842 WeakPolarHBondContact O-CB 3.29Å; C838-S842 PolarHBondContact O-N 3.37Å; C838-S842 PolarHBondContact O-OG 2.86Å; R839-S842 WeakPolarHBondContact CA-OG 3.23Å; R839-S842 PolarHBondContact O-OG 3.11Å; H840-S842 PolarHBondContact O-N 3.37Å; S842-K845 CarbonylContact O-C 3.55Å; S842-K845 PolarHBondContact O-N 3.12Å; S842-A846 WeakPolarHBondContact O-CB 3.41Å; S842-A846 PolarHBondContact O-N 2.99Å
843R47.9Very low51Low195 Ų195119.6 Ų119.674%0.73661%0.613SS**Hα-helixtrans-70.9-32.1175.3-74.8-174.4167.6-171.7-4113.3R839 H840 A846 A847R839-R843 WeakPolarHBondContact O-CB 3.4Å; R839-R843 VanDerWaalsContact O-CG 3.3Å; R839-R843 WeakPolarHBondContact O-CG 3.36Å; R839-R843 PolarHBondContact O-N 3.03Å; H840-R843 PolarHBondContact O-N 2.9Å; R843-A846 PolarHBondContact O-N 2.87Å; R843-A847 VanDerWaalsContact O-CB 3.28Å; R843-A847 WeakPolarHBondContact O-CB 3.2Å; R843-A847 PolarHBondContact O-N 2.57Å
844F45.8Very low48.8Very low132 Ų132121.3 Ų121.358%0.57963%0.634SS**Hα-helixtrans-72.8-39.7172.4-145.1-90.5000110.2H840 A846 A847 Q848H840-F844 WeakPolarHBondContact O-CA 3.29Å; H840-F844 WeakPolarHBondContact O-CB 3.49Å; H840-F844 PolarHBondContact O-N 3.44Å; F844-A846 VanDerWaalsContact C-N 3.26Å; F844-A846 PolarHBondContact O-N 2.9Å; F844-A847 PolarHBondContact O-N 2.92Å; F844-Q848 WeakPolarHBondContact O-CB 3.4Å; F844-Q848 PolarHBondContact O-N 2.96Å
845K46.3Very low46.3Very low164 Ų164126.5 Ų126.571%0.71365%0.654SS**Hα-helixtrans-67.1-21169-76.7178.2177.2-177.60114.3A841 S842A841-K845 WeakPolarHBondContact O-CB 3.47Å; A841-K845 WeakPolarHBondContact O-CD 3.38Å; A841-K845 WeakPolarHBondContact O-CG 3.17Å; A841-K845 PolarHBondContact O-N 2.92Å; A841-K845 VanDerWaalsContact O-N 3.16Å; S842-K845 CarbonylContact O-C 3.55Å; S842-K845 PolarHBondContact O-N 3.12Å
846A47Very low44.1Very low68 Ų68134.3 Ų134.356%0.56268%0.678SS**Hα-helixtrans-83.6-46.9172.200000112.3S842 R843 F844S842-A846 WeakPolarHBondContact O-CB 3.41Å; S842-A846 PolarHBondContact O-N 2.99Å; R843-A846 PolarHBondContact O-N 2.87Å; F844-A846 VanDerWaalsContact C-N 3.26Å; F844-A846 PolarHBondContact O-N 2.9Å
847A41Very low42.2Very low71 Ų71138.7 Ų138.759%0.58770%0.696SS**Hα-helixtrans-70.4-33.2-178.400000113.1R843 F844 R849R843-A847 VanDerWaalsContact O-CB 3.28Å; R843-A847 WeakPolarHBondContact O-CB 3.2Å; R843-A847 PolarHBondContact O-N 2.57Å; F844-A847 PolarHBondContact O-N 2.92Å; A847-R849 PolarHBondContact O-N 3.11Å; A847-R849 VanDerWaalsContact O-N 3.16Å
848Q42.2Very low40.6Very low143 Ų143134.7 Ų134.767%0.66870%0.698SS**THydrogen-bonded Turntrans-8012.4-177.5-156.1174.92.400113.8F844F844-Q848 WeakPolarHBondContact O-CB 3.4Å; F844-Q848 PolarHBondContact O-N 2.96Å
849R38.8Very low39.3Very low214 Ų214137.1 Ų137.181%0.80871%0.713SS**THydrogen-bonded Turntrans-117.97.5-179.1-102.7-174.9172.3-164.9-3.9116.3A847A847-R849 PolarHBondContact O-N 3.11Å; A847-R849 VanDerWaalsContact O-N 3.16Å
850S34.6Very low37.9Very low98 Ų98135.4 Ų135.469%0.68572%0.716SS**SBendtrans-117.513.1178.955.70000115
851K31.6Very low36.8Very low208 Ų208137.7 Ų137.790%0.90473%0.727SS**  trans-130.253.2167.1-82.5-165.4171.4-174.80113
852Q28.2Very low35.6Very low187 Ų187142.9 Ų142.987%0.87474%0.743SS**  trans-97.9116.1145.1-70.6-176-62.700106.2
853G28.7Very low34.5Very low83 Ų83147.2 Ų147.286%0.85676%0.761SS**  trans15840.6-171.200000115.4
854A29.1Very low33.6Very low101 Ų101146.9 Ų146.984%0.83577%0.765SS**  trans-162.4117.1164.100000108.2
855E27.1Very low32.8Very low178 Ų178149.7 Ų149.783%0.83278%0.78SS**  trans-79.8147173-67164.193.600110.7
856W28Very low32Very low237 Ų237149.4 Ų149.490%0.89879%0.786SS**  trans-170.9166.9133.4-88.3112.1000107.9
857M28.4Very low31.2Very low165 Ų165156.1 Ų156.181%0.81380%0.803SS**  trans-97.3159.4-151-64.8147.4178.400116.3
858S28.3Very low30.4Very low112 Ų112162.6 Ų162.678%0.78382%0.818SS**  trans-113161.5168.8-60.30000110.7
859P35.1Very low29.7Very low121 Ų121166.2 Ų166.279%0.78683%0.831SS**  -153.9144.110737.1-18.3000118.9
860N29.2Very low29Very low136 Ų136165.6 Ų165.673%0.72784%0.835SS**  trans54.7120.6137.1-72.221.1000126.4
861Q30.1Very low28.5Very low165 Ų165172 Ų17277%0.77184%0.844SS**  87162.5120-72.2-170.6-69.200123.9
862E27Very low28.2Very low156 Ų156171.5 Ų171.573%0.72984%0.841SS**  trans-90153.1-157.9-51.2148.189.400114.2
863N29.6Very low28.1Very low157 Ų157172.6 Ų172.684%0.8484%0.843SS**  -169.2171.2118.2-113.7-73.5000115.8
864K28.7Very low28Very low189 Ų189180.6 Ų180.682%0.82285%0.848SS**  trans-83.6148.4-177.6-60164.9178.7167.70113.1
865Q30.8Very low27.9Very low191 Ų191185.7 Ų185.789%0.89385%0.851SS**  -178.3160.4119.9-102.3-174.630.600114.6
866N29.5Very low27.9Very low157 Ų157182.2 Ų182.284%0.8485%0.846SS**  trans-89.1136.1176.8-82.4-42.2000113
867K28.3Very low28.3Very low210 Ų210177.1 Ų177.191%0.91384%0.844SS**  trans-165146145.4-112.1157.1-172.6171.20113.7
868K24.2Very low28.3Very low207 Ų207179 Ų17990%0.985%0.847SS**  trans-78138.8-179.8-62.6172177.7173.90112
869K28.5Very low28.2Very low218 Ų218179.2 Ų179.295%0.94885%0.849SS**  trans-160.3155.6139.7-113.7169.6-174.5179.70112.6
870K22.9Very low27.9Very low202 Ų202179.3 Ų179.388%0.87885%0.852SS**  trans-86.7144.8-170.9-59.5170175.1176.60112.2
871R24.9Very low27.7Very low233 Ų233180.1 Ų180.188%0.87986%0.856SS**  -175.1144115.3-105.3174.5168.6-178.5-4.2115.3
872K26.5Very low27.5Very low197 Ų197178.9 Ų178.986%0.85785%0.854SS**  trans35.997.5157.2-64.3-170.6173.6-173.10119.7
873K25.6Very low27.5Very low210 Ų210179.1 Ų179.191%0.91386%0.86SS**PPolyproline II helixtrans-73.8142.1145.9-82-174171.5-175.80109.8
874R26.5Very low27.4Very low250 Ų250180.2 Ų180.294%0.94386%0.858SS**PPolyproline II helixtrans-78.3150.2156-90.5176.7150.8170.9-9.1109.1
875K26.3Very low27.3Very low209 Ų209177.7 Ų177.791%0.90986%0.858SS**PPolyproline II helixtrans-95.6144.3174.2-70.6-179.7176.21790110.2
876S28.2Very low27.1Very low104 Ų104174.7 Ų174.773%0.72785%0.853SS**PPolyproline II helixtrans-93.4157.1151.144.60000109.5
877P35.1Very low27Very low131 Ų131174.8 Ų174.885%0.85185%0.852SS**PPolyproline II helixtrans-74.7157.7-177.531.1-35.2000112.4
878K28.1Very low27Very low203 Ų203173.6 Ų173.688%0.88385%0.849SS**PPolyproline II helixtrans-102.1134.3170.7-72.3-174.1170-167.50109.4
879S27Very low27.2Very low118 Ų118173.1 Ų173.183%0.82585%0.851SS**PPolyproline II helixtrans-69.3145.9154.142.80000109.6
880S28Very low27.3Very low122 Ų122168.5 Ų168.585%0.85385%0.846SS**PPolyproline II helixtrans-96.6147.8170.9-162.60000109.7
881L26.5Very low27.7Very low153 Ų153168.6 Ų168.680%0.80185%0.846SS**PPolyproline II helixtrans-102.3169.2178.6-93.7164.3000111.7
882L25.8Very low28.9Very low140 Ų140162.7 Ų162.773%0.73384%0.838SS**PPolyproline II helixtrans-53.5146175.8-63.9131.2000112.8
883N27.2Very low29.1Very low160 Ų160160.9 Ų160.986%0.85684%0.838SS**  trans-109.7136.5157.3-82.4-17.2000108.5
884F26.8Very low29.1Very low180 Ų180158.4 Ų158.479%0.78983%0.834SS**  trans-92.8150.1167.6-72.9-99.3000109.5
885V26Very low29.4Very low136 Ų136151.3 Ų151.382%0.82483%0.829SS**  trans-112.2118.3169.9178.50000107.9
886T28.3Very low29.5Very low129 Ų129147.5 Ų147.579%0.79182%0.823SS**  trans-117135.2174.647.40000109.1
887I26Very low29.6Very low158 Ų158151.8 Ų151.881%0.8183%0.831SS**  trans-110.3130.5179.4-57.8174000107.4
888E29.3Very low29.4Very low185 Ų185154 Ų15486%0.86483%0.831SS**  trans-123.5134.4169.4-70.5-170.2141.400109.5
889E27.4Very low29.8Very low198 Ų198149 Ų14993%0.92582%0.818SS**  trans-76.8150.1170.1-66.4-177.9107.200110.9
890S31.9Very low30Very low121 Ų121151.5 Ų151.585%0.84682%0.821SS**  trans-136.5142.9170.345.40000111.2
891K30.9Very low30Very low203 Ų203152.9 Ų152.988%0.88382%0.819SS**  trans-93.8156.4-178.3-82.9-177.6175.6178.20111.8
892P49.2Very low30.2Very low110 Ų110148.7 Ų148.771%0.71481%0.813SS**  trans-79.4158.317834.8-37.1000112.8
893D30.5Very low30.4Very low159 Ų159149 Ų14985%0.8582%0.821SS**  -169.4164.4123.9-94.5-14000111
894D26.2Very low30.6Very low157 Ų157149.2 Ų149.284%0.8482%0.82SS**  trans-64.9149.4-161.9-69.2-56.6000118.2
895A32.3Very low30.8Very low102 Ų102145.5 Ų145.584%0.84382%0.816SS**  -162.3112.9129.100000113.2
896V28.3Very low30.9Very low128 Ų128146.9 Ų146.978%0.77682%0.818SS**  trans-43.4130.5176.1176.30000115.7
897H30.3Very low31.2Very low194 Ų194146.8 Ų146.890%0.89882%0.82SS**  trans-157.8122.8138.9-106.3-66.8000111.4
898E31.7Very low31.4Very low179 Ų179143.5 Ų143.584%0.83682%0.816SS**  trans-84159.9-176.3-88.9-164.9134.900114.6
899P37.1Very low31.6Very low96 Ų96144 Ų14462%0.62382%0.819SS**  trans-95.9157.6-159.337-36.8000115.5
900I30.4Very low31.8Very low171 Ų171143 Ų14388%0.87782%0.819SS**  trans-113.6104.9162.8-61.1178.6000108.2
901N28.3Very low31.8Very low151 Ų151145.5 Ų145.581%0.80782%0.817SS**  trans-78.8120.3176.5-72.4-28.7000110.8
902G31.7Very low31.6Very low66 Ų66145.2 Ų145.268%0.6882%0.819SS**  trans-130.793.917700000111.6
903T29.1Very low30.8Very low146 Ų146148.2 Ų148.290%0.89682%0.823SS**  trans-79.7118.9177.8-54.50000109.6
904I31.2Very low30.6Very low164 Ų164146.4 Ų146.484%0.84182%0.823SS**  trans-101.1114-179.5-60.5177.6000109.5
905S30.4Very low30.8Very low102 Ų102147.3 Ų147.371%0.71383%0.826SS**PPolyproline II helixtrans-78.4154175.750.60000112.6
906L27.9Very low30.8Very low166 Ų166145.4 Ų145.487%0.86982%0.816SS**PPolyproline II helixtrans-67138.8-178.9-69.678.4000111.7
907P34.7Very low30.7Very low127 Ų127150.6 Ų150.683%0.82582%0.822SS**PPolyproline II helixtrans-77.7137.9169.532.2-33.1000111.1
908A30.6Very low30.8Very low89 Ų89149.9 Ų149.974%0.73682%0.816SS**  trans-103.9-175.6165.400000110
909E33Very low30.6Very low196 Ų196148.2 Ų148.292%0.91681%0.814SS**  trans70.2107.8176.7-54.9-172.8156.300114.7
910L31.7Very low30.4Very low176 Ų176154.7 Ų154.792%0.92183%0.826SS**  trans-114.8107.8175.3-158.887.9000107.1
911E32.3Very low30.7Very low173 Ų173149.8 Ų149.881%0.80882%0.817SS**  trans-64.1139.9-173.5-70-176.9115.100113.4Q913E911-Q913 PolarHBondContact O-N 3.06Å
912E27.5Very low31.1Very low197 Ų197149.2 Ų149.292%0.92182%0.822SS**  trans-73.5120.5171.4-61.1-173.8125.100110.7
913Q30.9Very low31.2Very low173 Ų173150.5 Ų150.581%0.80883%0.826SS**  trans-108118.5174-69.9-164.6-8.900112.4E911 I915E911-Q913 PolarHBondContact O-N 3.06Å; Q913-I915 PolarHBondContact O-N 3.09Å
914S27.7Very low31.4Very low121 Ų121149.2 Ų149.285%0.84682%0.82SS**  trans-85.3107.6-172.260.10000113.9
915I29.9Very low31.6Very low176 Ų176146.6 Ų146.690%0.90381%0.814SS**  trans-142.1132.2164.5-58.5179.2000107.2Q913Q913-I915 PolarHBondContact O-N 3.09Å
916G31.8Very low31.8Very low62 Ų62148.4 Ų148.464%0.63982%0.821SS**  cis-175.3153.1-5.300000109.1
917R26.9Very low32Very low237 Ų237146.1 Ų146.189%0.89481%0.814SS**  trans-58139.3-174.9-88.7-176.2174.3161.8-3.1112.9
918F32.1Very low31.9Very low179 Ų179149.8 Ų149.879%0.78582%0.817SS**  trans-132.7112.9162.9-115.3-89.6000108.8
919D28.5Very low31.9Very low145 Ų145152.9 Ų152.978%0.77581%0.814SS**  trans-79.8134-179.7-65.6-51.6000111.2
920W32.3Very low32.1Very low231 Ų231147.9 Ų147.988%0.87580%0.799SS**  trans-129.3119170.5-7697.1000110.2
921G35.5Very low32.2Very low68 Ų68147 Ų14770%0.70180%0.795SS**  trans-76.3156.4177.600000112.9
922P38.4Very low32.1Very low139 Ų139143.9 Ų143.990%0.90379%0.792SS**  trans-84.6141.1-167.832.7-35.7000114.3
923A33.5Very low32.7Very low94 Ų94139.9 Ų139.978%0.77778%0.783SS**  trans-139.3150.2161.600000109
924P33.2Very low33Very low119 Ų119138.1 Ų138.177%0.77378%0.78SS**  trans-83.2159.1-156.431.7-36.7000115.3
925P35.2Very low33.4Very low108 Ų108139.3 Ų139.370%0.70178%0.775SS**  trans-85.4141.3-168.333.1-35.8000114.8T927P925-T927 HydrophobicContact CB-CG2 4.29Å
926T33.8Very low33.9Very low140 Ų140134.6 Ų134.686%0.85976%0.763SS**  trans-117.670165.149.10000110.1F928T926-F928 PolarHBondContact O-N 2.76Å
927T33.1Very low34.2Very low118 Ų118140.8 Ų140.872%0.72477%0.772SS**  trans-75.487.6-175.441.20000112.9P925P925-T927 HydrophobicContact CB-CG2 4.29Å
928F31.2Very low34.6Very low205 Ų205138 Ų13890%0.89977%0.769SS**PPolyproline II helixtrans-61.6138.8151.1-97.8-98.7000109.2T926T926-F928 PolarHBondContact O-N 2.76Å
929K30.8Very low34.4Very low153 Ų153139.3 Ų139.367%0.66577%0.77SS**PPolyproline II helixtrans-66150.6-175.6-87.6-179.7168.2-178.10112H1138K929-H1138 WeakPolarHBondContact CE-CE1 3.42Å; K929-H1138 WeakPolarHBondContact CE-NE2 2.9Å
930P38.5Very low34.6Very low91 Ų91142.2 Ų142.259%0.59178%0.776SS**PPolyproline II helixtrans-76.6166.2-165.331.7-37.2000114.1L1136P930-L1136 HydrophobicContact CG-CD2 4.26Å
931N33.4Very low34.7Very low159 Ų159135.7 Ų135.785%0.8577%0.766SS**PPolyproline II helixtrans-62.4156.3-179-60.6-37.2000113.3
932S31Very low34.6Very low107 Ų107137.2 Ų137.275%0.74877%0.772SS**PPolyproline II helixtrans-54.7150.9166.841.50000112.5D934S932-D934 PolarHBondContact O-N 2.95Å
933P40Very low34.1Very low113 Ų113135.5 Ų135.573%0.73476%0.763SS**PPolyproline II helixtrans-65.3133.6-17625.9-34.4000112.2L935P933-L935 PolarHBondContact O-N 3.01Å
934D37.1Very low34.3Very low136 Ų136137 Ų13773%0.72777%0.765SS**  trans-70.2105.5179.1179.410.8000111.3S932 A936S932-D934 PolarHBondContact O-N 2.95Å; D934-A936 PolarHBondContact O-N 3.43Å; D934-A936 VanDerWaalsContact O-N 3.12Å; D934-A936 WeakPolarHBondContact OD1-CB 3.26Å; D934-A936 PolarHBondContact OD1-N 3.49Å; D934-A936 VanDerWaalsContact OD1-N 3.07Å
935L36.1Very low34Very low145 Ų145140.4 Ų140.476%0.75977%0.77SS**  trans-67.5-5-179.5-115.974.3000114.2P933 K937 H938P933-L935 PolarHBondContact O-N 3.01Å; L935-K937 PolarHBondContact O-N 2.99Å; L935-H938 PolarHBondContact O-N 3.49Å
936A39.7Very low33.9Very low78 Ų78140.7 Ų140.765%0.64577%0.772SS**THydrogen-bonded Turntrans-68.113.1-171.800000116.5D934D934-A936 PolarHBondContact O-N 3.43Å; D934-A936 VanDerWaalsContact O-N 3.12Å; D934-A936 WeakPolarHBondContact OD1-CB 3.26Å; D934-A936 PolarHBondContact OD1-N 3.49Å; D934-A936 VanDerWaalsContact OD1-N 3.07Å
937K37.7Very low33.8Very low192 Ų192138 Ų13884%0.83577%0.765SS**THydrogen-bonded Turntrans-108.6-11.1174.2-83-174.5177.1176.30116.1L935L935-K937 PolarHBondContact O-N 2.99Å
938H35.5Very low33.6Very low178 Ų178142.3 Ų142.382%0.82477%0.773SS**SBendtrans-97.92.6-177.3-118.7-91.3000116.2L935L935-H938 PolarHBondContact O-N 3.49Å
939Y28.9Very low33.7Very low206 Ų206140.6 Ų140.681%0.80877%0.768SS**  trans-117.591.3170.8-84.1-84.2000111.7
940K32.1Very low33.6Very low206 Ų206141.1 Ų141.190%0.89678%0.777SS**  trans-129.537.9169.7-97.2-165.6175-173.20113.2
941S33Very low33.1Very low94 Ų94145.3 Ų145.366%0.65779%0.786SS**  trans-106.654.6171.143.70000110.9S943S941-S943 PolarHBondContact O-N 3.29Å
942A34Very low33.2Very low101 Ų101143.9 Ų143.984%0.83579%0.786SS**  trans-76.883.2-176.600000112.1
943S28.6Very low33.2Very low103 Ų103145.5 Ų145.572%0.7279%0.786SS**PPolyproline II helixtrans-63.7149.6159.145.80000110.3S941S941-S943 PolarHBondContact O-N 3.29Å
944P36.6Very low32.7Very low125 Ų125145.9 Ų145.981%0.81279%0.787SS**PPolyproline II helixtrans-72.8135.8-166.3-1832.8000112.7P946P944-P946 WeakPolarHBondContact O-CD 3.4Å
945Q28.3Very low32.5Very low190 Ų190145.8 Ų145.889%0.88879%0.793SS**PPolyproline II helixtrans-64.7125.4171.4-73-173.6-22.500110.5
946P32.8Very low32.3Very low114 Ų114144.8 Ų144.874%0.7479%0.793SS**PPolyproline II helixtrans-67.6143.9171.728.9-33.9000110.2P944 F948P944-P946 WeakPolarHBondContact O-CD 3.4Å; P946-F948 PolarHBondContact O-N 3.23Å
947A31Very low31.8Very low85 Ų85146.6 Ų146.670%0.70280%0.801SS**PPolyproline II helixtrans-66.7122.3-175.900000111.4H949A947-H949 VanDerWaalsContact C-N 3.27Å; A947-H949 PolarHBondContact O-N 3.3Å
948F29.3Very low31.5Very low207 Ų207143 Ų14391%0.90880%0.795SS**  trans-66.281.2174-103.9-99000111.5P946 L950P946-F948 PolarHBondContact O-N 3.23Å; F948-L950 PolarHBondContact O-N 2.94Å
949H33.2Very low31.2Very low169 Ų169143.3 Ų143.378%0.78279%0.794SS**  trans-75.1107.6162.5-92.3-118.1000108.9A947 K951A947-H949 VanDerWaalsContact C-N 3.27Å; A947-H949 PolarHBondContact O-N 3.3Å; H949-K951 PolarHBondContact O-N 3.33Å
950L28.9Very low31.2Very low164 Ų164143.4 Ų143.486%0.85980%0.798SS**  trans-55.7108.5171.2-79.4146.9000109.8F948 P952F948-L950 PolarHBondContact O-N 2.94Å; L950-P952 WeakPolarHBondContact O-CD 3.45Å
951K28.2Very low30.9Very low179 Ų179141.6 Ų141.678%0.77879%0.793SS**  trans-66.4124.7165.8-68.7-178.8178.7178.30107.9H949 D953H949-K951 PolarHBondContact O-N 3.33Å; K951-D953 PolarHBondContact O-N 2.9Å
952P35.3Very low30.6Very low130 Ų130145.6 Ų145.684%0.84480%0.8SS**  trans-78.2106.1172.830.1-31000109.2L950L950-P952 WeakPolarHBondContact O-CD 3.45Å
953D30.1Very low30.3Very low140 Ų140146.9 Ų146.975%0.74980%0.798SS**  trans-69150.8-177.6-76.8-49.8000114K951K951-D953 PolarHBondContact O-N 2.9Å
954T30.5Very low30.2Very low122 Ų122149.6 Ų149.675%0.74880%0.802SS**SBendtrans63.1122.617254.70000118.3V956T954-V956 PolarHBondContact O-N 3.09Å
955P33.2Very low29.9Very low133 Ų133151.5 Ų151.586%0.86480%0.801SS**  trans-79107.1179.431.4-33.8000112S957P955-S957 PolarHBondContact O-N 3.37Å
956V30.9Very low29.9Very low124 Ų124151.1 Ų151.175%0.75280%0.799SS**  trans-71.5119.4171.4-179.70000109.9T954 V958T954-V956 PolarHBondContact O-N 3.09Å; V956-V958 HydrophobicContact CG1-CG2 4.36Å; V956-V958 PolarHBondContact O-N 3.08Å
957S30.6Very low29.6Very low117 Ų117153.1 Ų153.182%0.81880%0.802SS**  trans-74.578-175.647.60000113.3P955P955-S957 PolarHBondContact O-N 3.37Å
958V30.6Very low29.6Very low117 Ų117154 Ų15471%0.70980%0.801SS**  trans-72.9127.4178.3179.50000111.5V956V956-V958 HydrophobicContact CG1-CG2 4.36Å; V956-V958 PolarHBondContact O-N 3.08Å
959K28.8Very low29.7Very low183 Ų183152.2 Ų152.280%0.79680%0.8SS**  trans-68.9134.2-176.3-63.9169.4-177.7171.60112.1H961K959-H961 PolarHBondContact O-N 3.05Å; K959-H961 PolarHBondContact O-ND1 2.79Å
960K28.7Very low29.5Very low208 Ų208150.6 Ų150.690%0.90480%0.797SS**  trans8.981.3155.7-65.9-173.9176-174.10115.2
961H26Very low29.4Very low168 Ų168149.7 Ų149.778%0.77879%0.793SS**  trans-77.1149.3154.6-85.155.7000109K959K959-H961 PolarHBondContact O-N 3.05Å; K959-H961 PolarHBondContact O-ND1 2.79Å
962H27.4Very low29.4Very low178 Ų178147.2 Ų147.282%0.82479%0.793SS**  trans-66138.9-174-80.528.5000110.9I964H962-I964 PolarHBondContact O-N 3Å; H962-I964 VanDerWaalsContact O-N 3.12Å
963V27.7Very low29Very low129 Ų129149.2 Ų149.278%0.78279%0.789SS**  trans-57.6115.6165.2175.40000107.2Q965V963-Q965 VanDerWaalsContact C-N 3.29Å; V963-Q965 PolarHBondContact O-N 3.03Å
964I27.2Very low29Very low159 Ų159149.1 Ų149.182%0.81579%0.793SS**  trans-70.599.8160.5-65175.2000104.2H962 E966H962-I964 PolarHBondContact O-N 3Å; H962-I964 VanDerWaalsContact O-N 3.12Å; I964-E966 PolarHBondContact O-N 3.02Å; I964-E966 VanDerWaalsContact O-N 3.09Å
965Q28.9Very low28.7Very low165 Ų165146.9 Ų146.977%0.77179%0.794SS**  trans-69.8107-176.7-174.2173-5.700108.1V963 L967V963-Q965 VanDerWaalsContact C-N 3.29Å; V963-Q965 PolarHBondContact O-N 3.03Å; Q965-L967 PolarHBondContact O-N 2.87Å
966E27.9Very low28.5Very low182 Ų182143.6 Ų143.685%0.8579%0.785SS**PPolyproline II helixtrans-58.4121.9177.2-64.4-175.614500109I964I964-E966 PolarHBondContact O-N 3.02Å; I964-E966 VanDerWaalsContact O-N 3.09Å
967L27.9Very low28.5Very low156 Ų156143.8 Ų143.882%0.81779%0.79SS**PPolyproline II helixtrans-77135.5175.4-77161.9000108.2Q965Q965-L967 PolarHBondContact O-N 2.87Å
968P31.1Very low28.3Very low103 Ų103145.4 Ų145.467%0.66979%0.79SS**PPolyproline II helixtrans-54.7145.5179.5-26.935.1000112.6D970P968-D970 PolarHBondContact O-N 3.08Å
969L31.2Very low28.5Very low170 Ų170146.5 Ų146.589%0.8980%0.797SS**SBendtrans-75.530.4-177.7-80.2154.2000114
970D29.5Very low28.4Very low135 Ų135145.7 Ų145.772%0.72280%0.8SS**  trans-97.683.1171.2-71.7-46.2000109.7P968P968-D970 PolarHBondContact O-N 3.08Å
971N26.6Very low28.5Very low145 Ų145141.5 Ų141.578%0.77580%0.797SS**  trans173.460.6152-96.6-61.1000112.9F973N971-F973 PolarHBondContact O-N 3.16Å
972T27.8Very low28.7Very low127 Ų127142.4 Ų142.478%0.77980%0.799SS**  trans-81.955.7170.9-40.50000111.1V974T972-V974 PolarHBondContact O-N 3.4Å
973F26Very low28.8Very low173 Ų173145.7 Ų145.776%0.75980%0.804SS**  trans-78.9103.6-172.3-139.7-81.7000111.5N971 G975N971-F973 PolarHBondContact O-N 3.16Å; F973-G975 PolarHBondContact O-N 2.89Å; F973-G975 VanDerWaalsContact O-N 3.09Å
974V31.1Very low29Very low137 Ų137145 Ų14583%0.8381%0.805SS**  trans-79.694-176.2-176.80000111.2T972T972-V974 PolarHBondContact O-N 3.4Å
975G24.4Very low29.1Very low75 Ų75142 Ų14277%0.77380%0.799SS**  trans61.454.4147.400000118.7F973F973-G975 PolarHBondContact O-N 2.89Å; F973-G975 VanDerWaalsContact O-N 3.09Å
976G27.8Very low29.1Very low65 Ų65140.4 Ų140.467%0.6780%0.8SS**PPolyproline II helixtrans-90132.9162.500000112
977C30.8Very low29.1Very low128 Ų128137.2 Ų137.287%0.86580%0.798SS**PPolyproline II helixtrans-74144.2-178.5-72.20000113.6T979C977-T979 PolarHBondContact O-N 3.02Å
978D27.4Very low29.1Very low151 Ų151134.1 Ų134.181%0.80779%0.789SS**PPolyproline II helixtrans-59.1123.2-179.4-69.5-70.5000113.9
979T33.9Very low29.1Very low140 Ų140135.9 Ų135.986%0.85979%0.793SS**  trans-128110.6152.247.50000110C977 S981C977-T979 PolarHBondContact O-N 3.02Å; T979-S981 PolarHBondContact O-N 3.45Å
980L28Very low28.8Very low165 Ų165136.2 Ų136.286%0.86479%0.79SS**  trans-81.9114.4-176.7-74.6164.1000111.1
981S30.8Very low28.8Very low121 Ų121140 Ų14085%0.84680%0.8SS**  trans-131.2142.5160.5-168.90000111.2T979T979-S981 PolarHBondContact O-N 3.45Å
982K30Very low29Very low186 Ų186139 Ų13981%0.80980%0.804SS**  trans-117126.1-173.3-69.7178.9-179.4173.40111.3
983R29.6Very low29.1Very low247 Ų247137.8 Ų137.893%0.93281%0.808SS**  trans32.4102.9149.9-68.4-176.4171.7-171.9-3118.3
984S31.6Very low29.4Very low115 Ų115135.4 Ų135.480%0.80481%0.812SS**  trans-150.8102.8138.3-70.20000106.6
985S29.6Very low29.3Very low97 Ų97137.9 Ų137.968%0.67882%0.815SS**  7497.168.874.80000115.6
986T28.8Very low29.5Very low130 Ų130140.8 Ų140.880%0.79882%0.822SS**  trans71.5147.2145.555.40000121.7
987S28.2Very low29.5Very low116 Ų116142.4 Ų142.481%0.81182%0.823SS**  trans65.8142.117347.60000118.1
988S27.8Very low29.6Very low91 Ų91142.1 Ų142.164%0.63682%0.822SS**  cis-160.9167.8-15.558.20000111.7
989D29.9Very low29.6Very low139 Ų139143.9 Ų143.974%0.74383%0.826SS**  trans60.4116.7160.6-42.1-48000118.4
990H26.1Very low29.4Very low178 Ų178141.2 Ų141.282%0.82483%0.826SS**  63.6100.155.3-86.3-125.8000116.3
991F28.7Very low29.4Very low214 Ų214137 Ų13794%0.93982%0.823SS**  trans-158169.9136.8-102.3-68000110.5
992S31.2Very low29.1Very low124 Ų124140.6 Ų140.687%0.86782%0.823SS**  trans66.764.7174.1-580000117.7
993A30.3Very low29.1Very low102 Ų102140.3 Ų140.384%0.84382%0.822SS**PPolyproline II helixtrans-102.3122.8149.500000108.7
994S31.7Very low29Very low123 Ų123135.2 Ų135.286%0.8682%0.819SS**PPolyproline II helixtrans-86.9142.2177.945.30000111.8
995E28.6Very low28.9Very low188 Ų188139.2 Ų139.288%0.87982%0.822SS**PPolyproline II helixtrans-79.9128.3-171.2-60.7175.9110.600112.6
996C29.6Very low28.7Very low136 Ų136138 Ų13892%0.91982%0.824SS**  trans-114.6112.8156.4-112.60000108.2
997S27.7Very low29.7Very low99 Ų99138 Ų13869%0.69283%0.826SS**  trans-107.6122.2-162.9-169.10000112.6
998S32Very low29.8Very low123 Ų123140.3 Ų140.386%0.8683%0.829SS**  trans-143.6126.316356.70000109.4
999Q28.4Very low29.6Very low188 Ų188144.9 Ų144.988%0.87984%0.84SS**  trans-103.6133.5-166-67.1-178.4-15.400113
1000G28.4Very low29.6Very low84 Ų84144 Ų14487%0.86684%0.84SS**  trans161.6131.2166.100000112.2
1001G28.3Very low29.7Very low77 Ų77146.4 Ų146.479%0.79484%0.841SS**  cis-174.452.8200000114.4
1002F25.9Very low29.4Very low196 Ų196144.2 Ų144.286%0.8683%0.834SS**  trans26104.2158.5-96.5-71.6000119.2
1003K28.5Very low29.2Very low179 Ų179144.9 Ų144.978%0.77884%0.837SS**  166.3128.9102-94.3155.7-175.7167.40114.4
1004T27.3Very low28.9Very low140 Ų140147.2 Ų147.286%0.85984%0.836SS**  trans-63.5147.3149.1420000110.4
1005K29.7Very low28.7Very low200 Ų200145.9 Ų145.987%0.8783%0.826SS**  trans-123142.6162.7-83.6-169.7175.81800109.8
1006G25.8Very low28.4Very low71 Ų71146 Ų14673%0.73283%0.826SS**  trans-78-175.5-177.200000114.6
1007P49.2Very low28.4Very low130 Ų130145.3 Ų145.384%0.84482%0.823SS**  trans-82.1162.7-166.634.4-37.6000113.7
1008L30.9Very low28.4Very low165 Ų165149.9 Ų149.986%0.86483%0.831SS**  trans-140.7135.5163-111.1161.5000109.8
1009H23.8Very low28Very low186 Ų186148.9 Ų148.986%0.86182%0.824SS**  trans-137.694.8-165.8-172.874.6000110.3
1010T29.7Very low28.2Very low121 Ų121147.8 Ų147.874%0.74282%0.824SS**  trans-160.9143.1-176.140.80000109.7
1011R27.3Very low28Very low228 Ų228150.9 Ų150.986%0.8682%0.82SS**  cis-159.5171-17.1-155.8176.9-177.1-176.41.8107.5
1012Q23.4Very low28.2Very low169 Ų169154.9 Ų154.979%0.7982%0.822SS**  trans-60.4138.9-178.2-60.6157.4-63.700114
1013C27.3Very low28.8Very low137 Ų137150.9 Ų150.993%0.92682%0.815SS**  trans-122.3152.7141.1-75.40000108.3
1014N23.8Very low29Very low152 Ų152149.1 Ų149.181%0.81382%0.819SS**  trans-147.6169.4-168.5-164.27.8000110.7
1015S26.7Very low29.1Very low95 Ų95148.3 Ų148.366%0.66482%0.815SS**  trans80.3116.6173740000119.6
1016H23.8Very low29.9Very low189 Ų189144.7 Ų144.788%0.87581%0.812SS**  trans25.5130.7140.1-55-63.6000123
1017S29.7Very low30.2Very low123 Ų123150.9 Ų150.986%0.8682%0.821SS**  -156.5169.1104.845.20000110.6
1018K25.8Very low29.1Very low195 Ų195153.7 Ų153.785%0.84882%0.82SS**  trans-107.1156.5-179.9-67.5-178.5175179.80110.9
1019S25.2Very low28.9Very low102 Ų102151 Ų15171%0.71381%0.814SS**  trans35.5127.4143.262.40000120.2
1020D30.9Very low30.2Very low164 Ų164148.2 Ų148.288%0.87781%0.812SS**  -148.7154.9128.3-114.3-33.5000112.3
1021N25.6Very low30.2Very low149 Ų149148.2 Ų148.280%0.79782%0.817SS**  trans-104.3134.4-179.2-67.4-62.4000111.1
1022I32.6Very low30.3Very low162 Ų162142.8 Ų142.883%0.83181%0.814SS**  trans-138.1122.3153.5-56.8-177.5000108.8
1023P37.6Very low30.5Very low111 Ų111141.1 Ų141.172%0.72182%0.816SS**  trans-92.6154.6179.236.2-34.1000112.7
1024V33.5Very low30.7Very low142 Ų142138.1 Ų138.186%0.86181%0.809SS**  trans-133.6112.1163-177.80000108.8
1025T29.1Very low30.9Very low124 Ų124140.4 Ų140.476%0.76181%0.812SS**  trans-98.3161.4176.7210000111.6
1026P46.6Very low30.9Very low124 Ų124144.6 Ų144.681%0.80582%0.82SS**  trans-90.6157.6-15034.5-38000115.6
1027Q32Very low31.1Very low200 Ų200142.2 Ų142.294%0.93581%0.813SS**  trans-109156.6165.7-145.1167.55.300110.1
1028K24.9Very low31Very low189 Ų189144.6 Ų144.682%0.82281%0.81SS**  trans-141.3151.3-156.6-157.5-172.1-178.9-178.80112.4
1029C27.4Very low31.1Very low110 Ų110143.8 Ų143.874%0.74381%0.809SS**  trans70.3163.2170.5-56.70000116.6
1030P51.6Low31.3Very low126 Ų126146.1 Ų146.182%0.81881%0.814SS**  cis-119.6169.5-9.228.1-8.2000114.5
1031S28.9Very low31.1Very low121 Ų121147.5 Ų147.585%0.84682%0.815SS**PPolyproline II helixtrans-75.2138171.742.60000112.7
1032S29.7Very low31.2Very low114 Ų114149.1 Ų149.180%0.79782%0.818SS**PPolyproline II helixtrans-89.2149.9172.753.80000112.4G1034S1032-G1034 PolarHBondContact O-N 2.95Å
1033T28.4Very low31Very low134 Ų134146.2 Ų146.282%0.82281%0.812SS**PPolyproline II helixtrans-57.1123.6174.545.10000112.8
1034G30.7Very low30.5Very low75 Ų75150.1 Ų150.177%0.77382%0.82SS**PPolyproline II helixtrans-82.2150.5166.400000111.8S1032S1032-G1034 PolarHBondContact O-N 2.95Å
1035F28.8Very low30.3Very low200 Ų200154.2 Ų154.288%0.87782%0.822SS**PPolyproline II helixtrans-79.7143.2-178.3-92.1-113.3000112.5
1036H25.7Very low30.3Very low182 Ų182156.7 Ų156.784%0.84383%0.825SS**PPolyproline II helixtrans-78120.5164.7-136.1-64.8000108.2
1037I29.4Very low29.5Very low140 Ų140156.3 Ų156.372%0.71883%0.825SS**  trans-116.9144.7162.9-65.7-179000106.8E1039I1037-E1039 HydrophobicContact CG2-CG 4.49Å
1038Q26.8Very low29.3Very low172 Ų172154.9 Ų154.980%0.80482%0.818SS**  trans-122.297.5-166.5-178.1177.54.600108
1039E27.3Very low29.4Very low179 Ų179157.7 Ų157.784%0.83682%0.824SS**  trans-97.8139.1173.2-64.9-171.4139.400109.2I1037I1037-E1039 HydrophobicContact CG2-CG 4.49Å
1040N29.1Very low29.4Very low150 Ų150162.9 Ų162.980%0.80283%0.828SS**  trans-78126.1-178.4-72.9-24.4000110.1E1042N1040-E1042 PolarHBondContact O-N 3.2Å
1041E27.8Very low28.2Very low194 Ų194162.6 Ų162.691%0.90782%0.823SS**  trans-74.6106.7164.6-66.1-177.7127.200109.3S1043E1041-S1043 PolarHBondContact O-N 3.32Å
1042E27.6Very low28.3Very low182 Ų182161.9 Ų161.985%0.8581%0.814SS**  trans-69.9107.9166.3-74-168.6122.900109.2N1040 H1044N1040-E1042 PolarHBondContact O-N 3.2Å; E1042-H1044 PolarHBondContact O-N 3.36Å; E1042-H1044 VanDerWaalsContact O-N 3.09Å
1043S28.3Very low28.1Very low102 Ų102165.5 Ų165.571%0.71382%0.816SS**  trans-64.9109.6-178.158.80000111.5E1041 Y1045E1041-S1043 PolarHBondContact O-N 3.32Å; S1043-Y1045 PolarHBondContact O-N 2.89Å
1044H27.7Very low28.2Very low192 Ų192167.7 Ų167.789%0.88982%0.817SS**  trans-57.9127.5176.1-105.1-104.8000111.9E1042 E1046E1042-H1044 PolarHBondContact O-N 3.36Å; E1042-H1044 VanDerWaalsContact O-N 3.09Å; H1044-E1046 PolarHBondContact O-N 3.41Å
1045Y28.4Very low28.1Very low229 Ų229171.4 Ų171.490%0.89882%0.818SS**  trans-75.5106171.3-91.1-101.1000110.5S1043S1043-Y1045 PolarHBondContact O-N 2.89Å
1046E29.7Very low28.4Very low175 Ų175167.8 Ų167.882%0.81881%0.814SS**  trans-107.2120.3169.6-166.6167.3-125.300111.2H1044 Q1048H1044-E1046 PolarHBondContact O-N 3.41Å; E1046-Q1048 PolarHBondContact O-N 2.87Å; E1046-Q1048 VanDerWaalsContact O-N 3.13Å
1047S29.3Very low28.5Very low116 Ų116167.3 Ų167.381%0.81182%0.818SS**  trans-90.478-162.360.30000113.7R1049S1047-R1049 PolarHBondContact O-N 2.89Å; S1047-R1049 VanDerWaalsContact O-N 3.07Å
1048Q28.6Very low28.4Very low171 Ų171164.2 Ų164.280%0.79982%0.821SS**  trans-69.1102174.6-67.1-168.1-0.300112.4E1046 R1050E1046-Q1048 PolarHBondContact O-N 2.87Å; E1046-Q1048 VanDerWaalsContact O-N 3.13Å; Q1048-R1050 PolarHBondContact O-N 3.35Å
1049R26.6Very low28.6Very low247 Ų247162.1 Ų162.193%0.93283%0.825SS**  trans-68.388.8168.1-86.3-176.8164.8-178.6-3.5111S1047S1047-R1049 PolarHBondContact O-N 2.89Å; S1047-R1049 VanDerWaalsContact O-N 3.07Å
1050R27.1Very low28.8Very low219 Ų219162.6 Ų162.683%0.82683%0.827SS**  trans-87.4106.1172.4-166.8174.8-172.7177.92.2111.1Q1048 T1052Q1048-R1050 PolarHBondContact O-N 3.35Å; R1050-T1052 PolarHBondContact O-N 2.93Å
1051V26.3Very low28.7Very low120 Ų120164.9 Ų164.973%0.72783%0.833SS**  trans-70.1122.9170.7179.20000108.8F1053V1051-F1053 HydrophobicContact CG1-CE2 4.42Å
1052T30.6Very low28.9Very low107 Ų107160.9 Ų160.966%0.65683%0.827SS**  trans-105.9126.9-178.46.70000110.2R1050R1050-T1052 PolarHBondContact O-N 2.93Å
1053F26.6Very low28.8Very low189 Ų189158.7 Ų158.783%0.82983%0.83SS**  trans-90.7124.8171.1-72.7-94000109V1051V1051-F1053 HydrophobicContact CG1-CE2 4.42Å
1054H29.2Very low29.1Very low181 Ų181159.8 Ų159.884%0.83884%0.838SS**  trans-79.6121174.8-73.2-83.9000110.5
1055L28.4Very low29.1Very low153 Ų153157.7 Ų157.780%0.80183%0.833SS**  trans-113148158.5-83.1151.6000107.6
1056P34.9Very low29.1Very low124 Ų124151.6 Ų151.681%0.80582%0.824SS**  trans-83.2126.8-168.7-10.328.7000112.8
1057D28.2Very low29.1Very low171 Ų171147.2 Ų147.291%0.91483%0.825SS**  trans-66.7141.9168.5-61.1-62.6000111.2
1058G27.9Very low29.1Very low76 Ų76150.6 Ų150.678%0.78483%0.833SS**  trans-161.77-164.600000121.4
1059S29.9Very low29.1Very low127 Ų127145.4 Ų145.489%0.88883%0.826SS**  trans-167.3147.6160.640.50000111.7
1060Q31.8Very low29.1Very low190 Ų190140.5 Ų140.589%0.88882%0.818SS**  trans-105.7132.7-167.4-68.1175.9-29.100112.6
1061E26.8Very low29Very low197 Ų197138.1 Ų138.192%0.92182%0.816SS**  trans-68.1134.4158.7-63.2-175.313700109.3
1062S31.9Very low29.3Very low110 Ų110140.6 Ų140.677%0.76982%0.82SS**  trans-131.498.9174.3440000110.3
1063C27Very low30.1Very low137 Ų137140.3 Ų140.393%0.92682%0.82SS**  trans-65.4139.2167.4-56.10000109.7
1064S33.1Very low30.3Very low125 Ų125138.5 Ų138.587%0.87482%0.824SS**  trans-137.8147.8163.347.30000109.4
1065D28.1Very low30.2Very low148 Ų148132.6 Ų132.679%0.79181%0.812SS**  trans-120.5164.4-161-175.328.2000111.8
1066S28.8Very low30.2Very low101 Ų101131.8 Ų131.871%0.70682%0.819SS**  trans10.3124166.758.90000120.1
1067G30.8Very low30Very low82 Ų82129.7 Ų129.785%0.84582%0.82SS**  trans-150.287.7168.900000112.5
1068L28.2Very low29.9Very low187 Ų187127.5 Ų127.598%0.97981%0.813SS**  trans-104.8141.3171.4-88.8165.3000111
1069G28.6Very low30.1Very low62 Ų62131.2 Ų131.264%0.63981%0.814SS**  trans152143.516800000110.2
1070D27Very low30Very low144 Ų144132.2 Ų132.277%0.7781%0.808SS**  cis143.9118.9-7.6-101.3-18.1000105.3
1071H25.8Very low29.8Very low169 Ų169128.4 Ų128.478%0.78280%0.802SS**  trans64.9158.9158-73.1-98.4000117.7
1072E31.2Very low30Very low172 Ų172127.9 Ų127.980%0.80480%0.799SS**  cis-138.31706-106.1-131.411800112.3
1073P47.2Very low30Very low101 Ų101127.7 Ų127.766%0.65680%0.795SS**  trans-106.3153-173.339.1-32.5000116.4
1074V32Very low30.1Very low152 Ų152129.2 Ų129.292%0.92179%0.793SS**  trans-145.8137.8163.9-173.80000108.8
1075G27.6Very low30.4Very low56 Ų56128.4 Ų128.458%0.57779%0.785SS**  cis166.3123.7-9.600000112.9
1076S26.7Very low30.3Very low137 Ų137129.7 Ų129.796%0.95879%0.791SS**  trans61.3131.6167.359.50000120.2
1077G31Very low30.2Very low80 Ų80131.5 Ų131.583%0.82580%0.798SS**  trans173.376.3176.400000114
1078T27.2Very low30.1Very low125 Ų125135.5 Ų135.577%0.76779%0.794SS**  trans-86.2134.4-167.2-37.30000114
1079L31.2Very low30.2Very low153 Ų153132.7 Ų132.780%0.80179%0.787SS**  168.4116.5121-89163.5000116.2
1080I27.3Very low30.2Very low149 Ų149137 Ų13776%0.76479%0.791SS**  trans-17.3123.9153.8-53.4156.8000117.3
1081S28.2Very low30.2Very low109 Ų109135.8 Ų135.876%0.76278%0.784SS**  176.5121.8107.7660000115.4
1082H30.5Very low30.2Very low186 Ų186135.6 Ų135.686%0.86178%0.784SS**  trans11.2149.4161.8-76.3-83.4000125.2
1083P33.4Very low29.9Very low107 Ų107134.5 Ų134.570%0.69578%0.776SS**  trans-102.7172.9-177.342.4-37.2000114.7
1084L29.2Very low29Very low168 Ų168139.2 Ų139.288%0.8878%0.783SS**  -166.3149.1121.9-98.1162.3000109.6
1085P38.6Very low28.9Very low109 Ų109138.6 Ų138.671%0.70877%0.774SS**  trans-103.3145.5-162.937.9-34.3000115.3
1086L25Very low28.9Very low175 Ų175145.4 Ų145.492%0.91679%0.791SS**  trans-169.7117.2158.3-114.5156000109.6
1087V28.7Very low29Very low139 Ų139143.4 Ų143.484%0.84278%0.782SS**  trans178.2149.4152.8139.30000109
1088Q27.9Very low29.4Very low166 Ų166145.7 Ų145.778%0.77679%0.786SS**  trans-85.8144.5179.2-62.4145.8-91.800111.3
1089P30.3Very low29.8Very low127 Ų127145.4 Ų145.483%0.82579%0.786SS**  trans-83.1134.4163.633.3-30.4000110.4
1090Q27.7Very low29.7Very low154 Ų154143.7 Ų143.772%0.7278%0.778SS**  trans-139.7142.7163.1-112-172.4-95.400110.2
1091D27.7Very low29.8Very low117 Ų117144.4 Ų144.463%0.62678%0.775SS**  trans67.9101.8150.3-49.5-18.9000120.4
1092E26.2Very low29.8Very low166 Ų166148.4 Ų148.478%0.77677%0.774SS**  97.2134.4119.1-76.6-163.8153.900123.2
1093F25.1Very low30.1Very low148 Ų148144.5 Ų144.565%0.64976%0.763SS**  trans54.8111.1150.9-85.1-97.9000121.1
1094Y27.5Very low29.9Very low201 Ų201146.6 Ų146.679%0.78876%0.764SS**  -170.3175.287.8-111.1-75.4000113.4
1095D29.3Very low29.9Very low139 Ų139142.9 Ų142.974%0.74376%0.757SS**  trans-67.1160-163.7-69.5-74000118.3
1096Q28.5Very low29.8Very low199 Ų199145.5 Ų145.593%0.9377%0.765SS**  trans-79.9133.6172.4-63.4174.9-25.100111.9
1097A28.1Very low29.9Very low94 Ų94140.2 Ų140.278%0.77775%0.753SS**  trans-140.5139.6166.900000111
1098S40.3Very low30Very low128 Ų128140.7 Ų140.790%0.89575%0.751SS**  trans-80.4144.5-166.8-47.50000115.2
1099P35.3Very low30.2Very low119 Ų119137.1 Ų137.177%0.77374%0.744SS**  trans-135.9152.9145.632.9-17.4000112.9
1100D28.5Very low30.2Very low118 Ų118138.2 Ų138.263%0.63174%0.743SS**  cis-176.4167.9-10.6-162.13.7000110.2
1101K29.8Very low31.2Very low163 Ų163136.3 Ų136.371%0.70974%0.744SS**  trans67.1153163.9-61.7141.3-177.71210117.1
1102R28Very low31.2Very low193 Ų193137.9 Ų137.973%0.72875%0.752SS**  cis-158.1169.6-6.4-122.8-178.8157.6152.3-6.1107.2E1104R1102-E1104 IonicContact NE-OE1 2.82Å; R1102-E1104 IonicContact NH2-OE1 3.98Å
1103T36.5Very low31.6Very low104 Ų104135.9 Ų135.964%0.63876%0.756SS**  cis-155.6167.723-24.60000111.8
1104E29.8Very low31.7Very low152 Ų152136.6 Ų136.671%0.7177%0.767SS**  trans-39.2150.2157.8-54.4109.7-131.100114R1102R1102-E1104 IonicContact NE-OE1 2.82Å; R1102-E1104 IonicContact NH2-OE1 3.98Å
1105A30Very low32Very low89 Ų89130.5 Ų130.574%0.73677%0.765SS**  cis-152-160.9-5.100000107.7
1106D34.8Very low32.4Very low165 Ų165129.6 Ų129.688%0.88277%0.767SS**  cis-161.9176.95.3-143.213000107.9
1107G28.3Very low32.2Very low63 Ų63128.4 Ų128.465%0.64977%0.766SS**  cis177.6-26.60.400000118.1
1108N31.3Very low32.2Very low150 Ų150127.5 Ų127.580%0.80277%0.766SS**  trans-124.9108.8-161.3-169.542.4000118.4
1109S31.3Very low32.4Very low90 Ų90127.7 Ų127.763%0.62976%0.764SS**  trans35.9123.3136.1-33.40000124.4
1110D29.6Very low31.9Very low150 Ų150134 Ų13480%0.80277%0.773SS**  trans62.6161.5130.3-85.53000123.2
1111P49.2Very low32Very low115 Ų115132.1 Ų132.175%0.74778%0.781SS**  cis-129.7179.6-632.2-11.4000116
1112N27.7Very low31.9Very low150 Ų150132 Ų13280%0.80279%0.787SS**  trans-59.8158.2177.8-56.1-62.8000116.4
1113S35.5Very low32.1Very low123 Ų123127.7 Ų127.786%0.8679%0.793SS**  trans-144.9102.4159179.50000111.6
1114D27.5Very low31.7Very low164 Ų164130.7 Ų130.788%0.87780%0.8SS**  trans-72.3148168.6-84.9-60.1000112.1
1115G32.6Very low31.8Very low73 Ų73128.4 Ų128.475%0.75381%0.807SS**  trans170.8104.1173.800000115.1
1116P39.2Very low31.8Very low119 Ų119129.6 Ų129.677%0.77381%0.805SS**  trans-107.8161-171.438.9-34.8000116.7
1117L24.3Very low31.8Very low174 Ų174131.3 Ų131.391%0.91181%0.808SS**  trans79.784.4154.2-71.3162.6000121.9
1118G27.5Very low32.1Very low76 Ų76136.1 Ų136.178%0.78482%0.815SS**  trans90.1177.8130.200000119.1
1119P43.4Very low32.2Very low131 Ų131134.3 Ų134.385%0.85181%0.813SS**  cis-113.7-178.3-540.8-29.3000113.9
1120R26.2Very low32.7Very low252 Ų252135 Ų13595%0.95181%0.814SS**PPolyproline II helixtrans-71.7128.2178.4-73.5174.4167.9160.2-6.1112.6
1121G30.1Very low33.4Very low79 Ų79135.7 Ų135.781%0.81481%0.812SS**PPolyproline II helixtrans-85.8145.2158.200000111.3
1122L28.5Very low33.1Very low160 Ų160138 Ų13884%0.83881%0.813SS**PPolyproline II helixtrans-96.7142.4178.7-161.972.2000109.9
1123A31.2Very low33.7Very low102 Ų102135.8 Ų135.884%0.84381%0.808SS**  trans-95.3111175.600000110.2
1124E28Very low34.1Very low168 Ų168137 Ų13779%0.78580%0.804SS**  trans-103.8124.9170.2-67.9-175.7133.300109.7
1125A31.7Very low35.1Very low103 Ų103134.9 Ų134.985%0.85180%0.797SS**  trans-136.187.8170.500000107.9
1126T29.8Very low35.2Very low114 Ų114137 Ų13770%0.69979%0.79SS**  trans-97.5100.6-173.2520000111.4M1128T1126-M1128 PolarHBondContact O-N 2.87Å
1127E34.7Very low35Very low202 Ų202134.7 Ų134.794%0.94479%0.788SS**  trans-79.6110.2162.8-74.9-168.3127.800109.7
1128M35.7Very low35.4Very low164 Ų164131.9 Ų131.981%0.80877%0.77SS**PPolyproline II helixtrans-91.4126.6178.4-73.9177.656.300110.8T1126T1126-M1128 PolarHBondContact O-N 2.87Å
1129C33.4Very low36Very low112 Ų112133.4 Ų133.476%0.75777%0.769SS**PPolyproline II helixtrans-60.6142.2174.5-1670000111.4
1130T40.6Very low35.6Very low105 Ų105134.8 Ų134.864%0.64477%0.769SS**PPolyproline II helixtrans-82.3161-166.449.40000114.1E1132T1130-E1132 PolarHBondContact O-N 3.24Å
1131Q45.1Very low35.9Very low164 Ų164129.8 Ų129.877%0.76676%0.762SS**G310 helixtrans-75.5-0.1-158.3-157.1163.2-16.200115.5
1132E41.8Very low35.9Very low162 Ų162132.3 Ų132.376%0.75777%0.765SS**G310 helixtrans-71.8-30.3178.1-60.2-163.3140.200112.7T1130 L1134 V1135T1130-E1132 PolarHBondContact O-N 3.24Å; E1132-L1134 PolarHBondContact O-N 2.88Å; E1132-V1135 PolarHBondContact O-N 3.44Å; E1132-V1135 VanDerWaalsContact O-N 3.15Å
1133C41.3Very low35.7Very low104 Ų104136.7 Ų136.770%0.70377%0.771SS**G310 helixtrans-62.2-11.7177.8-67.80000114.5
1134L44.7Very low35.5Very low149 Ų149140 Ų14078%0.7877%0.771SS**G310 helixtrans-94.9-10.9178.4-80166.9000114.6E1132E1132-L1134 PolarHBondContact O-N 2.88Å
1135V47.9Very low35.7Very low120 Ų120137.7 Ų137.773%0.72777%0.77SS**THydrogen-bonded Turntrans-99-34.6-174.2-176.40000112.5E1132 G1137E1132-V1135 PolarHBondContact O-N 3.44Å; E1132-V1135 VanDerWaalsContact O-N 3.15Å; V1135-G1137 PolarHBondContact O-N 3.42Å
1136L35Very low35.8Very low117 Ų117139 Ų13961%0.61377%0.77SS**SBendtrans-101.565-178.6-65.5178.4000111.6P930 H1138P930-L1136 HydrophobicContact CG-CD2 4.26Å; L1136-H1138 PolarHBondContact O-N 3.45Å
1137G34.7Very low35.7Very low71 Ų71137.1 Ų137.173%0.73277%0.773SS**  trans-62.5105.8-177.600000113.6V1135V1135-G1137 PolarHBondContact O-N 3.42Å
1138H32.3Very low35.6Very low114 Ų114136.2 Ų136.253%0.52877%0.774SS.*  trans-88.7106.6165.4-83.9-72.7000110K929 L1136 D1140K929-H1138 WeakPolarHBondContact CE-CE1 3.42Å; K929-H1138 WeakPolarHBondContact CE-NE2 2.9Å; L1136-H1138 PolarHBondContact O-N 3.45Å; H1138-D1140 PolarHBondContact O-N 3.45Å
1139S39.5Very low35.5Very low108 Ų108131.6 Ų131.676%0.75577%0.768SS**  trans-82.897.1177.258.70000110.9N1141S1139-N1141 PolarHBondContact O-N 3.49Å
1140D36.5Very low35.5Very low160 Ų160132.3 Ų132.386%0.85677%0.772SS**  trans-67.996173.8-72.6-36.6000110.8H1138H1138-D1140 PolarHBondContact O-N 3.45Å
1141N32Very low35Very low148 Ų148138.7 Ų138.779%0.79179%0.785SS**  trans-146.766.7-177.6-125.6-21.5000111.3S1139S1139-N1141 PolarHBondContact O-N 3.49Å
1142C29Very low34.2Very low132 Ų132139.4 Ų139.489%0.89279%0.789SS**  trans-114.7118.4167.3-107.90000109.8
1143W25.8Very low33.6Very low252 Ų252140.7 Ų140.796%0.95579%0.794SS**  trans-54.4138.3-177.1-83.7-18.2000114.5
1144M27.1Very low33.2Very low171 Ų171141.7 Ų141.784%0.84280%0.799SS**  trans-106144.5139.3-74-17765.100109.2
1145P30.9Very low32.4Very low120 Ų120144 Ų14478%0.77980%0.803SS**  trans-74.6147.2-172.629.7-35.3000112.9
1146P33.3Very low31.6Very low131 Ų131143.3 Ų143.385%0.85180%0.804SS**  trans-93.4150.7-168.935.5-36.2000115
1147G29.5Very low31.5Very low73 Ų73143.6 Ų143.675%0.75381%0.813SS**  trans104.384.8134.100000119.1
1148L31.6Very low31Very low184 Ų184147.5 Ų147.596%0.96382%0.816SS**  trans-128.5130.9138.4-85.1173.7000108.6
1149G32.6Very low30.7Very low67 Ų67147.6 Ų147.669%0.69183%0.83SS**PPolyproline II helixtrans-84163.2-165.600000115.3
1150P34.8Very low30.3Very low127 Ų127148.6 Ų148.683%0.82583%0.831SS**PPolyproline II helixtrans-79.7143-173.732.6-35.6000113.1
1151Y29.3Very low29.8Very low239 Ų239151 Ų15194%0.93783%0.834SS**PPolyproline II helixtrans-99.1132.7165.9-107.9-99.9000110.7
1152Q29.4Very low29.7Very low178 Ų178148.6 Ų148.683%0.83284%0.835SS**PPolyproline II helixtrans-84.9152-174.9-67.9178.5-37.400112.8P1154Q1152-P1154 VanDerWaalsContact O-CD 3.31Å; Q1152-P1154 WeakPolarHBondContact O-CD 3.32Å
1153H29.2Very low30.3Very low190 Ų190147.6 Ų147.688%0.8883%0.827SS**PPolyproline II helixtrans-62124.5170-75-94.7000112.4
1154P32.9Very low30.2Very low124 Ų124144.4 Ų144.481%0.80582%0.823SS**PPolyproline II helixtrans-85.2138.7159.9-3.223.6000110Q1152Q1152-P1154 VanDerWaalsContact O-CD 3.31Å; Q1152-P1154 WeakPolarHBondContact O-CD 3.32Å
1155K27.6Very low30.3Very low197 Ų197145.4 Ų145.486%0.85782%0.822SS**PPolyproline II helixtrans-85.5155172.4-70.4-177178.4179.70111.6
1156S29.5Very low30Very low107 Ų107148.2 Ų148.275%0.74883%0.825SS**PPolyproline II helixtrans-55.7145.5171.453.90000114.1
1157P34.3Very low29.6Very low122 Ų122153.2 Ų153.279%0.79283%0.827SS**  -126.8163.6129.636.6-29.4000113.1
1158L24.8Very low29.5Very low154 Ų154156.5 Ų156.581%0.80683%0.832SS**  trans-89.5167.6-177-92.171.7000113.5
1159S25.8Very low29.3Very low116 Ų116156.3 Ų156.381%0.81182%0.824SS**  trans73.5142161.979.10000115.8
1160T30.1Very low29.1Very low129 Ų129162.9 Ų162.979%0.79183%0.833SS**  cis-148.715624.6-66.40000111.7
1161F25.7Very low28.7Very low210 Ų210163.3 Ų163.392%0.92183%0.828SS**  trans-74.6136.6175-86.1-113000113.8
1162A31.4Very low28.6Very low97 Ų97159.5 Ų159.580%0.80282%0.817SS**  trans-155.9150.6152.900000110.1
1163P40.5Very low28.4Very low111 Ų111157.5 Ų157.572%0.72181%0.811SS**  trans-110161.6-152.240-35.4000117.7
1164Q24.8Very low28.4Very low186 Ų186155.4 Ų155.487%0.86981%0.811SS**  trans44.5124.6147.2-68.6174.7-6700121.1
1165K27.7Very low28.2Very low192 Ų192156.3 Ų156.384%0.83581%0.809SS**  trans-148144.9134.7-119.4174-174.9178.40111.8
1166E24.7Very low28.3Very low178 Ų178150.3 Ų150.383%0.83280%0.803SS**  trans-68.3148.2-169.3-60.8138.1103.100113.6
1167W24.7Very low28.3Very low237 Ų237154.6 Ų154.690%0.89881%0.811SS**  trans-126.9100.9170.9-88.252.7000110K1169W1167-K1169 PolarHBondContact O-N 3.23Å
1168V27.3Very low27.9Very low141 Ų141155 Ų15586%0.85581%0.812SS**  trans-73.8123.3173178.50000109.7
1169K29Very low27.9Very low181 Ų181155.9 Ų155.979%0.78782%0.816SS**  trans-104.4119165.2-76179.8178.8175.10107.9W1167W1167-K1169 PolarHBondContact O-N 3.23Å
1170K27.3Very low28.2Very low204 Ų204156.8 Ų156.889%0.88782%0.817SS**  72.1118.278.6-99.3-166.9172.3-172.70112.6
1171D26.2Very low28Very low137 Ų137161.8 Ų161.873%0.73382%0.821SS**  trans-142.3161.6-178.1-176.423.4000109.7
1172K28.4Very low28.3Very low159 Ų159156.4 Ų156.469%0.69182%0.816SS**  trans77.7112.3166-52-154.9175.8-179.80121.7
1173L24.7Very low28Very low135 Ų135163.7 Ų163.771%0.70782%0.823SS**  trans59.1120130.4-77.5115000122
1174V30Very low27.3Very low146 Ų146166.5 Ų166.589%0.88582%0.824SS**  trans-138134.7137.4178.80000108.1
1175N28.2Very low27.4Very low144 Ų144167 Ų16777%0.7783%0.826SS**  trans-99.6145.1172.6-75.9-19.6000110.6
1176G29Very low27.5Very low71 Ų71164 Ų16473%0.73282%0.819SS**  trans-156.3111.3178.300000113.1
1177H29.1Very low27.8Very low196 Ų196161.6 Ų161.691%0.90782%0.822SS**  trans-58.3152.6-171.4-68.8-97000116.1
1178T27.4Very low27.9Very low131 Ų131156.9 Ų156.980%0.80481%0.814SS**  trans-119.9143.9161.2-35.30000109.6
1179L25Very low27.9Very low173 Ų173160.7 Ų160.791%0.90681%0.813SS**  trans-119.4121-179.9-91.9162.1000110.2
1180T31.2Very low28.1Very low134 Ų134159.9 Ų159.982%0.82282%0.818SS**  trans-129.7138.1173.544.70000110.9
1181R25.9Very low28.3Very low234 Ų234159 Ų15988%0.88382%0.817SS**  trans-111.397.6-165-177.1-178-176.6-179.51110.1
1182A32.3Very low28.4Very low98 Ų98161.6 Ų161.681%0.8182%0.822SS**  trans-69.7144.8177.400000111.8
1183W25.4Very low28.3Very low250 Ų250159.7 Ų159.795%0.94782%0.819SS**  trans-84.4164.5174.1-84.868.3000111.7
1184K24.5Very low28.5Very low170 Ų170159.2 Ų159.274%0.73982%0.817SS**  trans-135.3124.3-172.1179.1-159.9173.7-160.80108.9D1186K1184-D1186 IonicContact NZ-OD1 2.68Å
1185E28.8Very low28.3Very low195 Ų195162.2 Ų162.291%0.91181%0.813SS**  trans-147.9151166.5-143.6157.7-13800109.7
1186D28.4Very low28.3Very low130 Ų130165.3 Ų165.370%0.69582%0.819SS**  trans-97.7123.7-150.2-62.3-59.6000114.5K1184K1184-D1186 IonicContact NZ-OD1 2.68Å
1187S31.1Very low28.3Very low127 Ų127170.1 Ų170.189%0.88882%0.823SS**  trans-84.1110.3169.358.40000111.1
1188N27.7Very low28.2Very low139 Ų139171.4 Ų171.474%0.74382%0.821SS**  trans-103127.6-170.4-160.7-10.8000112.5
1189R26.5Very low28.3Very low220 Ų220169 Ų16983%0.8382%0.823SS**  trans40.5113.8164-77.9172.9164.4177.5-4.3119.1
1190N33.7Very low28.4Very low165 Ų165165.7 Ų165.788%0.88281%0.814SS**  -160.796.8119.1-100.2-25.6000111.9
1191Q30.4Very low28.2Very low186 Ų186165.2 Ų165.287%0.86981%0.806SS**  trans-132.5112163.4-84.1-173.3-18.200107.5
1192F28.6Very low28.2Very low190 Ų190162.5 Ų162.583%0.83380%0.804SS**  trans-149.7128.3171.6-115.2-89.7000111.4
1193N27.6Very low27.9Very low119 Ų119161.2 Ų161.264%0.63680%0.8SS**  trans58.9105.2154-7028.5000122.3
1194D27.2Very low28Very low125 Ų125158.4 Ų158.467%0.66880%0.797SS**  96.8137108.6-79.9-48.2000123.4
1195R25.9Very low28.1Very low210 Ų210160 Ų16079%0.79281%0.805SS**  trans51.884.8144.3-66.9177.6170.3-173.8-4.6118.5Q1197R1195-Q1197 PolarHBondContact O-N 3.16Å
1196K29.4Very low28Very low208 Ų208157.2 Ų157.290%0.90480%0.796SS**  trans-71103.3135.4-75.9-173.4175.3-177.70108.9
1197Q27.9Very low27.8Very low172 Ų172159 Ų15980%0.80481%0.805SS**PPolyproline II helixtrans-84.9127172.8-172.4167.5-12.800109R1195 G1199R1195-Q1197 PolarHBondContact O-N 3.16Å; Q1197-G1199 PolarHBondContact O-N 2.68Å
1198Y26.8Very low27.6Very low223 Ų223156.4 Ų156.488%0.87580%0.799SS**PPolyproline II helixtrans-69.7116.9178-83.6-99.6000110.3
1199G29.3Very low27.5Very low81 Ų81154.8 Ų154.884%0.83580%0.798SS**PPolyproline II helixtrans-90.9130.9159.600000109.1Q1197Q1197-G1199 PolarHBondContact O-N 2.68Å
1200S28Very low27.5Very low104 Ų104152.8 Ų152.873%0.72780%0.798SS**  trans-115.8159.2-172.657.60000112.8
1201N26.4Very low27.2Very low123 Ų123153.4 Ų153.466%0.65880%0.798SS**  trans84.4137.5162.6-71.734.6000119.9
1202E26Very low27.2Very low177 Ų177151.8 Ų151.883%0.82780%0.801SS**  trans64.2134.5146.2-66.8153.2-127.400118.9
1203G26.7Very low27.2Very low72 Ų72149.6 Ų149.674%0.74280%0.798SS**  cis-179.8158.1-5.100000111.4
1204H26.6Very low27.3Very low190 Ų190151.1 Ų151.188%0.8880%0.804SS**  trans-66.4140.3170.6-72.5-8.6000111
1205F26.7Very low27.9Very low205 Ų205151 Ų15190%0.89981%0.81SS**  trans-159.8149.5133.8-117.8-74.7000112.4
1206N26.4Very low28.1Very low135 Ų135149.1 Ų149.172%0.72282%0.815SS**  trans-74.4145.6174.9-64.7-30.6000111.9
1207N25.9Very low28.4Very low167 Ų167143.6 Ų143.689%0.89381%0.809SS**  166.7164.2115.6-86.4-25.9000111.6
1208G26.8Very low28.5Very low74 Ų74142.4 Ų142.476%0.76381%0.808SS**  trans120.772.6157.800000116
1209S24.8Very low28.6Very low104 Ų104138.3 Ų138.373%0.72780%0.8SS**  trans-53131.3161.548.90000113.1
1210H27Very low28.6Very low178 Ų178142.7 Ų142.782%0.82480%0.796SS**  168.3111.8120.1-98.2-78000112
1211M26.9Very low28.6Very low179 Ų179142.5 Ų142.588%0.88280%0.795SS**  trans-174.2118.6137.4-111-179.6174.400112.2
1212T29.9Very low28.8Very low152 Ų152148 Ų14893%0.93381%0.808SS**  trans-159.4144.814913.10000105.4
1213D28.9Very low29Very low144 Ų144149.1 Ų149.177%0.7781%0.81SS**  trans-142.2155.9-163.5-148.8-19000111.1
1214I30.6Very low29.2Very low150 Ų150155.1 Ų155.177%0.76982%0.819SS**  trans69.5127.9174.7-53.2173.8000116.1
1215P39Very low29.5Very low122 Ų122150.7 Ų150.779%0.79282%0.816SS**  trans-94.6164.5-177.437.9-36.6000114.5
1216L29.8Very low29.6Very low171 Ų171145.2 Ų145.290%0.89582%0.817SS**  trans-129.7135.8178.4-103.4165.6000114.5
1217A36Very low29.8Very low93 Ų93142.7 Ų142.777%0.76982%0.823SS**  trans8.1128.1165.600000121.6
1218N30.9Very low29.9Very low147 Ų147139.4 Ų139.479%0.78682%0.819SS**  trans-79.7144.5160.8-84.8-61.2000112.2
1219L27.5Very low30.2Very low137 Ų137142.4 Ų142.472%0.71782%0.823SS**  trans39.3134.9135-56.6165.7000118.6
1220K29.6Very low30.5Very low172 Ų172146.4 Ų146.475%0.74883%0.83SS**  cis-175.5159.228.7-138.3164.8-176172.10113
1221S28.9Very low30.5Very low101 Ų101142.9 Ų142.971%0.70683%0.825SS**  trans50.9106.3149.161.80000120.9
1222Y29.8Very low30.9Very low238 Ų238140.5 Ų140.593%0.93382%0.823SS**  trans-82.8148.2140-114.1-108000109.8
1223K31Very low30.9Very low200 Ų200141.2 Ų141.287%0.8781%0.813SS**  trans-87.9136.7175.1-73.2179.1176.91770110.5
1224Q30Very low30.9Very low199 Ų199141.5 Ų141.593%0.9381%0.81SS**  trans-106.4134.8164.3-157.3170.910.400107.6
1225A33.3Very low31.1Very low97 Ų97142.9 Ų142.980%0.80281%0.813SS**  trans-153.2144.5-171.400000112.4
1226G28Very low30.5Very low89 Ų89146.1 Ų146.192%0.91882%0.817SS**  trans82.685.5163.600000115.9
1227G30.5Very low30.7Very low83 Ų83149.8 Ų149.886%0.85684%0.836SS**  trans-169.997.8167.900000109.6
1228A29.4Very low30.4Very low98 Ų98152.6 Ų152.681%0.8184%0.84SS**  trans-129.2121.8-171.300000111.5
1229T32.5Very low30.4Very low137 Ų137152.9 Ų152.984%0.8484%0.843SS**  trans-151114.4163.221.30000109.7
1230E31.2Very low30.5Very low188 Ų188153.8 Ų153.888%0.87985%0.85SS**  trans34.2111.5148.5-58.2-174.9131.900120.1
1231S25.9Very low30.6Very low104 Ų104152.7 Ų152.773%0.72786%0.856SS**  trans-82.7125.4163.455.50000112
1232P35.6Very low30.7Very low129 Ų129155.9 Ų155.984%0.83887%0.865SS**  trans-69.7148.8154.330.8-31.6000109.8
1233K30.8Very low30.8Very low166 Ų166150.5 Ų150.572%0.72286%0.86SS**  trans-108.6167.5178.9-73.8-176.8174.3-177.10111.4
1234E29.5Very low30.7Very low151 Ų151146.9 Ų146.971%0.70686%0.86SS**  trans68.7144.8160-71.3137.2-143.700115.3
1235H34.6Very low30.8Very low178 Ų178142.9 Ų142.982%0.82485%0.854SS**  cis-114.2156.13.4-84-90.3000113
1236Q26Very low30.6Very low191 Ų191146.8 Ų146.889%0.89386%0.859SS**  trans-94.5142.3161.9-65.5-179-85.700110.3
1237L33.4Very low30.8Very low247 Ų247152 Ų152100%1.29385%0.853SS**  trans-146.80140.9-124.7168.9000108

Retrieved 1,237 of 1,237 residues in 957.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).